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([O-])C(Cc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000001615121 304026963 /nfs/dbraw/zinc/02/69/63/304026963.db2.gz NRIDIKKHBOBNRS-UHFFFAOYSA-N -2 0 270.284 2.682 40 0 in-vitro CFABRL CCc1ccc(C(C)(C)[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000002046392 371714877 /nfs/dbraw/zinc/71/48/77/371714877.db2.gz YOIMXRLWYNJPDF-LBPRGKRZSA-N -2 0 264.321 2.702 40 0 CFABRL O=C([O-])c1ccc(Cc2ccccc2C(=O)[O-])cc1 ZINC000001669772 371694322 /nfs/dbraw/zinc/69/43/22/371694322.db2.gz SXJJRDVGHKSPCS-UHFFFAOYSA-N -2 0 256.257 2.674 40 0 in-vitro CFABRL O=C([O-])C[C@@H](C(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000002042286 371713739 /nfs/dbraw/zinc/71/37/39/371713739.db2.gz HGTCLOVEROWTJE-CQSZACIVSA-N -2 0 282.295 2.974 40 0 in-vitro CFABRL O=C(c1ccc([O-])c(F)c1)c1ccc([O-])c(F)c1 ZINC000001712488 371702131 /nfs/dbraw/zinc/70/21/31/371702131.db2.gz WELNAMBQLGJSJO-UHFFFAOYSA-N -2 0 250.200 2.607 40 0 CFABRL CC(C)(C)c1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000041305556 278561470 /nfs/dbraw/zinc/56/14/70/278561470.db2.gz JZHIQBGRSFYULH-NSHDSACASA-N -2 0 250.294 2.627 40 0 CFABRL O=C([O-])[C@@H]1[C@@H]2CC/C=C/CC[C@H]3[C@@H](C(=O)[O-])[C@H]3CC[C@@H]21 ZINC000257346771 348305842 /nfs/dbraw/zinc/30/58/42/348305842.db2.gz HTMLAJKVTFEYLT-PODZNEQHSA-N -2 0 278.348 2.790 40 0 CFABRL O=C([O-])Cc1ccc(Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC000001699472 371698340 /nfs/dbraw/zinc/69/83/40/371698340.db2.gz OYEFCNZDQGBNKU-UHFFFAOYSA-N -2 0 286.283 2.733 40 0 CFABRL COc1ccc(C(=O)[O-])cc1Oc1cc(C=O)ccc1[O-] ZINC000034175583 372507241 /nfs/dbraw/zinc/50/72/41/372507241.db2.gz ZULGBROEAWAPKY-UHFFFAOYSA-N -2 0 288.255 2.704 40 0 biogenic,in-vitro CFABRL Nc1ccc2c(c1)[C@H]([C@@H](CC(=O)[O-])C(=O)[O-])c1ccccc1-2 ZINC000096527898 393837827 /nfs/dbraw/zinc/83/78/27/393837827.db2.gz MFZIKAANRRDXEN-GDBMZVCRSA-N -2 0 297.310 2.557 40 0 CFABRL O=C([O-])/C=C\c1ccc(Oc2ccccc2C(=O)[O-])o1 ZINC000017214666 170730622 /nfs/dbraw/zinc/73/06/22/170730622.db2.gz NTYKGLOVBHEZJX-ALCCZGGFSA-N -2 0 274.228 2.868 40 0 CFABRL O=C([O-])C(=C=Cc1cccc2ccccc12)C(=O)[O-] ZINC000001594155 371685008 /nfs/dbraw/zinc/68/50/08/371685008.db2.gz JRWGWBBXWVSLGT-UHFFFAOYSA-N -2 0 254.241 2.548 40 0 CFABRL O=C([O-])/C=C/c1ccc(Oc2ccccc2C(=O)[O-])o1 ZINC000001630156 371690543 /nfs/dbraw/zinc/69/05/43/371690543.db2.gz NTYKGLOVBHEZJX-FNORWQNLSA-N -2 0 274.228 2.868 40 0 CFABRL CC(C)=C[C@@H]1C=C(C)[C@@H](C)[C@H](C(=O)[O-])[C@@H]1C(=O)[O-] ZINC000004023366 371829571 /nfs/dbraw/zinc/82/95/71/371829571.db2.gz YBNXSKCLVOXLPW-WISYIIOYSA-N -2 0 252.310 2.566 40 0 CFABRL O=C([O-])C[C@@H](C(=O)[O-])[C@H]1c2ccccc2-c2ccc(O)cc21 ZINC000096527908 393837841 /nfs/dbraw/zinc/83/78/41/393837841.db2.gz DCCHKRJEZJYBSK-ZBFHGGJFSA-N -2 0 298.294 2.680 40 0 CFABRL CC(C)=C[C@H]1C=C(C)[C@H](C)[C@H](C(=O)[O-])[C@@H]1C(=O)[O-] ZINC000101245264 278667690 /nfs/dbraw/zinc/66/76/90/278667690.db2.gz YBNXSKCLVOXLPW-FIQHERPVSA-N -2 0 252.310 2.566 40 0 CFABRL O=C([O-])[C@@H]1[C@@H]2CC/C=C/CC[C@H]3[C@@H](C(=O)[O-])[C@H]3CC[C@H]21 ZINC000016248993 304156087 /nfs/dbraw/zinc/15/60/87/304156087.db2.gz HTMLAJKVTFEYLT-MZNIMQMDSA-N -2 0 278.348 2.790 40 0 CFABRL O=C([O-])c1ccc(CSc2n[n-]c(=S)s2)cc1 ZINC000016401889 372105393 /nfs/dbraw/zinc/10/53/93/372105393.db2.gz JAQNJXBQTGXTOQ-UHFFFAOYSA-N -2 0 284.387 2.817 40 0 CFABRL O=C([O-])c1ccc2c(c1C(=O)[O-])[C@H]1C=C[C@@H]3C=C[C@H]2[C@H]31 ZINC000101138924 230392301 /nfs/dbraw/zinc/39/23/01/230392301.db2.gz GJAIABJXCAUQMR-NUODRBITSA-N -2 0 268.268 2.636 40 0 CFABRL O=C([O-])c1ccccc1NCNc1ccccc1C(=O)[O-] ZINC000000047244 371516985 /nfs/dbraw/zinc/51/69/85/371516985.db2.gz PMAPIPPKZXGDFA-UHFFFAOYSA-N -2 0 286.287 2.565 40 0 CFABRL O=C([O-])c1ccccc1C[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000001646093 371692101 /nfs/dbraw/zinc/69/21/01/371692101.db2.gz SKQTVKKGTTXHSL-CQSZACIVSA-N -2 0 284.311 2.871 40 0 CFABRL O=C([O-])C[C@@H](C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000001684903 371699203 /nfs/dbraw/zinc/69/92/03/371699203.db2.gz BQWSDOJNHRPFNW-CQSZACIVSA-N -2 0 284.311 2.994 40 0 CFABRL Cc1oc(COc2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000032109851 372426643 /nfs/dbraw/zinc/42/66/43/372426643.db2.gz ATAXOSRFIUOZCP-UHFFFAOYSA-N -2 0 276.244 2.563 40 0 CFABRL CCOc1ccc2nc([N-]C3N=CC([O-])=N3)nc(C)c2c1 ZINC000408992186 380951684 /nfs/dbraw/zinc/95/16/84/380951684.db2.gz ZZAGMRLQQGYURY-UHFFFAOYSA-N -2 0 285.307 2.509 40 0 CFABRL CCCCc1ccc(-n2[n-]c(C(=O)[O-])cc2=O)cc1 ZINC000217697086 382787361 /nfs/dbraw/zinc/78/73/61/382787361.db2.gz ZFXKLLLKEDZWOK-UHFFFAOYSA-N -2 0 260.293 2.619 40 0 CFABRL Nc1ccc2c(c1)[C@H]([C@H](CC(=O)[O-])C(=O)[O-])c1ccccc1-2 ZINC000096527902 393837642 /nfs/dbraw/zinc/83/76/42/393837642.db2.gz MFZIKAANRRDXEN-GOEBONIOSA-N -2 0 297.310 2.557 40 0 CFABRL O=C([O-])CCc1ccc(CCC(=O)[O-])c2ccccc12 ZINC000002565912 169810012 /nfs/dbraw/zinc/81/00/12/169810012.db2.gz AMUCOYPKTLXIST-UHFFFAOYSA-N -2 0 272.300 2.874 40 0 CFABRL CCc1cc(C)n(Cc2cccc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000078405415 177338361 /nfs/dbraw/zinc/33/83/61/177338361.db2.gz NGUGGWAHWOKKLQ-UHFFFAOYSA-N -2 0 287.315 2.804 40 0 CFABRL O=C([O-])Nc1ccc(Br)c(Cl)c1C(=O)[O-] ZINC000521813219 