smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(-c3cc(Cl)c([O-])c(Cl)c3)sc2c1 ZINC000000570146 563631341 /nfs/dbraw/zinc/63/13/41/563631341.db2.gz BEHDFRBIKJVNGX-UHFFFAOYSA-N -1 0 310.205 5.284 40 0 DKABRM O=C([O-])C[C@@H]1c2ccc3ccccc3c2CC[C@@H]1c1ccccc1 ZINC000001599982 563287530 /nfs/dbraw/zinc/28/75/30/563287530.db2.gz MDNNIXBDLRFUEB-NQIIRXRSSA-N -1 0 316.400 5.128 40 0 DKABRM O=C([O-])C[C@@H]1c2ccc3ccccc3c2CC[C@H]1c1ccccc1 ZINC000001599983 563287467 /nfs/dbraw/zinc/28/74/67/563287467.db2.gz MDNNIXBDLRFUEB-RXVVDRJESA-N -1 0 316.400 5.128 40 0 DKABRM O=C([O-])C[C@H]1c2ccc3ccccc3c2CC[C@@H]1c1ccccc1 ZINC000001599984 563287602 /nfs/dbraw/zinc/28/76/02/563287602.db2.gz MDNNIXBDLRFUEB-WIYYLYMNSA-N -1 0 316.400 5.128 40 0 DKABRM O=C([O-])C[C@H]1c2ccc3ccccc3c2CC[C@H]1c1ccccc1 ZINC000001599985 180877906 /nfs/dbraw/zinc/87/79/06/180877906.db2.gz MDNNIXBDLRFUEB-GHTZIAJQSA-N -1 0 316.400 5.128 40 0 DKABRM O=C([O-])CCCCCCCCCCOc1ccc(Cl)cc1 ZINC000001600682 563287418 /nfs/dbraw/zinc/28/74/18/563287418.db2.gz PIPXCMFVZPDALH-UHFFFAOYSA-N -1 0 312.837 5.314 40 0 DKABRM CC(C)c1ccc(Sc2ccc(C(C)C)cc2O)c([O-])c1 ZINC000001671482 563290632 /nfs/dbraw/zinc/29/06/32/563290632.db2.gz KHNRJDYYTUPJHR-UHFFFAOYSA-N -1 0 302.439 5.496 40 0 DKABRM CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1 ZINC000001697090 563789061 /nfs/dbraw/zinc/78/90/61/563789061.db2.gz RSWGJHLUYNHPMX-HNBVOPMISA-N -1 0 302.458 5.206 40 0 in-vitro DKABRM CCO[P@](=O)([O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002388349 563303754 /nfs/dbraw/zinc/30/37/54/563303754.db2.gz PVVNQNVZLQBXST-UHFFFAOYSA-N -1 0 312.390 5.004 40 0 DKABRM Cc1cccc2c(C(=O)[O-])cc(-c3cccc4ccccc43)nc12 ZINC000002525908 180931834 /nfs/dbraw/zinc/93/18/34/180931834.db2.gz AINBCRZMJGYKEP-UHFFFAOYSA-N -1 0 313.356 5.062 40 0 DKABRM CC(C)(C)Cc1ccc(OCCCC(=O)[O-])c(CC(C)(C)C)c1 ZINC000003122296 563624946 /nfs/dbraw/zinc/62/49/46/563624946.db2.gz IIUKMJRZSNCGJK-UHFFFAOYSA-N -1 0 320.473 5.107 40 0 DKABRM Cc1ccc2c(c1C)CC[C@@H]1[C@@H]2CC=C2C[C@@H](C(=O)[O-])CC[C@@]21C ZINC000003846819 181049321 /nfs/dbraw/zinc/04/93/21/181049321.db2.gz UCINWPUBLZMXTQ-JIZZLUJTSA-N -1 0 324.464 5.171 40 0 DKABRM Cc1ccc2c(c1C)CC[C@H]1[C@@H]2CC=C2C[C@@H](C(=O)[O-])CC[C@@]21C ZINC000003846820 181049059 /nfs/dbraw/zinc/04/90/59/181049059.db2.gz UCINWPUBLZMXTQ-RDAFOJIHSA-N -1 0 324.464 5.171 40 0 DKABRM Cc1ccc2c(c1C)CC[C@@H]1[C@H]2CC=C2C[C@@H](C(=O)[O-])CC[C@@]21C ZINC000003846821 181048871 /nfs/dbraw/zinc/04/88/71/181048871.db2.gz UCINWPUBLZMXTQ-KJLVNVKXSA-N -1 0 324.464 5.171 40 0 DKABRM Cc1ccc2c(c1C)CC[C@H]1[C@H]2CC=C2C[C@@H](C(=O)[O-])CC[C@@]21C ZINC000003846822 181049343 /nfs/dbraw/zinc/04/93/43/181049343.db2.gz UCINWPUBLZMXTQ-CUBKBFNLSA-N -1 0 324.464 5.171 40 0 DKABRM CCCCC[C@H](O)/C=C/C=C/CCCCCCCCCC(=O)[O-] ZINC000003870616 181050983 /nfs/dbraw/zinc/05/09/83/181050983.db2.gz ZTRWPEHMGCHTIT-GCYCGEEZSA-N -1 0 324.505 5.636 40 0 DKABRM CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)[O-] ZINC000003872430 181051053 /nfs/dbraw/zinc/05/10/53/181051053.db2.gz XSXIVVZCUAHUJO-AVQMFFATSA-N -1 0 308.506 6.665 40 0 DKABRM CC(C)C1=CC[C@H]2C(=C1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000003875511 181051289 /nfs/dbraw/zinc/05/12/89/181051289.db2.gz RWWVEQKPFPXLGL-ONCXSQPRSA-N -1 0 302.458 5.206 40 0 biogenic,in-vitro DKABRM CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000003875512 181051485 /nfs/dbraw/zinc/05/14/85/181051485.db2.gz RWWVEQKPFPXLGL-RAUXBKROSA-N -1 0 302.458 5.206 40 0 biogenic,in-vitro DKABRM CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@@]3(C)[C@@H]2CC1 ZINC000003947442 181058717 /nfs/dbraw/zinc/05/87/17/181058717.db2.gz RSWGJHLUYNHPMX-IZBJGVDFSA-N -1 0 302.458 5.206 40 0 in-vitro DKABRM CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C(=O)[O-])[C@H]2CC1 ZINC000003978743 181059435 /nfs/dbraw/zinc/05/94/35/181059435.db2.gz RSWGJHLUYNHPMX-XEYPJELSSA-N -1 0 302.458 5.206 40 0 in-vitro DKABRM CCCC[C@@H](O)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000003982574 181059614 /nfs/dbraw/zinc/05/96/14/181059614.db2.gz JEKNPVYFNMZRJG-STHMYGMFSA-N -1 0 320.473 5.188 40 0 endogenous,in-man DKABRM CC(C)C1=CC[C@@H]2C(=C1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]12C ZINC000004027027 181063290 /nfs/dbraw/zinc/06/32/90/181063290.db2.gz RWWVEQKPFPXLGL-HNBVOPMISA-N -1 0 302.458 5.206 40 0 biogenic DKABRM CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)[O-] ZINC000004095676 181072466 /nfs/dbraw/zinc/07/24/66/181072466.db2.gz RLCKHJSFHOZMDR-GUDVDZBRSA-N -1 0 312.538 6.536 40 0 endogenous,in-man DKABRM CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)[O-] ZINC000004095678 181072872 /nfs/dbraw/zinc/07/28/72/181072872.db2.gz RLCKHJSFHOZMDR-CEXWTWQISA-N -1 0 312.538 6.536 40 0 endogenous,in-man DKABRM O=C([O-])/C=C/c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 ZINC000004294428 181093589 /nfs/dbraw/zinc/09/35/89/181093589.db2.gz QLJXLWLWEVTNCW-DUXPYHPUSA-N -1 0 317.555 5.005 40 0 DKABRM CC[C@@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1 ZINC000004403820 181107525 /nfs/dbraw/zinc/10/75/25/181107525.db2.gz BOZVXNYLOGJCKG-YKXHTNLXSA-N -1 0 304.474 5.430 40 0 DKABRM CC[C@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1 ZINC000004403821 181107596 /nfs/dbraw/zinc/10/75/96/181107596.db2.gz BOZVXNYLOGJCKG-SCQOQHIRSA-N -1 0 304.474 5.430 40 0 DKABRM CC[C@@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1 ZINC000004403822 181107551 /nfs/dbraw/zinc/10/75/51/181107551.db2.gz BOZVXNYLOGJCKG-APQLOABGSA-N -1 0 304.474 5.430 40 0 DKABRM CC[C@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1 ZINC000004403823 181107470 /nfs/dbraw/zinc/10/74/70/181107470.db2.gz BOZVXNYLOGJCKG-KRFUXDQASA-N -1 0 304.474 5.430 40 0 DKABRM CC(C)[C@@H]1CC[C@@H]2[C@H](CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C1 ZINC000004403861 181107139 /nfs/dbraw/zinc/10/71/39/181107139.db2.gz YPGLTKHJEQHKSS-ZLDOSZBNSA-N -1 0 306.490 5.366 40 0 DKABRM