smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]C1N=NC(=S)S1)c1c(F)c(F)c(F)c(F)c1F ZINC000028524226 202171938 /nfs/dbraw/zinc/17/19/38/202171938.db2.gz GMNZPWFQZYEZQR-UHFFFAOYSA-N -1 3 327.259 2.775 1 0 EFAFHM COc1c(C)c(=O)c2c([O-])c3c(oc-2c1O)[C@@H](O)Oc1ccccc1-3 ZINC000028636760 202173895 /nfs/dbraw/zinc/17/38/95/202173895.db2.gz HHXXBQGRDHVKRB-SFHVURJKSA-N -1 3 342.303 2.572 1 0 EFAFHM COc1c(C)c([O-])c2c(=O)c3c(oc2c1O)[C@@H](O)Oc1ccccc1-3 ZINC000028636760 202173896 /nfs/dbraw/zinc/17/38/96/202173896.db2.gz HHXXBQGRDHVKRB-SFHVURJKSA-N -1 3 342.303 2.572 1 0 EFAFHM CCOC(=O)[C@@]([O-])(c1c(C)[nH]c2ccc(OC)cc21)C(F)(F)F ZINC000071296847 203091141 /nfs/dbraw/zinc/09/11/41/203091141.db2.gz UBGQOSMDRMXMSI-AWEZNQCLSA-N -1 3 331.290 2.798 1 0 EFAFHM CCOC(=O)C=Cc1c(=O)[n-]cnc1Oc1c(OC)cccc1OC ZINC000072176109 203182882 /nfs/dbraw/zinc/18/28/82/203182882.db2.gz CYUCBISIFYYGFM-CMDGGOBGSA-N -1 3 346.339 2.568 1 0 EFAFHM CCOC(=O)C1=C(C)N[C@]([N-]c2nccs2)(C(F)(F)F)C1=O ZINC000100644503 219103369 /nfs/dbraw/zinc/10/33/69/219103369.db2.gz HYPDLVTYLQRSGS-LLVKDONJSA-N -1 3 335.307 2.663 1 0 EFAFHM C[C@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccnc1)N2 ZINC000004162596 210135209 /nfs/dbraw/zinc/13/52/09/210135209.db2.gz CCERWOYYIWFMMU-PXWWUCIGSA-N -1 3 327.306 2.581 1 0 EFAFHM Cc1c([O-])cc(O)c2c1OC[C@H](Cc1ccc3c(c1)OCO3)C2=O ZINC000095912456 290984750 /nfs/dbraw/zinc/98/47/50/290984750.db2.gz NMFZYGXQEMQMHO-NSHDSACASA-N -1 3 328.320 2.569 1 0 biogenic,in-vitro EFAFHM COc1ccc(C(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000035322822 213021869 /nfs/dbraw/zinc/02/18/69/213021869.db2.gz UKNVSIZIZUFCOJ-UHFFFAOYSA-N -1 3 329.747 2.781 1 0 EFAFHM COc1ccc(C(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000035322822 213021872 /nfs/dbraw/zinc/02/18/72/213021872.db2.gz UKNVSIZIZUFCOJ-UHFFFAOYSA-N -1 3 329.747 2.781 1 0 EFAFHM COC(=O)c1cccc(Oc2nc[n-]c(=O)c2-c2cccc(N)c2)c1 ZINC000072176093 216064773 /nfs/dbraw/zinc/06/47/73/216064773.db2.gz AYHCFLMUWKHNBB-UHFFFAOYSA-N -1 3 337.335 2.598 1 0 EFAFHM COc1ccc(-n2cc3nc(C)nc([N-]C(=O)c4ccco4)c3n2)cc1 ZINC000095581825 218440491 /nfs/dbraw/zinc/44/04/91/218440491.db2.gz RBZCJPDUQJXSKB-UHFFFAOYSA-N -1 3 349.350 2.978 1 0 EFAFHM COc1c([O-])c(C)c(O)c2c1OC[C@H](Cc1ccc(O)cc1)C2=O ZINC000034007384 560087668 /nfs/dbraw/zinc/08/76/68/560087668.db2.gz MDFVUCLEMCGDDE-NSHDSACASA-N -1 3 330.336 2.554 1 0 biogenic,in-vitro EFAFHM COc1c([O-])c(C)c(O)c2c1OC[C@@H](Cc1ccc(O)cc1)C2=O ZINC000034007385 560087688 /nfs/dbraw/zinc/08/76/88/560087688.db2.gz MDFVUCLEMCGDDE-LLVKDONJSA-N -1 3 330.336 2.554 1 0 biogenic,in-vitro EFAFHM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCC(=O)N3)cc1C ZINC000064586129 214794987 /nfs/dbraw/zinc/79/49/87/214794987.db2.gz FKNWFZFDFWTAQY-UHFFFAOYSA-N -1 3 346.408 2.744 1 0 EFAFHM CC1(C)Oc2ccc(C(=N)S)cc2C(Oc2ccc(=O)[n-]n2)C1=O ZINC000026658319 212529916 /nfs/dbraw/zinc/52/99/16/212529916.db2.gz UHJVOYZXHXOCLQ-UHFFFAOYSA-N -1 3 345.380 2.914 1 0 EFAFHM O=C1[N-]C(=O)[C@]2(CCOc3c(Cl)cc(-c4ccccc4)cc32)N1 ZINC000026496554 212522335 /nfs/dbraw/zinc/52/23/35/212522335.db2.gz BGBMHFWLXXUTGK-QGZVFWFLSA-N -1 3 328.755 2.824 1 0 EFAFHM FC(F)(F)c1nnc(-c2nc(Cc3cncnc3)c3ccccn32)[n-]1 ZINC000073195578 216362624 /nfs/dbraw/zinc/36/26/24/216362624.db2.gz WVHZOVWSYVTAJO-UHFFFAOYSA-N -1 3 345.288 2.519 1 0 EFAFHM FC(F)(F)c1n[n-]c(-c2nc(Cc3cncnc3)c3ccccn32)n1 ZINC000073195578 216362627 /nfs/dbraw/zinc/36/26/27/216362627.db2.gz WVHZOVWSYVTAJO-UHFFFAOYSA-N -1 3 345.288 2.519 1 0 EFAFHM FC(F)(F)c1nc(-c2nc(Cc3cncnc3)c3ccccn32)n[n-]1 ZINC000073195578 216362629 /nfs/dbraw/zinc/36/26/29/216362629.db2.gz WVHZOVWSYVTAJO-UHFFFAOYSA-N -1 3 345.288 2.519 1 0 EFAFHM COc1cc(C(=O)c2ccc(N(C)C)cc2)c([O-])c(OC)c1OC ZINC000169307675 533560864 /nfs/dbraw/zinc/56/08/64/533560864.db2.gz QRVPEYUMXRSLAA-UHFFFAOYSA-N -1 3 331.368 2.715 1 0 EFAFHM COc1ccc(C[C@@H]2COc3c(C)c([O-])c(C)c(O)c3C2=O)cc1O ZINC000049114094 213989539 /nfs/dbraw/zinc/98/95/39/213989539.db2.gz MDASTXKHFSHPHW-GFCCVEGCSA-N -1 3 344.363 2.863 1 0 biogenic,in-vitro EFAFHM O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000004263884 210156123 /nfs/dbraw/zinc/15/61/23/210156123.db2.gz JENMTPUZLVWREN-VMPITWQZSA-N -1 3 326.739 2.876 3 0 EFAFHM CCCC[C@H](CN([O-])C=O)C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000066101617 215011653 /nfs/dbraw/zinc/01/16/53/215011653.db2.gz YMADTYRFMLHXJV-SJORKVTESA-N -1 3 348.443 2.664 1 0 EFAFHM O=C1CCCC[C@@H]1S(=O)(=O)[N-]c1ccccc1Br ZINC000040875441 213396457 /nfs/dbraw/zinc/39/64/57/213396457.db2.gz XNLQEQHLWFMGRL-LBPRGKRZSA-N -1 3 332.219 2.703 1 0 EFAFHM COc1cc([O-])c2c(c1)OC[C@H](Cc1ccc(O)c(OC)c1)C2=O ZINC000013481889 290980093 /nfs/dbraw/zinc/98/00/93/290980093.db2.gz VSUZMLIEPGKFQG-NSHDSACASA-N -1 3 330.336 2.549 1 0 biogenic,in-vitro EFAFHM O=C(Nc1ccccc1)c1[n-]cnc1C(=O)N1CCc2ccccc2C1 ZINC000036387750 213093359 /nfs/dbraw/zinc/09/33/59/213093359.db2.gz NOKGYHDOAMNIQV-UHFFFAOYSA-N -1 3 346.390 2.861 3 0 EFAFHM O=C(Nc1ccccc1)c1nc[n-]c1C(=O)N1CCc2ccccc2C1 ZINC000036387750 213093362 /nfs/dbraw/zinc/09/33/62/213093362.db2.gz NOKGYHDOAMNIQV-UHFFFAOYSA-N -1 3 346.390 2.861 3 0 EFAFHM CC(C)(C)c1cc(=O)[n-]c(-c2ccccc2CN2CCC[C@@H](O)C2)n1 ZINC000023192040 212360092 /nfs/dbraw/zinc/36/00/92/212360092.db2.gz RMIDCDQTGZSTNW-OAHLLOKOSA-N -1 3 341.455 2.691 1 0 EFAFHM Cc1c(=O)[n-]c(-c2ccc(CN(C)CCO)cc2)nc1C(F)(F)F ZINC000020472413 212134742 /nfs/dbraw/zinc/13/47/42/212134742.db2.gz ZAZDCOYGEDPDES-UHFFFAOYSA-N -1 3 341.333 2.601 1 0 EFAFHM Cc1cccn2c([O-])c(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c(=O)nc12 ZINC000010166606 211151796 /nfs/dbraw/zinc/15/17/96/211151796.db2.gz OOOXPLLPFMHPBB-DGCLKSJQSA-N -1 3 343.427 2.653 3 0 EFAFHM Cc1cccn2c(=O)c(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c([O-])nc12 ZINC000010166606 211151799 /nfs/dbraw/zinc/15/17/99/211151799.db2.gz OOOXPLLPFMHPBB-DGCLKSJQSA-N -1 3 343.427 2.653 3 0 EFAFHM Cc1cccn2c([O-])c(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c(=O)nc12 ZINC000010166607 211151081 /nfs/dbraw/zinc/15/10/81/211151081.db2.gz OOOXPLLPFMHPBB-YPMHNXCESA-N -1 3 343.427 2.653 3 0 EFAFHM Cc1cccn2c(=O)c(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c([O-])nc12 ZINC000010166607 211151083 /nfs/dbraw/zinc/15/10/83/211151083.db2.gz OOOXPLLPFMHPBB-YPMHNXCESA-N -1 3 343.427 2.653 3 0 EFAFHM COP(=O)(OC)C([O-])(c1ccc(F)cc1)P(=O)(OC)OC ZINC000029220651 202183324 /nfs/dbraw/zinc/18/33/24/202183324.db2.gz YZBJUOZKPLOFJT-UHFFFAOYSA-N -1 3 342.196 2.900 1 0 EFAFHM O=C(NC1=NCCS1)c1c[n-]c2c(cccc2C(F)(F)F)c1=O ZINC000029238846 202183348 /nfs/dbraw/zinc/18/33/48/202183348.db2.gz HDKSWXUIEYLWBA-UHFFFAOYSA-N -1 3 341.314 2.792 1 0 EFAFHM O=C(NC1=NCCS1)c1cnc2c(cccc2C(F)(F)F)c1[O-] ZINC000029238846 202183352 /nfs/dbraw/zinc/18/33/52/202183352.db2.gz HDKSWXUIEYLWBA-UHFFFAOYSA-N -1 3 341.314 2.792 1 0 EFAFHM COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1[O-] ZINC000072123129 203164119 /nfs/dbraw/zinc/16/41/19/203164119.db2.gz ZMUXXASJPLXNAO-UHFFFAOYSA-N -1 3 348.351 2.666 1 0 EFAFHM O=C(C=Cc1ccc2c(c1)COC2)Nc1nc(-c2ccccc2)n[n-]1 ZINC000073161618 203259163 /nfs/dbraw/zinc/25/91/63/203259163.db2.gz OYFMVYYSNICHCO-VQHVLOKHSA-N -1 3 332.363 2.576 1 0 EFAFHM CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2[O-])c1NC(C)=O ZINC000073224076 203260891 /nfs/dbraw/zinc/26/08/91/203260891.db2.gz KBNLPGKGXMPKID-UHFFFAOYSA-N -1 3 347.371 2.584 1 0 EFAFHM COc1cc(=O)c2c([O-])c(-c3cccc(O)c3OC)coc-2c1O ZINC000014645888 560223796 /nfs/dbraw/zinc/22/37/96/560223796.db2.gz YWXPBUCOUVZMST-UHFFFAOYSA-N -1 3 330.292 2.594 1 0 biogenic,in-vitro EFAFHM O=C(NCc1ccccc1)c1nc[n-]c1C(=O)Nc1ccccc1F ZINC000061922876 214686575 /nfs/dbraw/zinc/68/65/75/214686575.db2.gz BFFXTGAKLWTERJ-UHFFFAOYSA-N -1 3 338.342 2.731 3 0 EFAFHM O=C(NCc1ccccc1)c1[n-]cnc1C(=O)Nc1ccccc1F ZINC000061922876 214686577 /nfs/dbraw/zinc/68/65/77/214686577.db2.gz BFFXTGAKLWTERJ-UHFFFAOYSA-N -1 3 338.342 2.731 3 0 EFAFHM O=C(Cn1ncc2c3ccccc3nc-2c1[O-])NCCc1ccccc1 ZINC000101786912 219164394 /nfs/dbraw/zinc/16/43/94/219164394.db2.gz DOUCPSDIUJKABQ-UHFFFAOYSA-N -1 3 346.390 2.601 1 0 EFAFHM COc1c([O-])cc(-c2nn(C)/c(=N/C3CCCCC3)s2)cc1O ZINC000003972539 210096475 /nfs/dbraw/zinc/09/64/75/210096475.db2.gz UZDBDDOQDGKSBO-MSUUIHNZSA-N -1 3 335.429 2.802 1 0 EFAFHM C[C@@H]1C[C@H](C)CN(C(=O)Cn2ncc3c4ccccc4nc-3c2[O-])C1 ZINC000102642192 219217259 /nfs/dbraw/zinc/21/72/59/219217259.db2.gz JRXZBKVRWAGTSX-BETUJISGSA-N -1 3 338.411 2.746 1 0 EFAFHM C[C@H]1C[C@H](C)CN(C(=O)Cn2ncc3c4ccccc4nc-3c2[O-])C1 ZINC000102642196 219217329 /nfs/dbraw/zinc/21/73/29/219217329.db2.gz JRXZBKVRWAGTSX-STQMWFEESA-N -1 3 338.411 2.746 1 0 EFAFHM CNC(=O)c1ncc(-c2ccc(OC)cc2)c(-c2ccccc2[O-])n1 ZINC000040879199 213396879 /nfs/dbraw/zinc/39/68/79/213396879.db2.gz GYNYQZVIEPWQCY-UHFFFAOYSA-N -1 3 335.363 2.884 1 0 EFAFHM COC(=O)c1c(=O)c2cc(OC)ccc2oc1-c1ccc([O-])cc1 ZINC000013820368 211645879 /nfs/dbraw/zinc/64/58/79/211645879.db2.gz KEWGKHGVGNORRO-UHFFFAOYSA-N -1 3 326.304 2.961 1 0 EFAFHM COc1ccc(C[C@H]2COc3c(C)c([O-])c(C)c(O)c3C2=O)c(O)c1 ZINC000049112086 560084213 /nfs/dbraw/zinc/08/42/13/560084213.db2.gz YVHOGEZRSOFSOD-LBPRGKRZSA-N -1 3 344.363 2.863 1 0 biogenic,in-vitro EFAFHM CCOC(=O)c1ccc(-n2c([O-])c3ncnc-3c3cccnc32)cc1 ZINC000100927329 219111659 /nfs/dbraw/zinc/11/16/59/219111659.db2.gz MLNKIMBTUWYCTC-UHFFFAOYSA-N -1 3 334.335 2.803 1 0 EFAFHM CCOC(=O)c1ccc(-n2c(=O)c3[n-]cnc3c3cccnc32)cc1 ZINC000100927329 219111661 /nfs/dbraw/zinc/11/16/61/219111661.db2.gz