333210634 /nfs/dbraw/zinc/21/06/34/333210634.db2.gz CSTRFBMMXVWWAD-UHFFFAOYSA-N -2 0 294.488 2.891 40 0 CFABRL O=C(c1ccccc1)[C@@H](OP(=O)([O-])[O-])c1ccccc1 ZINC000001599696 371686919 /nfs/dbraw/zinc/68/69/19/371686919.db2.gz OPFZBJUCCIAOAC-AWEZNQCLSA-N -2 0 292.227 2.720 40 0 CFABRL CCCCn1c(=O)c2ccc(C(=O)[O-])cc2[n-]c1=S ZINC000002969714 371767318 /nfs/dbraw/zinc/76/73/18/371767318.db2.gz DMWOSYAZALHVKH-UHFFFAOYSA-N -2 0 278.333 2.557 40 0 CFABRL CC(C)(C)n1c(=O)c2ccc(C(=O)[O-])cc2[n-]c1=S ZINC000015424388 372083848 /nfs/dbraw/zinc/08/38/48/372083848.db2.gz RIZOCRUIUCZYGJ-UHFFFAOYSA-N -2 0 278.333 2.512 40 0 CFABRL Nc1ccc2c(c1)[C@@H]([C@H](CC(=O)[O-])C(=O)[O-])c1ccccc1-2 ZINC000096527904 393837678 /nfs/dbraw/zinc/83/76/78/393837678.db2.gz MFZIKAANRRDXEN-HOCLYGCPSA-N -2 0 297.310 2.557 40 0 CFABRL Nc1ccc2c(c1)[C@@H]([C@@H](CC(=O)[O-])C(=O)[O-])c1ccccc1-2 ZINC000096527900 393837792 /nfs/dbraw/zinc/83/77/92/393837792.db2.gz MFZIKAANRRDXEN-ZBFHGGJFSA-N -2 0 297.310 2.557 40 0 CFABRL CC(C)CC(CCc1ccccc1)(C(=O)[O-])C(=O)[O-] ZINC000001577310 371683149 /nfs/dbraw/zinc/68/31/49/371683149.db2.gz KSRCWCBLXGHIBB-UHFFFAOYSA-N -2 0 264.321 2.821 40 0 CFABRL O=C([O-])C[C@H](C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000006344082 170194487 /nfs/dbraw/zinc/19/44/87/170194487.db2.gz BQWSDOJNHRPFNW-AWEZNQCLSA-N -2 0 284.311 2.994 40 0 CFABRL CCc1cc(C)n(Cc2ccccc2C(=O)[O-])c1C(=O)[O-] ZINC000078405419 177338566 /nfs/dbraw/zinc/33/85/66/177338566.db2.gz HKJZBLFOPZWHPR-UHFFFAOYSA-N -2 0 287.315 2.804 40 0 CFABRL O=C([O-])c1ccc(OCc2ccccc2)c(C(=O)[O-])c1 ZINC000007603866 534546089 /nfs/dbraw/zinc/54/60/89/534546089.db2.gz JFILHZCMCBWTRC-UHFFFAOYSA-N -2 0 272.256 2.662 40 0 CFABRL O=C([O-])c1ccc(-c2nc3cc(C(=O)[O-])ccc3o2)cc1 ZINC000020158794 304230681 /nfs/dbraw/zinc/23/06/81/304230681.db2.gz VZHSERPWACQFTI-UHFFFAOYSA-N -2 0 283.239 2.891 40 0 CFABRL O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)C2CCCCC2)c1 ZINC000013391955 304239900 /nfs/dbraw/zinc/23/99/00/304239900.db2.gz QCFLGBMMSPVGLZ-UHFFFAOYSA-N -2 0 291.303 2.602 40 0 CFABRL O=C([O-])C[C@H](C(=O)[O-])[C@@H]1c2ccccc2-c2ccc(O)cc21 ZINC000096527910 393838401 /nfs/dbraw/zinc/83/84/01/393838401.db2.gz DCCHKRJEZJYBSK-GOEBONIOSA-N -2 0 298.294 2.680 40 0 CFABRL O=C([O-])c1ccc(COc2ccccc2C(=O)[O-])cc1 ZINC000007604088 170293254 /nfs/dbraw/zinc/29/32/54/170293254.db2.gz GIAGPFFWTWZSHL-UHFFFAOYSA-N -2 0 272.256 2.662 40 0 CFABRL O=C([O-])Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000169748335 539730785 /nfs/dbraw/zinc/73/07/85/539730785.db2.gz GTZLXCKTJZVFBT-UHFFFAOYSA-N -2 0 286.283 2.591 