smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Nc2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000082716195 178230603 /nfs/dbraw/zinc/23/06/03/178230603.db2.gz RUKRFIOPZLXYAZ-UHFFFAOYSA-N -1 0 255.317 4.054 10 0 CIAERM CCSc1ccc([C@H](CC(=O)[O-])C2CCC2)cc1 ZINC000096890929 185123625 /nfs/dbraw/zinc/12/36/25/185123625.db2.gz NLUGGLBXLNGYFD-CQSZACIVSA-N -1 0 264.390 4.157 10 0 CIAERM CC(C)(C)c1ccc(-c2ccccc2)cc1C(=O)[O-] ZINC000085483144 179080297 /nfs/dbraw/zinc/08/02/97/179080297.db2.gz BOPDISHICLITKG-UHFFFAOYSA-N -1 0 254.329 4.349 10 0 CIAERM O=C([O-])c1cc2c(cc(Br)cc2Cl)s1 ZINC000090548816 180001635 /nfs/dbraw/zinc/00/16/35/180001635.db2.gz SSCDZZXTQACMKN-UHFFFAOYSA-N -1 0 291.553 4.015 10 0 CIAERM CC1(CNc2cc(Cl)ccc2C(=O)[O-])CCCC1 ZINC000104437755 186002351 /nfs/dbraw/zinc/00/23/51/186002351.db2.gz JUQGDBCNSQHBDU-UHFFFAOYSA-N -1 0 267.756 4.030 10 0 CIAERM CCCc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000091365485 180142231 /nfs/dbraw/zinc/14/22/31/180142231.db2.gz AZYZKYPDALLVOK-UHFFFAOYSA-N -1 0 258.292 4.143 10 0 CIAERM C[C@@H]1CC=CC[C@@H]1COc1ccc(Cl)cc1C(=O)[O-] ZINC000109998583 186282103 /nfs/dbraw/zinc/28/21/03/186282103.db2.gz NDKCCYDUWRWJFD-GHMZBOCLSA-N -1 0 280.751 4.019 10 0 CIAERM C[C@@H]1CCCC[C@H]1CNc1ccc(Cl)cc1C(=O)[O-] ZINC000110449850 186297214 /nfs/dbraw/zinc/29/72/14/186297214.db2.gz LKQFNYLLOOQOSA-MNOVXSKESA-N -1 0 281.783 4.276 10 0 CIAERM O=C([O-])Cc1cc2ccccc2cc1-c1ccccc1 ZINC000169315489 188656903 /nfs/dbraw/zinc/65/69/03/188656903.db2.gz CAUNPYUXPYGZJQ-UHFFFAOYSA-N -1 0 262.308 4.134 10 0 CIAERM Cc1ccc(Cn2cc(CCC(=O)[O-])c3ccccc32)cc1 ZINC000000259640 169589915 /nfs/dbraw/zinc/58/99/15/169589915.db2.gz GFOFFFDMVLVPGW-UHFFFAOYSA-N -1 0 293.366 4.015 10 0 CIAERM CC(C)c1cc2ccccc2c(S(=O)(=O)[O-])c1C(C)C ZINC000003630759 169905022 /nfs/dbraw/zinc/90/50/22/169905022.db2.gz LWEAHXKXKDCSIE-UHFFFAOYSA-N -1 0 292.400 4.333 10 0 CIAERM Cc1ccc(-c2cc(C(=O)[O-])nc(-c3ccccc3)c2)cc1 ZINC000005416982 170096676 /nfs/dbraw/zinc/09/66/76/170096676.db2.gz LOAOIYXISYOCPW-UHFFFAOYSA-N -1 0 289.334 4.422 10 0 CIAERM CC(C)(C)c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000005592309 170116894 /nfs/dbraw/zinc/11/68/94/170116894.db2.gz KNILKKHFMQNGFH-UHFFFAOYSA-N -1 0 284.355 4.261 10 0 CIAERM CC(C)c1cc(C(=O)[O-])c2cc(C(F)(F)F)ccc2n1 ZINC000006833273 170247832 /nfs/dbraw/zinc/24/78/32/170247832.db2.gz DJCUQQIWBSXPLR-UHFFFAOYSA-N -1 0 283.249 4.075 10 0 CIAERM CC(C)(C)CC(C)(C)n1c(=O)c2ccccc2[n-]c1=S ZINC000007045569 170263719 /nfs/dbraw/zinc/26/37/19/170263719.db2.gz QJZKMEMUEGBZRM-UHFFFAOYSA-N -1 0 290.432 4.230 10 0 CIAERM CCCCCSc1ccc(/C=C/C(=O)[O-])s1 ZINC000007261549 170273687 /nfs/dbraw/zinc/27/36/87/170273687.db2.gz WUXCJFKAWMDCBQ-FNORWQNLSA-N -1 0 256.392 4.128 10 0 CIAERM Cc1nc(Nc2c(C)cccc2C(C)C)sc1C(=O)[O-] ZINC000008024611 170314506 /nfs/dbraw/zinc/31/45/06/170314506.db2.gz YMDGCHQSPYSZEN-UHFFFAOYSA-N -1 0 290.388 4.325 10 0 CIAERM Cc1ccc(SCc2ccccc2C(=O)[O-])c(C)c1 ZINC000011948207 170460684 /nfs/dbraw/zinc/46/06/84/170460684.db2.gz FLKFSYUZHRSBJU-UHFFFAOYSA-N -1 0 272.369 4.294 10 0 CIAERM O=C([O-])c1cc(Cl)ccc1OCCCc1ccccc1 ZINC000011959760 170462557 /nfs/dbraw/zinc/46/25/57/170462557.db2.gz CTAUMUIXEHCJNP-UHFFFAOYSA-N -1 0 290.746 4.050 10 0 CIAERM Cc1ccc(C)c(COc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000013085103 170531089 /nfs/dbraw/zinc/53/10/89/170531089.db2.gz NOKPQKZRGCHNKF-UHFFFAOYSA-N -1 0 290.746 4.234 10 0 CIAERM O=C([O-])c1c2ccccc2nc2c1CSc1ccccc1-2 ZINC000020080931 170985823 /nfs/dbraw/zinc/98/58/23/170985823.db2.gz SVPVNSJBDYKOQX-UHFFFAOYSA-N -1 0 293.347 4.206 10 0 CIAERM CC[C@H](C)c1ccc(C(F)(F)CCC(=O)[O-])cc1 ZINC000020217879 171081082 /nfs/dbraw/zinc/08/10/82/171081082.db2.gz KMGDXUIHQGVVQA-JTQLQIEISA-N -1 0 256.292 4.157 10 0 CIAERM O=C([O-])[C@H](Nc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000020271931 171126935 /nfs/dbraw/zinc/12/69/35/171126935.db2.gz KMAJRDDAYNNHDG-CYBMUJFWSA-N -1 0 296.153 4.231 10 0 CIAERM Cc1ccc(NC(=O)c2ccc(Cl)cc2[O-])c(Cl)c1 ZINC000020363027 171161817 /nfs/dbraw/zinc/16/18/17/171161817.db2.gz YYUJFOLPXZVSLT-UHFFFAOYSA-N -1 0 296.153 4.260 10 0 CIAERM Cc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000020363022 171161908 /nfs/dbraw/zinc/16/19/08/171161908.db2.gz STPQHYOXORFMMU-UHFFFAOYSA-N -1 0 296.153 4.260 10 0 CIAERM CC(C)(C)C(=O)C=C([O-])c1ccc2ccccc2c1 ZINC000020375723 171171326 /nfs/dbraw/zinc/17/13/26/171171326.db2.gz VTNRVVZRCRYXHG-UHFFFAOYSA-N -1 0 254.329 4.028 10 0 CIAERM O=C([O-])c1ccc(CSc2ccc(Cl)cc2)s1 ZINC000020395467 171180907 /nfs/dbraw/zinc/18/09/07/171180907.db2.gz VFHTZWRUHNNFCJ-UHFFFAOYSA-N -1 0 284.789 4.392 10 0 CIAERM COc1ccc(Cl)cc1C1(C(=O)[O-])CCCCCC1 ZINC000020429464 171194648 /nfs/dbraw/zinc/19/46/48/171194648.db2.gz SFBANOLPHSCYHQ-UHFFFAOYSA-N -1 0 282.767 4.025 10 0 CIAERM O=C([O-])/C=C/c1ccc(OCc2ccc(Cl)s2)cc1 ZINC000020526489 171239869 /nfs/dbraw/zinc/23/98/69/171239869.db2.gz IYNPGGVQJXRCBS-FPYGCLRLSA-N -1 0 294.759 4.078 10 0 CIAERM CC[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1C(=O)[O-] ZINC000020548521 171245996 /nfs/dbraw/zinc/24/59/96/171245996.db2.gz RBCQHWHOGSOIQG-ZYHUDNBSSA-N -1 0 282.767 4.386 10 0 CIAERM Cc1ccc(Oc2cccc(Cl)c2C(=O)[O-])c(C)c1 ZINC000020549126 171246177 /nfs/dbraw/zinc/24/61/77/171246177.db2.gz VRPIGTXQLUMXOE-UHFFFAOYSA-N -1 0 276.719 4.447 10 0 CIAERM CC(C)c1ccc(Nc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC000020564734 171253326 /nfs/dbraw/zinc/25/33/26/171253326.db2.gz AQDLAJSUDXBSBD-UHFFFAOYSA-N -1 0 290.750 4.300 10 0 CIAERM CC(C)c1n[n-]c(=S)n1-c1ccc(C(C)C)cc1 ZINC000020588872 171260595 /nfs/dbraw/zinc/26/05/95/171260595.db2.gz ADHVFZYTXAYUMV-UHFFFAOYSA-N -1 0 261.394 4.177 10 0 CIAERM CCc1ccc(CNc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000020881135 171277586 /nfs/dbraw/zinc/27/75/86/171277586.db2.gz BZNZETAFNHKVIV-UHFFFAOYSA-N -1 0 289.762 4.213 10 0 CIAERM CC(C)c1ccc(Sc2ccc(C(=O)[O-])cn2)cc1 ZINC000021518203 171314599 /nfs/dbraw/zinc/31/45/99/171314599.db2.gz FSCIONJKUCXNCO-UHFFFAOYSA-N -1 0 273.357 4.054 10 0 CIAERM CC[C@H](C)c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000021520179 171315547 /nfs/dbraw/zinc/31/55/47/171315547.db2.gz HWWSLGQBPLCSFA-ZDUSSCGKSA-N -1 0 284.355 4.477 10 0 CIAERM CC(/C=C/C=C(\C)COc1ccc(F)cc1C)=C\C(=O)[O-] ZINC000029563859 171603710 /nfs/dbraw/zinc/60/37/10/171603710.db2.gz PMJNZLWSQZJNHJ-QPCGNHOSSA-N -1 0 290.334 4.046 10 0 CIAERM CC(C)(C)c1ccc(-c2cc(C(=O)[O-])ccc2F)cc1 ZINC000032003868 171683536 /nfs/dbraw/zinc/68/35/36/171683536.db2.gz KCGXQRHUSXSIJB-UHFFFAOYSA-N -1 0 272.319 4.488 10 0 CIAERM Cc1ccc(C(F)(F)CCCCC(=O)[O-])c(C)c1 ZINC000035324627 172126925 /nfs/dbraw/zinc/12/69/25/172126925.db2.gz UXGXRHJRALVDNA-UHFFFAOYSA-N -1 0 256.292 4.040 10 0 CIAERM COc1ccc(C(F)(F)CCCCC(=O)[O-])cc1Cl ZINC000035324694 172126988 /nfs/dbraw/zinc/12/69/88/172126988.db2.gz JFZXMZAUBKCFBU-UHFFFAOYSA-N -1 0 292.709 4.085 10 0 CIAERM CC[C@H](C)Oc1c(Cl)cc(Cl)cc1/C=C/C(=O)[O-] ZINC000035662876 172340830 /nfs/dbraw/zinc/34/08/30/172340830.db2.gz MRANGTBSVNRMSM-ZJELKQJVSA-N -1 0 289.158 4.269 10 0 CIAERM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cccc(Cl)c2s1 ZINC000037195288 173023741 /nfs/dbraw/zinc/02/37/41/173023741.db2.gz OBFDLCQSBLVGSK-DTWKUNHWSA-N -1 0 295.791 4.308 10 0 CIAERM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cccc(Cl)c2s1 ZINC000037195285 173024097 /nfs/dbraw/zinc/02/40/97/173024097.db2.gz OBFDLCQSBLVGSK-BDAKNGLRSA-N -1 0 295.791 4.308 10 0 CIAERM O=C([O-])c1ccc(NCc2cccc(C(F)(F)F)c2)cc1 ZINC000037307720 173110800 /nfs/dbraw/zinc/11/08/00/173110800.db2.gz WSRUEKUEPLLCTL-UHFFFAOYSA-N -1 0 295.260 4.016 10 0 CIAERM CC(C)c1nn(-c2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000037311593 173113567 /nfs/dbraw/zinc/11/35/67/173113567.db2.gz ILGCSQWWYWRKJC-UHFFFAOYSA-N -1 0 299.157 4.001 10 0 CIAERM Cc1ccc(Nc2cc(C(=O)[O-])cc(Cl)n2)cc1Cl ZINC000037373841 173163696 /nfs/dbraw/zinc/16/36/96/173163696.db2.gz GYNLHRLCSLNWHT-UHFFFAOYSA-N -1 0 297.141 4.139 10 0 CIAERM CCCCC[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000037528321 173252525 /nfs/dbraw/zinc/25/25/25/173252525.db2.gz XAQAHKKFFDFULD-LBPRGKRZSA-N -1 0 254.757 4.164 10 0 CIAERM O=C([O-])[C@@H](Nc1ccccc1Cl)c1ccccc1Cl ZINC000037955051 173896697 /nfs/dbraw/zinc/89/66/97/173896697.db2.gz ZHYKYWSEZXUBAU-ZDUSSCGKSA-N -1 0 296.153 4.231 10 0 CIAERM O=C([O-])[C@H](Nc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000037955028 173896820 /nfs/dbraw/zinc/89/68/20/173896820.db2.gz RIKBKODDRCRVRD-CYBMUJFWSA-N -1 0 296.153 4.231 10 0 CIAERM CC(C)c1ccc(-c2ccc(F)cc2C(=O)[O-])cc1 ZINC000038068897 174080354 /nfs/dbraw/zinc/08/03/54/174080354.db2.gz LENBVNCJJPKYFT-UHFFFAOYSA-N -1 0 258.292 4.314 10 0 CIAERM COc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000038068245 174080413 /nfs/dbraw/zinc/08/04/13/174080413.db2.gz PVYIBPKRXSFPEP-UHFFFAOYSA-N -1 0 296.244 4.079 10 0 CIAERM COc1ccc(-c2cc(Cl)ccc2Cl)c(C(=O)[O-])c1 ZINC000038068248 174080527 /nfs/dbraw/zinc/08/05/27/174080527.db2.gz QFLKBVBGDMBFLZ-UHFFFAOYSA-N -1 0 297.137 4.367 10 0 CIAERM O=C([O-])c1ccc(SCCSc2ccccc2)cc1 ZINC000038078688 174088963 /nfs/dbraw/zinc/08/89/63/174088963.db2.gz SKXIXKBSYNNBJH-UHFFFAOYSA-N -1 0 290.409 4.269 10 0 CIAERM O=C([O-])c1ccc(CNc2ccccc2C(F)(F)F)cc1 ZINC000038341441 174139926 /nfs/dbraw/zinc/13/99/26/174139926.db2.gz DRZZJUJLIWAHCJ-UHFFFAOYSA-N -1 0 295.260 4.016 10 0 CIAERM O=C([O-])c1cc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000039155328 174164849 /nfs/dbraw/zinc/16/48/49/174164849.db2.gz ZKLFRWIEGLBBEE-UHFFFAOYSA-N -1 0 285.730 4.041 10 0 CIAERM CC(C)C[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000040377690 174249005 /nfs/dbraw/zinc/24/90/05/174249005.db2.gz CMCXRYBFMUZFRX-JTQLQIEISA-N -1 0 275.175 4.283 10 0 CIAERM CC(C)n1c2ccc(C(=O)[O-])cc2nc1C1CCCCC1 ZINC000040417327 174256146 /nfs/dbraw/zinc/25/61/46/174256146.db2.gz VIRGQGRWROCSIX-UHFFFAOYSA-N -1 0 286.375 4.363 10 0 CIAERM O=C([O-])c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000040541648 174322710 /nfs/dbraw/zinc/32/27/10/174322710.db2.gz QGNFGIFJZOBJHZ-UHFFFAOYSA-N -1 0 270.762 4.251 10 0 CIAERM COc1ccc(/C(C)=C/CCC(=O)[O-])cc1C(C)C ZINC000041353695 174532017 /nfs/dbraw/zinc/53/20/17/174532017.db2.gz KNQTTXXLESVFIA-WUXMJOGZSA-N -1 0 262.349 4.087 10 0 CIAERM Cc1nc(-c2ccc(CC(C)C)cc2)sc1C(=O)[O-] ZINC000041413245 174549683 /nfs/dbraw/zinc/54/96/83/174549683.db2.gz WZZIQQKDFBSZJL-UHFFFAOYSA-N -1 0 275.373 4.015 10 0 CIAERM CC(C)(CCCOc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000041478348 174559265 /nfs/dbraw/zinc/55/92/65/174559265.db2.gz ITHUGMGCMNCQJD-UHFFFAOYSA-N -1 0 291.174 4.263 10 0 CIAERM CCSc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000065353951 175720117 /nfs/dbraw/zinc/72/01/17/175720117.db2.gz QUWNBTRMEIAHJK-UHFFFAOYSA-N -1 0 276.332 4.303 10 0 CIAERM COc1cc(C(=O)[O-])cc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000065354322 175720678 /nfs/dbraw/zinc/72/06/78/175720678.db2.gz BSZURQFNJNPMJT-UHFFFAOYSA-N -1 0 297.137 4.367 10 0 CIAERM O=C([O-])c1ccc(-c2ccc(Cl)cc2Cl)c(O)c1 ZINC000065354277 175720744 /nfs/dbraw/zinc/72/07/44/175720744.db2.gz FRCBMFHAHSWJJJ-UHFFFAOYSA-N -1 0 283.110 4.064 10 0 CIAERM COc1cc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)[O-] ZINC000065354323 175720756 /nfs/dbraw/zinc/72/07/56/175720756.db2.gz