CC(C)[C@H]1CC[C@@H]2[C@H](CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C1 ZINC000004403862 181107518 /nfs/dbraw/zinc/10/75/18/181107518.db2.gz YPGLTKHJEQHKSS-CETRPMQOSA-N -1 0 306.490 5.366 40 0 DKABRM CC(C)[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@@]32C)C1 ZINC000004403863 181107718 /nfs/dbraw/zinc/10/77/18/181107718.db2.gz YPGLTKHJEQHKSS-WGEZERDCSA-N -1 0 306.490 5.366 40 0 DKABRM CC(C)[C@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@@]32C)C1 ZINC000004403864 181107733 /nfs/dbraw/zinc/10/77/33/181107733.db2.gz YPGLTKHJEQHKSS-STBDEUKGSA-N -1 0 306.490 5.366 40 0 DKABRM CC(C)=C1C=C2CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1 ZINC000004404484 181107189 /nfs/dbraw/zinc/10/71/89/181107189.db2.gz KGMSWPSAVZAMKR-HNBVOPMISA-N -1 0 302.458 5.350 40 0 DKABRM CC(C)=C1C=C2CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1 ZINC000004404485 181107142 /nfs/dbraw/zinc/10/71/42/181107142.db2.gz KGMSWPSAVZAMKR-PIKOESSRSA-N -1 0 302.458 5.350 40 0 DKABRM O=C([O-])CCCCCCCCCCSCc1ccccc1 ZINC000004429799 181109337 /nfs/dbraw/zinc/10/93/37/181109337.db2.gz SVCWRQUTOZJFFP-UHFFFAOYSA-N -1 0 308.487 5.515 40 0 DKABRM CC(C)C1=CC2=CC[C@@H]3[C@@](C)(C(=O)[O-])CCC[C@@]3(C)[C@@H]2CC1 ZINC000004534088 181120810 /nfs/dbraw/zinc/12/08/10/181120810.db2.gz RSWGJHLUYNHPMX-UMGGQSCQSA-N -1 0 302.458 5.206 40 0 DKABRM CCCCC/C=C/C/C=C/C[C@H]1O[C@H]1C/C=C/CCCC(=O)[O-] ZINC000004544302 181122694 /nfs/dbraw/zinc/12/26/94/181122694.db2.gz DBWQSCSXHFNTMO-DWCISJCFSA-N -1 0 320.473 5.428 40 0 DKABRM CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)[O-] ZINC000004546334 181123284 /nfs/dbraw/zinc/12/32/84/181123284.db2.gz KGIJOOYOSFUGPC-CABOLEKPSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)[O-] ZINC000004546338 181123200 /nfs/dbraw/zinc/12/32/00/181123200.db2.gz KGIJOOYOSFUGPC-JGKLHWIESA-N -1 0 320.473 5.188 40 0 endogenous,in-man DKABRM CCCCC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004546379 181123092 /nfs/dbraw/zinc/12/30/92/181123092.db2.gz JSFATNQSLKRBCI-UDQWCNDOSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004546442 181123254 /nfs/dbraw/zinc/12/32/54/181123254.db2.gz ZNHVWPKMFKADKW-ZYBDYUKJSA-N -1 0 320.473 5.188 40 0 in-man DKABRM C[C@H](O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004655387 181132484 /nfs/dbraw/zinc/13/24/84/181132484.db2.gz XFUXZHQUWPFWPR-DZBJBCEBSA-N -1 0 320.473 5.188 40 0 endogenous,in-man DKABRM C[C@@H](O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004655388 181132819 /nfs/dbraw/zinc/13/28/19/181132819.db2.gz XFUXZHQUWPFWPR-PCYSVGMOSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1CCCC(=O)[O-] ZINC000004655402 181132945 /nfs/dbraw/zinc/13/29/45/181132945.db2.gz VBQNSZQZRAGRIX-GSKBNKFLSA-N -1 0 320.473 5.428 40 0 endogenous,in-man DKABRM CCCCC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\CCCC(=O)[O-] ZINC000004655404 181132771 /nfs/dbraw/zinc/13/27/71/181132771.db2.gz DBWQSCSXHFNTMO-ZZMPYBMWSA-N -1 0 320.473 5.428 40 0 endogenous,in-man DKABRM CCCCC/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004655408 181132774 /nfs/dbraw/zinc/13/27/74/181132774.db2.gz DXOYQVHGIODESM-LZXKBWHHSA-N -1 0 320.473 5.428 40 0 in-vitro DKABRM CC(C)[C@H]1C=C2CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1 ZINC000004684255 181136402 /nfs/dbraw/zinc/13/64/02/181136402.db2.gz BTAURFWABMSODR-SUPRNMTFSA-N -1 0 304.474 5.286 40 0 DKABRM CC(C)[C@@H]1C=C2CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1 ZINC000004684257 181136502 /nfs/dbraw/zinc/13/65/02/181136502.db2.gz BTAURFWABMSODR-UXANRKEVSA-N -1 0 304.474 5.286 40 0 DKABRM CC(C)[C@H]1C=C2CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1 ZINC000004684258 181136424 /nfs/dbraw/zinc/13/64/24/181136424.db2.gz BTAURFWABMSODR-NZODBCNPSA-N -1 0 304.474 5.286 40 0 in-vitro DKABRM CC(C)[C@@H]1C=C2CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1 ZINC000004684259 181136591 /nfs/dbraw/zinc/13/65/91/181136591.db2.gz BTAURFWABMSODR-TWRRNRRFSA-N -1 0 304.474 5.286 40 0 DKABRM O=C([O-])/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000005162393 181211833 /nfs/dbraw/zinc/21/18/33/181211833.db2.gz TUXUJVDBDXGHMS-DTQAZKPQSA-N -1 0 315.372 5.254 40 0 DKABRM C[C@@H](CCCCCCCCCCC(=O)c1ccccc1)C(=O)[O-] ZINC000005368216 181235277 /nfs/dbraw/zinc/23/52/77/181235277.db2.gz DJNKLTGXHWPZKA-KRWDZBQOSA-N -1 0 318.457 5.491 40 0 DKABRM C[C@H](CCCCCCCCCCC(=O)c1ccccc1)C(=O)[O-] ZINC000005370856 181234979 /nfs/dbraw/zinc/23/49/79/181234979.db2.gz DJNKLTGXHWPZKA-QGZVFWFLSA-N -1 0 318.457 5.491 40 0 DKABRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C/C(C)=C\C(=O)[O-] ZINC000005456939 181245681 /nfs/dbraw/zinc/24/56/81/181245681.db2.gz SHGAZHPCJJPHSC-SMMNRBFNSA-N -1 0 300.442 5.603 40 0 fda DKABRM CCCCC/C=C/C/C=C/C/C=C\CCCCCCC(=O)[O-] ZINC000005510396 181251265 /nfs/dbraw/zinc/25/12/65/181251265.db2.gz HOBAELRKJCKHQD-RNCOHGIQSA-N -1 0 306.490 6.441 40 0 in-vitro DKABRM CCCCC/C=C/C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-] ZINC000005510499 181251479 /nfs/dbraw/zinc/25/14/79/181251479.db2.gz ZNHVWPKMFKADKW-DDMVFLPESA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCC[C@H](CC)CO[P@@](=O)([O-])C[C@@H](CC)CCCC ZINC000005647190 181268132 /nfs/dbraw/zinc/26/81/32/181268132.db2.gz ZDFBXXSHBTVQMB-HOTGVXAUSA-N -1 0 306.427 5.621 40 0 DKABRM O=C([O-])[C@@H](c1ccccc1)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000005707459 181275787 /nfs/dbraw/zinc/27/57/87/181275787.db2.gz NBIUKSZVUJVMSR-QRVBRYPASA-N -1 0 300.442 5.242 40 0 DKABRM O=C([O-])[C@H](c1ccccc1)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000005707460 181275514 /nfs/dbraw/zinc/27/55/14/181275514.db2.gz NBIUKSZVUJVMSR-GUDVDZBRSA-N -1 0 300.442 5.242 40 0 DKABRM O=C([O-])[C@@H](c1ccccc1)[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000005707461 181275195 /nfs/dbraw/zinc/27/51/95/181275195.db2.gz NBIUKSZVUJVMSR-QYZOEREBSA-N -1 0 300.442 5.242 40 0 DKABRM O=C([O-])[C@H](c1ccccc1)[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000005707462 181275340 /nfs/dbraw/zinc/27/53/40/181275340.db2.gz NBIUKSZVUJVMSR-CEXWTWQISA-N -1 0 300.442 5.242 40 0 DKABRM CC(C)SC(=S)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC000005732967 181278736 /nfs/dbraw/zinc/27/87/36/181278736.db2.gz JIUAJLIOEGENLK-UHFFFAOYSA-N -1 0 314.690 5.485 40 0 DKABRM CCC[C@H](F)CCCCCCCSCCCCC(=O)[O-] ZINC000005838570 181288431 /nfs/dbraw/zinc/28/84/31/181288431.db2.gz WZMTZBLNUCAEPM-HNNXBMFYSA-N -1 0 306.487 5.453 40 0 DKABRM CCC[C@@H](F)CCCCCCCSCCCCC(=O)[O-] ZINC000005841999 181288437 /nfs/dbraw/zinc/28/84/37/181288437.db2.gz WZMTZBLNUCAEPM-OAHLLOKOSA-N -1 0 306.487 5.453 40 0 DKABRM CCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)[O-] ZINC000005972968 181302663 /nfs/dbraw/zinc/30/26/63/181302663.db2.gz PRHHYVQTPBEDFE-URZBRJKDSA-N -1 0 306.490 6.441 40 0 biogenic,in-vitro DKABRM CCCCC/C=C\CCCC/C=C\CCCCCCC(=O)[O-] ZINC000005972969 181303034 /nfs/dbraw/zinc/30/30/34/181303034.db2.gz DONHHCGFNMNGPH-ASZCUJMBSA-N -1 0 308.506 6.665 40 0 biogenic,in-vitro DKABRM CCCCC/C=C/C/C=C/C=C\[C@@H](O)C/C=C\CCCC(=O)[O-] ZINC000005978022 563921319 /nfs/dbraw/zinc/92/13/19/563921319.db2.gz NLUNAYAEIJYXRB-XQICFUDJSA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC[C@@H](O)/C=C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000005978211 181302742 /nfs/dbraw/zinc/30/27/42/181302742.db2.gz JSFATNQSLKRBCI-ZSTDVMPISA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C/C/C=C\CCCC(=O)[O-] ZINC000005978231 181302727 /nfs/dbraw/zinc/30/27/27/181302727.db2.gz JBSCUHKPLGKXKH-ATKUIAAPSA-N -1 0 320.473 5.428 40 0 DKABRM O=C1c2ccccc2S/C1=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000006496332 563921520 /nfs/dbraw/zinc/92/15/20/563921520.db2.gz BNMZDWRQQMULQK-NTUHNPAUSA-N -1 0 323.200 5.029 40 0 DKABRM Fc1cccc([N-]C(=S)SCc2ccc(Cl)cc2)c1 ZINC000006511664 563332583 /nfs/dbraw/zinc/33/25/83/563332583.db2.gz IRGFKHWNMIBMPL-UHFFFAOYSA-N -1 0 311.834 5.109 40 0 DKABRM CC(C)C1=CC[C@@H]2C(=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@@]32C)C1 ZINC000006762148 181384549 /nfs/dbraw/zinc/38/45/49/181384549.db2.gz DSDBOHXSFSNRFF-HNBVOPMISA-N -1 0 302.458 5.206 40 0 DKABRM CC(C)C1=CC[C@@H]2C(=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C1 ZINC000006762150 181384808 /nfs/dbraw/zinc/38/48/08/181384808.db2.gz DSDBOHXSFSNRFF-PIKOESSRSA-N -1 0 302.458 5.206 40 0 DKABRM CC(C)C1=CC[C@H]2C(=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C1 ZINC000006762151 181384648 /nfs/dbraw/zinc/38/46/48/181384648.db2.gz DSDBOHXSFSNRFF-ONCXSQPRSA-N -1 0 302.458 5.206 40 0 DKABRM CC(C)C1=CC[C@H]2C(=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C1 ZINC000006762152 181384351 /nfs/dbraw/zinc/38/43/51/181384351.db2.gz DSDBOHXSFSNRFF-RAUXBKROSA-N -1 0 302.458 5.206 40 0 DKABRM O=C([O-])c1ccccc1SC(c1ccccc1)c1ccccc1 ZINC000006927306 563335330 /nfs/dbraw/zinc/33/53/30/563335330.db2.gz BMRTWQMHQWWXTG-UHFFFAOYSA-N -1 0 320.413 5.267 40 0 DKABRM CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@@]3(C)[C@H]2CC1 ZINC000008603303 563347867 /nfs/dbraw/zinc/34/78/67/563347867.db2.gz RSWGJHLUYNHPMX-KVPLUYHFSA-N -1 0 302.458 5.206 40 0 in-vitro DKABRM CCCCC[C@H](O)/C=C/C=C\CCCCCCCCCC(=O)[O-] ZINC000008860435 563350350 /nfs/dbraw/zinc/35/03/50/563350350.db2.gz ZTRWPEHMGCHTIT-XMSPSUPSSA-N -1 0 324.505 5.636 40 0 in-vitro DKABRM CCCCC[C@H](O)/C=C/C=C\C/C=C\CCCCCCC(=O)[O-] ZINC000008860439 563350835 /nfs/dbraw/zinc/35/08/35/563350835.db2.gz IUKXMNDGTWTNTP-OAHXIXLCSA-N -1 0 322.489 5.412 40 0 endogenous,in-man DKABRM CC(/C=C/C1=C(C)CCCC1(C)C)=C/C=C\C(C)=C/C(=O)[O-] ZINC000009212654 563917017 /nfs/dbraw/zinc/91/70/17/563917017.db2.gz SHGAZHPCJJPHSC-VSHCGPOTSA-N -1 0 300.442 5.603 40 0 fda DKABRM CC(=C\C=C/C(C)=C\C(=O)[O-])/C=C\C1=C(C)CCCC1(C)C ZINC000009302201 568421908 /nfs/dbraw/zinc/42/19/08/568421908.db2.gz SHGAZHPCJJPHSC-QXYMLJMRSA-N -1 0 300.442 5.603 40 0 fda DKABRM CC(/C=C\C1=C(C)CCCC1(C)C)=C/C=C\C(C)=C/C(=O)[O-] ZINC000012484958 563928813 /nfs/dbraw/zinc/92/88/13/563928813.db2.gz SHGAZHPCJJPHSC-HUHGIDTOSA-N -1 0 300.442 5.603 40 0 fda DKABRM CCCCC[C@@H](O)/C=C/C=C/C/C=C/C/C=C/CCCC(=O)[O-] ZINC000012495497 563370988 /nfs/dbraw/zinc/37/09/88/563370988.db2.gz JSFATNQSLKRBCI-UJCHVFFKSA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC[C@H](O)/C=C/C=C/C/C=C/C/C=C/CCCC(=O)[O-] ZINC000012495502 563838765 /nfs/dbraw/zinc/83/87/65/563838765.db2.gz JSFATNQSLKRBCI-IXNHTQMRSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C\C/C=C\CCCCCCC(=O)[O-] ZINC000012496042 181767840 /nfs/dbraw/zinc/76/78/40/181767840.db2.gz HOBAELRKJCKHQD-SAAUORLLSA-N -1 0 306.490 6.441 40 0 in-vitro DKABRM CCCC[C@H](O)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000012496377 563370508 /nfs/dbraw/zinc/37/05/08/563370508.db2.gz JEKNPVYFNMZRJG-IFOZKBMWSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CC[C@@H](O)CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000012496824 181767785 /nfs/dbraw/zinc/76/77/85/181767785.db2.gz PPCHNRUZQWLEMF-LFFPGIGVSA-N -1 0 320.473 5.188 40 0 endogenous,in-man DKABRM CC[C@H](O)CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000012496828 563370792 /nfs/dbraw/zinc/37/07/92/563370792.db2.gz PPCHNRUZQWLEMF-OCSJUWFUSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM Cc1ccc2c(c1C)CC[C@@H]1[C@@H]2CC=C2C[C@@H](C(=O)[O-])CC[C@]21C ZINC000013406764 563381116 /nfs/dbraw/zinc/38/11/16/563381116.db2.gz UCINWPUBLZMXTQ-CODJPFMTSA-N -1 0 324.464 5.171 40 0 DKABRM Cc1ccc2c(c1C)CC[C@@H]1[C@@H]2CC=C2C[C@H](C(=O)[O-])CC[C@]21C ZINC000013406772 563381517 /nfs/dbraw/zinc/38/15/17/563381517.db2.gz UCINWPUBLZMXTQ-GFACEEGYSA-N -1 0 324.464 5.171 40 0 DKABRM CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000013507099 563927481 /nfs/dbraw/zinc/92/74/81/563927481.db2.gz YZXBAPSDXZZRGB-BJCBFJDFSA-N -1 0 304.474 6.217 40 0 in-vitro DKABRM CC/C=C/C/C=C\C/C=C\CCCCCCCCCC(=O)[O-] ZINC000013508881 563382586 /nfs/dbraw/zinc/38/25/86/563382586.db2.gz AHANXAKGNAKFSK-NSAMXNATSA-N -1 0 306.490 6.441 40 0 DKABRM