40 0 CFABRL O=C([O-])C[C@H]1CCCc2ccccc2[C@@H]1CC(=O)[O-] ZINC000001594173 371684948 /nfs/dbraw/zinc/68/49/48/371684948.db2.gz ZNRBFWUXNNLWLH-DGCLKSJQSA-N -2 0 262.305 2.672 40 0 CFABRL CCC(CCCCc1ccccc1)(C(=O)[O-])C(=O)[O-] ZINC000001734082 371702930 /nfs/dbraw/zinc/70/29/30/371702930.db2.gz OWOXROSOVXRMRV-UHFFFAOYSA-N -2 0 264.321 2.965 40 0 CFABRL O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccccc1[S-] ZINC000004157352 371838850 /nfs/dbraw/zinc/83/88/50/371838850.db2.gz PZWNQZHQVXUAPX-PSJXJDHFSA-N -2 0 291.372 2.661 40 0 CFABRL COc1ccc([N-]C(=S)SCCC(=O)[O-])cc1 ZINC000005639914 170123081 /nfs/dbraw/zinc/12/30/81/170123081.db2.gz JQKOWOSKOHZVFV-UHFFFAOYSA-N -2 0 271.363 2.600 40 0 CFABRL O=C([O-])[C@@H]1[C@@H]2CC/C=C/CC[C@@H]3[C@H](CC[C@@H]21)[C@H]3C(=O)[O-] ZINC000257346770 348306137 /nfs/dbraw/zinc/30/61/37/348306137.db2.gz HTMLAJKVTFEYLT-FFXMUQDNSA-N -2 0 278.348 2.790 40 0 CFABRL O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccccc2[S-])[C@@H]2CC[C@H]1C2 ZINC000004157349 304160123 /nfs/dbraw/zinc/16/01/23/304160123.db2.gz PZWNQZHQVXUAPX-DTVLGXAZSA-N -2 0 291.372 2.661 40 0 CFABRL O=C([O-])CCNc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000000254922 371570017 /nfs/dbraw/zinc/57/00/17/371570017.db2.gz JCJHOGFZDWSUDJ-UHFFFAOYSA-N -2 0 278.091 2.578 40 0 CFABRL O=C([O-])C(CCCCCc1ccccc1)C(=O)[O-] ZINC000001594154 371684611 /nfs/dbraw/zinc/68/46/11/371684611.db2.gz LTJCYSRJKDVQDM-UHFFFAOYSA-N -2 0 250.294 2.575 40 0 CFABRL O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1[S-] ZINC000012563232 371975786 /nfs/dbraw/zinc/97/57/86/371975786.db2.gz PZWNQZHQVXUAPX-FQPOAREZSA-N -2 0 291.372 2.661 40 0 CFABRL O=C([O-])[C@@H]1[C@@H]2CC/C=C/CC[C@H]3[C@@H](CC[C@H]21)[C@H]3C(=O)[O-] ZINC000005360397 304156265 /nfs/dbraw/zinc/15/62/65/304156265.db2.gz HTMLAJKVTFEYLT-VJDFKXAXSA-N -2 0 278.348 2.790 40 0 CFABRL Cc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000001610425 371686661 /nfs/dbraw/zinc/68/66/61/371686661.db2.gz OJQYHAAWIDAJLB-UHFFFAOYSA-N -2 0 284.267 2.622 40 0 CFABRL CCCCCOc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000003155517 371775847 /nfs/dbraw/zinc/77/58/47/371775847.db2.gz YCTDPZDWRAIJDG-CYBMUJFWSA-N -2 0 280.320 2.899 40 0 CFABRL O=C([O-])[C@H]1c2ccccc2-c2ccccc2[C@@H]1C(=O)[O-] ZINC000001651933 304212389 /nfs/dbraw/zinc/21/23/89/304212389.db2.gz GRRHJJGUXVAZHZ-KBPBESRZSA-N -2 0 268.268 2.704 40 0 CFABRL O=C([O-])c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000008418684 304248651 /nfs/dbraw/zinc/24/86/51/304248651.db2.gz JGFIUFCBEWNBDN-UHFFFAOYSA-N -2 0 257.245 2.827 40 0 CFABRL O=C([O-])c1ccc(CNc2cc(C(=O)[O-])ccc2Cl)o1 