LBJZSLVJSXQEPW-UHFFFAOYSA-N -1 0 297.137 4.367 10 0 CIAERM CC(C)/C(=C\CCCC(=O)[O-])c1ccc(F)cc1 ZINC000071572178 176198165 /nfs/dbraw/zinc/19/81/65/176198165.db2.gz ABVLJFMFNBDJMA-LHHJGKSTSA-N -1 0 250.313 4.120 10 0 CIAERM CC(C)[C@@H](CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000071576086 176203925 /nfs/dbraw/zinc/20/39/25/176203925.db2.gz SVNAELHFEZGRPW-CYBMUJFWSA-N -1 0 254.757 4.335 10 0 CIAERM CC(C)[C@@H](CCCC(=O)[O-])c1c[nH]c2ccccc21 ZINC000071585405 176210876 /nfs/dbraw/zinc/21/08/76/176210876.db2.gz UQXZWKZKHBGPIY-GFCCVEGCSA-N -1 0 259.349 4.162 10 0 CIAERM CCCCc1ccc(CC2(C(=O)[O-])CCCC2)cc1 ZINC000071586677 176212973 /nfs/dbraw/zinc/21/29/73/176212973.db2.gz AWCLRDLKQKUFDJ-UHFFFAOYSA-N -1 0 260.377 4.217 10 0 CIAERM CC(C)Cc1ccc([C@H](CC(=O)[O-])C2CCC2)cc1 ZINC000071586688 176213014 /nfs/dbraw/zinc/21/30/14/176213014.db2.gz IGLOVUASCGTFAF-MRXNPFEDSA-N -1 0 260.377 4.244 10 0 CIAERM CC(C)[C@@H](CCCC(=O)[O-])c1ccc2c(c1)CCC2 ZINC000071586681 176213186 /nfs/dbraw/zinc/21/31/86/176213186.db2.gz BUBYBOVQSQAWRA-MRXNPFEDSA-N -1 0 260.377 4.170 10 0 CIAERM COc1cc(C(C)C)ccc1[C@@H](CC(=O)[O-])C(C)C ZINC000071596925 176219944 /nfs/dbraw/zinc/21/99/44/176219944.db2.gz UJWXRUNVCGGWDJ-AWEZNQCLSA-N -1 0 264.365 4.033 10 0 CIAERM COc1cc(C(C)C)ccc1[C@H](CC(=O)[O-])C(C)C ZINC000071596926 176220261 /nfs/dbraw/zinc/22/02/61/176220261.db2.gz UJWXRUNVCGGWDJ-CQSZACIVSA-N -1 0 264.365 4.033 10 0 CIAERM O=C([O-])C1(c2cccc(Cl)c2)CC2(C1)CCCC2 ZINC000076369963 177007074 /nfs/dbraw/zinc/00/70/74/177007074.db2.gz RULBPWQMOUJFJI-UHFFFAOYSA-N -1 0 264.752 4.017 10 0 CIAERM C[C@H]1CCC[C@@]1(C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000076416387 177021815 /nfs/dbraw/zinc/02/18/15/177021815.db2.gz CAXSSCSEOZUDEU-SDBXPKJASA-N -1 0 273.159 4.136 10 0 CIAERM CC[C@H](CC(=O)[O-])c1ccc(SC(C)C)cc1 ZINC000076656827 177045823 /nfs/dbraw/zinc/04/58/23/177045823.db2.gz TXIFKVYECAFYAD-LLVKDONJSA-N -1 0 252.379 4.155 10 0 CIAERM Cc1cc([C@H](CC(=O)[O-])CC(C)C)c(C)n1C(C)C ZINC000076681755 177058751 /nfs/dbraw/zinc/05/87/51/177058751.db2.gz UDWDFRHAZLHBHZ-AWEZNQCLSA-N -1 0 265.397 4.290 10 0 CIAERM CC[C@@H](CC(=O)[O-])c1ccc(OC(C)C)c(Cl)c1 ZINC000076710636 177067927 /nfs/dbraw/zinc/06/79/27/177067927.db2.gz GUPZLYDCWJBFAE-JTQLQIEISA-N -1 0 270.756 4.096 10 0 CIAERM COc1ccc2c(C)c([C@@H](C)C(=O)[O-])c(C(C)C)cc2c1 ZINC000077301483 177250815 /nfs/dbraw/zinc/25/08/15/177250815.db2.gz HQVXLTFGFKANHP-GFCCVEGCSA-N -1 0 286.371 4.468 10 0 in-vitro CIAERM CC(C)c1nc(C2CCC(C)(C)CC2)oc1C(=O)[O-] ZINC000536952645 330382637 /nfs/dbraw/zinc/38/26/37/330382637.db2.gz CWDYATRCZBVZCD-UHFFFAOYSA-N -1 0 265.353 4.180 10 0 CIAERM C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000230176255 333315715 /nfs/dbraw/zinc/31/57/15/333315715.db2.gz ITKOFIBOTWSLPU-APPZFPTMSA-N -1 0 288.174 4.074 10 0 CIAERM CCCc1nc(-c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000041438513 517619550 /nfs/dbraw/zinc/61/95/50/517619550.db2.gz DRZHXPSEEWCZSL-UHFFFAOYSA-N -1 0 281.764 4.114 10 0 CIAERM CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H](SCC(C)C)C1 ZINC000062765689 520829535 /nfs/dbraw/zinc/82/95/35/520829535.db2.gz ZRJXWEXTFWUSCR-FRRDWIJNSA-N -1 0 258.427 4.045 10 0 CIAERM CCC[C@@](C)(Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000054632644 520915457 /nfs/dbraw/zinc/91/54/57/520915457.db2.gz KZAGTMXUGCDELV-ZDUSSCGKSA-N -1 0 274.282 4.139 10 0 CIAERM CC[C@H](C)Sc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000054554039 521782785 /nfs/dbraw/zinc/78/27/85/521782785.db2.gz XNJVYRYOHJCQGI-ZETCQYMHSA-N -1 0 278.295 4.294 10 0 CIAERM CC[C@@H](Nc1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC000054529922 522955841 /nfs/dbraw/zinc/95/58/41/522955841.db2.gz AZIZZVWQFQOSBD-LLVKDONJSA-N -1 0 279.336 4.149 10 0 CIAERM CC[C@H]1CC[C@H](C(=O)[O-])[C@H](SC2CCCCC2)C1 ZINC000062766322 523201098 /nfs/dbraw/zinc/20/10/98/523201098.db2.gz WPGFDAUNHFZUQW-FPMFFAJLSA-N -1 0 270.438 4.332 10 0 CIAERM CC[C@H]1CC[C@H](C(=O)[O-])[C@H](Sc2ccccc2F)C1 ZINC000062764823 523201680 /nfs/dbraw/zinc/20/16/80/523201680.db2.gz OHECHUHREQPUSU-COPLHBTASA-N -1 0 282.380 4.197 10 0 CIAERM CC[C@@H]1CC[C@H](C(=O)[O-])[C@H](Sc2ccccc2)C1 ZINC000062764547 523361919 /nfs/dbraw/zinc/36/19/19/523361919.db2.gz ZCWZZNVLOZXTRP-KWCYVHTRSA-N -1 0 264.390 4.058 10 0 CIAERM COc1ccc(Cl)cc1[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062672089 524255042 /nfs/dbraw/zinc/25/50/42/524255042.db2.gz DRVKBHGMPHMIKW-RYUDHWBXSA-N -1 0 282.767 4.097 10 0 CIAERM C[C@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2ccc(Cl)cc2)C1 ZINC000062764519 524342654 /nfs/dbraw/zinc/34/26/54/524342654.db2.gz QQDQCDVEHOVAKH-ZWKOPEQDSA-N -1 0 284.808 4.322 10 0 CIAERM C[C@@H](CCC(=O)[O-])Sc1cccc(C(F)(F)F)c1 ZINC000050955885 524442941 /nfs/dbraw/zinc/44/29/41/524442941.db2.gz DNLNXQWHHDDGAS-QMMMGPOBSA-N -1 0 278.295 4.051 10 0 CIAERM Cc1cc(O[C@@H](C)CCC(=O)[O-])c(C(C)C)cc1Cl ZINC000050955385 525381261 /nfs/dbraw/zinc/38/12/61/525381261.db2.gz DYRSAZYOKKJFSY-NSHDSACASA-N -1 0 284.783 4.404 10 0 CIAERM Cc1ccc(C(=O)[O-])c(Oc2cc(Cl)ccc2Cl)n1 ZINC000054552800 526233862 /nfs/dbraw/zinc/23/38/62/526233862.db2.gz FVVZZRGOZWESQB-UHFFFAOYSA-N -1 0 298.125 4.187 10 0 CIAERM C[C@@H]1CC=CC[C@H]1COc1cccc(Cl)c1C(=O)[O-] ZINC000054553261 526238483 /nfs/dbraw/zinc/23/84/83/526238483.db2.gz HXWLDKUMYFLUFV-MNOVXSKESA-N -1 0 280.751 4.019 10 0 CIAERM O=C([O-])[C@H]1CCCCC[C@@H]1c1ccccc1Cl ZINC000062624764 526319265 /nfs/dbraw/zinc/31/92/65/526319265.db2.gz FUQMFVHIAGBADO-PWSUYJOCSA-N -1 0 252.741 4.089 10 0 CIAERM O=C([O-])[C@H]1CCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000062666667 526319930 /nfs/dbraw/zinc/31/99/30/526319930.db2.gz FGDVNIZJDGUOOY-UWVGGRQHSA-N -1 0 273.159 4.352 10 0 CIAERM O=C([O-])c1cccc(CSCc2ccc(Cl)cc2)c1 ZINC000058238391 526389845 /nfs/dbraw/zinc/38/98/45/526389845.db2.gz QIMMKKZSACAGJU-UHFFFAOYSA-N -1 0 292.787 4.472 10 0 CIAERM O=C([O-])/C=C/c1cccc(CSc2cccs2)c1 ZINC000049627792 527547615 /nfs/dbraw/zinc/54/76/15/527547615.db2.gz FQOAOGULQDKXTG-VOTSOKGWSA-N -1 0 276.382 4.138 10 0 CIAERM O=C([O-])C[C@@H](c1cccc(Cl)c1Cl)C(F)(F)F ZINC000062944061 527626850 /nfs/dbraw/zinc/62/68/50/527626850.db2.gz XNRJVJKXQFHLJR-LURJTMIESA-N -1 0 287.064 4.114 10 0 CIAERM O=C([O-])[C@@H]1CCCCC[C@@H]1c1ccccc1Cl ZINC000062624766 527660043 /nfs/dbraw/zinc/66/00/43/527660043.db2.gz FUQMFVHIAGBADO-ZYHUDNBSSA-N -1 0 252.741 4.089 10 0 CIAERM C[C@H](CCOC(=O)c1ccccc1C(=O)[O-])CC(C)(C)C ZINC000065747884 566880055 /nfs/dbraw/zinc/88/00/55/566880055.db2.gz RJFYLVAMNLWRKY-GFCCVEGCSA-N -1 0 292.375 4.004 10 0 in-vitro CIAERM C[C@@H](CCOC(=O)c1ccccc1C(=O)[O-])CC(C)(C)C ZINC000065747881 566880064 /nfs/dbraw/zinc/88/00/64/566880064.db2.gz RJFYLVAMNLWRKY-LBPRGKRZSA-N -1 0 292.375 4.004 10 0 in-vitro CIAERM CCCN(CCC)c1cccc2sc(C(=O)[O-])cc21 ZINC000725272081 567924957 /nfs/dbraw/zinc/92/49/57/567924957.db2.gz YYFPOYPSPXGYAA-UHFFFAOYSA-N -1 0 277.389 4.226 10 0 CIAERM CC(C)[C@@H](C(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000309864503 570370920 /nfs/dbraw/zinc/37/09/20/570370920.db2.gz KXDCEPUVFZPYGC-QGZVFWFLSA-N -1 0 284.355 4.090 10 0 CIAERM Cc1ccc(-c2[nH]c3c(cccc3F)c2CCC(=O)[O-])cc1 ZINC000616568687 570408528 /nfs/dbraw/zinc/40/85/28/570408528.db2.gz CNQUEDBKYYKTHX-UHFFFAOYSA-N -1 0 297.329 4.300 10 0 CIAERM C[C@@H](CCCCC(=O)[O-])c1cc(Cl)ccc1F ZINC000096890821 185124034 /nfs/dbraw/zinc/12/40/34/185124034.db2.gz UZWNQFAWVOJITJ-VIFPVBQESA-N -1 0 258.720 4.228 10 0 CIAERM O=C([O-])/C=C\c1cccc(CSc2cccs2)c1 ZINC000103377209 185834169 /nfs/dbraw/zinc/83/41/69/185834169.db2.gz FQOAOGULQDKXTG-SREVYHEPSA-N -1 0 276.382 4.138 10 0 CIAERM CC(C)(C)CC[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000103950980 185867622 /nfs/dbraw/zinc/86/76/22/185867622.db2.gz PXDGGLGTAQCDCG-GFCCVEGCSA-N -1 0 268.784 4.410 10 0 CIAERM Cc1ccc(Sc2ccc(F)cc2C(=O)[O-])cc1C ZINC000104235264 185938787 /nfs/dbraw/zinc/93/87/87/185938787.db2.gz MTWOMDFVYSIKCC-UHFFFAOYSA-N -1 0 276.332 4.292 10 0 CIAERM O=C([O-])c1ccc(Nc2cccc(Cl)c2Cl)cc1 ZINC000105685105 186067701 /nfs/dbraw/zinc/06/77/01/186067701.db2.gz DDLSPNKJRSZZIJ-UHFFFAOYSA-N -1 0 282.126 4.435 10 0 CIAERM O=C([O-])c1cc2c(cncc2-c2cccc(Cl)c2)s1 ZINC000211866233 189688754 /nfs/dbraw/zinc/68/87/54/189688754.db2.gz NYJIWBVWEOAUGT-UHFFFAOYSA-N -1 0 289.743 4.315 10 0 CIAERM C[C@H](C(=O)[O-])c1ccc(-c2ccccc2Cl)c(F)c1 ZINC000013672469 184533795 /nfs/dbraw/zinc/53/37/95/184533795.db2.gz MDESQZAMJIMYRV-VIFPVBQESA-N -1 0 278.710 4.334 10 0 CIAERM COC(=O)N(C(=O)[O-])[C@@H](c1ccc(Cl)cc1)C(C)(C)C ZINC000095080655 184937556 /nfs/dbraw/zinc/93/75/56/184937556.db2.gz KYPQWRNZQATWRX-NSHDSACASA-N -1 0 299.754 4.174 10 0 CIAERM Cc1ccc(C)c(-c2[nH]c3ccccc3c2CC(=O)[O-])c1 ZINC000003752850 169910661 /nfs/dbraw/zinc/91/06/61/169910661.db2.gz LDAXMEKMJDMMAU-UHFFFAOYSA-N -1 0 279.339 4.079 10 0 CIAERM C/C=C/COc1cc([N-]C(=S)OC(C)C)ccc1Cl ZINC000005566339 170114062 /nfs/dbraw/zinc/11/40/62/170114062.db2.gz LBYJZZVZGAZWLU-SNAWJCMRSA-N -1 0 299.823 4.417 10 0 CIAERM C[C@@H](C(=O)[O-])c1cccc(Oc2ccccc2Cl)c1 ZINC000006037141 170170513 /nfs/dbraw/zinc/17/05/13/170170513.db2.gz DBYOODVQQKIUTD-SNVBAGLBSA-N -1 0 276.719 4.320 10 0 CIAERM O=C([O-])/C(=C\c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000006222044 170183533 /nfs/dbraw/zinc/18/35/33/170183533.db2.gz DKVNPTCTFJEWNX-FLIBITNWSA-N -1 0 298.285 4.392 10 0 CIAERM Cc1ccc(C[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC000011588926 170423722 /nfs/dbraw/zinc/42/37/22/170423722.db2.gz RASNERXZWQPBPS-CQSZACIVSA-N -1 0 274.747 4.059 10 0 CIAERM Cc1cccc([C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000011588856 170423739 /nfs/dbraw/zinc/42/37/39/170423739.db2.gz MDTWQVLPCMSBCX-OAHLLOKOSA-N -1 0 274.747 4.059 10 0 CIAERM Cc1ccccc1[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000011588811 170423751 /nfs/dbraw/zinc/42/37/51/170423751.db2.gz RCENYIYBJDTJDZ-HNNXBMFYSA-N -1 0 274.747 4.059 10 0 CIAERM Cc1cccc([C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000011588854 170423942 /nfs/dbraw/zinc/42/39/42/170423942.db2.gz WYYRFHTUQFOARH-OAHLLOKOSA-N -1 0 274.747 4.059 10 0 CIAERM Cc1ccc(S[C@H](C)c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000011827714 170444514 /nfs/dbraw/zinc/44/45/14/170444514.db2.gz NBWZGDZUXAVOQV-LLVKDONJSA-N -1 0 276.357 4.448 10 0 CIAERM CC(C)(CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000011825160 170444544 /nfs/dbraw/zinc/44/45/44/170444544.db2.gz ZBJIMHRCPLAKMW-UHFFFAOYSA-N -1 0 260.358 4.043 10 0 CIAERM O=C([O-])[C@@H](Sc1cccc(Cl)c1)c1ccccc1 ZINC000011831979 170444876 /nfs/dbraw/zinc/44/48/76/170444876.db2.gz QQEYVVPWIXHBCE-ZDUSSCGKSA-N -1 0 278.760 4.258 10 0 CIAERM CC(C)(C)c1ccc(OCCC(=O)[O-])c(C(C)(C)C)c1 ZINC000011829414 170444915 /nfs/dbraw/zinc/44/49/15/170444915.db2.gz SURDYEZFRCTWTA-UHFFFAOYSA-N -1 0 278.392 4.135 10 0 CIAERM Cc1ccc(C)c(COc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000013083696 170530692 /nfs/dbraw/zinc/53/06/92/170530692.db2.gz ZOHWGPVXRMEMGV-UHFFFAOYSA-N -1 0 290.746 4.234 10 0 CIAERM O=C([O-])c1cccnc1Sc1ccc2ccccc2c1 ZINC000013091191 170531044 /nfs/dbraw/zinc/53/10/44/170531044.db2.gz ROOJXEOQPIAHIM-UHFFFAOYSA-N -1 0 281.336 4.084 10 0 CIAERM O=C([O-])c1ccc(Cl)cc1OCc1ccc(Cl)cc1 ZINC000013085144 170531071 /nfs/dbraw/zinc/53/10/71/170531071.db2.gz GCLSDZDNWFRSMC-UHFFFAOYSA-N -1 0 297.137 