MLNKIMBTUWYCTC-UHFFFAOYSA-N -1 3 334.335 2.803 1 0 EFAFHM CCOC(=O)c1ccc(-n2c(=O)c3nc[n-]c3c3cccnc32)cc1 ZINC000100927329 219111662 /nfs/dbraw/zinc/11/16/62/219111662.db2.gz MLNKIMBTUWYCTC-UHFFFAOYSA-N -1 3 334.335 2.803 1 0 EFAFHM COc1cc([O-])c2c(c1)OC[C@H](Cc1ccc(OC)c(O)c1)C2=O ZINC000013481894 290980110 /nfs/dbraw/zinc/98/01/10/290980110.db2.gz JDQDQIHZLJEZRM-NSHDSACASA-N -1 3 330.336 2.549 1 0 biogenic,in-vitro EFAFHM CC(C)N(C[C@](C)(O)c1ccccc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000072126099 216018002 /nfs/dbraw/zinc/01/80/02/216018002.db2.gz CMKSCKCUAREBBC-SFHVURJKSA-N -1 3 349.452 2.699 1 0 EFAFHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCNC3=O)cc2)c(C)c1 ZINC000073065192 216345844 /nfs/dbraw/zinc/34/58/44/216345844.db2.gz ITHDTIFHHFCYSM-UHFFFAOYSA-N -1 3 345.424 2.634 1 0 EFAFHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)c1ccc(=O)[n-]n1 ZINC000011536184 211220944 /nfs/dbraw/zinc/22/09/44/211220944.db2.gz JOGGJDKLNQCAQJ-UHFFFAOYSA-N -1 3 340.813 2.779 1 0 EFAFHM COc1ccc2c(c1)[C@H]1C[C@](C)(NC(=O)C1=C([O-])c1ccccc1)O2 ZINC000007991349 277993317 /nfs/dbraw/zinc/99/33/17/277993317.db2.gz RLOAOVWZVUHPEY-OXFYSEKESA-N -1 3 337.375 2.906 1 0 EFAFHM COc1cc(C[C@H]2COc3c(C)c([O-])c(C)c(O)c3C2=O)ccc1O ZINC000013481898 560217346 /nfs/dbraw/zinc/21/73/46/560217346.db2.gz DPWJUIYOIZDQPQ-LBPRGKRZSA-N -1 3 344.363 2.863 1 0 biogenic,in-vitro EFAFHM COc1ccc(-c2coc3c([O-])c(OC)c(OC)cc3c2=O)cc1O ZINC000014646143 560223758 /nfs/dbraw/zinc/22/37/58/560223758.db2.gz CFAKQDITHIYGEK-UHFFFAOYSA-N -1 3 344.319 2.897 1 0 in-vitro EFAFHM O=C1[N-]C(=O)c2c1c1c(cc2-c2cccnc2)[nH]c2ccc(O)cc21 ZINC000034804062 581098155 /nfs/dbraw/zinc/09/81/55/581098155.db2.gz CDCUQSKHGUQLSL-UHFFFAOYSA-N -1 3 329.315 2.972 1 0 EFAFHM CC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000040977643 1099975034 /nfs/dbraw/zinc/97/50/34/1099975034.db2.gz RPECMCJZLYVNSQ-WCBMZHEXSA-N -1 3 326.245 2.679 1 0 EFAFHM C[C@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccnc1)N2 ZINC000004162593 210134909 /nfs/dbraw/zinc/13/49/09/210134909.db2.gz CCERWOYYIWFMMU-DRCTWCGVSA-N -1 3 327.306 2.581 1 0 EFAFHM CCCC[C@H](CN([O-])C=O)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000066102388 215011491 /nfs/dbraw/zinc/01/14/91/215011491.db2.gz MSIVDKFUBKQNNI-KGLIPLIRSA-N -1 3 344.452 2.759 1 0 EFAFHM O=C(c1c([O-])ccc2cc(-c3cccc(O)c3)ccc21)N1CCNCC1 