ZINC000008729684 170350441 /nfs/dbraw/zinc/35/04/41/170350441.db2.gz VYAYOCQWKLABGA-UHFFFAOYSA-N -2 0 295.678 2.942 40 0 CFABRL O=C([O-])c1cc(-c2cccs2)c(C(=O)[O-])s1 ZINC000001734678 304219755 /nfs/dbraw/zinc/21/97/55/304219755.db2.gz QYOWNYLZPXNNHO-UHFFFAOYSA-N -2 0 254.288 2.873 40 0 CFABRL CC(=C/C(=O)[O-])/C(=C/c1ccc2ccccc2n1)C(=O)[O-] ZINC000001216396 277928467 /nfs/dbraw/zinc/92/84/67/277928467.db2.gz KAUVQSBEHWWUGQ-HKICHHIPSA-N -2 0 283.283 2.734 40 0 CFABRL O=C([O-])C(C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000001709157 371700414 /nfs/dbraw/zinc/70/04/14/371700414.db2.gz GVSOIHLBHAKZIV-UHFFFAOYSA-N -2 0 270.284 2.604 40 0 CFABRL O=C([O-])c1cc(Br)c([O-])c(C(F)(F)F)c1 ZINC000169796985 304220802 /nfs/dbraw/zinc/22/08/02/304220802.db2.gz UXQXTXJCABYXBN-UHFFFAOYSA-N -2 0 285.015 2.872 40 0 CFABRL O=C([O-])C[C@H]1CCCc2ccccc2[C@H]1CC(=O)[O-] ZINC000001594174 169721603 /nfs/dbraw/zinc/72/16/03/169721603.db2.gz ZNRBFWUXNNLWLH-YPMHNXCESA-N -2 0 262.305 2.672 40 0 CFABRL O=C([O-])c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000016384570 262024839 /nfs/dbraw/zinc/02/48/39/262024839.db2.gz BXLXRAQDXVEWPD-UHFFFAOYSA-N -2 0 266.636 2.996 40 0 CFABRL CC(C)(C(=O)[O-])c1ccc(C(=O)[O-])c(Br)c1 ZINC000001559245 169713879 /nfs/dbraw/zinc/71/38/79/169713879.db2.gz LUJPPFXHUITBRN-UHFFFAOYSA-N -2 0 287.109 2.510 40 0 CFABRL Cc1c(NCc2ccc(C(=O)[O-])o2)cccc1C(=O)[O-] ZINC000008702256 170347493 /nfs/dbraw/zinc/34/74/93/170347493.db2.gz RXDDTLLFJBKVJP-UHFFFAOYSA-N -2 0 275.260 2.597 40 0 CFABRL Cc1cc(C(=O)[O-])ccc1NCc1ccc(C(=O)[O-])o1 ZINC000008702258 170347627 /nfs/dbraw/zinc/34/76/27/170347627.db2.gz CHJXHOFHRWJCIC-UHFFFAOYSA-N -2 0 275.260 2.597 40 0 CFABRL CC(C)(C)c1cc(C(=O)[O-])n(Cc2ccc(C(=O)[O-])o2)c1 ZINC000078404948 177338622 /nfs/dbraw/zinc/33/86/22/177338622.db2.gz LXPBDJDDWRYKOJ-UHFFFAOYSA-N -2 0 291.303 2.823 40 0 CFABRL O=C([O-])CCCCn1cc(C(=O)[O-])c2ccccc21 ZINC000095726656 347698347 /nfs/dbraw/zinc/69/83/47/347698347.db2.gz VCBRLAVKGLDFSD-UHFFFAOYSA-N -2 0 261.277 2.594 40 0 in-vitro CFABRL O=C([O-])C(=Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000001871093 371709685 /nfs/dbraw/zinc/70/96/85/371709685.db2.gz VUKIGYZXHRSZFY-UHFFFAOYSA-N -2 0 268.268 2.906 40 0 in-vitro CFABRL C[C@H](SCCCCCCS[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC000001584698 371682522 /nfs/dbraw/zinc/68/25/22/371682522.db2.gz CAIXSTCCQVKWNK-UWVGGRQHSA-N -2 0 294.438 2.959 40 0 CFABRL O=C([O-])C(=Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000001688741 371698910 /nfs/dbraw/zinc/69/89/10/371698910.db2.gz BLIKSCFFDFQFKZ-UHFFFAOYSA-N -2 0 