4.271 10 0 CIAERM O=C([O-])/C=C/C=C/c1ccc(Oc2ccccc2)cc1 ZINC000013606296 170568858 /nfs/dbraw/zinc/56/88/58/170568858.db2.gz VYBYUBBPKVODPS-REZHQCRGSA-N -1 0 266.296 4.133 10 0 CIAERM CC[C@H](C)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000016478330 170699430 /nfs/dbraw/zinc/69/94/30/170699430.db2.gz BUEIEKXGQBQWKO-LBPRGKRZSA-N -1 0 291.391 4.030 10 0 CIAERM C[C@H](Oc1cccc(Cl)c1C(=O)[O-])c1ccccc1 ZINC000020080466 170985736 /nfs/dbraw/zinc/98/57/36/170985736.db2.gz NCKRKQFQYWXHLT-JTQLQIEISA-N -1 0 276.719 4.178 10 0 CIAERM O=C([O-])[C@@H](Nc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000020271927 171126757 /nfs/dbraw/zinc/12/67/57/171126757.db2.gz ARFIDWPLKLSSNJ-ZDUSSCGKSA-N -1 0 296.153 4.231 10 0 CIAERM O=C([O-])C1(c2cccc(Cl)c2)CCCCCC1 ZINC000020429427 171194532 /nfs/dbraw/zinc/19/45/32/171194532.db2.gz WZOBSRDJOZHEHV-UHFFFAOYSA-N -1 0 252.741 4.017 10 0 CIAERM O=C([O-])CCCCNc1c(Cl)cccc1C(F)(F)F ZINC000020474604 171218536 /nfs/dbraw/zinc/21/85/36/171218536.db2.gz FMCKFSLNDDVPIQ-UHFFFAOYSA-N -1 0 295.688 4.026 10 0 CIAERM CCCCCc1ccc(NCCCCC(=O)[O-])cc1 ZINC000020474586 171218673 /nfs/dbraw/zinc/21/86/73/171218673.db2.gz ZEZQZIMNNQATMX-UHFFFAOYSA-N -1 0 263.381 4.086 10 0 CIAERM O=C([O-])CCCCNc1ccc(C(F)(F)F)cc1Cl ZINC000020474587 171218783 /nfs/dbraw/zinc/21/87/83/171218783.db2.gz IHBPJRPOQLILAK-UHFFFAOYSA-N -1 0 295.688 4.026 10 0 CIAERM O=C([O-])CCCCNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020474487 171218793 /nfs/dbraw/zinc/21/87/93/171218793.db2.gz SLOJDECCVDXESG-UHFFFAOYSA-N -1 0 295.688 4.026 10 0 CIAERM CCCC[C@H](CC)CO[C@H](C(=O)[O-])c1ccccc1 ZINC000020506625 171228773 /nfs/dbraw/zinc/22/87/73/171228773.db2.gz GOGQOEDGCSOJOJ-ZFWWWQNUSA-N -1 0 264.365 4.045 10 0 CIAERM O=C([O-])CCCCOc1c(Cl)cc(Cl)cc1Cl ZINC000020518774 171233303 /nfs/dbraw/zinc/23/33/03/171233303.db2.gz LJROHSDJURJDEO-UHFFFAOYSA-N -1 0 297.565 4.281 10 0 CIAERM O=C([O-])c1c2cc(Cl)ccc2nc2c1CCCCCC2 ZINC000021012887 171288504 /nfs/dbraw/zinc/28/85/04/171288504.db2.gz CACLRGBNVADNCV-UHFFFAOYSA-N -1 0 289.762 4.245 10 0 CIAERM Cc1ccc(Cl)c(Nc2ncccc2C(=O)[O-])c1Cl ZINC000021521129 171316565 /nfs/dbraw/zinc/31/65/65/171316565.db2.gz PSLFGGBKHYJTKO-UHFFFAOYSA-N -1 0 297.141 4.139 10 0 CIAERM CCc1cccc(Oc2cccc(Cl)c2C(=O)[O-])c1 ZINC000021819785 171334134 /nfs/dbraw/zinc/33/41/34/171334134.db2.gz YRCYBBVYXXIHRT-UHFFFAOYSA-N -1 0 276.719 4.393 10 0 CIAERM Cc1ccc(Oc2cc(C)cc(C)c2C)c(CC(=O)[O-])c1 ZINC000028766502 171573797 /nfs/dbraw/zinc/57/37/97/171573797.db2.gz OPPGJAGXHQIWRA-UHFFFAOYSA-N -1 0 284.355 4.340 10 0 CIAERM Cc1ccc(-c2csc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000032647243 171742189 /nfs/dbraw/zinc/74/21/89/171742189.db2.gz JRVAASDWDKQKQD-UHFFFAOYSA-N -1 0 295.363 4.484 10 0 CIAERM Cc1nc(Nc2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000033507746 171809004 /nfs/dbraw/zinc/80/90/04/171809004.db2.gz YJTCYNLTCANXSC-UHFFFAOYSA-N -1 0 290.388 4.191 10 0 CIAERM Cc1cc(C)c2nc(C3CCCC3)cc(C(=O)[O-])c2c1 ZINC000033674666 171817760 /nfs/dbraw/zinc/81/77/60/171817760.db2.gz IAQPTEPZOHHZSF-UHFFFAOYSA-N -1 0 269.344 4.207 10 0 CIAERM O=C([O-])CCCCCCC/C=C\CCCCCCO ZINC000033822265 171821835 /nfs/dbraw/zinc/82/18/35/171821835.db2.gz RPQJFAIEPUKQHK-IWQZZHSRSA-N -1 0 270.413 4.301 10 0 CIAERM CC(C)[C@](C)(Cc1nc2cccc(Cl)c2s1)C(=O)[O-] ZINC000035412368 172184092 /nfs/dbraw/zinc/18/40/92/172184092.db2.gz RMCLNKSICIDPCK-AWEZNQCLSA-N -1 0 297.807 4.239 10 0 CIAERM CCC(CC)(Cc1nc2cccc(Cl)c2s1)C(=O)[O-] ZINC000035412366 172184115 /nfs/dbraw/zinc/18/41/15/172184115.db2.gz ZINWLIDPXDVIJB-UHFFFAOYSA-N -1 0 297.807 4.383 10 0 CIAERM O=C([O-])c1cccn1-c1cc(Cl)c(Cl)cc1Cl ZINC000035431613 172199772 /nfs/dbraw/zinc/19/97/72/172199772.db2.gz ALALBPDKKQQPDV-UHFFFAOYSA-N -1 0 290.533 4.136 10 0 CIAERM CC(C)CCOc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000035662423 172340369 /nfs/dbraw/zinc/34/03/69/172340369.db2.gz DNPCZIKJDSNQGC-UHFFFAOYSA-N -1 0 277.147 4.117 10 0 CIAERM C/C=C/COc1c(Cl)cc(Cl)cc1/C=C/C(=O)[O-] ZINC000035662881 172341146 /nfs/dbraw/zinc/34/11/46/172341146.db2.gz XRZMCGXCMDOINH-MQQKCMAXSA-N -1 0 287.142 4.046 10 0 CIAERM Cc1cc(OCCCC(=O)[O-])c(C(C)C)cc1Cl ZINC000035663465 172341762 /nfs/dbraw/zinc/34/17/62/172341762.db2.gz RDFAFDXQTZPNJE-UHFFFAOYSA-N -1 0 270.756 4.015 10 0 CIAERM 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CIAERM O=C([O-])c1c(Cl)n(C2CCCCCC2)nc1C(F)F ZINC000061629032 526339680 /nfs/dbraw/zinc/33/96/80/526339680.db2.gz DECDPQHBNYWPQZ-UHFFFAOYSA-N -1 0 292.713 4.068 10 0 CIAERM O=C([O-])c1sc(-c2ccccc2Cl)nc1C1CC1 ZINC000062490666 526411430 /nfs/dbraw/zinc/41/14/30/526411430.db2.gz CGNCWFLQJGVCAY-UHFFFAOYSA-N -1 0 279.748 4.039 10 0 CIAERM O=C([O-])C[C@H](Sc1cccs1)c1ccccc1 ZINC000062764306 527633942 /nfs/dbraw/zinc/63/39/42/527633942.db2.gz ZEAFMLJEBGVYHC-NSHDSACASA-N -1 0 264.371 4.056 10 0 CIAERM O=C([O-])c1cccc2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@@H]21 ZINC000247448560 566891081 /nfs/dbraw/zinc/89/10/81/566891081.db2.gz ZCWMDMKMAUZFMH-VWPFQQQWSA-N -1 0 295.382 4.195 10 0 CIAERM C[C@H]1[C@H](n2c(=O)c3ccccc3[n-]c2=S)CCC[C@@H]1C ZINC000003911655 567854572 /nfs/dbraw/zinc/85/45/72/567854572.db2.gz CVVSRXDHFVSJEK-MISXGVKJSA-N -1 0 288.416 4.056 10 0 CIAERM O=C([O-])c1c(-c2ccc(Cl)cc2)coc1CC1CC1 ZINC000725246655 570255808 /nfs/dbraw/zinc/25/58/08/570255808.db2.gz RVLCYJRPJNUKGH-UHFFFAOYSA-N -1 0 276.719 4.251 10 0 CIAERM CC1(C)CC(c2cc(Br)sc2C(=O)[O-])C1 ZINC000675057951 570364980 /nfs/dbraw/zinc/36/49/80/570364980.db2.gz NWGJNMNZJYAGOH-UHFFFAOYSA-N -1 0 289.194 4.112 10 0 CIAERM O=C([O-])c1ccc2c(ccn2Cc2cccc(Cl)c2)c1 ZINC000108253316 230394020 /nfs/dbraw/zinc/39/40/20/230394020.db2.gz SBCCQSLJEXIEIS-UHFFFAOYSA-N -1 0 285.730 4.041 10 0 CIAERM O=C([O-])c1c2cc(Cl)cc(Cl)c2nc2c1CCCC2 ZINC000082480138 178049877 /nfs/dbraw/zinc/04/98/77/178049877.db2.gz MMVIRQMJWIHVAY-UHFFFAOYSA-N -1 0 296.153 4.119 10 0 CIAERM Cc1cc(C)c(C)c(-c2cc(C(=O)[O-])cs2)c1C ZINC000082569713 178104317 /nfs/dbraw/zinc/10/43/17/178104317.db2.gz MNYGERVBJUYPRV-UHFFFAOYSA-N -1 0 260.358 4.347 10 0 CIAERM CC(C)(CC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000082623566 178139087 /nfs/dbraw/zinc/13/90/87/178139087.db2.gz DWTPLDOKEGJRPX-UHFFFAOYSA-N -1 0 270.328 4.231 10 0 CIAERM O=C([O-])c1ncsc1-c1ccc(-c2ccccc2)cc1 ZINC000083239564 178366387 /nfs/dbraw/zinc/36/63/87/178366387.db2.gz XERBRPJCEWKRDY-UHFFFAOYSA-N -1 0 281.336 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CC(C)/C(=C\CCCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000071599638 176224726 /nfs/dbraw/zinc/22/47/26/176224726.db2.gz WWVIAWSUXAZFAZ-LFYBBSHMSA-N -1 0 268.303 4.259 10 0 CIAERM COc1cc(C)c(Cl)cc1[C@H](C)CCCC(=O)[O-] ZINC000071609222 176231037 /nfs/dbraw/zinc/23/10/37/176231037.db2.gz CZGVEYGYZYCNNP-SECBINFHSA-N -1 0 270.756 4.015 10 0 CIAERM Cc1cccc(C2(C(=O)[O-])CC3(C2)CCCCC3)c1 ZINC000076314773 176982946 /nfs/dbraw/zinc/98/29/46/176982946.db2.gz SUJJBDXXOBJQKH-UHFFFAOYSA-N -1 0 258.361 4.062 10 0 CIAERM CC(C)C1CC(C(=O)[O-])(c2ccc(Cl)cc2Cl)C1 ZINC000076501155 177030086 /nfs/dbraw/zinc/03/00/86/177030086.db2.gz XLNYYOZYWQTSSG-UHFFFAOYSA-N -1 0 287.186 4.382 10 0 CIAERM CSc1ccc([C@@H](CC(=O)[O-])CC(C)C)cc1 ZINC000076656817 177045842 /nfs/dbraw/zinc/04/58/42/177045842.db2.gz BUGJDZYYNLTIFR-GFCCVEGCSA-N -1 0 252.379 4.013 10 0 CIAERM CC(C)Cc1ccc([C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000076675333 177055946 /nfs/dbraw/zinc/05/59/46/177055946.db2.gz OIDLBZFEMYQIRY-HNNXBMFYSA-N -1 0 262.393 4.490 10 0 CIAERM Cc1ccccc1CC[C@@H](CC(=O)[O-])c1cccs1 ZINC000076720728 177069822 /nfs/dbraw/zinc/06/98/22/177069822.db2.gz PEOKZFQBBZECTC-AWEZNQCLSA-N -1 0 274.385 4.248 10 0 CIAERM C[C@H]1CCC[C@@H](Sc2ccccc2C(=O)[O-])C1 ZINC000054688773 524153403 /nfs/dbraw/zinc/15/34/03/524153403.db2.gz LOETUVIMNUICRJ-WDEREUQCSA-N -1 0 250.363 4.056 10 0 CIAERM Cc1cc(C(=O)[O-])ccc1Nc1nc(C(C)C)cs1 ZINC000063059811 524194468 /nfs/dbraw/zinc/19/44/68/524194468.db2.gz UKTLSRWSYQKADS-UHFFFAOYSA-N -1 0 276.361 4.017 10 0 CIAERM Cc1ccccc1CS[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000062767475 525183899 /nfs/dbraw/zinc/18/38/99/525183899.db2.gz XWYMXYVGSCVLIY-HUUCEWRRSA-N -1 0 278.417 4.262 10 0 CIAERM Cc1ccc([C@H](C)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000054531986 525947866 /nfs/dbraw/zinc/94/78/66/525947866.db2.gz VBYRGRHZPYLNHV-VIFPVBQESA-N -1 0 279.336 4.067 10 0 CIAERM O=C([O-])[C@H]1CCCCC[C@@H]1c1cccc(Cl)c1 ZINC000062624769 526319282 /nfs/dbraw/zinc/31/92/82/526319282.db2.gz XRWAGELYDUXBLR-OLZOCXBDSA-N -1 0 252.741 4.089 10 0 CIAERM O=C([O-])[C@H]1CCCC[C@@H]1Sc1ccccc1Cl ZINC000062764910 526320338 /nfs/dbraw/zinc/32/03/38/526320338.db2.gz QTKPYWZFKYGMDE-ONGXEEELSA-N -1 0 270.781 4.076 10 0 CIAERM O=C([O-])[C@H]1CCC[C@H]1Sc1cc(Cl)ccc1Cl ZINC000062764784 526326241 /nfs/dbraw/zinc/32/62/41/526326241.db2.gz ZAOYMAZBQYQZRY-WCBMZHEXSA-N -1 0 291.199 4.339 10 0 CIAERM O=C([O-])c1c(Cl)cccc1Oc1cc(F)cc(F)c1 ZINC000054933260 526339989 /nfs/dbraw/zinc/33/99/89/526339989.db2.gz AQQPSTNSOGYMEJ-UHFFFAOYSA-N -1 0 284.645 4.109 10 0 CIAERM O=C([O-])C1(c2ccccc2Br)CCCCCC1 ZINC000055336234 527560515 /nfs/dbraw/zinc/56/05/15/527560515.db2.gz KJPKKDCCHATGCQ-UHFFFAOYSA-N -1 0 297.192 4.126 10 0 CIAERM CCC[C@@H]1CCc2c(sc(Cl)c2C(=O)[O-])C1 ZINC000132756221 567037463 /nfs/dbraw/zinc/03/74/63/567037463.db2.gz KYPZNRBEBYWWOA-SSDOTTSWSA-N -1 0 258.770 4.005 10 0 CIAERM CCc1ccc2[nH]c(C(=O)[O-])c(-c3ccccc3)c2c1 ZINC000058823632 567218017 /nfs/dbraw/zinc/21/80/17/567218017.db2.gz ZHMSFFMPYALYBQ-UHFFFAOYSA-N -1 0 265.312 4.096 10 0 CIAERM CC(C)CCc1occ(-c2cccc(F)c2)c1C(=O)[O-] ZINC000725246113 567908279 /nfs/dbraw/zinc/90/82/79/567908279.db2.gz JNFWIZHHIRKZCB-UHFFFAOYSA-N -1 0 276.307 4.373 10 0 CIAERM CCC[C@@H](C)c1cc(Br)sc1C(=O)[O-] ZINC000675057532 570364711 /nfs/dbraw/zinc/36/47/11/570364711.db2.gz DWYIHQSEVXANDV-ZCFIWIBFSA-N -1 0 277.183 4.112 10 0 CIAERM CC(C)Cc1ccc(-c2cc(C(=O)[O-])cs2)cc1 ZINC000082569708 178104124 /nfs/dbraw/zinc/10/41/24/178104124.db2.gz PHSBVKRPBHDOBJ-UHFFFAOYSA-N -1 0 260.358 4.312 10 0 CIAERM Cc1ccc(-c2nc(C3CC3)c(C(=O)[O-])s2)c(C)c1 ZINC000082585014 178120819 /nfs/dbraw/zinc/12/08/19/178120819.db2.gz MWISITUXWITFAD-UHFFFAOYSA-N -1 0 273.357 4.003 10 0 CIAERM Cc1c(-c2cccc(C(=O)[O-])c2)cccc1C(F)(F)F ZINC000095935254 185033738 /nfs/dbraw/zinc/03/37/38/185033738.db2.gz IGEVJWUJZCMVHG-UHFFFAOYSA-N -1 0 280.245 4.379 10 0 CIAERM CC(C)Sc1ccc([C@@H](CC(=O)[O-])C(C)C)cc1 ZINC000098160443 185694262 /nfs/dbraw/zinc/69/42/62/185694262.db2.gz NDEQDYJHYLLNES-AWEZNQCLSA-N -1 0 266.406 4.401 10 0 CIAERM CCCc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000104044160 185885576 /nfs/dbraw/zinc/88/55/76/185885576.db2.gz AUOURXKKKCTZMW-UHFFFAOYSA-N -1 0 258.292 4.143 10 0 CIAERM C[C@H]1CCC[C@@H](SCc2ccc(F)cc2C(=O)[O-])C1 ZINC000104174420 185916896 /nfs/dbraw/zinc/91/68/96/185916896.db2.gz ACIDQBPEVUFEFF-GXFFZTMASA-N -1 0 282.380 4.336 10 0 CIAERM CCCC(CCC)(C(=O)[O-])c1ccc(Br)cc1 ZINC000104183794 185918325 /nfs/dbraw/zinc/91/83/25/185918325.db2.gz NWFNUPHDAWGUIR-UHFFFAOYSA-N -1 0 299.208 4.372 10 0 CIAERM CC(C)=CCC/C(C)=C/Cc1cc(C(=O)[O-])ccc1O ZINC000001530286 290875654 /nfs/dbraw/zinc/87/56/54/290875654.db2.gz HKIMBCGCVPYUTJ-NTUHNPAUSA-N -1 0 274.360 4.326 10 0 biogenic,in-man CIAERM Cc1cccc(Oc2ccc(C(=O)[O-])cc2C)c1C ZINC000104366528 185986344 /nfs/dbraw/zinc/98/63/44/185986344.db2.gz YKJKPWDGCYDIDK-UHFFFAOYSA-N -1 0 256.301 4.102 10 0 CIAERM O=C([O-])c1ccc(Sc2ccc3cc[nH]c3c2)cc1 ZINC000090686446 180024059 /nfs/dbraw/zinc/02/40/59/180024059.db2.gz GBEBEXJESKXOHQ-UHFFFAOYSA-N -1 0 269.325 4.017 10 0 CIAERM CCCCCc1ccc(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000091676049 180225356 /nfs/dbraw/zinc/22/53/56/180225356.db2.gz KLASOPOMGAZCGB-HOTGVXAUSA-N -1 0 288.387 4.103 10 0 CIAERM Cc1cc(C(=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000110449970 186297123 /nfs/dbraw/zinc/29/71/23/186297123.db2.gz IAKUOQHUKQOKLF-UHFFFAOYSA-N -1 0 278.760 4.498 10 0 CIAERM O=C([O-])Cc1cc2ccccc2c(-c2ccccc2)c1 ZINC000169315490 188656685 /nfs/dbraw/zinc/65/66/85/188656685.db2.gz ITBHHSOARJVRSV-UHFFFAOYSA-N -1 0 262.308 4.134 10 0 CIAERM COc1ccc(C(=O)[O-])cc1-c1cc2cc(C)c(C)cc2[nH]1 ZINC000006744974 170238943 /nfs/dbraw/zinc/23/89/43/170238943.db2.gz XMFAPHQECGBXEZ-UHFFFAOYSA-N -1 0 295.338 4.159 10 0 CIAERM Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2Sc1ccccc1 ZINC000006751612 170240463 /nfs/dbraw/zinc/24/04/63/170240463.db2.gz DQVMHMBOIBYUHN-UHFFFAOYSA-N -1 0 283.352 4.326 10 0 CIAERM CCC(CC)(CC(=O)Nc1ccccc1C(C)C)C(=O)[O-] ZINC000010170059 170399462 /nfs/dbraw/zinc/39/94/62/170399462.db2.gz XPZNJFJFMHXJCR-UHFFFAOYSA-N -1 0 291.391 4.030 10 0 CIAERM Cc1ccccc1[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000011588813 170423915 /nfs/dbraw/zinc/42/39/15/170423915.db2.gz BWQFDNBHXBUHPG-HNNXBMFYSA-N -1 0 274.747 4.059 10 0 CIAERM O=C([O-])[C@@H](Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000011588998 170424069 /nfs/dbraw/zinc/42/40/69/170424069.db2.gz HFNXAJINMSMANO-AWEZNQCLSA-N -1 0 295.165 4.404 10 0 CIAERM O=C([O-])Cc1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000011862225 170449469 /nfs/dbraw/zinc/44/94/69/170449469.db2.gz ORNWEAWCTRKRKK-UHFFFAOYSA-N -1 0 292.787 4.259 10 0 CIAERM CC(C)c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000011947169 170460554 /nfs/dbraw/zinc/46/05/54/170460554.db2.gz JFUMJQOEDATMLI-UHFFFAOYSA-N -1 0 270.328 4.087 10 0 CIAERM Cc1c(C(C)C)nn(-c2ccc(C(C)C)cc2)c1C(=O)[O-] ZINC000019045231 170751372 /nfs/dbraw/zinc/75/13/72/170751372.db2.gz ZVXJRBJJWXXNFU-UHFFFAOYSA-N -1 0 286.375 4.126 10 0 CIAERM Cc1ccc(S[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000019803765 170873092 /nfs/dbraw/zinc/87/30/92/170873092.db2.gz VGPSNIGZUKYKKJ-HNNXBMFYSA-N -1 0 272.369 4.221 10 0 CIAERM Cc1cc(-c2[nH]c3c(cccc3C)c2CC(=O)[O-])c(C)s1 ZINC000019803951 170873370 /nfs/dbraw/zinc/87/33/70/170873370.db2.gz OEJWIOYLFACTQT-UHFFFAOYSA-N -1 0 299.395 4.449 10 0 CIAERM O=C([O-])c1c(Cl)cccc1Oc1cccc(Cl)c1 ZINC000020080780 170985695 /nfs/dbraw/zinc/98/56/95/170985695.db2.gz AYSZLDZLFZGZPN-UHFFFAOYSA-N -1 0 283.110 4.484 10 0 CIAERM CCC[C@H](C)c1oc(-c2cccs2)nc1C(=O)[O-] ZINC000020251840 171104532 /nfs/dbraw/zinc/10/45/32/171104532.db2.gz BKURDIHJDKUUHM-QMMMGPOBSA-N -1 0 265.334 4.005 10 0 CIAERM O=C([O-])CCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020267808 171124223 /nfs/dbraw/zinc/12/42/23/171124223.db2.gz CWAZHXLCDIQJGT-UHFFFAOYSA-N -1 0 285.126 4.271 10 0 CIAERM CC(C)(C)C(=O)C=C([O-])c1c(Cl)ccc(F)c1Cl ZINC000020375759 171171380 /nfs/dbraw/zinc/17/13/80/171171380.db2.gz OTFYACVZNJVLHI-UHFFFAOYSA-N -1 0 291.149 4.321 10 0 CIAERM CC[C@H](C)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1 ZINC000020381115 171172800 /nfs/dbraw/zinc/17/28/00/171172800.db2.gz JTKOHMIHNTZNCH-LBPRGKRZSA-N -1 0 282.339 4.129 10 0 CIAERM Cc1ccc(Nc2ncc(C(=O)[O-])cc2Cl)c(Cl)c1 ZINC000020471447 171214036 /nfs/dbraw/zinc/21/40/36/171214036.db2.gz ZXNWEPYXKMIRIB-UHFFFAOYSA-N -1 0 297.141 4.139 10 0 CIAERM CCCCN(CC)c1cccc(Cl)c1/C=C/C(=O)[O-] ZINC000020527036 171240259 /nfs/dbraw/zinc/24/02/59/171240259.db2.gz NMMHNPWUZPHWQP-MDZDMXLPSA-N -1 0 281.783 4.064 10 0 CIAERM O=C(Nc1cccc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000020548079 171245602 /nfs/dbraw/zinc/24/56/02/171245602.db2.gz WUMWRIIRVPUQFC-UHFFFAOYSA-N -1 0 297.741 4.451 10 0 CIAERM Cc1ccc(Oc2cccc(Cl)c2C(=O)[O-])cc1C ZINC000020552319 171247951 /nfs/dbraw/zinc/24/79/51/171247951.db2.gz OIENFKYXOTUGKK-UHFFFAOYSA-N -1 0 276.719 4.447 10 0 CIAERM O=C([O-])c1cc(NCc2cccc(Cl)c2)ccc1Cl ZINC000020881405 171277572 /nfs/dbraw/zinc/27/75/72/171277572.db2.gz SCZCULFDPNVBLB-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM CCc1ccc(CNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000020881134 171277715 /nfs/dbraw/zinc/27/77/15/171277715.db2.gz RSGQCCCYJJTEAU-UHFFFAOYSA-N -1 0 289.762 4.213 10 0 CIAERM CC[C@@H]1CCc2nc3ccc(Cl)cc3c(C(=O)[O-])c2C1 ZINC000021061107 171297232 /nfs/dbraw/zinc/29/72/32/171297232.db2.gz JTWNZOKFEVBMSC-SECBINFHSA-N -1 0 289.762 4.101 10 0 CIAERM O=C([O-])c1cc2ccccc2n1Cc1ccc(Cl)s1 ZINC000021516160 171312213 /nfs/dbraw/zinc/31/22/13/171312213.db2.gz WWSWNFWKLRRSDO-UHFFFAOYSA-N -1 0 291.759 4.103 10 0 CIAERM CC[C@@H](C)c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000021520178 171315493 /nfs/dbraw/zinc/31/54/93/171315493.db2.gz HWWSLGQBPLCSFA-CYBMUJFWSA-N -1 0 284.355 4.477 10 0 CIAERM CC(C)c1ccc(Sc2cc(C(=O)[O-])ccn2)cc1 ZINC000021805768 171327464 /nfs/dbraw/zinc/32/74/64/171327464.db2.gz LXKJUCHLEZPILO-UHFFFAOYSA-N -1 0 273.357 4.054 10 0 CIAERM O=C([O-])CCOc1ccc(Cl)cc1C1CCCCC1 ZINC000022141204 171355132 /nfs/dbraw/zinc/35/51/32/171355132.db2.gz ZHWIAECJQUFYPY-UHFFFAOYSA-N -1 0 282.767 4.241 10 0 in-vivo CIAERM O=C([O-])c1nc(Nc2cccc3ccccc32)ccc1Cl ZINC000022148480 171357519 /nfs/dbraw/zinc/35/75/19/171357519.db2.gz XIISGNLCTNYTJT-UHFFFAOYSA-N -1 0 298.729 4.330 10 0 CIAERM Cc1ccc(Cl)cc1Nc1ccc(Cl)c(C(=O)[O-])n1 ZINC000022152131 171358923 /nfs/dbraw/zinc/35/89/23/171358923.db2.gz KVNWHVRYUBYCBL-UHFFFAOYSA-N -1 0 297.141 4.139 10 0 CIAERM COc1ccc(C(=O)[O-])cc1-c1ccccc1C(F)(F)F ZINC000033428073 171795148 /nfs/dbraw/zinc/79/51/48/171795148.db2.gz CPLWITCELFVBRI-UHFFFAOYSA-N -1 0 296.244 4.079 10 0 CIAERM Cc1oc(CSc2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000035189178 172043875 /nfs/dbraw/zinc/04/38/75/172043875.db2.gz BGJNPGVBTDDZPI-UHFFFAOYSA-N -1 0 276.357 4.195 10 0 CIAERM Cc1oc(CSc2cc(C)ccc2C)cc1C(=O)[O-] ZINC000035189182 172044213 /nfs/dbraw/zinc/04/42/13/172044213.db2.gz JXHOZOJDFVKOIP-UHFFFAOYSA-N -1 0 276.357 4.195 10 0 CIAERM O=C([O-])CCCCC(F)(F)c1ccc(Cl)cc1 ZINC000035324647 172126638 /nfs/dbraw/zinc/12/66/38/172126638.db2.gz MCXRVINXHDTNCJ-UHFFFAOYSA-N -1 0 262.683 4.077 10 0 CIAERM O=C([O-])c1ccc(Sc2nccc3sccc32)cc1 ZINC000035687655 172355784 /nfs/dbraw/zinc/35/57/84/172355784.db2.gz LPGAURYJIMTFKJ-UHFFFAOYSA-N -1 0 287.365 4.146 10 0 CIAERM C[C@@H](Nc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000037308063 173110942 /nfs/dbraw/zinc/11/09/42/173110942.db2.gz DCUJMRKUZSAUPA-SNVBAGLBSA-N -1 0 275.735 4.211 10 0 CIAERM C[C@H](Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000037308363 173111161 /nfs/dbraw/zinc/11/11/61/173111161.db2.gz PSVKQRMAHMDJAB-JTQLQIEISA-N -1 0 275.735 4.211 10 0 CIAERM C[C@H](Nc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000037308062 173111248 /nfs/dbraw/zinc/11/12/48/173111248.db2.gz DCUJMRKUZSAUPA-JTQLQIEISA-N -1 0 275.735 4.211 10 0 CIAERM Cc1c2cccc(-c3ccccc3)c2oc1C(=O)[O-] ZINC000037337190 173138904 /nfs/dbraw/zinc/13/89/04/173138904.db2.gz RIHLVKASCLAUFN-UHFFFAOYSA-N -1 0 252.269 4.106 10 0 CIAERM Cc1ccc(C(=O)CC2(CC(=O)[O-])CCCCC2)s1 ZINC000037364752 173153699 /nfs/dbraw/zinc/15/36/99/173153699.db2.gz UQLCSCOWUFFPKX-UHFFFAOYSA-N -1 0 280.389 4.055 10 0 CIAERM CCCCC[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000037528322 173252367 /nfs/dbraw/zinc/25/23/67/173252367.db2.gz XAQAHKKFFDFULD-GFCCVEGCSA-N -1 0 254.757 4.164 10 0 CIAERM O=C([O-])[C@@H](Cc1ccc(Cl)s1)Cc1ccc(F)cc1 ZINC000037528291 173252433 /nfs/dbraw/zinc/25/24/33/173252433.db2.gz SGALOLPTUOJQHW-SNVBAGLBSA-N -1 0 298.766 4.027 10 0 CIAERM O=C([O-])c1cc(-c2cccc3ccccc32)ccc1F ZINC000038068123 174079767 /nfs/dbraw/zinc/07/97/67/174079767.db2.gz OCBIFBNWIDUXRO-UHFFFAOYSA-N -1 0 266.271 4.344 10 0 CIAERM O=C([O-])c1cc(F)ccc1-c1ccc2ccccc2c1 ZINC000038068181 174079907 /nfs/dbraw/zinc/07/99/07/174079907.db2.gz NOJKFXTUAVEMNB-UHFFFAOYSA-N -1 0 266.271 4.344 10 0 CIAERM COc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000038068809 174080344 /nfs/dbraw/zinc/08/03/44/174080344.db2.gz FORBWSNZIKDJFD-UHFFFAOYSA-N -1 0 297.137 4.367 10 0 CIAERM CCc1cccc2c3c([nH]c21)[C@@](C)(CC(=O)[O-])CCCC3 ZINC000039202928 174165651 /nfs/dbraw/zinc/16/56/51/174165651.db2.gz ANCQCANKLZYCGU-GOSISDBHSA-N -1 0 285.387 4.189 10 0 CIAERM O=C([O-])Cc1cc(-c2ccccc2)cc2ccccc21 ZINC000039212939 174166269 /nfs/dbraw/zinc/16/62/69/174166269.db2.gz BIWYMOQZZQLKHL-UHFFFAOYSA-N -1 0 262.308 4.134 10 0 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CIAERM COc1ccc(Cl)cc1-c1ccc(C)cc1C(=O)[O-] ZINC000065354177 175720898 /nfs/dbraw/zinc/72/08/98/175720898.db2.gz DEUGQARZFTUXAB-UHFFFAOYSA-N -1 0 276.719 4.022 10 0 CIAERM Cc1cccc2c(C(=O)[O-])c(Cl)n(Cc3ccccc3)c21 ZINC000071465282 176181552 /nfs/dbraw/zinc/18/15/52/176181552.db2.gz ODHZABZPCCGEBG-UHFFFAOYSA-N -1 0 299.757 4.350 10 0 CIAERM CC(C)[C@H](CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000071576087 176203700 /nfs/dbraw/zinc/20/37/00/176203700.db2.gz SVNAELHFEZGRPW-ZDUSSCGKSA-N -1 0 254.757 4.335 10 0 CIAERM Cc1[nH]c2ccccc2c1[C@@H](C)CCCCC(=O)[O-] ZINC000071585411 176211084 /nfs/dbraw/zinc/21/10/84/176211084.db2.gz OCLAEQTXSLPHHJ-NSHDSACASA-N -1 0 259.349 4.225 10 0 CIAERM CCCc1ccc([C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC000071586693 176213111 /nfs/dbraw/zinc/21/31/11/176213111.db2.gz IKCHNXFQIIOFGL-MRXNPFEDSA-N -1 0 260.377 4.388 10 0 CIAERM CC(C)[C@@H](CC(=O)[O-])c1ccc(OC(C)(C)C)cc1 ZINC000071596895 176220271 /nfs/dbraw/zinc/22/02/71/176220271.db2.gz SVZUQNXSRFEECS-CQSZACIVSA-N -1 0 264.365 4.078 10 0 CIAERM CCN(c1cccc(C)c1)c1ccc(C(=O)[O-])cc1C ZINC000071600633 176226777 /nfs/dbraw/zinc/22/67/77/176226777.db2.gz BINYRXDWODAAJA-UHFFFAOYSA-N -1 0 269.344 4.160 10 0 CIAERM O=C([O-])C1(c2ccccc2Cl)CC2(C1)CCCC2 ZINC000076369959 177006849 /nfs/dbraw/zinc/00/68/49/177006849.db2.gz WEVSWAGCSRHRBE-UHFFFAOYSA-N -1 0 264.752 4.017 10 0 CIAERM O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000076413388 177020821 /nfs/dbraw/zinc/02/08/21/177020821.db2.gz MNYKWNUPLPQNSM-UHFFFAOYSA-N -1 0 272.247 4.132 10 0 CIAERM CCCc1ccc([C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000076720753 177069814 /nfs/dbraw/zinc/06/98/14/177069814.db2.gz OSJWCFXQNFIXGD-AWEZNQCLSA-N -1 0 274.385 4.307 10 0 CIAERM CCCc1ccc([C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000076720750 177069907 /nfs/dbraw/zinc/06/99/07/177069907.db2.gz OSJWCFXQNFIXGD-CQSZACIVSA-N -1 0 274.385 4.307 10 0 CIAERM Cc1cccc(CC[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000076720740 177070019 /nfs/dbraw/zinc/07/00/19/177070019.db2.gz RHFUJNTZBKUOBT-CQSZACIVSA-N -1 0 274.385 4.248 10 0 CIAERM C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000263384618 330053619 /nfs/dbraw/zinc/05/36/19/330053619.db2.gz CNUGARHFWQHXSX-ACJLOTCBSA-N -1 0 295.382 4.113 10 0 CIAERM CC(C)(C)c1ccc(-c2cc(O)ccc2C(=O)[O-])cc1 ZINC000536950187 330382193 /nfs/dbraw/zinc/38/21/93/330382193.db2.gz LVRSXBXPXZTKHC-UHFFFAOYSA-N -1 0 270.328 4.055 10 0 CIAERM C[C@@H]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000230176267 333315631 /nfs/dbraw/zinc/31/56/31/333315631.db2.gz