ZINC000040875354 213396169 /nfs/dbraw/zinc/39/61/69/213396169.db2.gz VDNQZYGYULKQRK-UHFFFAOYSA-N -1 3 348.402 2.963 1 0 EFAFHM CC(C)N(C[C@@](C)(O)c1ccccc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000072126100 216018230 /nfs/dbraw/zinc/01/82/30/216018230.db2.gz CMKSCKCUAREBBC-GOSISDBHSA-N -1 3 349.452 2.699 1 0 EFAFHM O=c1cc(Cc2c(F)cccc2N2CCCC2)nc(N2CCCC2)[n-]1 ZINC000028866059 212641150 /nfs/dbraw/zinc/64/11/50/212641150.db2.gz SRJVBYORAKEGOX-UHFFFAOYSA-N -1 3 342.418 2.700 1 0 EFAFHM O=C([O-])C1(n2cccn2)CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000072419141 216207573 /nfs/dbraw/zinc/20/75/73/216207573.db2.gz YNMQERJUWAPOEG-HNQUOIGGSA-N -1 3 329.375 2.611 1 0 EFAFHM Cc1csc2ncnc(N3CCC[C@@H](c4cc(=O)[n-]c(C)n4)C3)c12 ZINC000023505139 293079989 /nfs/dbraw/zinc/07/99/89/293079989.db2.gz RDMDQCTUVOPRAU-GFCCVEGCSA-N -1 3 341.440 2.775 1 0 EFAFHM COc1cc2oc(-c3cc(O)ccc3O)cc([O-])c-2c(=O)c1OC ZINC000069482338 560078355 /nfs/dbraw/zinc/07/83/55/560078355.db2.gz OVLZEMCEQGMCNV-UHFFFAOYSA-N -1 3 330.292 2.594 1 0 biogenic,in-vitro EFAFHM COc1ccc(C[C@H]2COc3c(C)c([O-])c(C)c(O)c3C2=O)cc1O ZINC000049114097 560084204 /nfs/dbraw/zinc/08/42/04/560084204.db2.gz MDASTXKHFSHPHW-LBPRGKRZSA-N -1 3 344.363 2.863 1 0 biogenic,in-vitro 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CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1 ZINC000072109717 203163026 /nfs/dbraw/zinc/16/30/26/203163026.db2.gz GWUSPTNWHNHQKA-AWEZNQCLSA-N -1 3 348.815 2.889 1 0 EFAFHM O=c1[n-]c2c(cccc2OS(=O)(=O)c2ccccc2Cl)o1 ZINC000095603642 203766286 /nfs/dbraw/zinc/76/62/86/203766286.db2.gz LAERRBBBWVWVJV-UHFFFAOYSA-N -1 3 325.729 2.542 1 0 EFAFHM Cc1csc2ncnc(N3CCC[C@H](c4cc(=O)[n-]c(C)n4)C3)c12 ZINC000023505142 293080417 /nfs/dbraw/zinc/08/04/17/293080417.db2.gz RDMDQCTUVOPRAU-LBPRGKRZSA-N -1 3 341.440 2.775 1 0 EFAFHM COc1ccc(C[C@H]2COc3c(C)c([O-])c(OC)c(O)c3C2=O)cc1 ZINC000085644244 560067323 /nfs/dbraw/zinc/06/73/23/560067323.db2.gz GHRNGWWXNYCCBH-LBPRGKRZSA-N -1 3 344.363 2.857 1 0 biogenic,in-vitro EFAFHM Cc1cnc(N=C([O-])C2c3cc(C)ccc3C(=O)N(C)C2=O)s1 ZINC000100995774 219113875 /nfs/dbraw/zinc/11/38/75/219113875.db2.gz FZPRVXWMRCHNCF-OUKQBFOZSA-N -1 3 329.381 2.711 1 0 EFAFHM CCCC[C@H](CN([O-])C=O)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000066099594 215010591 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