261.060 2.546 40 0 CFABRL O=C([O-])c1ccc(N[P@@](=O)([O-])Oc2ccccc2)cc1 ZINC000001712119 371701613 /nfs/dbraw/zinc/70/16/13/371701613.db2.gz DJGZHCIJZUCHTF-UHFFFAOYSA-N -2 0 293.215 2.976 40 0 CFABRL O=C([O-])c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000685937834 545576015 /nfs/dbraw/zinc/57/60/15/545576015.db2.gz VOAQOJVKZLWMSJ-UHFFFAOYSA-N -2 0 266.636 2.996 40 0 CFABRL O=C([O-])c1cccc(Cc2cccc(C(=O)[O-])c2)c1 ZINC000001733828 169752365 /nfs/dbraw/zinc/75/23/65/169752365.db2.gz RBQRPOWGQURLEU-UHFFFAOYSA-N -2 0 256.257 2.674 40 0 CFABRL O=C([O-])c1ccc2c(c1C(=O)[O-])[C@H]1C=C[C@H]3C=C[C@H]2[C@H]31 ZINC000045070799 373014950 /nfs/dbraw/zinc/01/49/50/373014950.db2.gz GJAIABJXCAUQMR-LBRZWBMMSA-N -2 0 268.268 2.636 40 0 CFABRL O=C([O-])Cc1c(O)c(Cl)c(Cl)c([O-])c1Cl ZINC000033825195 304087888 /nfs/dbraw/zinc/08/78/88/304087888.db2.gz FTKJYNZDVGTEOJ-UHFFFAOYSA-N -2 0 271.483 2.685 40 0 CFABRL CC(C)=C[C@H]1C=C(C)[C@@H](C)[C@H](C(=O)[O-])[C@@H]1C(=O)[O-] ZINC000101245267 375635246 /nfs/dbraw/zinc/63/52/46/375635246.db2.gz YBNXSKCLVOXLPW-NOOOWODRSA-N -2 0 252.310 2.566 40 0 CFABRL O=C([O-])[C@H]1c2ccccc2-c2ccccc2[C@H]1C(=O)[O-] ZINC000006252630 304212392 /nfs/dbraw/zinc/21/23/92/304212392.db2.gz GRRHJJGUXVAZHZ-OKILXGFUSA-N -2 0 268.268 2.704 40 0 CFABRL Cc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1C(=O)[O-] ZINC000004907257 170039793 /nfs/dbraw/zinc/03/97/93/170039793.db2.gz XIGDNVRNFGGAMH-UHFFFAOYSA-N -2 0 299.282 2.644 40 0 CFABRL O=C([O-])c1ccc(COc2cccc(C(=O)[O-])c2)cc1 ZINC000007604108 170293069 /nfs/dbraw/zinc/29/30/69/170293069.db2.gz SHHHIVVLIMEDFD-UHFFFAOYSA-N -2 0 272.256 2.662 40 0 CFABRL O=C([O-])[C@@H]1[C@@H]2CC/C=C/CC[C@@H]3[C@H](CC[C@H]21)[C@H]3C(=O)[O-] ZINC000016248995 304156124 /nfs/dbraw/zinc/15/61/24/304156124.db2.gz HTMLAJKVTFEYLT-RGLVCJILSA-N -2 0 278.348 2.790 40 0 CFABRL O=C([O-])C[C@@H](C(=O)[O-])[C@@H]1c2ccccc2-c2ccc(O)cc21 ZINC000096527906 393837865 /nfs/dbraw/zinc/83/78/65/393837865.db2.gz DCCHKRJEZJYBSK-GDBMZVCRSA-N -2 0 298.294 2.680 40 0 CFABRL O=C([O-])c1ccc(-c2cc(Cl)ccc2C(=O)[O-])o1 ZINC000059597076 262389325 /nfs/dbraw/zinc/38/93/25/262389325.db2.gz UMWUUQPWBFXAFX-UHFFFAOYSA-N -2 0 266.636 2.996 40 0 CFABRL CCc1ccc(C(C)(C)[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000001571208 371681634 /nfs/dbraw/zinc/68/16/34/371681634.db2.gz YOIMXRLWYNJPDF-GFCCVEGCSA-N -2 0 264.321 2.702 40 0 CFABRL O=C([O-])C(Cc1cccs1)(Cc1cccs1)C(=O)[O-] ZINC000001593046 371685199 /nfs/dbraw/zinc/68/51/99/371685199.db2.gz KWTRGVJNRUADEC-UHFFFAOYSA-N -2 0 296.369 2.750 40 0 CFABRL S=C([S-])OCCCCCOC(=S)[S-] ZINC000016136325 372099285 /nfs/dbraw/zinc/09/92/85/372099285.db2.gz SGLDDLDXUSBLCQ-UHFFFAOYSA-N -2 0 256.439 2.619 40 0 CFABRL O=C([O-])c1ccc2c(c1C(=O)[O-])[C@H]1C=C[C@H]3C=C[C@@H]2[C@H]31 ZINC000045070801 373014614 /nfs/dbraw/zinc/01/46/14/373014614.db2.gz GJAIABJXCAUQMR-SZDPWXCGSA-N -2 0 268.268 2.636 40 0 CFABRL O=C([O-])C[C@@H]1CCCc2ccccc2[C@H]1CC(=O)[O-] ZINC000005699735 170130384 /nfs/dbraw/zinc/13/03/84/170130384.db2.gz ZNRBFWUXNNLWLH-AAEUAGOBSA-N -2 0 262.305 2.672 40 0 CFABRL O=C(c1ccccc1)[C@H](OP(=O)([O-])[O-])c1ccccc1 ZINC000006582056 170215820 /nfs/dbraw/zinc/21/58/20/170215820.db2.gz 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371732025 /nfs/dbraw/zinc/73/20/25/371732025.db2.gz IUVPKFJCXNRPIJ-UHFFFAOYSA-N -2 0 272.256 2.662 40 0 CFABRL O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccccc1[S-] ZINC000102066312 304210666 /nfs/dbraw/zinc/21/06/66/304210666.db2.gz PZWNQZHQVXUAPX-ZFWZSOMGSA-N -2 0 291.372 2.661 40 0 CFABRL O=C([O-])CC1=C(CC(=O)[O-])c2ccccc2CCC1 ZINC000005699729 304044100 /nfs/dbraw/zinc/04/41/00/304044100.db2.gz DSBCSPRQHLEMRA-UHFFFAOYSA-N -2 0 260.289 2.726 40 0 CFABRL CC(Cc1cccc2ccccc21)(C(=O)[O-])C(=O)[O-] ZINC000001577308 371682736 /nfs/dbraw/zinc/68/27/36/371682736.db2.gz LOOMLJQVFZAXDN-UHFFFAOYSA-N -2 0 258.273 2.558 40 0 CFABRL O=C([O-])C[C@H](C(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000001733717 371703185 /nfs/dbraw/zinc/70/31/85/371703185.db2.gz HGTCLOVEROWTJE-AWEZNQCLSA-N -2 0 282.295 2.974 40 0 in-vitro CFABRL O=C([O-])[C@H]1[C@H](c2ccccc2)[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000100985737 375632304 /nfs/dbraw/zinc/63/23/04/375632304.db2.gz QWFRRFLKWRIKSZ-SYMSYNOKSA-N -2 0 296.322 2.969 40 0 CFABRL Cc1oc(C)c(C(=O)[O-])c1COc1ccccc1C(=O)[O-] ZINC000004713641 170003855 /nfs/dbraw/zinc/00/38/55/170003855.db2.gz XBEWKMLRXDLXCW-UHFFFAOYSA-N -2 0 290.271 2.872 40 0 CFABRL O=C([O-])[C@@H]1c2ccccc2-c2ccccc2[C@H]1C(=O)[O-] ZINC000004748125 304162427 /nfs/dbraw/zinc/16/24/27/304162427.db2.gz GRRHJJGUXVAZHZ-ZIAGYGMSSA-N -2 0 268.268 2.704 40 0 CFABRL CC(C)=C[C@@H]1C=C(C)[C@@H](C)[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-] ZINC000004023367 371829607 /nfs/dbraw/zinc/82/96/07/371829607.db2.gz YBNXSKCLVOXLPW-DDHJBXDOSA-N -2 0 252.310 2.566 40 0 CFABRL Cc1ccc(Oc2ccc(C)cc2P(=O)([O-])[O-])cc1 ZINC000001870304 371710089 /nfs/dbraw/zinc/71/00/89/371710089.db2.gz DDYAPAJXOFWKJQ-UHFFFAOYSA-N -2 0 278.244 2.899 40 0 CFABRL CCOc1ccc([N-]C(=S)SCC(=O)[O-])cc1 ZINC000006870395 260024106 /nfs/dbraw/zinc/02/41/06/260024106.db2.gz NNXMCIXLKKTFSY-UHFFFAOYSA-N -2 0 271.363 2.600 40 0 CFABRL O=C([O-])C[C@H](C(=O)[O-])[C@H]1c2ccccc2-c2ccc(O)cc21 