ITKOFIBOTWSLPU-VXNVDRBHSA-N -1 0 288.174 4.074 10 0 CIAERM CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H](SCC(C)C)C1 ZINC000062765691 520829567 /nfs/dbraw/zinc/82/95/67/520829567.db2.gz ZRJXWEXTFWUSCR-JHJVBQTASA-N -1 0 258.427 4.045 10 0 CIAERM CC[C@@H](C)c1ccccc1Oc1ccc(C(=O)[O-])o1 ZINC000050907468 522438719 /nfs/dbraw/zinc/43/87/19/522438719.db2.gz ZSECSCUPRFEDIX-SNVBAGLBSA-N -1 0 260.289 4.284 10 0 CIAERM CC(C)c1nc(Cc2cccc(Cl)c2)sc1C(=O)[O-] ZINC000062490786 519865319 /nfs/dbraw/zinc/86/53/19/519865319.db2.gz 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/nfs/dbraw/zinc/12/26/22/524122622.db2.gz PQMFHAUSABQEGG-ZCFIWIBFSA-N -1 0 297.565 4.279 10 0 CIAERM C[C@@H]1CCC[C@H](N(C)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000061848220 524389803 /nfs/dbraw/zinc/38/98/03/524389803.db2.gz IZNKBHODHKTKIP-MNOVXSKESA-N -1 0 281.783 4.053 10 0 CIAERM Cc1cccc(Sc2cc(C)ccc2C(=O)[O-])c1 ZINC000054554272 524811510 /nfs/dbraw/zinc/81/15/10/524811510.db2.gz IKNMRVANCOAFOT-UHFFFAOYSA-N -1 0 258.342 4.153 10 0 CIAERM Cc1ccccc1CS[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062767473 525183475 /nfs/dbraw/zinc/18/34/75/525183475.db2.gz XWYMXYVGSCVLIY-LSDHHAIUSA-N -1 0 278.417 4.262 10 0 CIAERM C[C@H](Nc1cc(Cl)ccc1C(=O)[O-])c1ccsc1 ZINC000062787669 525643876 /nfs/dbraw/zinc/64/38/76/525643876.db2.gz XIORIRZNJPGDPB-QMMMGPOBSA-N -1 0 281.764 4.273 10 0 CIAERM O=C([O-])[C@]1(Cc2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H]1C2 ZINC000054631708 526337091 /nfs/dbraw/zinc/33/70/91/526337091.db2.gz KSZXSKNZUWPZJL-ISOBSLSZSA-N -1 0 299.197 4.427 10 0 CIAERM O=C([O-])c1ccc(Nc2cccc3ccccc32)cc1 ZINC000050912933 526381027 /nfs/dbraw/zinc/38/10/27/526381027.db2.gz QXTNRERVIYSJRF-UHFFFAOYSA-N -1 0 263.296 4.282 10 0 CIAERM CCC[C@H](CC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000675074026 570367376 /nfs/dbraw/zinc/36/73/76/570367376.db2.gz QHJCDBQXFQMRNX-CYBMUJFWSA-N -1 0 276.376 4.058 10 0 CIAERM O=C([O-])c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000031460625 567885056 /nfs/dbraw/zinc/88/50/56/567885056.db2.gz HTKGKUISLUERQX-UHFFFAOYSA-N -1 0 298.729 4.330 10 0 in-vitro CIAERM Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)[O-] ZINC000082481409 178052031 /nfs/dbraw/zinc/05/20/31/178052031.db2.gz KLNUVIRRCNHCNM-UHFFFAOYSA-N -1 0 282.126 4.062 10 0 CIAERM Cc1ccc(Nc2c(C)cccc2C)c(C(=O)[O-])c1 ZINC000082716194 178231062 /nfs/dbraw/zinc/23/10/62/178231062.db2.gz JOXPQVQKTURDSS-UHFFFAOYSA-N -1 0 255.317 4.054 10 0 CIAERM Cc1nc(C(=O)[O-])c(-c2ccc(Cl)cc2Cl)s1 ZINC000083239508 178366700 /nfs/dbraw/zinc/36/67/00/178366700.db2.gz FDAOMZKRYLOKMC-UHFFFAOYSA-N -1 0 288.155 4.124 10 0 CIAERM CSc1ccc(/C(=C/CCC(=O)[O-])C(C)C)cc1 ZINC000096890832 185123849 /nfs/dbraw/zinc/12/38/49/185123849.db2.gz AJHUCIADCMANFE-LHHJGKSTSA-N -1 0 264.390 4.313 10 0 CIAERM Cc1csc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000085476761 179079416 /nfs/dbraw/zinc/07/94/16/179079416.db2.gz NYDGWUXUODPEFI-UHFFFAOYSA-N -1 0 286.274 4.441 10 0 CIAERM CC[C@H](C)c1cc(C(=O)[O-])c2c(C)ccc(C)c2n1 ZINC000103971830 185872199 /nfs/dbraw/zinc/87/21/99/185872199.db2.gz PXLOCJAWZNXOLT-VIFPVBQESA-N -1 0 257.333 4.063 10 0 CIAERM Cc1ccc(C)c(Oc2ccc(C(=O)[O-])cc2C)c1 ZINC000104149873 185912704 /nfs/dbraw/zinc/91/27/04/185912704.db2.gz HPPXLDHPGMJFNY-UHFFFAOYSA-N -1 0 256.301 4.102 10 0 CIAERM C[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2C(=O)[O-])C1 ZINC000104168685 185916273 /nfs/dbraw/zinc/91/62/73/185916273.db2.gz SWPGKJLOLURKTF-NXEZZACHSA-N -1 0 267.756 4.029 10 0 CIAERM O=C1c2c(cc([O-])c(Cl)c2Cl)C[C@@H]1C1CCCC1 ZINC000091366522 180143211 /nfs/dbraw/zinc/14/32/11/180143211.db2.gz AZOKCOPZUKSMEY-SECBINFHSA-N -1 0 285.170 4.244 10 0 CIAERM CCCC[C@H](C)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000110260509 186289599 /nfs/dbraw/zinc/28/95/99/186289599.db2.gz IGGMPSQVQVWKHW-VIFPVBQESA-N -1 0 255.745 4.029 10 0 CIAERM Cc1cc(C(=O)[O-])ccc1NCCC1CCCCC1 ZINC000110260362 186289611 /nfs/dbraw/zinc/28/96/11/186289611.db2.gz OUXMNBWASQIJHI-UHFFFAOYSA-N -1 0 261.365 4.076 10 0 CIAERM Cc1cc(C)cc(Oc2ccc(C(=O)[O-])cc2C)c1 ZINC000110447972 186297019 /nfs/dbraw/zinc/29/70/19/186297019.db2.gz ONRBHOYZADGGMK-UHFFFAOYSA-N -1 0 256.301 4.102 10 0 CIAERM CC(C)(C)c1cc(C(=O)[S-])cc(C(C)(C)C)c1O ZINC000005284255 170082640 /nfs/dbraw/zinc/08/26/40/170082640.db2.gz BNSANEFDYWQTKO-UHFFFAOYSA-N -1 0 266.406 4.057 10 0 CIAERM CC(C)CCCCCCOC(=O)c1ccccc1C(=O)[O-] ZINC000005758369 170137489 /nfs/dbraw/zinc/13/74/89/170137489.db2.gz RNCMBSSLYOAVRT-UHFFFAOYSA-N -1 0 292.375 4.148 10 0 in-vitro CIAERM O=C([O-])c1cccc(-c2cc3cc(Cl)ccc3o2)c1 ZINC000006744975 170239016 /nfs/dbraw/zinc/23/90/16/170239016.db2.gz QZCBSSATEMKGBQ-UHFFFAOYSA-N -1 0 272.687 4.451 10 0 CIAERM O=C([O-])c1cc(Cl)ccc1Sc1cccc(F)c1 ZINC000006926148 170255666 /nfs/dbraw/zinc/25/56/66/170255666.db2.gz QDXDHRLUBBJGKM-UHFFFAOYSA-N -1 0 282.723 4.329 10 0 CIAERM CC(C)(c1ccccc1)c1ccc2occ(CC(=O)[O-])c2c1 ZINC000008028806 170314734 /nfs/dbraw/zinc/31/47/34/170314734.db2.gz SVBOVPBPDKQEAX-UHFFFAOYSA-N -1 0 294.350 4.386 10 0 CIAERM CC(C)[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000011832445 170444896 /nfs/dbraw/zinc/44/48/96/170444896.db2.gz PLOOQFBTSVWHIN-SNVBAGLBSA-N -1 0 279.188 4.195 10 0 CIAERM C[C@@H](Oc1ccc(Cl)cc1C1CCCCC1)C(=O)[O-] ZINC000013986074 170613940 /nfs/dbraw/zinc/61/39/40/170613940.db2.gz ZZLKPPSJSXVBKA-SNVBAGLBSA-N -1 0 282.767 4.240 10 0 CIAERM Cc1c(C(=O)[O-])nn(-c2ccc(C(C)C)cc2)c1C(C)C ZINC000019045104 170751264 /nfs/dbraw/zinc/75/12/64/170751264.db2.gz RUYKWBLZMUXNMS-UHFFFAOYSA-N -1 0 286.375 4.126 10 0 CIAERM CC(C)(C)c1ccc(C(F)(F)CCCC(=O)[O-])cc1 ZINC000020423391 171190308 /nfs/dbraw/zinc/19/03/08/171190308.db2.gz KAIGTVSTAZSQAW-UHFFFAOYSA-N -1 0 270.319 4.331 10 0 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283.371 4.429 10 0 CIAERM Cc1ccc(C)c(Sc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC000021049598 171294814 /nfs/dbraw/zinc/29/48/14/171294814.db2.gz LURGXRUXBRLEAD-UHFFFAOYSA-N -1 0 293.775 4.201 10 0 CIAERM CC[C@H]1CCc2nc3ccc(Cl)cc3c(C(=O)[O-])c2C1 ZINC000021061111 171297296 /nfs/dbraw/zinc/29/72/96/171297296.db2.gz JTWNZOKFEVBMSC-VIFPVBQESA-N -1 0 289.762 4.101 10 0 CIAERM Cc1ccc(Sc2ncc(C(=O)[O-])cc2Cl)cc1C ZINC000021816590 171332457 /nfs/dbraw/zinc/33/24/57/171332457.db2.gz FUPLBVVYONFDRW-UHFFFAOYSA-N -1 0 293.775 4.201 10 0 CIAERM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)ccc1O ZINC000021950551 171339468 /nfs/dbraw/zinc/33/94/68/171339468.db2.gz HHKGOWRQGQAEQL-UHFFFAOYSA-N -1 0 283.110 4.064 10 0 CIAERM Cc1ccc(Oc2ccc(Cl)cc2)c(CC(=O)[O-])c1 ZINC000028765946 171573905 /nfs/dbraw/zinc/57/39/05/171573905.db2.gz CZHASCLAFCARNW-UHFFFAOYSA-N -1 0 276.719 4.068 10 0 CIAERM CC(C)c1ccccc1Oc1cccc(C(=O)[O-])c1 ZINC000034499827 171842372 /nfs/dbraw/zinc/84/23/72/171842372.db2.gz MLKUVCUNHLVLTL-UHFFFAOYSA-N -1 0 256.301 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CIAERM CC(C)c1ccc(Cc2ccccc2C(=O)[O-])cc1 ZINC000005761604 170138079 /nfs/dbraw/zinc/13/80/79/170138079.db2.gz XPRRFYQYOQSCRG-UHFFFAOYSA-N -1 0 254.329 4.099 10 0 CIAERM O=C([O-])CCc1ccc(-c2ccccc2Cl)cc1 ZINC000005766761 170138959 /nfs/dbraw/zinc/13/89/59/170138959.db2.gz WROMQWDAARAOMP-UHFFFAOYSA-N -1 0 260.720 4.024 10 0 CIAERM CCCCC[C@H](O)/C=C/C=C/CCCCCCC(=O)[O-] ZINC000005820763 170144213 /nfs/dbraw/zinc/14/42/13/170144213.db2.gz INVCGLRLLKLTGP-SGLPGLRQSA-N -1 0 282.424 4.465 10 0 CIAERM Cc1cccc(C[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000011588954 170423782 /nfs/dbraw/zinc/42/37/82/170423782.db2.gz DRUCENQPWKDCQL-OAHLLOKOSA-N -1 0 274.747 4.059 10 0 CIAERM O=C([O-])[C@H](Cc1ccccc1Cl)c1cccc(Cl)c1 ZINC000011588971 170424304 /nfs/dbraw/zinc/42/43/04/170424304.db2.gz MFUZWQHDUVPDFR-CYBMUJFWSA-N -1 0 295.165 4.404 10 0 CIAERM O=C([O-])c1cccc(COc2cc(Cl)cc(Cl)c2)c1 ZINC000011953038 170461498 /nfs/dbraw/zinc/46/14/98/170461498.db2.gz GIHRVJXKJWUGBA-UHFFFAOYSA-N -1 0 297.137 4.271 10 0 CIAERM CC(C)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000011993888 170465786 /nfs/dbraw/zinc/46/57/86/170465786.db2.gz UMZCLRYEISZZFN-UHFFFAOYSA-N -1 0 256.301 4.301 10 0 CIAERM O=C([O-])c1cc2ccccc2n1Cc1cccc(Cl)c1 ZINC000013588853 170566878 /nfs/dbraw/zinc/56/68/78/170566878.db2.gz CVPGDWLGSKSTNB-UHFFFAOYSA-N -1 0 285.730 4.041 10 0 CIAERM O=C([O-])CCCCC1c2ccccc2-c2ccccc21 ZINC000013741268 170585933 /nfs/dbraw/zinc/58/59/33/170585933.db2.gz UETWEUAAPBKSSL-UHFFFAOYSA-N -1 0 266.340 4.444 10 0 CIAERM CCSc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000015441597 170666401 /nfs/dbraw/zinc/66/64/01/170666401.db2.gz PXNLJDZBBKRHNK-UHFFFAOYSA-N -1 0 258.342 4.164 10 0 CIAERM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000019726586 170845600 /nfs/dbraw/zinc/84/56/00/170845600.db2.gz IQDZWDXQPBGLFO-GFCCVEGCSA-N -1 0 273.159 4.352 10 0 CIAERM CC(C)c1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000020362204 171160848 /nfs/dbraw/zinc/16/08/48/171160848.db2.gz BEWWYPWECRDXTK-UHFFFAOYSA-N -1 0 289.762 4.421 10 0 CIAERM CC(C)c1ccc(Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC000020391620 171180200 /nfs/dbraw/zinc/18/02/00/171180200.db2.gz UXJXQUAKTHVIKY-UHFFFAOYSA-N -1 0 270.328 4.229 10 0 CIAERM CC(C)Cc1ccc(C(F)(F)CCCC(=O)[O-])cc1 ZINC000020423399 171190151 /nfs/dbraw/zinc/19/01/51/171190151.db2.gz ARJNEBJWJPXCLI-UHFFFAOYSA-N -1 0 270.319 4.232 10 0 CIAERM Cc1cc(C)c(C)c(Oc2ccccc2C(=O)[O-])c1 ZINC000020425639 171191953 /nfs/dbraw/zinc/19/19/53/171191953.db2.gz DQUQUCIIFUBMEN-UHFFFAOYSA-N -1 0 256.301 4.102 10 0 CIAERM CC[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1C(=O)[O-] ZINC000020548522 171245905 /nfs/dbraw/zinc/24/59/05/171245905.db2.gz RBCQHWHOGSOIQG-CMPLNLGQSA-N -1 0 282.767 4.386 10 0 CIAERM O=C([O-])c1ccc(NCc2ccccc2Cl)cc1Cl ZINC000020881399 171277640 /nfs/dbraw/zinc/27/76/40/171277640.db2.gz IZHCKUWSXOUWJP-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM O=C([O-])c1ccc(Cl)c(NCc2ccc(Cl)cc2)c1 ZINC000020879909 171277828 /nfs/dbraw/zinc/27/78/28/171277828.db2.gz IBEMUTJMOKEWML-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM Cc1cc(Oc2ccc(Cl)c(C(=O)[O-])n2)ccc1Cl ZINC000021010425 171286758 /nfs/dbraw/zinc/28/67/58/171286758.db2.gz PXBSZIZZMMQYPP-UHFFFAOYSA-N -1 0 298.125 4.187 10 0 CIAERM CC(C)(C)[C@@H]1CCCc2c1nc1ccccc1c2C(=O)[O-] ZINC000021038291 171292882 /nfs/dbraw/zinc/29/28/82/171292882.db2.gz LAFPWTWYZYOXAK-CYBMUJFWSA-N -1 0 283.371 4.399 10 0 CIAERM Cc1cc(Oc2cc(C(=O)[O-])ccn2)ccc1C(C)C ZINC000021515419 171311808 /nfs/dbraw/zinc/31/18/08/171311808.db2.gz ZJXFHOJEEYETJD-UHFFFAOYSA-N -1 0 271.316 4.004 10 0 CIAERM O=C([O-])c1nc(Oc2ccc3ccccc3c2)ccc1Cl ZINC000021518041 171314153 /nfs/dbraw/zinc/31/41/53/171314153.db2.gz UTHDOPVSFXHWLI-UHFFFAOYSA-N -1 0 299.713 4.379 10 0 CIAERM O=C([O-])c1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000021816073 171332403 /nfs/dbraw/zinc/33/24/03/171332403.db2.gz VXHNKTZEYGPVGT-UHFFFAOYSA-N -1 0 282.217 4.196 10 0 CIAERM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)ccc1F ZINC000021950636 171339157 /nfs/dbraw/zinc/33/91/57/171339157.db2.gz MOXKDOTUCMUNTN-UHFFFAOYSA-N -1 0 285.101 4.498 10 0 CIAERM CC(C)(C)c1cc(OCCC(=O)[O-])cc(C(C)(C)C)c1 ZINC000021965051 171343560 /nfs/dbraw/zinc/34/35/60/171343560.db2.gz ZNYWVZSTNXYYOO-UHFFFAOYSA-N -1 0 278.392 4.135 10 0 CIAERM C[C@@H](C(=O)[O-])c1ccccc1Sc1ccccc1 