CC/C=C/C/C=C/C/C=C\CCCCCCCCCC(=O)[O-] ZINC000013508885 563382713 /nfs/dbraw/zinc/38/27/13/563382713.db2.gz AHANXAKGNAKFSK-KYNNUBNZSA-N -1 0 306.490 6.441 40 0 DKABRM CCCCC/C=C\C/C=C\C/C=C\C=C/[C@@H](O)CCCC(=O)[O-] ZINC000013509268 563382893 /nfs/dbraw/zinc/38/28/93/563382893.db2.gz KGIJOOYOSFUGPC-GJIFHELSSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC[C@H](O)/C=C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000013516221 560218346 /nfs/dbraw/zinc/21/83/46/560218346.db2.gz JSFATNQSLKRBCI-ZGQGHASDSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000013548362 563383492 /nfs/dbraw/zinc/38/34/92/563383492.db2.gz JBSCUHKPLGKXKH-MPGJAVMASA-N -1 0 320.473 5.428 40 0 DKABRM CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCCCC(=O)[O-] ZINC000013587452 181865738 /nfs/dbraw/zinc/86/57/38/181865738.db2.gz DTMJFRNHKXMKBD-IWZNPOATSA-N -1 0 324.505 5.876 40 0 DKABRM CCCCCc1cc(C)c(CCCCCCCCC(=O)[O-])o1 ZINC000014592862 257133023 /nfs/dbraw/zinc/13/30/23/257133023.db2.gz TUQVXFOSXOCQCM-UHFFFAOYSA-N -1 0 308.462 5.679 40 0 endogenous,in-man DKABRM C=C[C@]1(C)CC=C2[C@H](CC[C@@H]3[C@@](C)(C(=O)[O-])CCC[C@]23C)C1 ZINC000014656680 563910951 /nfs/dbraw/zinc/91/09/51/563910951.db2.gz TVHDZSRRHQKNEZ-OKKMPTANSA-N -1 0 302.458 5.206 40 0 biogenic,in-vitro DKABRM CCCCC/C=C/C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-] ZINC000014953070 563404865 /nfs/dbraw/zinc/40/48/65/563404865.db2.gz ZNHVWPKMFKADKW-MVBMDVRZSA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC/C=C\C/C=C/C=C\[C@@H](O)C/C=C\CCCC(=O)[O-] ZINC000014953085 563404519 /nfs/dbraw/zinc/40/45/19/563404519.db2.gz NLUNAYAEIJYXRB-FHBXLWLHSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCCc1oc(CCCCCCCCC(=O)[O-])c(C)c1C ZINC000015120893 257132215 /nfs/dbraw/zinc/13/22/15/257132215.db2.gz GGNZKBPHAMNUOU-UHFFFAOYSA-N -1 0 322.489 5.987 40 0 DKABRM CCCc1oc(CCCCCCCCCCC(=O)[O-])c(C)c1C ZINC000015121052 257132374 /nfs/dbraw/zinc/13/23/74/257132374.db2.gz HDHYFCAMRUJRJJ-UHFFFAOYSA-N -1 0 322.489 5.987 40 0 DKABRM CC/C=C/C/C=C/C/C=C/CCCCCCCCCC(=O)[O-] ZINC000015149677 181990811 /nfs/dbraw/zinc/99/08/11/181990811.db2.gz AHANXAKGNAKFSK-IUQGRGSQSA-N -1 0 306.490 6.441 40 0 DKABRM CC[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000016347026 182041621 /nfs/dbraw/zinc/04/16/21/182041621.db2.gz GPQVVJQEBXAKBJ-YQLHGUCYSA-N -1 0 318.457 5.204 40 0 endogenous,in-man DKABRM Cc1cccc(N(c2ccc(C(=O)[O-])s2)c2ccccc2)c1 ZINC000016349438 182042008 /nfs/dbraw/zinc/04/20/08/182042008.db2.gz YGFXPDAJCLCIFR-UHFFFAOYSA-N -1 0 309.390 5.225 40 0 DKABRM CCCCCCOc1ccc(C(=O)[O-])cc1OCCCCCC ZINC000019075538 182103616 /nfs/dbraw/zinc/10/36/16/182103616.db2.gz LSMYQQPJAHLJSY-UHFFFAOYSA-N -1 0 322.445 5.303 40 0 DKABRM CC(/C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C)=C\C(=O)[O-] ZINC000021992287 182302288 /nfs/dbraw/zinc/30/22/88/182302288.db2.gz SHGAZHPCJJPHSC-WBBXYVSWSA-N -1 0 300.442 5.603 40 0 DKABRM Cc1cc(C)cc(-c2cccc(Nc3ccccc3C(=O)[O-])c2)c1 ZINC000021995282 182302475 /nfs/dbraw/zinc/30/24/75/182302475.db2.gz XUVFMGLRHXUGOW-UHFFFAOYSA-N -1 0 317.388 5.412 40 0 DKABRM CCCCC[C@@H](O)/C=C/C=C/CCCCCCCCCC(=O)[O-] ZINC000026577451 563426035 /nfs/dbraw/zinc/42/60/35/563426035.db2.gz ZTRWPEHMGCHTIT-YFEJABSSSA-N -1 0 324.505 5.636 40 0 DKABRM CCCCC[C@@H](O)/C=C/C=C\CCCCCCCCCC(=O)[O-] ZINC000026578183 563425828 /nfs/dbraw/zinc/42/58/28/563425828.db2.gz ZTRWPEHMGCHTIT-BABDSNKVSA-N -1 0 324.505 5.636 40 0 in-vitro DKABRM CCCCC[C@@H](O)/C=C/C=C\C/C=C\CCCCCCC(=O)[O-] ZINC000026578389 563869007 /nfs/dbraw/zinc/86/90/07/563869007.db2.gz IUKXMNDGTWTNTP-IPNUHODOSA-N -1 0 322.489 5.412 40 0 in-vitro DKABRM CC/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000027638905 563927231 /nfs/dbraw/zinc/92/72/31/563927231.db2.gz RGZIXZYRGZWDMI-IXQKDQKQSA-N -1 0 318.457 5.204 40 0 endogenous,in-man DKABRM CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)[O-] ZINC000027644415 182484946 /nfs/dbraw/zinc/48/49/46/182484946.db2.gz HQPCSDADVLFHHO-LTKCOYKYSA-N -1 0 304.474 6.217 40 0 endogenous,in-man DKABRM CCCCC[C@@H]1O[C@@H]1CCCCCCC/C=C\CCCC(=O)[O-] ZINC000027644716 563428883 /nfs/dbraw/zinc/42/88/83/563428883.db2.gz KZTLOTWHEAHQAZ-CUZNAYPQSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC[C@H]1O[C@@H]1CCCCCCC/C=C\CCCC(=O)[O-] ZINC000027644724 563428690 /nfs/dbraw/zinc/42/86/90/563428690.db2.gz KZTLOTWHEAHQAZ-DFVRDDOUSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC[C@@H]1O[C@H]1CCCCCCC/C=C\CCCC(=O)[O-] ZINC000027644731 563428552 /nfs/dbraw/zinc/42/85/52/563428552.db2.gz KZTLOTWHEAHQAZ-BDNAOYLZSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC[C@H]1O[C@H]1CCCCCCC/C=C\CCCC(=O)[O-] ZINC000027644738 182485013 /nfs/dbraw/zinc/48/50/13/182485013.db2.gz KZTLOTWHEAHQAZ-VNULFWPXSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC/C=C\CCCC/C=C\C/C=C\CCCC(=O)[O-] ZINC000027646600 182484561 /nfs/dbraw/zinc/48/45/61/182484561.db2.gz MZHLWKPZCXLYSL-IJJPYCETSA-N -1 0 306.490 6.441 40 0 in-vitro DKABRM CCCCC/C=C\CCCCCCC/C=C\CCCC(=O)[O-] ZINC000027646983 182484881 /nfs/dbraw/zinc/48/48/81/182484881.db2.gz ZPYAEYLYGOTGGC-OYAITDOQSA-N -1 0 308.506 6.665 40 0 in-vitro DKABRM CCCCC[C@@H]1O[C@@H]1CCCC/C=C\CCCCCCC(=O)[O-] ZINC000027646989 563428809 /nfs/dbraw/zinc/42/88/09/563428809.db2.gz FFYIZOYJCCKMDJ-QKJYYDANSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC[C@H]1O[C@@H]1CCCC/C=C\CCCCCCC(=O)[O-] ZINC000027646992 182485148 /nfs/dbraw/zinc/48/51/48/182485148.db2.gz FFYIZOYJCCKMDJ-GZUQHIBUSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC[C@@H]1O[C@H]1CCCC/C=C\CCCCCCC(=O)[O-] ZINC000027646997 563428667 /nfs/dbraw/zinc/42/86/67/563428667.db2.gz FFYIZOYJCCKMDJ-WDSNSIQLSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC[C@H]1O[C@H]1CCCC/C=C\CCCCCCC(=O)[O-] ZINC000027647003 563927225 /nfs/dbraw/zinc/92/72/25/563927225.db2.gz FFYIZOYJCCKMDJ-FHLMBLHRSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCC[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000027647165 563428509 /nfs/dbraw/zinc/42/85/09/563428509.db2.gz