ZINC000096527912 393837762 /nfs/dbraw/zinc/83/77/62/393837762.db2.gz DCCHKRJEZJYBSK-HOCLYGCPSA-N -2 0 298.294 2.680 40 0 CFABRL O=C([O-])c1ccccc1C[C@H](Cc1ccccc1)C(=O)[O-] ZINC000003592839 169900053 /nfs/dbraw/zinc/90/00/53/169900053.db2.gz SKQTVKKGTTXHSL-AWEZNQCLSA-N -2 0 284.311 2.871 40 0 CFABRL C[C@@H](SCCCCCCS[C@H](C)C(=O)[O-])C(=O)[O-] ZINC000001584701 371682558 /nfs/dbraw/zinc/68/25/58/371682558.db2.gz CAIXSTCCQVKWNK-NXEZZACHSA-N -2 0 294.438 2.959 40 0 CFABRL Cc1ccc(C(=O)[O-])cc1NCc1ccc(C(=O)[O-])o1 ZINC000008702260 170347491 /nfs/dbraw/zinc/34/74/91/170347491.db2.gz LFJIKCKMTWWIQD-UHFFFAOYSA-N -2 0 275.260 2.597 40 0 CFABRL COc1cccc(C(=O)[O-])c1Nc1ccccc1C(=O)[O-] ZINC000022006227 295289023 /nfs/dbraw/zinc/28/90/23/295289023.db2.gz DKEZEKVCLYBJFE-UHFFFAOYSA-N -2 0 287.271 2.835 40 0 in-vitro CFABRL O=C([O-])[C@@H]1[C@H]2CC/C=C/CC[C@H]3[C@@H](CC[C@H]12)[C@H]3C(=O)[O-] ZINC000104658342 304160676 /nfs/dbraw/zinc/16/06/76/304160676.db2.gz HTMLAJKVTFEYLT-WOEDRQJRSA-N -2 0 278.348 2.790 40 0 CFABRL CCCCCOc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000003155518 371776282 /nfs/dbraw/zinc/77/62/82/371776282.db2.gz YCTDPZDWRAIJDG-ZDUSSCGKSA-N -2 0 280.320 2.899 40 0 CFABRL O=C([O-])c1ccc(Nc2ccccc2C(=O)[O-])cc1 ZINC000003631865 304248829 /nfs/dbraw/zinc/24/88/29/304248829.db2.gz GWHPRNJPEJWLMA-UHFFFAOYSA-N -2 0 257.245 2.827 40 0 CFABRL CCc1cc(C)n(Cc2ccc(C(=O)[O-])cc2)c1C(=O)[O-] ZINC000078405408 177338399 /nfs/dbraw/zinc/33/83/99/177338399.db2.gz PGVHWOUVIYCBCA-UHFFFAOYSA-N -2 0 287.315 2.804 40 0 CFABRL Cc1nc(C)c(C(=O)[O-])c(-c2ccccc2)c1C(=O)[O-] ZINC000001556294 302571818 /nfs/dbraw/zinc/57/18/18/302571818.db2.gz SWCAUWOTAMMLMS-UHFFFAOYSA-N -2 0 271.272 2.762 40 0 CFABRL C[C@@H](SCCCCCCS[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC000001584699 371683431 /nfs/dbraw/zinc/68/34/31/371683431.db2.gz CAIXSTCCQVKWNK-AOOOYVTPSA-N -2 0 294.438 2.959 40 0 CFABRL O=C([O-])c1cccc(Oc2ccccc2C(=O)[O-])c1 ZINC000001685962 371698402 /nfs/dbraw/zinc/69/84/02/371698402.db2.gz JFKBSTBGBNNSMV-UHFFFAOYSA-N -2 0 258.229 2.875 40 0 CFABRL O=C([O-])c1ccc2oc(-c3cccc(C(=O)[O-])c3)nc2c1 ZINC000020158792 304254967 /nfs/dbraw/zinc/25/49/67/304254967.db2.gz WRJDBTHFPVBVBT-UHFFFAOYSA-N -2 0 283.239 2.891 40 0 CFABRL O=C([O-])C[C@H]1c2ccccc2CCC[C@H]1CC(=O)[O-] ZINC000001594171 169721417 /nfs/dbraw/zinc/72/14/17/169721417.db2.gz ZNRBFWUXNNLWLH-WCQYABFASA-N -2 0 262.305 2.672 40 0 CFABRL CC(C)(C)c1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000041305553 393545823 /nfs/dbraw/zinc/54/58/23/393545823.db2.gz JZHIQBGRSFYULH-LLVKDONJSA-N -2 0 250.294 2.627 40 0 CFABRL