ZINC000033824164 171821833 /nfs/dbraw/zinc/82/18/33/171821833.db2.gz HKPDQCFSNKWQOH-LLVKDONJSA-N -1 0 258.342 4.026 10 0 CIAERM Cc1ccc(C(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000035121167 171990317 /nfs/dbraw/zinc/99/03/17/171990317.db2.gz CQRFVEISRWDNAI-UHFFFAOYSA-N -1 0 284.355 4.396 10 0 CIAERM Cc1oc(CSc2ccccc2Cl)cc1C(=O)[O-] ZINC000035189161 172044250 /nfs/dbraw/zinc/04/42/50/172044250.db2.gz RDZKFYCOJKNZLB-UHFFFAOYSA-N -1 0 282.748 4.232 10 0 CIAERM CCC(CC)(Cc1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000035412342 172183945 /nfs/dbraw/zinc/18/39/45/172183945.db2.gz AXTJEAYCITUTKU-UHFFFAOYSA-N -1 0 297.807 4.383 10 0 CIAERM O=C([O-])c1cc(Cl)cc(Cl)c1OC1CCCCC1 ZINC000035662517 172340556 /nfs/dbraw/zinc/34/05/56/172340556.db2.gz LGIVXGPVUIOSHQ-UHFFFAOYSA-N -1 0 289.158 4.403 10 0 CIAERM O=C([O-])c1ccc(NCc2cccc(Cl)c2Cl)cc1 ZINC000037115352 172966489 /nfs/dbraw/zinc/96/64/89/172966489.db2.gz MDIIWDHSIAVZFS-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM C[C@@H](Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000037308364 173110888 /nfs/dbraw/zinc/11/08/88/173110888.db2.gz PSVKQRMAHMDJAB-SNVBAGLBSA-N -1 0 275.735 4.211 10 0 CIAERM Cc1cccc2oc(CC3(C(=O)[O-])CCCCCC3)nc21 ZINC000038052664 174063890 /nfs/dbraw/zinc/06/38/90/174063890.db2.gz DFTLYFJSFISETA-UHFFFAOYSA-N -1 0 287.359 4.104 10 0 CIAERM Cc1cc(C)c(-c2cc(F)ccc2C(=O)[O-])c(C)c1 ZINC000038068691 174080428 /nfs/dbraw/zinc/08/04/28/174080428.db2.gz KJDHDIBJMCWRJH-UHFFFAOYSA-N -1 0 258.292 4.116 10 0 CIAERM O=C([O-])Cc1cccc2ccc(-c3ccccc3)cc21 ZINC000039212940 174166147 /nfs/dbraw/zinc/16/61/47/174166147.db2.gz CLBBVKLWUWJUCO-UHFFFAOYSA-N -1 0 262.308 4.134 10 0 CIAERM Cc1c2cc(C(C)C)cc(Br)c2oc1C(=O)[O-] ZINC000040541715 174322766 /nfs/dbraw/zinc/32/27/66/174322766.db2.gz WQBFDVWVGHOAAV-UHFFFAOYSA-N -1 0 297.148 4.325 10 0 CIAERM Cc1ccc(-c2nc(C(C)(C)C)sc2CC(=O)[O-])cc1 ZINC000040541667 174322821 /nfs/dbraw/zinc/32/28/21/174322821.db2.gz VTGSPAGRYXDJHM-UHFFFAOYSA-N -1 0 289.400 4.043 10 0 CIAERM O=C([O-])c1nc(-c2ccccc2)oc1Sc1ccccc1 ZINC000040541638 174322900 /nfs/dbraw/zinc/32/29/00/174322900.db2.gz RZSSBOJOXNPITP-UHFFFAOYSA-N -1 0 297.335 4.191 10 0 CIAERM Cc1cccc(C[C@@H](Cc2cc(C)ccc2C)C(=O)[O-])c1 ZINC000041439409 174553158 /nfs/dbraw/zinc/55/31/58/174553158.db2.gz NGQGHGRQLIZJMG-SFHVURJKSA-N -1 0 282.383 4.098 10 0 CIAERM Nc1c(Cl)cc(Cl)cc1Nc1ccccc1C(=O)[O-] ZINC000045820295 175384668 /nfs/dbraw/zinc/38/46/68/175384668.db2.gz BZDJUKVZRHJGLV-UHFFFAOYSA-N -1 0 297.141 4.017 10 0 CIAERM Cc1ccc(C(=O)[O-])c(Oc2ccc(C(C)(C)C)cc2)n1 ZINC000054552836 175562181 /nfs/dbraw/zinc/56/21/81/175562181.db2.gz QJXAWIBQCRMIJI-UHFFFAOYSA-N -1 0 285.343 4.178 10 0 CIAERM CC(C)c1cc(Nc2cccc(C(=O)[O-])c2)nc(C(C)C)n1 ZINC000070455743 175940344 /nfs/dbraw/zinc/94/03/44/175940344.db2.gz QZZRXDYWHRTJKE-UHFFFAOYSA-N -1 0 299.374 4.165 10 0 CIAERM C[C@@H](C(=O)[O-])n1c2ccccc2cc1-c1ccc(F)cc1 ZINC000070463041 175944123 /nfs/dbraw/zinc/94/41/23/175944123.db2.gz GIUALYURZMOBBB-NSHDSACASA-N -1 0 283.302 4.093 10 0 CIAERM C[C@H](C(=O)[O-])n1c2ccccc2cc1-c1ccc(F)cc1 ZINC000070463042 175944310 /nfs/dbraw/zinc/94/43/10/175944310.db2.gz GIUALYURZMOBBB-LLVKDONJSA-N -1 0 283.302 4.093 10 0 CIAERM Cc1sc2[n-]c(=S)n([C@H]3CCC[C@H]3C)c(=O)c2c1C ZINC000071208820 176081633 /nfs/dbraw/zinc/08/16/33/176081633.db2.gz NYRKSEFWLPIHOZ-XCBNKYQSSA-N -1 0 294.445 4.099 10 0 CIAERM COc1ccc(/C(C)=C/CCCC(=O)[O-])cc1Cl ZINC000071599945 176225309 /nfs/dbraw/zinc/22/53/09/176225309.db2.gz OFJCUWOJTQQUHM-BJMVGYQFSA-N -1 0 268.740 4.007 10 0 CIAERM COc1c(C)cc(Cl)cc1[C@H](C)CCCC(=O)[O-] ZINC000071609282 176231030 /nfs/dbraw/zinc/23/10/30/176231030.db2.gz PWAGLAFWELCHNU-SECBINFHSA-N -1 0 270.756 4.015 10 0 CIAERM COc1cc(C)c(Cl)cc1[C@@H](C)CCCC(=O)[O-] ZINC000071609220 176231052 /nfs/dbraw/zinc/23/10/52/176231052.db2.gz CZGVEYGYZYCNNP-VIFPVBQESA-N -1 0 270.756 4.015 10 0 CIAERM C[C@H]1CCC[C@]1(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000076416393 177022029 /nfs/dbraw/zinc/02/20/29/177022029.db2.gz IRVJDYADOULZIK-ISVAXAHUSA-N -1 0 273.159 4.136 10 0 CIAERM CSc1ccc([C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000076656815 177045827 /nfs/dbraw/zinc/04/58/27/177045827.db2.gz BUGJDZYYNLTIFR-LBPRGKRZSA-N -1 0 252.379 4.013 10 0 CIAERM Cc1cc([C@@H](CC(=O)[O-])CC(C)C)c(C)n1C(C)C ZINC000076681761 177058742 /nfs/dbraw/zinc/05/87/42/177058742.db2.gz UDWDFRHAZLHBHZ-CQSZACIVSA-N -1 0 265.397 4.290 10 0 CIAERM CCCS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000062764456 520566064 /nfs/dbraw/zinc/56/60/64/520566064.db2.gz IGOYXKRYXWERDL-QLFBSQMISA-N -1 0 278.417 4.167 10 0 CIAERM CCCS[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000062764459 520566388 /nfs/dbraw/zinc/56/63/88/520566388.db2.gz IGOYXKRYXWERDL-KKUMJFAQSA-N -1 0 278.417 4.167 10 0 CIAERM CCN(Cc1cccs1)c1ccc(C(=O)[O-])cc1Cl ZINC000062796263 521410530 /nfs/dbraw/zinc/41/05/30/521410530.db2.gz DEVJDBPBCHSRHJ-UHFFFAOYSA-N -1 0 295.791 4.126 10 0 CIAERM CC[C@H](C)c1ccccc1Oc1ccc(C(=O)[O-])o1 ZINC000050907471 522048415 /nfs/dbraw/zinc/04/84/15/522048415.db2.gz ZSECSCUPRFEDIX-JTQLQIEISA-N -1 0 260.289 4.284 10 0 CIAERM Cc1ccc(C)c(Sc2ccccc2C(=O)[O-])c1 ZINC000050913585 524202223 /nfs/dbraw/zinc/20/22/23/524202223.db2.gz UNXHUDPBNVNAOC-UHFFFAOYSA-N -1 0 258.342 4.153 10 0 CIAERM C[C@@H](C1CCCCC1)n1c(=O)c2ccsc2[n-]c1=S ZINC000052341784 524336872 /nfs/dbraw/zinc/33/68/72/524336872.db2.gz YUBJUNDNUIDXLS-VIFPVBQESA-N -1 0 294.445 4.262 10 0 CIAERM C[C@@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2ccc(Cl)cc2)C1 ZINC000062764518 524566092 /nfs/dbraw/zinc/56/60/92/524566092.db2.gz QQDQCDVEHOVAKH-OASPWFOLSA-N -1 0 284.808 4.322 10 0 CIAERM Cc1cccc(S[C@@H]2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000062766727 524812406 /nfs/dbraw/zinc/81/24/06/524812406.db2.gz DALFUUUHHWFDRE-UONOGXRCSA-N -1 0 264.390 4.121 10 0 CIAERM C[C@H]1CC=CC[C@@H]1COc1cccc(Cl)c1C(=O)[O-] ZINC000054553260 526235900 /nfs/dbraw/zinc/23/59/00/526235900.db2.gz HXWLDKUMYFLUFV-WDEREUQCSA-N -1 0 280.751 4.019 10 0 CIAERM C[C@@H]1CC=CC[C@@H]1COc1cccc(Cl)c1C(=O)[O-] ZINC000054553259 526236989 /nfs/dbraw/zinc/23/69/89/526236989.db2.gz HXWLDKUMYFLUFV-GHMZBOCLSA-N -1 0 280.751 4.019 10 0 CIAERM O=C([O-])c1ccc(Nc2ccc(F)c(Cl)c2)c(F)c1 ZINC000054527623 526380627 /nfs/dbraw/zinc/38/06/27/526380627.db2.gz YBOOWQVIDMMSFP-UHFFFAOYSA-N -1 0 283.661 4.060 10 0 CIAERM O=C([O-])C1(Cc2c(Cl)cccc2Cl)CCCC1 ZINC000054632488 527555276 /nfs/dbraw/zinc/55/52/76/527555276.db2.gz NMDVFLIIVGDEDY-UHFFFAOYSA-N -1 0 273.159 4.181 10 0 CIAERM CC(C)=CCC/C(C)=C/COc1ccc(C(=O)[O-])cc1 ZINC000084154280 560046171 /nfs/dbraw/zinc/04/61/71/560046171.db2.gz RMDHZUUXNBGDEM-SDNWHVSQSA-N -1 0 274.360 4.456 10 0 biogenic,in-vitro CIAERM CC(C)(C)[Si](C)(C)n1ccc2cc([S@](=O)[O-])ccc21 ZINC000675061871 567022912 /nfs/dbraw/zinc/02/29/12/567022912.db2.gz RDLDVXMHQFXOHW-UHFFFAOYSA-N -1 0 295.480 4.075 10 0 CIAERM CCC(C)(C)C1CCC(C(=O)[O-])(C(=O)OC(C)(C)C)CC1 ZINC000725244599 567908336 /nfs/dbraw/zinc/90/83/36/567908336.db2.gz ZOCMQOZVGIDGCR-UHFFFAOYSA-N -1 0 298.423 4.026 10 0 CIAERM C[C@H](c1cc(Br)sc1C(=O)[O-])C(C)(C)C ZINC000675057702 570365138 /nfs/dbraw/zinc/36/51/38/570365138.db2.gz IXYUVWCYBQFUGO-ZCFIWIBFSA-N -1 0 291.210 4.358 10 0 CIAERM Cc1cc(-c2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC000083446645 570366637 /nfs/dbraw/zinc/36/66/37/570366637.db2.gz NNVGBMGWXHOAGG-UHFFFAOYSA-N -1 0 252.722 4.075 10 0 CIAERM CCC[C@H](C)c1cc(Br)sc1C(=O)[O-] ZINC000675057530 570364757 /nfs/dbraw/zinc/36/47/57/570364757.db2.gz DWYIHQSEVXANDV-LURJTMIESA-N -1 0 277.183 4.112 10 0 CIAERM CCCc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000232244246 570410529 /nfs/dbraw/zinc/41/05/29/570410529.db2.gz KADBQLLFSHORCD-UHFFFAOYSA-N -1 0 258.292 4.143 10 0 CIAERM Cn1c2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000049883821 570412825 /nfs/dbraw/zinc/41/28/25/570412825.db2.gz OONMPYARGAQKFQ-UHFFFAOYSA-N -1 0 285.730 4.197 10 0 CIAERM Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC000082481385 178051638 /nfs/dbraw/zinc/05/16/38/178051638.db2.gz HAEADARIRVNOLA-UHFFFAOYSA-N -1 0 282.126 4.062 10 0 CIAERM Cc1ccc(Nc2cccc(Cl)c2C)c(C(=O)[O-])c1 ZINC000082716212 178230983 /nfs/dbraw/zinc/23/09/83/178230983.db2.gz LQFABMHNGSPSRC-UHFFFAOYSA-N -1 0 275.735 4.399 10 0 CIAERM CC(C)[C@H](CCCC(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000096890813 185123817 /nfs/dbraw/zinc/12/38/17/185123817.db2.gz FKYKOIPDEGWDLH-NSHDSACASA-N -1 0 272.747 4.474 10 0 CIAERM C[C@H](CCCCC(=O)[O-])c1cc(Cl)ccc1F ZINC000096890822 185124183 /nfs/dbraw/zinc/12/41/83/185124183.db2.gz UZWNQFAWVOJITJ-SECBINFHSA-N -1 0 258.720 4.228 10 0 CIAERM CCCS[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C(=O)[O-] ZINC000104185271 185918895 /nfs/dbraw/zinc/91/88/95/185918895.db2.gz HEZXMWHGLGQVPU-AGIUHOORSA-N -1 0 272.454 4.435 10 0 CIAERM CCCCCC[C@@H](C)Nc1cc(C)ccc1C(=O)[O-] ZINC000104185819 185919043 /nfs/dbraw/zinc/91/90/43/185919043.db2.gz WVTCBTFBFLVRPH-CYBMUJFWSA-N -1 0 263.381 4.464 10 0 CIAERM CC[C@@H]1CCCC[C@H]1Sc1nc(C)c(CC(=O)[O-])s1 ZINC000104411059 185991969 /nfs/dbraw/zinc/99/19/69/185991969.db2.gz JTTRXZKJOIKMRL-GHMZBOCLSA-N -1 0 299.461 4.140 10 0 CIAERM CC(C)c1nc(-c2ccc(F)c(Cl)c2)sc1C(=O)[O-] ZINC000107280458 186165256 /nfs/dbraw/zinc/16/52/56/186165256.db2.gz DMNXYLYLNHZJEV-UHFFFAOYSA-N -1 0 299.754 4.424 10 0 CIAERM Cc1cc(C(=O)[O-])ccc1S[C@H]1CCC[C@H](C)C1 ZINC000110267164 186289671 /nfs/dbraw/zinc/28/96/71/186289671.db2.gz YDZTZVUNFDVIQC-GWCFXTLKSA-N -1 0 264.390 4.364 10 0 CIAERM C[C@H](Sc1ccccc1Cl)c1ccc(C(=O)[O-])o1 ZINC000011832407 170445018 /nfs/dbraw/zinc/44/50/18/170445018.db2.gz RVNDZKFNZSVEIH-QMMMGPOBSA-N -1 0 282.748 4.485 10 0 CIAERM CC[C@H](C)C[C@@](CC)(Nc1ccccc1Cl)C(=O)[O-] ZINC000041656879 184550980 /nfs/dbraw/zinc/55/09/80/184550980.db2.gz SQMSTDJUISKXJM-XHDPSFHLSA-N -1 0 283.799 4.422 10 0 CIAERM O=C([O-])c1cc(-c2cccs2)nc2cc(Cl)ccc21 ZINC000000875162 169682149 /nfs/dbraw/zinc/68/21/49/169682149.db2.gz WBBZJTGFTKGWHM-UHFFFAOYSA-N -1 0 289.743 4.315 10 0 CIAERM O=C([O-])c1occ(-c2ccccc2)c1-c1ccccc1 ZINC000001764812 169756282 /nfs/dbraw/zinc/75/62/82/169756282.db2.gz KJVPADBZCZKNMP-UHFFFAOYSA-N -1 0 264.280 4.312 10 0 CIAERM CC(C)COc1cc(CC(=O)[O-])cc(-c2ccccc2)c1 ZINC000002032694 169770131 /nfs/dbraw/zinc/77/01/31/169770131.db2.gz UEEUXNYHDGTSTK-UHFFFAOYSA-N -1 0 284.355 4.016 10 0 CIAERM O=C([O-])c1ccccc1Nc1ccccc1C(F)(F)F ZINC000002046924 169772377 /nfs/dbraw/zinc/77/23/77/169772377.db2.gz ONKHJNFXJDEMNQ-UHFFFAOYSA-N -1 0 281.233 4.147 10 0 in-vivo CIAERM CC(C)c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000005592305 170117093 /nfs/dbraw/zinc/11/70/93/170117093.db2.gz ZIWJCNGUDPTZFO-UHFFFAOYSA-N -1 0 270.328 4.087 10 0 CIAERM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000005763404 170138284 /nfs/dbraw/zinc/13/82/84/170138284.db2.gz JJJCGMLNDUTSPD-UHFFFAOYSA-N -1 0 260.720 4.024 10 0 CIAERM O=C([O-])c1ccc(NCc2ccc(Cl)cc2Cl)cc1 ZINC000005927128 170156643 /nfs/dbraw/zinc/15/66/43/170156643.db2.gz IZAHXFGHDNHHIN-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM O=C([O-])c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000006889853 170253593 /nfs/dbraw/zinc/25/35/93/170253593.db2.gz BELMZDGADRSOPN-UHFFFAOYSA-N -1 0 297.137 4.271 10 0 CIAERM Cc1ccc(NCc2ccc(C(=O)[O-])s2)cc1Cl ZINC000006895922 