OPPIPPRXLIDJKN-DWUYYRGZSA-N -1 0 320.473 5.188 40 0 endogenous,in-man DKABRM CCC[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000027647171 563428801 /nfs/dbraw/zinc/42/88/01/563428801.db2.gz OPPIPPRXLIDJKN-LNRPRRCASA-N -1 0 320.473 5.188 40 0 endogenous,in-man DKABRM CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C(=O)[O-])CC[C@@]12C ZINC000028539634 182528005 /nfs/dbraw/zinc/52/80/05/182528005.db2.gz KQFDQVMJLKUUDA-ZULIPRJHSA-N -1 0 316.441 5.076 40 0 biogenic,in-vitro DKABRM CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C/C/C=C/CCCC(=O)[O-] ZINC000028895840 182544225 /nfs/dbraw/zinc/54/42/25/182544225.db2.gz JBSCUHKPLGKXKH-JFWCGFLMSA-N -1 0 320.473 5.428 40 0 DKABRM CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(CCc1ccoc1)C(=O)[O-] ZINC000031165859 560090327 /nfs/dbraw/zinc/09/03/27/560090327.db2.gz TUMLDZXQVLUMQL-DJABAAGCSA-N -1 0 316.441 5.076 40 0 biogenic,in-vitro DKABRM Cc1sc(-c2ccc(C(=O)[O-])cc2)nc1-c1ccc(C)c(C)c1 ZINC000032647237 182652923 /nfs/dbraw/zinc/65/29/23/182652923.db2.gz TZNSUXNSKGFYCQ-UHFFFAOYSA-N -1 0 323.417 5.101 40 0 DKABRM CCCCC/C=C\C=C\[C@@H](O)CCCCCCCCCC(=O)[O-] ZINC000033820272 568412918 /nfs/dbraw/zinc/41/29/18/568412918.db2.gz HDMIRVFIVOGVIC-HVLYWLSYSA-N -1 0 324.505 5.636 40 0 in-vitro DKABRM CCCCC[C@H](O)CCCCCCCCCCCC(=O)[O-] ZINC000033820330 182722848 /nfs/dbraw/zinc/72/28/48/182722848.db2.gz MRWKWISFCDSNQN-KRWDZBQOSA-N -1 0 300.483 5.303 40 0 DKABRM CCCCC[C@@H](O)CCCCCCCCCCCC(=O)[O-] ZINC000033820331 568412898 /nfs/dbraw/zinc/41/28/98/568412898.db2.gz MRWKWISFCDSNQN-QGZVFWFLSA-N -1 0 300.483 5.303 40 0 DKABRM CCCCC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCC(=O)[O-] ZINC000033820499 568412938 /nfs/dbraw/zinc/41/29/38/568412938.db2.gz SKIQVURLERJJCK-RDCCVJQZSA-N -1 0 322.489 5.412 40 0 in-vitro DKABRM CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCC(=O)[O-] ZINC000033822161 568412902 /nfs/dbraw/zinc/41/29/02/568412902.db2.gz JDKIKEYFSJUYJZ-OUJQXAOTSA-N -1 0 304.474 6.217 40 0 in-vitro DKABRM CCCCC/C=C/C=C/[C@H](O)C/C=C/C/C=C/CCCC(=O)[O-] ZINC000033838752 563878255 /nfs/dbraw/zinc/87/82/55/563878255.db2.gz GCZRCCHPLVMMJE-UEFJMJDMSA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC/C=C/C[C@H](O)/C=C/C=C/C/C=C/CCCC(=O)[O-] ZINC000033838754 563446185 /nfs/dbraw/zinc/44/61/85/563446185.db2.gz ZNHVWPKMFKADKW-XMWPZNECSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C[C@@H](O)/C=C/C=C/C/C=C/CCCC(=O)[O-] ZINC000033838755 182723426 /nfs/dbraw/zinc/72/34/26/182723426.db2.gz ZNHVWPKMFKADKW-DSYNCJRISA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C/C/C=C/C=C/[C@H](O)CCCC(=O)[O-] ZINC000033838793 563446254 /nfs/dbraw/zinc/44/62/54/563446254.db2.gz KGIJOOYOSFUGPC-DJGSJWDXSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C/C/C=C/C=C/[C@@H](O)CCCC(=O)[O-] ZINC000033838794 182723388 /nfs/dbraw/zinc/72/33/88/182723388.db2.gz KGIJOOYOSFUGPC-HJNFCQDVSA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC/C=C/C/C=C/C=C/[C@H](O)C/C=C/CCCC(=O)[O-] ZINC000033838801 563857465 /nfs/dbraw/zinc/85/74/65/563857465.db2.gz NLUNAYAEIJYXRB-UFVZWBCUSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C/C=C/[C@@H](O)C/C=C/CCCC(=O)[O-] ZINC000033838802 563446436 /nfs/dbraw/zinc/44/64/36/563446436.db2.gz NLUNAYAEIJYXRB-BSLZMDHBSA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC/C=C/C/C=C/C[C@@H](O)/C=C/C=C/CCCC(=O)[O-] ZINC000033838804 182723086 /nfs/dbraw/zinc/72/30/86/182723086.db2.gz KATOYYZUTNAWSA-QSZWASLHSA-N -1 0 320.473 5.188 40 0 DKABRM C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)[O-] ZINC000033986068 563446433 /nfs/dbraw/zinc/44/64/33/563446433.db2.gz PBXJGQQGODZSQR-WQBJWTDHSA-N -1 0 304.474 5.120 40 0 DKABRM CC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\CCCC(=O)[O-] ZINC000034961850 563795209 /nfs/dbraw/zinc/79/52/09/563795209.db2.gz YKIOHMXLFWMWKD-SROXAULOSA-N -1 0 318.457 5.204 40 0 in-vitro DKABRM CC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\CCCC(=O)[O-] ZINC000034961852 182746174 /nfs/dbraw/zinc/74/61/74/182746174.db2.gz YKIOHMXLFWMWKD-CRSBBVEPSA-N -1 0 318.457 5.204 40 0 in-vitro DKABRM CC/C=C\C/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000034961854 563451820 /nfs/dbraw/zinc/45/18/20/563451820.db2.gz YKIOHMXLFWMWKD-DRLKDTPDSA-N -1 0 318.457 5.204 40 0 in-vitro DKABRM CC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000034961856 182745947 /nfs/dbraw/zinc/74/59/47/182745947.db2.gz YKIOHMXLFWMWKD-UWXDDRKUSA-N -1 0 318.457 5.204 40 0 in-vitro DKABRM CC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000034961858 563451715 /nfs/dbraw/zinc/45/17/15/563451715.db2.gz QHOKDYBJJBDJGY-WFPHMWACSA-N -1 0 318.457 5.204 40 0 in-vitro DKABRM CC/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000034961860 563451914 /nfs/dbraw/zinc/45/19/14/563451914.db2.gz QHOKDYBJJBDJGY-AMJMLPKPSA-N -1 0 318.457 5.204 40 0 in-vitro DKABRM CC/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000034961862 563451807 /nfs/dbraw/zinc/45/18/07/563451807.db2.gz QHOKDYBJJBDJGY-LZVBJOTISA-N -1 0 318.457 5.204 40 0 in-vitro DKABRM CC/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000034961863 563451774 /nfs/dbraw/zinc/45/17/74/563451774.db2.gz QHOKDYBJJBDJGY-RDJKCXGFSA-N -1 0 318.457 5.204 40 0 in-vitro DKABRM CCCCC/C=C\C=C\[C@H](O)CCCCCCCCCC(=O)[O-] ZINC000034961865 563451896 /nfs/dbraw/zinc/45/18/96/563451896.db2.gz HDMIRVFIVOGVIC-VOYJXKAKSA-N -1 0 324.505 5.636 40 0 in-vitro DKABRM CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)[O-] ZINC000035334496 563961930 /nfs/dbraw/zinc/96/19/30/563961930.db2.gz JAZBEHYOTPTENJ-XSCOUVMYSA-N -1 0 302.458 5.993 40 0 DKABRM CC(/C=C/C=C(C)\C=C/C1=C(C)CCCC1(C)C)=C\C(=O)[O-] ZINC000036766734 574414343 /nfs/dbraw/zinc/41/43/43/574414343.db2.gz SHGAZHPCJJPHSC-APEUKWGDSA-N -1 0 300.442 5.603 40 0 endogenous,fda DKABRM CCCCC/C=C\C[C@H](O)/C=C/C=C\CCCCCCC(=O)[O-] ZINC000038482712 563740615 /nfs/dbraw/zinc/74/06/15/563740615.db2.gz YYIXZLMPKIFFGQ-ONNNWOQGSA-N -1 0 322.489 5.412 40 0 in-vitro DKABRM