170254017 /nfs/dbraw/zinc/25/40/17/170254017.db2.gz WLUZYCOTLFKWMH-UHFFFAOYSA-N -1 0 281.764 4.020 10 0 CIAERM CCCCOc1ccc2ccccc2c1CCC(=O)[O-] ZINC000008019580 170313992 /nfs/dbraw/zinc/31/39/92/170313992.db2.gz GVEMWJGWTSDUPX-UHFFFAOYSA-N -1 0 272.344 4.036 10 0 CIAERM O=C([O-])c1ccc(CSCc2ccc(Cl)cc2)cc1 ZINC000013354348 170546687 /nfs/dbraw/zinc/54/66/87/170546687.db2.gz IOGFWZPCQRRTJN-UHFFFAOYSA-N -1 0 292.787 4.472 10 0 CIAERM O=C([O-])Cc1c2cc(Cl)ccc2[nH]c1-c1cccs1 ZINC000019725524 170845220 /nfs/dbraw/zinc/84/52/20/170845220.db2.gz OHYRKMQAWZBDSN-UHFFFAOYSA-N -1 0 291.759 4.177 10 0 CIAERM Cc1ccc(Oc2cc(C(=O)[O-])ccn2)c(C(C)(C)C)c1 ZINC000020010318 170968418 /nfs/dbraw/zinc/96/84/18/170968418.db2.gz CEAMSZZEIPKTMX-UHFFFAOYSA-N -1 0 285.343 4.178 10 0 CIAERM O=C([O-])c1c(Cl)cccc1Oc1ccc(Cl)cc1 ZINC000020080732 170985800 /nfs/dbraw/zinc/98/58/00/170985800.db2.gz MIYARPPLDJFYHO-UHFFFAOYSA-N -1 0 283.110 4.484 10 0 CIAERM O=C([O-])c1ccc(CSC2CCCCC2)s1 ZINC000020395462 171181163 /nfs/dbraw/zinc/18/11/63/171181163.db2.gz WOPMCKZAEZZYAS-UHFFFAOYSA-N -1 0 256.392 4.012 10 0 CIAERM Cc1ccc(Cl)cc1Nc1ncc(C(=O)[O-])cc1Cl ZINC000020550123 171246760 /nfs/dbraw/zinc/24/67/60/171246760.db2.gz UWPWNKYTDXGJEV-UHFFFAOYSA-N -1 0 297.141 4.139 10 0 CIAERM O=C([O-])c1ccc(NCc2cccc(Cl)c2)cc1Cl ZINC000020881406 171277728 /nfs/dbraw/zinc/27/77/28/171277728.db2.gz WBVWXDFRMZZRCK-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM Cc1c(NCc2cccc3ccccc32)cccc1C(=O)[O-] ZINC000020879957 171277794 /nfs/dbraw/zinc/27/77/94/171277794.db2.gz GBMSFDJDNYEYAZ-UHFFFAOYSA-N -1 0 291.350 4.459 10 0 CIAERM O=C([O-])c1cc(NCc2ccccc2Cl)ccc1Cl ZINC000020881398 171277796 /nfs/dbraw/zinc/27/77/96/171277796.db2.gz IYPDDVPAQDTLMC-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM Cc1cc(Cl)ccc1Oc1ccc(Cl)c(C(=O)[O-])n1 ZINC000021015567 171289744 /nfs/dbraw/zinc/28/97/44/171289744.db2.gz ZFOZIVRDFWNBAN-UHFFFAOYSA-N -1 0 298.125 4.187 10 0 CIAERM Cc1ccc(-c2cc(C(=O)[O-])c3ccc(F)cc3n2)cc1 ZINC000021516529 171312741 /nfs/dbraw/zinc/31/27/41/171312741.db2.gz BTQVTRZTGDOGPF-UHFFFAOYSA-N -1 0 281.286 4.048 10 0 CIAERM O=C([O-])c1cnc(Oc2cccc3ccccc32)c(Cl)c1 ZINC000021801712 171326253 /nfs/dbraw/zinc/32/62/53/171326253.db2.gz KQCQORKFADKWNY-UHFFFAOYSA-N -1 0 299.713 4.379 10 0 CIAERM Cc1cc(C)c(Nc2ccc(Cl)c(C(=O)[O-])n2)c(C)c1 ZINC000021803511 171326755 /nfs/dbraw/zinc/32/67/55/171326755.db2.gz DIQOCWXGFSKZDI-UHFFFAOYSA-N -1 0 290.750 4.102 10 0 CIAERM COc1ccc(-c2cccc(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000021950929 171339823 /nfs/dbraw/zinc/33/98/23/171339823.db2.gz IVGNXKNJQKZNEM-UHFFFAOYSA-N -1 0 296.244 4.079 10 0 CIAERM CC(C)(C)c1ccc(CNc2cccc(C(=O)[O-])c2)cc1 ZINC000032128974 171714159 /nfs/dbraw/zinc/71/41/59/171714159.db2.gz UCDSAZOHNXEAFK-UHFFFAOYSA-N -1 0 283.371 4.294 10 0 CIAERM O=C([O-])C1(Cc2nc3cccc(Cl)c3s2)CCCC1 ZINC000035412369 172184001 /nfs/dbraw/zinc/18/40/01/172184001.db2.gz BZVDHAACCZGIEK-UHFFFAOYSA-N -1 0 295.791 4.137 10 0 CIAERM O=C([O-])C1(Cc2nc3cc(Cl)ccc3s2)CCCC1 ZINC000035412345 172184258 /nfs/dbraw/zinc/18/42/58/172184258.db2.gz LCGBRRWJQRBKLH-UHFFFAOYSA-N -1 0 295.791 4.137 10 0 CIAERM O=C([O-])c1ccc(NCc2ccccc2C(F)(F)F)cc1 ZINC000037115416 172966509 /nfs/dbraw/zinc/96/65/09/172966509.db2.gz OPCPGARQBHYBJK-UHFFFAOYSA-N -1 0 295.260 4.016 10 0 CIAERM O=C([O-])c1ccccc1-c1nc2cccc(Cl)c2s1 ZINC000037195282 173023711 /nfs/dbraw/zinc/02/37/11/173023711.db2.gz ZGMWWNHSHMLEMN-UHFFFAOYSA-N -1 0 289.743 4.315 10 0 CIAERM O=C([O-])c1sc2ccccc2c1COC1CCCC1 ZINC000037337373 173138435 /nfs/dbraw/zinc/13/84/35/173138435.db2.gz RJWNNQRJYSRBPN-UHFFFAOYSA-N -1 0 276.357 4.059 10 0 CIAERM C[C@H]1C[C@@H]1c1ccc(/C=C(\C(=O)[O-])c2cccs2)o1 ZINC000037375690 173164978 /nfs/dbraw/zinc/16/49/78/173164978.db2.gz FUZLQZFAFPLPBW-DGEAUNFPSA-N -1 0 274.341 4.090 10 0 CIAERM C[C@H]1C[C@H]1c1ccc(/C=C(\C(=O)[O-])c2cccs2)o1 ZINC000037375696 173165441 /nfs/dbraw/zinc/16/54/41/173165441.db2.gz FUZLQZFAFPLPBW-WKZSSMBOSA-N -1 0 274.341 4.090 10 0 CIAERM Cc1ccc(C[C@H](Cc2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000037528238 173252216 /nfs/dbraw/zinc/25/22/16/173252216.db2.gz IFJITKMSQWKUMM-GFCCVEGCSA-N -1 0 294.803 4.196 10 0 CIAERM O=C([O-])[C@@H](Nc1ccc(Cl)cc1)c1ccccc1Cl ZINC000037962395 173905388 /nfs/dbraw/zinc/90/53/88/173905388.db2.gz SRXIOUPLQUKFRG-ZDUSSCGKSA-N -1 0 296.153 4.231 10 0 CIAERM O=C([O-])c1cc(F)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000038068170 174080108 /nfs/dbraw/zinc/08/01/08/174080108.db2.gz RDOFNQPKBXWGDS-UHFFFAOYSA-N -1 0 284.208 4.210 10 0 CIAERM O=C([O-])c1cc(F)ccc1-c1cccc2ccccc21 ZINC000038068122 174080116 /nfs/dbraw/zinc/08/01/16/174080116.db2.gz IJDCQYATHWILQT-UHFFFAOYSA-N -1 0 266.271 4.344 10 0 CIAERM Cc1cc(F)ccc1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000038068286 174080257 /nfs/dbraw/zinc/08/02/57/174080257.db2.gz BSCIMCPZVVOMMF-UHFFFAOYSA-N -1 0 264.683 4.153 10 0 CIAERM Cc1ccc(F)c(-c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000038068275 174080655 /nfs/dbraw/zinc/08/06/55/174080655.db2.gz PEVXRDATLFJNQN-UHFFFAOYSA-N -1 0 264.683 4.153 10 0 CIAERM CCCn1c2ccc(C(=O)[O-])cc2nc1C1CCCCC1 ZINC000040417487 174255874 /nfs/dbraw/zinc/25/58/74/174255874.db2.gz ILOUJKRZSGKYQZ-UHFFFAOYSA-N -1 0 286.375 4.192 10 0 CIAERM O=C([O-])c1ccc(CNc2ccc(Cl)cc2Cl)cc1 ZINC000041578797 174570052 /nfs/dbraw/zinc/57/00/52/174570052.db2.gz GQCMMAZXUFPYCV-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM Cc1ccsc1CCC1(CC(=O)[O-])CCCC1 ZINC000042730522 174858983 /nfs/dbraw/zinc/85/89/83/174858983.db2.gz HCLDGSVFHHFGHU-UHFFFAOYSA-N -1 0 252.379 4.024 10 0 CIAERM O=C([O-])c1cccc(Oc2ccc(Cl)c(Cl)c2)c1 ZINC000044199126 175153611 /nfs/dbraw/zinc/15/36/11/175153611.db2.gz OEMPBYVYCDVPOR-UHFFFAOYSA-N -1 0 283.110 4.484 10 0 CIAERM Cc1cc2c(-c3ccccc3)c(C(=O)[O-])n(C)c2c(C)c1 ZINC000058823701 175628461 /nfs/dbraw/zinc/62/84/61/175628461.db2.gz JFGSVXSSCRWEKD-UHFFFAOYSA-N -1 0 279.339 4.160 10 0 CIAERM CCSc1ccc(-c2cc(F)ccc2C(=O)[O-])cc1 ZINC000065353947 175720106 /nfs/dbraw/zinc/72/01/06/175720106.db2.gz JASNNXBHNCNRQZ-UHFFFAOYSA-N -1 0 276.332 4.303 10 0 CIAERM O=C([O-])c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000065354340 175720687 /nfs/dbraw/zinc/72/06/87/175720687.db2.gz PNQIPNNJHMDZGD-UHFFFAOYSA-N -1 0 285.101 4.498 10 0 CIAERM CCOc1ccc(-c2ccc(F)cc2C(=O)[O-])c(Cl)c1 ZINC000065354702 175721229 /nfs/dbraw/zinc/72/12/29/175721229.db2.gz HEUPFCCQZGZWCK-UHFFFAOYSA-N -1 0 294.709 4.243 10 0 CIAERM Cc1sc2[n-]c(=S)n([C@@H]3CCC[C@@H]3C)c(=O)c2c1C ZINC000071208817 176081597 /nfs/dbraw/zinc/08/15/97/176081597.db2.gz NYRKSEFWLPIHOZ-OIBJUYFYSA-N -1 0 294.445 4.099 10 0 CIAERM CC(C)Cc1ccc([C@@H](CC(=O)[O-])C2CCC2)cc1 ZINC000071586687 176212937 /nfs/dbraw/zinc/21/29/37/176212937.db2.gz IGLOVUASCGTFAF-INIZCTEOSA-N -1 0 260.377 4.244 10 0 CIAERM O=C([O-])c1cc(SCc2ccccc2F)ccc1Cl ZINC000075442251 176710968 /nfs/dbraw/zinc/71/09/68/176710968.db2.gz IJSMSUOYHNHHMI-UHFFFAOYSA-N -1 0 296.750 4.470 10 0 CIAERM C[C@@H]1CCC[C@]1(C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000076416377 177022006 /nfs/dbraw/zinc/02/20/06/177022006.db2.gz CAXSSCSEOZUDEU-AMIZOPFISA-N -1 0 273.159 4.136 10 0 CIAERM CC(C)C1CC(C(=O)[O-])(c2ccc(Cl)c(Cl)c2)C1 ZINC000076501159 177030128 /nfs/dbraw/zinc/03/01/28/177030128.db2.gz GFCMTIRAJRLISU-UHFFFAOYSA-N -1 0 287.186 4.382 10 0 CIAERM CC[C@@H](CC(=O)[O-])c1ccc(SC(C)C)cc1 ZINC000076656824 177046119 /nfs/dbraw/zinc/04/61/19/177046119.db2.gz TXIFKVYECAFYAD-NSHDSACASA-N -1 0 252.379 4.155 10 0 CIAERM C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000263384620 330053638 /nfs/dbraw/zinc/05/36/38/330053638.db2.gz CNUGARHFWQHXSX-SCLBCKFNSA-N -1 0 295.382 4.113 10 0 CIAERM CCC(CC)(Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000054633177 521460434 /nfs/dbraw/zinc/46/04/34/521460434.db2.gz LJYFHYQVRSWRNU-UHFFFAOYSA-N -1 0 274.282 4.139 10 0 CIAERM CCC(CC)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000054527145 521597595 /nfs/dbraw/zinc/59/75/95/521597595.db2.gz DHGLWJIDGFVUBW-UHFFFAOYSA-N -1 0 275.270 4.004 10 0 CIAERM CC[C@H](CC(=O)[O-])Sc1ccc(C(C)C)cc1 ZINC000062764883 522112240 /nfs/dbraw/zinc/11/22/40/522112240.db2.gz DMIBKIDIYVTBPH-GFCCVEGCSA-N -1 0 252.379 4.155 10 0 CIAERM CC[C@H](Nc1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC000054529919 522764043 /nfs/dbraw/zinc/76/40/43/522764043.db2.gz AZIZZVWQFQOSBD-NSHDSACASA-N -1 0 279.336 4.149 10 0 CIAERM C[C@H](CCC(=O)[O-])Sc1cccc(C(F)(F)F)c1 ZINC000050955887 524121763 /nfs/dbraw/zinc/12/17/63/524121763.db2.gz DNLNXQWHHDDGAS-MRVPVSSYSA-N -1 0 278.295 4.051 10 0 CIAERM Cc1ccc(CNc2cc(Cl)ccc2C(=O)[O-])s1 ZINC000062787376 524612739 /nfs/dbraw/zinc/61/27/39/524612739.db2.gz CEKDLSPIRWKILM-UHFFFAOYSA-N -1 0 281.764 4.020 10 0 CIAERM Cc1cccc(S[C@@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000062766729 524811009 /nfs/dbraw/zinc/81/10/09/524811009.db2.gz DALFUUUHHWFDRE-ZIAGYGMSSA-N -1 0 264.390 4.121 10 0 CIAERM C[C@H](Oc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000062796448 525929991 /nfs/dbraw/zinc/92/99/91/525929991.db2.gz CNHXHPZGGOOANI-JTQLQIEISA-N -1 0 276.719 4.178 10 0 CIAERM C[C@H]1CC=CC[C@H]1COc1cccc(Cl)c1C(=O)[O-] ZINC000054553262 526236689 /nfs/dbraw/zinc/23/66/89/526236689.db2.gz HXWLDKUMYFLUFV-QWRGUYRKSA-N -1 0 280.751 4.019 10 0 CIAERM O=C([O-])[C@@H]1CCCC[C@@H]1Sc1ccccc1Cl ZINC000062764912 526270590 /nfs/dbraw/zinc/27/05/90/526270590.db2.gz QTKPYWZFKYGMDE-KOLCDFICSA-N -1 0 270.781 4.076 10 0 CIAERM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000049866613 526342864 /nfs/dbraw/zinc/34/28/64/526342864.db2.gz YXLWMEMRVRIVER-UHFFFAOYSA-N -1 0 273.140 4.420 10 0 CIAERM O=C([O-])[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000062624781 527659780 /nfs/dbraw/zinc/65/97/80/527659780.db2.gz LDXOSYLKCSHNQQ-QWHCGFSZSA-N -1 0 252.741 4.089 10 0 CIAERM O=C([O-])c1cccc(Nc2ccc(C(F)(F)F)cc2)c1 ZINC000054186689 567068126 /nfs/dbraw/zinc/06/81/26/567068126.db2.gz MDZIRNPRVJEHHX-UHFFFAOYSA-N -1 0 281.233 4.147 10 0 in-vitro CIAERM O=C([O-])C1=C(Sc2ccc(Cl)cc2)CCCC1 ZINC000004205340 567855683 /nfs/dbraw/zinc/85/56/83/567855683.db2.gz KODGBPFDNNPAEA-UHFFFAOYSA-N -1 0 268.765 4.345 10 0 CIAERM CC(C)(C)c1occ(-c2cccc(F)c2)c1C(=O)[O-] ZINC000725246826 567908536 /nfs/dbraw/zinc/90/85/36/567908536.db2.gz YCCDWBGEOMDNHI-UHFFFAOYSA-N -1 0 262.280 4.081 10 0 CIAERM Cc1[n-]n(C(C)(C)C)c(=O)c1Sc1ccc(Cl)cc1 ZINC000100318701 570266998 /nfs/dbraw/zinc/26/69/98/570266998.db2.gz IYIGLQSFYOLXCS-UHFFFAOYSA-N -1 0 296.823 4.457 10 0 CIAERM Cc1ccc([C@@H](OC(=O)[O-])C(C)C)c(Br)c1 ZINC000095934360 185033489 /nfs/dbraw/zinc/03/34/89/185033489.db2.gz XBYHGNYKNBXDER-NSHDSACASA-N -1 0 287.153 4.149 10 0 CIAERM Nc1scc(-c2ccc(-c3ccccc3)cc2)c1C(=O)[O-] ZINC000095935066 185033523 /nfs/dbraw/zinc/03/35/23/185033523.db2.gz PSUFPPGPPADMDK-UHFFFAOYSA-N -1 0 295.363 4.363 10 0 CIAERM Cc1c(-c2ccc(C(=O)[O-])cc2)cccc1C(F)(F)F ZINC000095935408 185033819 /nfs/dbraw/zinc/03/38/19/185033819.db2.gz KQELUTJOPFSUOL-UHFFFAOYSA-N -1 0 280.245 4.379 10 0 CIAERM CC(C)(CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000082619849 178128218 /nfs/dbraw/zinc/12/82/18/178128218.db2.gz SWKIHVIFGMBDEB-UHFFFAOYSA-N -1 0 254.329 4.106 10 0 CIAERM Cc1ccc(Nc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000082716197 178230833 /nfs/dbraw/zinc/23/08/33/178230833.db2.gz