O=C([O-])CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCO ZINC000039381666 183017080 /nfs/dbraw/zinc/01/70/80/183017080.db2.gz NNDIXBJHNLFJJP-LOQMXVOYSA-N -1 0 320.473 5.189 40 0 in-vitro DKABRM CC(C)C1=CC2=CC[C@H]3[C@@](C)(C(=O)[O-])CCC[C@@]3(C)[C@@H]2CC1 ZINC000043781631 183385682 /nfs/dbraw/zinc/38/56/82/183385682.db2.gz RSWGJHLUYNHPMX-JYBIWHBTSA-N -1 0 302.458 5.206 40 0 DKABRM CCCCC/C=C\CCCC[C@H]1O[C@H]1CCCCCCC(=O)[O-] ZINC000043898804 183389184 /nfs/dbraw/zinc/38/91/84/183389184.db2.gz ZJBYWYMWLGWVKS-MGBKSAOESA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC/C=C\CCCC[C@@H]1O[C@H]1CCCCCCC(=O)[O-] ZINC000043898807 183389034 /nfs/dbraw/zinc/38/90/34/183389034.db2.gz ZJBYWYMWLGWVKS-RJCMGOLDSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC/C=C\CCCC[C@H]1O[C@@H]1CCCCCCC(=O)[O-] ZINC000043898811 183389117 /nfs/dbraw/zinc/38/91/17/183389117.db2.gz ZJBYWYMWLGWVKS-PWBPZBFBSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM CCCCC/C=C\CCCC[C@@H]1O[C@@H]1CCCCCCC(=O)[O-] ZINC000043898815 183389231 /nfs/dbraw/zinc/38/92/31/183389231.db2.gz ZJBYWYMWLGWVKS-OXUXSNCKSA-N -1 0 324.505 5.876 40 0 in-vitro DKABRM Cc1cc2sc([N-]c3nc4ccccc4s3)nc2c(C)c1 ZINC000057352456 184034740 /nfs/dbraw/zinc/03/47/40/184034740.db2.gz OZASXDXTESSSNZ-UHFFFAOYSA-N -1 0 311.435 5.266 40 0 DKABRM Clc1ccc2nc([N-]c3nc4ccccc4s3)sc2c1 ZINC000057352460 184034750 /nfs/dbraw/zinc/03/47/50/184034750.db2.gz KZPYIJSJRSKTKC-UHFFFAOYSA-N -1 0 317.826 5.303 40 0 DKABRM Clc1ccc2sc([N-]c3nc4ccccc4s3)nc2c1 ZINC000057352461 184034862 /nfs/dbraw/zinc/03/48/62/184034862.db2.gz UMZHMJZAEBLLIR-UHFFFAOYSA-N -1 0 317.826 5.303 40 0 DKABRM Cc1ccc(C)c2sc([N-]c3nc4ccccc4s3)nc21 ZINC000057352478 184034884 /nfs/dbraw/zinc/03/48/84/184034884.db2.gz PKXLNYIXIPMJLZ-UHFFFAOYSA-N -1 0 311.435 5.266 40 0 DKABRM CC(C)c1ccc2oc([N-]c3nc4ccccc4s3)nc2c1 ZINC000057352511 184034722 /nfs/dbraw/zinc/03/47/22/184034722.db2.gz LMPSKWNUXPSLKI-UHFFFAOYSA-N -1 0 309.394 5.305 40 0 DKABRM CC(C)(C)c1ccc2oc([N-]c3nc4ccccc4s3)nc2c1 ZINC000057352512 184034962 /nfs/dbraw/zinc/03/49/62/184034962.db2.gz FVEIKBSTSHWFAX-UHFFFAOYSA-N -1 0 323.421 5.479 40 0 DKABRM CCCCc1ccc2nc([N-]c3nc4ccccc4o3)sc2c1 ZINC000057352524 184034939 /nfs/dbraw/zinc/03/49/39/184034939.db2.gz XAOSKQJZTGSZDA-UHFFFAOYSA-N -1 0 323.421 5.524 40 0 DKABRM CCc1ccc2oc([N-]c3nc4c(cccc4C)s3)nc2c1 ZINC000057352853 184034783 /nfs/dbraw/zinc/03/47/83/184034783.db2.gz KGSHPWCTYULOHW-UHFFFAOYSA-N -1 0 309.394 5.052 40 0 DKABRM Cc1cccc2sc([N-]c3nc4cc(C(C)C)ccc4o3)nc21 ZINC000057352855 184035000 /nfs/dbraw/zinc/03/50/00/184035000.db2.gz UHWGHMDPYSOEOM-UHFFFAOYSA-N -1 0 323.421 5.613 40 0 DKABRM Cc1cccc2sc([N-]c3nc4cc(C)c(C)cc4o3)nc21 ZINC000057352858 184034907 /nfs/dbraw/zinc/03/49/07/184034907.db2.gz YUXGFJLWPXGEKW-UHFFFAOYSA-N -1 0 309.394 5.106 40 0 DKABRM Cc1cc2nc([N-]c3nc4c(cccc4C)s3)oc2c(C)c1 ZINC000057352859 184034868 /nfs/dbraw/zinc/03/48/68/184034868.db2.gz QJVNZYKGQLYIFQ-UHFFFAOYSA-N -1 0 309.394 5.106 40 0 DKABRM Cc1cccc2sc([N-]c3nc4ccc(C)c(C)c4o3)nc21 ZINC000057352860 184034944 /nfs/dbraw/zinc/03/49/44/184034944.db2.gz QTHFALWTVUGLNN-UHFFFAOYSA-N -1 0 309.394 5.106 40 0 DKABRM Cc1ccc2nc([N-]c3nc4ccc(C)c(C)c4o3)sc2c1 ZINC000057352861 184035387 /nfs/dbraw/zinc/03/53/87/184035387.db2.gz FVJKOAKVSKCOFH-UHFFFAOYSA-N -1 0 309.394 5.106 40 0 DKABRM Cc1ccc2nc([N-]c3nc4cc(C)c(C)cc4o3)sc2c1 ZINC000057352862 184035166 /nfs/dbraw/zinc/03/51/66/184035166.db2.gz HWJUJYOLAURQSB-UHFFFAOYSA-N -1 0 309.394 5.106 40 0 DKABRM Cc1ccc2nc([N-]c3nc4cc(C)cc(C)c4o3)sc2c1 ZINC000057352863 184035145 /nfs/dbraw/zinc/03/51/45/184035145.db2.gz DMCDROBZWJPMTA-UHFFFAOYSA-N -1 0 309.394 5.106 40 0 DKABRM CCc1ccc2oc([N-]c3nc4ccc(C)cc4s3)nc2c1 ZINC000057352867 184035202 /nfs/dbraw/zinc/03/52/02/184035202.db2.gz IDXPIEHDYFCYBE-UHFFFAOYSA-N -1 0 309.394 5.052 40 0 DKABRM Cc1ccc2nc([N-]c3nc4cc(C(C)C)ccc4o3)sc2c1 ZINC000057352868 184035522 /nfs/dbraw/zinc/03/55/22/184035522.db2.gz VAYCTYVVRALEAB-UHFFFAOYSA-N -1 0 323.421 5.613 40 0 DKABRM Cc1ccc2nc([N-]c3nc4cc(Cl)ccc4o3)sc2c1 ZINC000057352871 184035200 /nfs/dbraw/zinc/03/52/00/184035200.db2.gz CYHUZGILJUDKGP-UHFFFAOYSA-N -1 0 315.785 5.143 40 0 DKABRM Cc1cc2sc([N-]c3nc4cccc(C)c4o3)nc2c(C)c1 ZINC000057352876 184035096 /nfs/dbraw/zinc/03/50/96/184035096.db2.gz TULHQPNOYIVSTQ-UHFFFAOYSA-N -1 0 309.394 5.106 40 0 DKABRM Cc1ccc2nc([N-]c3nc4c(cc(C)cc4C)s3)oc2c1 ZINC000057352877 184035076 /nfs/dbraw/zinc/03/50/76/184035076.db2.gz AHMJWXFDRRSAPL-UHFFFAOYSA-N -1 0 309.394 5.106 40 0 DKABRM Cc1ccc2oc([N-]c3nc4c(cc(C)cc4C)s3)nc2c1 ZINC000057352878 184035365 /nfs/dbraw/zinc/03/53/65/184035365.db2.gz UBZPIOCZMXCMRF-UHFFFAOYSA-N -1 0 309.394 5.106 40 0 DKABRM CCc1ccc2oc([N-]c3nc4c(cc(C)cc4C)s3)nc2c1 ZINC000057352879 184035222 /nfs/dbraw/zinc/03/52/22/184035222.db2.gz NJMMXEJTBHOTEZ-UHFFFAOYSA-N -1 0 323.421 5.360 40 0 DKABRM Cc1cc2nc([N-]c3nc4c(cc(C)cc4C)s3)oc2c(C)c1 ZINC000057352882 184035475 /nfs/dbraw/zinc/03/54/75/184035475.db2.gz SEFMMLNTUMMOFU-UHFFFAOYSA-N -1 0 323.421 5.415 40 0 DKABRM Cc1cc2sc([N-]c3nc4cc(C)c(C)cc4o3)nc2c(C)c1 ZINC000057352883 184035338 /nfs/dbraw/zinc/03/53/38/184035338.db2.gz VTBXJWYBKHMKGV-UHFFFAOYSA-N -1 0 323.421 5.415 40 0 DKABRM Cc1cc2sc([N-]c3nc4ccc(C)c(C)c4o3)nc2c(C)c1 ZINC000057352884 184035530 /nfs/dbraw/zinc/03/55/30/184035530.db2.gz WFSJIJGFMLJNJQ-UHFFFAOYSA-N -1 0 323.421 5.415 40 0 DKABRM Cc1ccc2oc([N-]c3nc4c(cccc4Cl)s3)nc2c1 ZINC000057352905 184035224 /nfs/dbraw/zinc/03/52/24/184035224.db2.gz MNAYCSVSTZMTNZ-UHFFFAOYSA-N -1 0 315.785 5.143 40 0 DKABRM Cc1cccc2nc([N-]c3nc4c(cccc4Cl)s3)oc21 ZINC000057352909 184035318 /nfs/dbraw/zinc/03/53/18/184035318.db2.gz NQAMMRJXYRHHBY-UHFFFAOYSA-N -1 0 315.785 5.143 40 0 DKABRM Cc1ccc2nc([N-]c3nc4c(cccc4Cl)s3)oc2c1 ZINC000057352910 184035236 /nfs/dbraw/zinc/03/52/36/184035236.db2.gz XEOWPBSGLPWBJS-UHFFFAOYSA-N -1 0 315.785 5.143 40 0 DKABRM Cc1cccc2nc([N-]c3nc4cc(Cl)ccc4s3)oc21 ZINC000057352919 184035404 /nfs/dbraw/zinc/03/54/04/184035404.db2.gz HAGLXUWERNMMNN-UHFFFAOYSA-N -1 0 315.785 5.143 40 0 DKABRM Cc1ccc2nc([N-]c3nc4cc(Cl)ccc4s3)oc2c1 ZINC000057352920 184035518 /nfs/dbraw/zinc/03/55/18/184035518.db2.gz HEERRAMNSNKTBJ-UHFFFAOYSA-N -1 0 315.785 5.143 40 0 DKABRM Cc1ccc2oc([N-]c3nc4cc(Cl)ccc4s3)nc2c1 ZINC000057352921 184035310 /nfs/dbraw/zinc/03/53/10/184035310.db2.gz JZURSCYTLHPWOM-UHFFFAOYSA-N -1 0 315.785 5.143 40 0 DKABRM Cc1ccc2oc([N-]c3nc4ccc(Cl)cc4s3)nc2c1 ZINC000057352936 184035385 /nfs/dbraw/zinc/03/53/85/184035385.db2.gz IHAVQQJXQCZLQX-UHFFFAOYSA-N -1 0 315.785 5.143 40 0 DKABRM Cc1cccc2nc([N-]c3nc4ccc(Cl)cc4s3)oc21 ZINC000057352944 184035261 /nfs/dbraw/zinc/03/52/61/184035261.db2.gz MMCPNOFLIPMAOS-UHFFFAOYSA-N -1 0 315.785 5.143 40 0 DKABRM O=C([O-])c1ccccc1Nc1ccc(Sc2ccccc2)cc1 ZINC000062260199 257129225 /nfs/dbraw/zinc/12/92/25/257129225.db2.gz LMAUGPYKUIWVAT-UHFFFAOYSA-N -1 0 321.401 5.280 40 0 DKABRM CCCCC/C=C\C/C=C\C/C=C\C/C=C/CCCC(=O)[O-] ZINC000064219879 184292476 /nfs/dbraw/zinc/29/24/76/184292476.db2.gz YZXBAPSDXZZRGB-NYMQMLLSSA-N -1 0 304.474 6.217 40 0 DKABRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-] ZINC000064219882 184293301 /nfs/dbraw/zinc/29/33/01/184293301.db2.gz JXBGAGGGNJCQPU-DOFZRALJSA-N -1 0 318.501 6.607 40 0 DKABRM CCCCC/C=C\C/C=C\C=C\[C@H](O)CCCCCCC(=O)[O-] ZINC000064858257 184304936 /nfs/dbraw/zinc/30/49/36/184304936.db2.gz SKIQVURLERJJCK-NAFMLRNLSA-N -1 0 322.489 5.412 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C\C[C@H]1O[C@H]1C/C=C\CCCC(=O)[O-] ZINC000085628917 563521311 /nfs/dbraw/zinc/52/13/11/563521311.db2.gz DBWQSCSXHFNTMO-YDPMDJOLSA-N -1 0 320.473 5.428 40 0 DKABRM CCCCC/C=C/C/C=C/C[C@H]1O[C@H]1C/C=C\CCCC(=O)[O-] ZINC000085628920 563521177 /nfs/dbraw/zinc/52/11/77/563521177.db2.gz DBWQSCSXHFNTMO-LEKFCNMCSA-N -1 0 320.473 5.428 40 0 DKABRM CCCCC/C=C/C=C/[C@H](O)C/C=C\C/C=C\CCCC(=O)[O-] ZINC000090427430 185295728 /nfs/dbraw/zinc/29/57/28/185295728.db2.gz GCZRCCHPLVMMJE-KLAPNLKBSA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC[C@H]1O[C@H]1C/C=C\C/C=C\CCCCCCC(=O)[O-] ZINC000095644671 563931701 /nfs/dbraw/zinc/93/17/01/563931701.db2.gz ZXBWLXDDSYHRTE-ZSTLDFTLSA-N -1 0 322.489 5.652 40 0 in-vitro DKABRM CCCCC[C@@H]1O[C@H]1C/C=C\C/C=C\CCCCCCC(=O)[O-] ZINC000095644672 563931834 /nfs/dbraw/zinc/93/18/34/563931834.db2.gz ZXBWLXDDSYHRTE-CSXWFKLVSA-N -1 0 322.489 5.652 40 0 in-vitro DKABRM CCCCC[C@H]1O[C@@H]1C/C=C\C/C=C\CCCCCCC(=O)[O-] ZINC000095644673 563931833 /nfs/dbraw/zinc/93/18/33/563931833.db2.gz ZXBWLXDDSYHRTE-FQNBLSRASA-N -1 0 322.489 5.652 40 0 in-vitro DKABRM CCCCC[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCCCCC(=O)[O-] ZINC000095644674 563931814 /nfs/dbraw/zinc/93/18/14/563931814.db2.gz ZXBWLXDDSYHRTE-FYMJEONPSA-N -1 0 322.489 5.652 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C/C=C\[C@H](O)C/C=C\CCCC(=O)[O-] ZINC000095845704 563822247 /nfs/dbraw/zinc/82/22/47/563822247.db2.gz NLUNAYAEIJYXRB-PXSRNNRSSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C/C=C/[C@@H](O)C/C=C\CCCC(=O)[O-] ZINC000096014670 563531304 /nfs/dbraw/zinc/53/13/04/563531304.db2.gz NLUNAYAEIJYXRB-NVXPNWPVSA-N -1 0 320.473 5.188 40 0 DKABRM CC(/C=C/C=C(C)\C=C/C1=C(C)CCCC1(C)C)=C/C(=O)[O-] ZINC000096014710 574417170 /nfs/dbraw/zinc/41/71/70/574417170.db2.gz SHGAZHPCJJPHSC-JPSFTREDSA-N -1 0 300.442 5.603 40 0 endogenous,fda DKABRM Cc1ccc(-c2ccc(C(=O)Nc3ccccc3[S-])o2)cc1C ZINC000107581260 563923339 /nfs/dbraw/zinc/92/33/39/563923339.db2.gz PXHIUCHAADGGGU-UHFFFAOYSA-N -1 0 323.417 5.104 40 0 DKABRM C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)[O-] ZINC000118925477 563593602 /nfs/dbraw/zinc/59/36/02/563593602.db2.gz PBXJGQQGODZSQR-VUJKKSPKSA-N -1 0 304.474 5.120 40 0 DKABRM CCCCC/C=C/C/C=C\C/C=C/CCCCCCC(=O)[O-] ZINC000142802161 186032998 /nfs/dbraw/zinc/03/29/98/186032998.db2.gz HOBAELRKJCKHQD-FATBIOMTSA-N -1 0 306.490 6.441 40 0 in-vitro DKABRM CCCCC[C@@H]1C[C@H]1C[C@@H]1C[C@H]1CCCCCCCC(=O)[O-] ZINC000144565065 563909568 /nfs/dbraw/zinc/90/95/68/563909568.db2.gz CONYTTFKIUJZOF-YRXWBPOGSA-N -1 0 308.506 6.044 40 0 DKABRM CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C\C/C=C/CCCC(=O)[O-] ZINC000150373517 186056937 /nfs/dbraw/zinc/05/69/37/186056937.db2.gz JBSCUHKPLGKXKH-QRQXYFQZSA-N -1 0 320.473 5.428 40 0 DKABRM CCCCC[C@H](O)/C=C/C=C/C/C=C/C/C=C\CCCC(=O)[O-] ZINC000150373543 186056785 /nfs/dbraw/zinc/05/67/85/186056785.db2.gz JSFATNQSLKRBCI-NISZLQOFSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC[C@H](O)/C=C/C=C/C/C=C\C/C=C/CCCC(=O)[O-] ZINC000150373545 186056580 /nfs/dbraw/zinc/05/65/80/186056580.db2.gz JSFATNQSLKRBCI-OEGFTWOSSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C=C/[C@H](O)C/C=C/C/C=C\CCCC(=O)[O-] ZINC000150373560 186056543 /nfs/dbraw/zinc/05/65/43/186056543.db2.gz GCZRCCHPLVMMJE-MOCJTNDKSA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC/C=C/C=C/[C@H](O)C/C=C\C/C=C/CCCC(=O)[O-] ZINC000150373564 186056674 /nfs/dbraw/zinc/05/66/74/186056674.db2.gz GCZRCCHPLVMMJE-WZTLJXEQSA-N -1 0 320.473 5.188 40 0 DKABRM CCCC/C=C/CCCCCCCC/C=C/CCCC(=O)[O-] ZINC000164847612 563357471 /nfs/dbraw/zinc/35/74/71/563357471.db2.gz WNCXYEKUZJPVOH-ICYHVJMASA-N -1 0 308.506 6.665 40 0 DKABRM CCCC/C=C/CCCCCCCC/C=C\CCCC(=O)[O-] ZINC000167350073 563622921 /nfs/dbraw/zinc/62/29/21/563622921.db2.gz WNCXYEKUZJPVOH-ZMHWZQNNSA-N -1 0 308.506 6.665 40 0 DKABRM CCCC/C=C\CCCCCCCC/C=C\CCCC(=O)[O-] ZINC000167350179 563622812 /nfs/dbraw/zinc/62/28/12/563622812.db2.gz WNCXYEKUZJPVOH-NCCHCWSYSA-N -1 0 308.506 6.665 40 0 DKABRM CCCC/C=C\CCCCCCCC/C=C/CCCC(=O)[O-] ZINC000167350312 563622914 /nfs/dbraw/zinc/62/29/14/563622914.db2.gz WNCXYEKUZJPVOH-IYUNJCAYSA-N -1 0 308.506 6.665 40 0 DKABRM CCCCC/C=C/C=C\[C@@H](O)CCCCCCCCCC(=O)[O-] ZINC000199852400 563679029 /nfs/dbraw/zinc/67/90/29/563679029.db2.gz HDMIRVFIVOGVIC-UQLBWCMCSA-N -1 0 324.505 5.636 40 0 DKABRM CCCCC/C=C/C=C/[C@@H](O)CCCCCCCCCC(=O)[O-] ZINC000199852425 563679116 /nfs/dbraw/zinc/67/91/16/563679116.db2.gz HDMIRVFIVOGVIC-SJKVJHEJSA-N -1 0 324.505 5.636 40 0 DKABRM Cc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)c2ccccc12 ZINC000216941806 563858747 /nfs/dbraw/zinc/85/87/47/563858747.db2.gz SCIITBGPNDFWNO-UHFFFAOYSA-N -1 0 313.356 5.062 40 0 DKABRM CCCC[C@@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C ZINC000223224547 563732390 /nfs/dbraw/zinc/73/23/90/563732390.db2.gz CQMQKUALVLLRQM-LRDDRELGSA-N -1 0 323.864 5.076 40 0 DKABRM CCCC[C@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C ZINC000223224610 201637078 /nfs/dbraw/zinc/63/70/78/201637078.db2.gz CQMQKUALVLLRQM-BLLLJJGKSA-N -1 0 323.864 5.076 40 0 DKABRM CCCC[C@@H](C(=O)[O-])N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C ZINC000223224973 563732586 /nfs/dbraw/zinc/73/25/86/563732586.db2.gz XUUKUJWOAUTHBY-RDJZCZTQSA-N -1 0 317.473 5.039 40 0 DKABRM CCCC[C@H](C(=O)[O-])N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C ZINC000223225046 563732253 /nfs/dbraw/zinc/73/22/53/563732253.db2.gz XUUKUJWOAUTHBY-DOTOQJQBSA-N -1 0 317.473 5.039 40 0 DKABRM CCc1ccc2oc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1 ZINC000226291146 201771854 /nfs/dbraw/zinc/77/18/54/201771854.db2.gz FFXFUOLWKRYOGA-UHFFFAOYSA-N -1 0 308.164 5.070 40 0 DKABRM CC(C)C1=CC[C@@H]2C(=CC[C@@H]3[C@@](C)(C(=O)[O-])CCC[C@@]23C)C1 ZINC000227064172 340594741 /nfs/dbraw/zinc/59/47/41/340594741.db2.gz DSDBOHXSFSNRFF-UMGGQSCQSA-N -1 0 302.458 5.206 40 0 DKABRM CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)[O-] ZINC000238749538 563414914 /nfs/dbraw/zinc/41/49/14/563414914.db2.gz YZXBAPSDXZZRGB-BHVWNTRMSA-N -1 0 304.474 6.217 40 0 in-vitro DKABRM Cc1ccc2c(c1C)CC[C@@H]1[C@@H]2CC=C2C[C@H](C(=O)[O-])CC[C@@]21C ZINC000245240834 202513071 /nfs/dbraw/zinc/51/30/71/202513071.db2.gz UCINWPUBLZMXTQ-XVJMICLVSA-N -1 0 324.464 5.171 40 0 DKABRM CC(C)C1=CC[C@@H]2C(=CC[C@H]3[C@]2(C)CCC[C@]3(C)C(=O)[O-])C1 ZINC000252078457 341423093 /nfs/dbraw/zinc/42/30/93/341423093.db2.gz DSDBOHXSFSNRFF-BWPNAZKDSA-N -1 0 302.458 5.206 40 0 DKABRM CCCC[C@@H](CC)C[P@](=O)([O-])OC[C@@H](CC)CCCC ZINC000253476096 563925820 /nfs/dbraw/zinc/92/58/20/563925820.db2.gz ZDFBXXSHBTVQMB-JKSUJKDBSA-N -1 0 306.427 5.621 40 0 DKABRM CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)[O-] ZINC000254752718 563914981 /nfs/dbraw/zinc/91/49/81/563914981.db2.gz YZXBAPSDXZZRGB-LIJGZOPESA-N -1 0 304.474 6.217 40 0 in-vitro DKABRM CC/C=C/C/C=C\C/C=C/CCCCCCCCCC(=O)[O-] ZINC000256075747 563926089 /nfs/dbraw/zinc/92/60/89/563926089.db2.gz AHANXAKGNAKFSK-BXPSWRNBSA-N -1 0 306.490 6.441 40 0 DKABRM CCCCC/C=C/C[C@H](O)/C=C/C=C\C/C=C/CCCC(=O)[O-] ZINC000256080594 337603194 /nfs/dbraw/zinc/60/31/94/337603194.db2.gz ZNHVWPKMFKADKW-LBLCXRALSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C[C@H](O)/C=C/C=C/C/C=C\CCCC(=O)[O-] ZINC000256080595 337603182 /nfs/dbraw/zinc/60/31/82/337603182.db2.gz ZNHVWPKMFKADKW-XVYJMYMNSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C/C=C\[C@H](O)C/C=C/CCCC(=O)[O-] ZINC000256110228 563926183 /nfs/dbraw/zinc/92/61/83/563926183.db2.gz NLUNAYAEIJYXRB-WCVXIOCESA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C/C/C=C/C=C\[C@H](O)CCCC(=O)[O-] ZINC000256134420 563926222 /nfs/dbraw/zinc/92/62/22/563926222.db2.gz KGIJOOYOSFUGPC-FPVVLMGXSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C\C/C=C/C=C/[C@H](O)CCCC(=O)[O-] ZINC000256134423 563926122 /nfs/dbraw/zinc/92/61/22/563926122.db2.gz KGIJOOYOSFUGPC-LEUZKFPSSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCCC/C=C/C/C=C\C/C=C/C=C\[C@H](O)CCCC(=O)[O-] ZINC000256134424 563926191 /nfs/dbraw/zinc/92/61/91/563926191.db2.gz KGIJOOYOSFUGPC-ZRSDPIDPSA-N -1 0 320.473 5.188 40 0 in-vitro DKABRM CCCC[C@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@H](C)CC1(C)C ZINC000260613083 333425090 /nfs/dbraw/zinc/42/50/90/333425090.db2.gz CQMQKUALVLLRQM-MLGOLLRUSA-N -1 0 323.864 5.076 40 0 DKABRM CCCC[C@@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@H](C)CC1(C)C ZINC000260613089 333424926 /nfs/dbraw/zinc/42/49/26/333424926.db2.gz CQMQKUALVLLRQM-WBMJQRKESA-N -1 0 323.864 5.076 40 0 DKABRM CCCC[C@H](C(=O)[O-])N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C ZINC000260625001 563926289 /nfs/dbraw/zinc/92/62/89/563926289.db2.gz XUUKUJWOAUTHBY-NVXWUHKLSA-N -1 0 317.473 5.039 40 0 DKABRM CCCC[C@@H](C(=O)[O-])N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C ZINC000260625005 563926273 /nfs/dbraw/zinc/92/62/73/563926273.db2.gz XUUKUJWOAUTHBY-WBVHZDCISA-N -1 0 317.473 5.039 40 0 DKABRM CCCCC/C=C/C/C=C/C=C\[C@@H](O)C/C=C/CCCC(=O)[O-] ZINC000299888535 334258587 /nfs/dbraw/zinc/25/85/87/334258587.db2.gz NLUNAYAEIJYXRB-CVAOQVFISA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC/C=C/C[C@@H](O)/C=C/C=C\C/C=C/CCCC(=O)[O-] ZINC000299888839 334258577 /nfs/dbraw/zinc/25/85/77/334258577.db2.gz ZNHVWPKMFKADKW-GRJDEVEZSA-N -1 0 320.473 5.188 40 0 DKABRM CCCCC/C=C/C[C@@H](O)/C=C/C=C/C/C=C\CCCC(=O)[O-] ZINC000299888840 334258586 /nfs/dbraw/zinc/25/85/86/334258586.db2.gz ZNHVWPKMFKADKW-QWQWRRQHSA-N -1 0 320.473 5.188 40 0 DKABRM [O-]c1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl ZINC000408612463 257229009 /nfs/dbraw/zinc/22/90/09/257229009.db2.gz WDMNYOVXHJSEOQ-UHFFFAOYSA-N -1 0 320.578 5.104 40 0 DKABRM Cc1c(Cl)cccc1NCc1cc(Cl)c([O-])c(Cl)c1 ZINC000409110555 257223103 /nfs/dbraw/zinc/22/31/03/257223103.db2.gz DZCKLRKRWBKVAG-UHFFFAOYSA-N -1 0 316.615 5.273 40 0 DKABRM Cc1ccc(Cl)cc1NCc1cc(Cl)c([O-])c(Cl)c1 ZINC000409111948 257222504 /nfs/dbraw/zinc/22/25/04/257222504.db2.gz ATTVOGIWFYHVEY-UHFFFAOYSA-N -1 0 316.615 5.273 40 0 DKABRM Cc1ccc(NCc2cc(Cl)c([O-])c(Cl)c2)cc1Cl ZINC000409121829 257222573 /nfs/dbraw/zinc/22/25/73/257222573.db2.gz WUKWJGCLJPPFQD-UHFFFAOYSA-N -1 0 316.615 5.273 40 0 DKABRM Cc1c2cc(Cl)ccc2n(CCC2CCCCC2)c1C(=O)[O-] ZINC000585267280 563782110 /nfs/dbraw/zinc/78/21/10/563782110.db2.gz JKSQGKWDOPLGBU-UHFFFAOYSA-N -1 0 319.832 5.272 40 0 DKABRM CC(C)c1c(=O)c2cc(C(F)(F)F)ccc2[n-]c1C(F)(F)F ZINC000685937935 563927025 /nfs/dbraw/zinc/92/70/25/563927025.db2.gz BUFKEVGVTNOVRC-UHFFFAOYSA-N -1 0 323.236 5.101 40 0 DKABRM