PYLORCMZXHPARE-UHFFFAOYSA-N -1 0 261.708 4.090 10 0 CIAERM Cc1c(Cl)cccc1Nc1c(F)cccc1C(=O)[O-] ZINC000082716347 178231294 /nfs/dbraw/zinc/23/12/94/178231294.db2.gz OKRSEBKXPUHBES-UHFFFAOYSA-N -1 0 279.698 4.229 10 0 CIAERM CC1CCC(Nc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000097030639 185154708 /nfs/dbraw/zinc/15/47/08/185154708.db2.gz RQFSTGHXIBMKNB-UHFFFAOYSA-N -1 0 267.756 4.029 10 0 CIAERM Cc1occc1C(=O)C=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000101787203 185758835 /nfs/dbraw/zinc/75/88/35/185758835.db2.gz WFNFYKMGOSHYRU-UHFFFAOYSA-N -1 0 297.137 4.351 10 0 CIAERM C[C@@H]1CCC[C@@H](SCc2ccc(C(=O)[O-])s2)C1 ZINC000103923447 185862033 /nfs/dbraw/zinc/86/20/33/185862033.db2.gz HRDALVCKEIMLJP-NXEZZACHSA-N -1 0 270.419 4.258 10 0 CIAERM Cc1ccc(N(C)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000104177613 185916846 /nfs/dbraw/zinc/91/68/46/185916846.db2.gz JPRZXXDRDOYBLG-UHFFFAOYSA-N -1 0 275.735 4.115 10 0 CIAERM CCC(CC)[C@@H](C)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000104414180 185992519 /nfs/dbraw/zinc/99/25/19/185992519.db2.gz YKVVFTAJFIOIIP-SECBINFHSA-N -1 0 269.772 4.275 10 0 CIAERM C[C@H]1CC=CC[C@H]1COc1ccc(Cl)cc1C(=O)[O-] ZINC000109998591 186282555 /nfs/dbraw/zinc/28/25/55/186282555.db2.gz NDKCCYDUWRWJFD-QWRGUYRKSA-N -1 0 280.751 4.019 10 0 CIAERM Cc1cc(C(=O)[O-])ccc1S[C@H]1CCC[C@@H](C)C1 ZINC000110267172 186289688 /nfs/dbraw/zinc/28/96/88/186289688.db2.gz YDZTZVUNFDVIQC-MFKMUULPSA-N -1 0 264.390 4.364 10 0 CIAERM C[C@@H]1CCCC[C@@H]1CNc1ccc(Cl)cc1C(=O)[O-] ZINC000110449843 186296982 /nfs/dbraw/zinc/29/69/82/186296982.db2.gz LKQFNYLLOOQOSA-GHMZBOCLSA-N -1 0 281.783 4.276 10 0 CIAERM CCN(c1ccccc1)c1ccc(Cl)cc1C(=O)[O-] ZINC000110465393 186297412 /nfs/dbraw/zinc/29/74/12/186297412.db2.gz JKIRWTRKXFLKQB-UHFFFAOYSA-N -1 0 275.735 4.196 10 0 CIAERM CCCCN(c1ccc(C(=O)[O-])cc1C)[C@@H](C)CC ZINC000110465602 186297560 /nfs/dbraw/zinc/29/75/60/186297560.db2.gz WJNHLXDZMSTLQU-ZDUSSCGKSA-N -1 0 263.381 4.098 10 0 CIAERM O=C([O-])c1cc(-c2ccccc2Cl)oc1C(F)(F)F ZINC000002243812 169783233 /nfs/dbraw/zinc/78/32/33/169783233.db2.gz IOFLJWSDJUXMQP-UHFFFAOYSA-N -1 0 290.624 4.317 10 0 CIAERM CC[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003876173 169918754 /nfs/dbraw/zinc/91/87/54/169918754.db2.gz QNDUUBVQYBBRBW-ZDUSSCGKSA-N -1 0 280.323 4.041 10 0 in-man CIAERM O=c1c(Cl)c(C(Cl)(Cl)Cl)[n-]c2ccccc21 ZINC000004771914 170014834 /nfs/dbraw/zinc/01/48/34/170014834.db2.gz DRTMMKRMBMLHJZ-UHFFFAOYSA-N -1 0 296.968 4.421 10 0 CIAERM CC(C)(c1ccccc1)c1ccc(OC(=O)[O-])cc1 ZINC000005358025 170089283 /nfs/dbraw/zinc/08/92/83/170089283.db2.gz UGKSTGOPBDJAGS-UHFFFAOYSA-N -1 0 256.301 4.069 10 0 CIAERM Cc1cc(OCc2ccc(C(=O)[O-])cc2)ccc1C(C)C ZINC000005592307 170116977 /nfs/dbraw/zinc/11/69/77/170116977.db2.gz MIFYEYQFHOGPFR-UHFFFAOYSA-N -1 0 284.355 4.396 10 0 CIAERM Cc1cc(C)cc(Oc2ccccc2/C=C\C(=O)[O-])c1 ZINC000005724869 170133698 /nfs/dbraw/zinc/13/36/98/170133698.db2.gz UKEFOBQXMYMYDC-FPLPWBNLSA-N -1 0 268.312 4.194 10 0 CIAERM O=C([O-])c1ccc(Cl)cc1Nc1cccc(Cl)c1 ZINC000005785087 170140391 /nfs/dbraw/zinc/14/03/91/170140391.db2.gz GSDQYSSLIKJJOG-UHFFFAOYSA-N -1 0 282.126 4.435 10 0 in-vitro CIAERM O=C([O-])c1ccccc1Sc1cccc(Cl)c1 ZINC000005846742 170146808 /nfs/dbraw/zinc/14/68/08/170146808.db2.gz JEJVFFQDODZHIV-UHFFFAOYSA-N -1 0 264.733 4.189 10 0 CIAERM O=c1c2cc(Cl)ccc2[n-]c(=S)n1C1CCCCC1 ZINC000007043963 170263883 /nfs/dbraw/zinc/26/38/83/170263883.db2.gz WHGGKVGUPGCORL-UHFFFAOYSA-N -1 0 294.807 4.218 10 0 CIAERM Cc1ccc([C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000011588900 170423931 /nfs/dbraw/zinc/42/39/31/170423931.db2.gz JZGQOURBMJFSEH-OAHLLOKOSA-N -1 0 274.747 4.059 10 0 CIAERM Cc1nc(C2(c3ccccc3)CCCC2)sc1C(=O)[O-] ZINC000011833115 170445688 /nfs/dbraw/zinc/44/56/88/170445688.db2.gz PWVGHVIFGMTIFG-UHFFFAOYSA-N -1 0 287.384 4.010 10 0 CIAERM CC(C)c1ccc(S[C@H](C(=O)[O-])C(C)C)cc1 ZINC000011890922 170454627 /nfs/dbraw/zinc/45/46/27/170454627.db2.gz ACXCWLGELOGNPM-ZDUSSCGKSA-N -1 0 252.379 4.011 10 0 CIAERM CC(C)[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000011894301 170455995 /nfs/dbraw/zinc/45/59/95/170455995.db2.gz DWKQQMLWYULFBS-ZDUSSCGKSA-N -1 0 266.406 4.185 10 0 CIAERM O=C([O-])/C=C\c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000011960096 170463046 /nfs/dbraw/zinc/46/30/46/170463046.db2.gz JMFHEWLUKNJQNW-TWGQIWQCSA-N -1 0 288.730 4.017 10 0 CIAERM Cc1ccc(C(C)C)c(Oc2cc(C(=O)[O-])ccn2)c1 ZINC000019812942 170879645 /nfs/dbraw/zinc/87/96/45/170879645.db2.gz KSWWVNPIJAPRRM-UHFFFAOYSA-N -1 0 271.316 4.004 10 0 CIAERM Cc1cc(C)cc(Oc2cccc(Cl)c2C(=O)[O-])c1 ZINC000019985678 170961052 /nfs/dbraw/zinc/96/10/52/170961052.db2.gz OKBFSVZGYAINCL-UHFFFAOYSA-N -1 0 276.719 4.447 10 0 CIAERM Cc1cc(OCc2ccc(C(=O)[O-])s2)cc(C)c1Cl ZINC000020312413 171144472 /nfs/dbraw/zinc/14/44/72/171144472.db2.gz CLFZDKRHFXHYPD-UHFFFAOYSA-N -1 0 296.775 4.296 10 0 CIAERM Cc1cc(C(=O)[O-])c(NC(=O)CCC2CCCCC2)s1 ZINC000020333071 171152457 /nfs/dbraw/zinc/15/24/57/171152457.db2.gz RZJDWJKFBMCNIU-UHFFFAOYSA-N -1 0 295.404 4.054 10 0 CIAERM O=C([O-])Cc1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000020391565 171180228 /nfs/dbraw/zinc/18/02/28/171180228.db2.gz SUORZLNMZNLYLW-UHFFFAOYSA-N -1 0 281.138 4.288 10 0 CIAERM CC(C)c1ccc(-c2ccc(CC(=O)[O-])cc2)cc1 ZINC000020391623 171180441 /nfs/dbraw/zinc/18/04/41/171180441.db2.gz NALTUYKKRSVNIG-UHFFFAOYSA-N -1 0 254.329 4.104 10 0 CIAERM Cc1cc(C)c(C)c(C(F)(F)CCCC(=O)[O-])c1C ZINC000020423378 171190532 /nfs/dbraw/zinc/19/05/32/171190532.db2.gz CYBFOBRAGXLDFW-UHFFFAOYSA-N -1 0 270.319 4.267 10 0 CIAERM O=C([O-])C1(c2ccc(Br)cc2)CCCCCC1 ZINC000020429432 171194663 /nfs/dbraw/zinc/19/46/63/171194663.db2.gz ILLSQUFVPDAVGA-UHFFFAOYSA-N -1 0 297.192 4.126 10 0 CIAERM CCCC[C@@H](CC)COc1ccc(Cl)c(C(=O)[O-])n1 ZINC000020509184 171229848 /nfs/dbraw/zinc/22/98/48/171229848.db2.gz HPGVYKQQROSXSD-SNVBAGLBSA-N -1 0 285.771 4.028 10 0 CIAERM CCCCCC[C@@H](C)Oc1ccc(Cl)c(C(=O)[O-])n1 ZINC000020509056 171230081 /nfs/dbraw/zinc/23/00/81/171230081.db2.gz JNYISDHEWBXNPJ-SNVBAGLBSA-N -1 0 285.771 4.171 10 0 CIAERM Cc1cccc(Oc2cccc(Cl)c2C(=O)[O-])c1C ZINC000020545791 171243584 /nfs/dbraw/zinc/24/35/84/171243584.db2.gz ADTDMFXDQAVLOQ-UHFFFAOYSA-N -1 0 276.719 4.447 10 0 CIAERM O=C([O-])CCCC(F)(F)c1csc2ccccc21 ZINC000020596427 171264921 /nfs/dbraw/zinc/26/49/21/171264921.db2.gz BTNPXBGUFCDRHY-UHFFFAOYSA-N -1 0 270.300 4.248 10 0 CIAERM O=C([O-])c1ccc(Cl)c(NCc2cccc(Cl)c2)c1 ZINC000020881407 171277580 /nfs/dbraw/zinc/27/75/80/171277580.db2.gz WKWSHZHQKAREIY-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM O=C([O-])c1sc2cc(OC(F)(F)F)ccc2c1Cl ZINC000021953034 171340562 /nfs/dbraw/zinc/34/05/62/171340562.db2.gz IKXDXXUFSRRGMC-UHFFFAOYSA-N -1 0 296.653 4.152 10 0 CIAERM Cc1ccc(C(C)C)c(Oc2ncccc2C(=O)[O-])c1 ZINC000022165706 171365801 /nfs/dbraw/zinc/36/58/01/171365801.db2.gz GTZVIISJCPFXFB-UHFFFAOYSA-N -1 0 271.316 4.004 10 0 CIAERM O=C([O-])c1cc(F)ccc1-c1cc(Cl)ccc1Cl ZINC000032004135 171683686 /nfs/dbraw/zinc/68/36/86/171683686.db2.gz SHMLYWPKKGMDLH-UHFFFAOYSA-N -1 0 285.101 4.498 10 0 CIAERM Cc1onc(-c2c(Cl)cccc2Cl)c1/C=C\C(=O)[O-] ZINC000033380891 171787932 /nfs/dbraw/zinc/78/79/32/171787932.db2.gz GPJWELSOIHCHBG-WAYWQWQTSA-N -1 0 298.125 4.055 10 0 CIAERM Cn1c2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)[O-] ZINC000034525804 171843359 /nfs/dbraw/zinc/84/33/59/171843359.db2.gz SKBHXXZKKLDGER-UHFFFAOYSA-N -1 0 285.730 4.197 10 0 CIAERM CCc1ccc(C(F)(F)CCCCC(=O)[O-])s1 ZINC000035324579 172126733 /nfs/dbraw/zinc/12/67/33/172126733.db2.gz KXFBHUYZWIAGPC-UHFFFAOYSA-N -1 0 262.321 4.047 10 0 CIAERM CCCC/C(=C\C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000036174432 172494465 /nfs/dbraw/zinc/49/44/65/172494465.db2.gz IPKMCWJIDDOSPS-MDZDMXLPSA-N -1 0 268.740 4.007 10 0 CIAERM O=C([O-])c1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000036348767 172624752 /nfs/dbraw/zinc/62/47/52/172624752.db2.gz NTBTXGZNPRPXTR-UHFFFAOYSA-N -1 0 275.307 4.114 10 0 CIAERM O=C([O-])/C=C/c1cc(Cl)ccc1OCc1ccsc1 ZINC000036867103 172764455 /nfs/dbraw/zinc/76/44/55/172764455.db2.gz ITLBPDQZVVCADF-DAFODLJHSA-N -1 0 294.759 4.078 10 0 CIAERM O=C([O-])[C@@H]1CCCC[C@H]1c1nc2cccc(Cl)c2s1 ZINC000037195287 173023837 /nfs/dbraw/zinc/02/38/37/173023837.db2.gz OBFDLCQSBLVGSK-RKDXNWHRSA-N -1 0 295.791 4.308 10 0 CIAERM O=C([O-])c1ccc(NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000037307710 173111407 /nfs/dbraw/zinc/11/14/07/173111407.db2.gz JNWFRJSHNKVMLI-UHFFFAOYSA-N -1 0 295.260 4.016 10 0 CIAERM Cc1cc(C(=O)[O-])ccc1N[C@H](C)C1CCCCC1 ZINC000037314521 173115909 /nfs/dbraw/zinc/11/59/09/173115909.db2.gz LBZQFYJWHNNVLL-GFCCVEGCSA-N -1 0 261.365 4.074 10 0 CIAERM CC(C)c1ccc(C(F)(F)CCCC(=O)[O-])cc1 ZINC000038064115 174075510 /nfs/dbraw/zinc/07/55/10/174075510.db2.gz WMXAOIJPOFZRSG-UHFFFAOYSA-N -1 0 256.292 4.157 10 0 CIAERM COc1ccc(-c2cccc(Cl)c2Cl)c(C(=O)[O-])c1 ZINC000038068236 174080260 /nfs/dbraw/zinc/08/02/60/174080260.db2.gz CXYWOYRKSZSTNW-UHFFFAOYSA-N -1 0 297.137 4.367 10 0 CIAERM Cc1ccc(F)cc1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000038068282 174080441 /nfs/dbraw/zinc/08/04/41/174080441.db2.gz XJJVLSMPKVPHCU-UHFFFAOYSA-N -1 0 264.683 4.153 10 0 CIAERM COc1ccc(C(=O)[O-])cc1-c1ccc(C(C)C)cc1 ZINC000038068895 174080445 /nfs/dbraw/zinc/08/04/45/174080445.db2.gz LOABOULUQBRUOU-UHFFFAOYSA-N -1 0 270.328 4.184 10 0 CIAERM Cc1cccc(C[C@H](Cc2cc(C)ccc2C)C(=O)[O-])c1 ZINC000041439411 174553218 /nfs/dbraw/zinc/55/32/18/174553218.db2.gz NGQGHGRQLIZJMG-GOSISDBHSA-N -1 0 282.383 4.098 10 0 CIAERM O=C([O-])c1sc(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000041503862 174563237 /nfs/dbraw/zinc/56/32/37/174563237.db2.gz BGWITYHTQFSGMC-UHFFFAOYSA-N -1 0 299.326 4.314 10 0 CIAERM COc1ccc(-c2cccc(C(=O)[O-])c2)cc1C(F)(F)F ZINC000065339883 175710402 /nfs/dbraw/zinc/71/04/02/175710402.db2.gz IUMRFSBGAJYWHV-UHFFFAOYSA-N -1 0 296.244 4.079 10 0 CIAERM COc1ccc(-c2cccc(C)c2C(=O)[O-])cc1Cl ZINC000065354125 175720632 /nfs/dbraw/zinc/72/06/32/175720632.db2.gz IBAYQJFATAHVAL-UHFFFAOYSA-N -1 0 276.719 4.022 10 0 CIAERM O=C([O-])CCCCCNc1cc(Cl)cc(Cl)c1 ZINC000071292987 176111041 /nfs/dbraw/zinc/11/10/41/176111041.db2.gz FOJGLKDVAOEUAY-UHFFFAOYSA-N -1 0 276.163 4.050 10 0 CIAERM Cc1[nH]c2ccccc2c1[C@H](C)CCCCC(=O)[O-] ZINC000071585412 176210885 /nfs/dbraw/zinc/21/08/85/176210885.db2.gz OCLAEQTXSLPHHJ-LLVKDONJSA-N -1 0 259.349 4.225 10 0 CIAERM C[C@H](CCCCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000071586675 176213084 /nfs/dbraw/zinc/21/30/84/176213084.db2.gz YOOHLUWENLVBHI-CYBMUJFWSA-N -1 0 260.377 4.314 10 0 CIAERM O=C([O-])c1ccc2c3c(cccc31)-c1nc3ccccc3nc1-2 ZINC000072236481 176345474 /nfs/dbraw/zinc/34/54/74/176345474.db2.gz FDJMZLMEJWRKPI-UHFFFAOYSA-N -1 0 298.301 4.129 10 0 CIAERM C[C@@H](C(=O)[O-])c1ccc2nc(-c3ccccc3)sc2c1 ZINC000072266911 176352371 /nfs/dbraw/zinc/35/23/71/176352371.db2.gz DPRKTNKWAXPYNW-SNVBAGLBSA-N -1 0 283.352 4.151 10 0 in-man CIAERM O=C([O-])c1ccccc1CNc1ccc(Cl)c(Cl)c1 ZINC000076271482 176966720 /nfs/dbraw/zinc/96/67/20/176966720.db2.gz QXPTZHQXHVJBNR-UHFFFAOYSA-N -1 0 296.153 4.304 10 0 CIAERM C[C@H]1CCC[C@@]1(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000076416400 177021952 /nfs/dbraw/zinc/02/19/52/177021952.db2.gz IRVJDYADOULZIK-SDBXPKJASA-N -1 0 273.159 4.136 10 0 CIAERM CC[C@@H](CC(=O)[O-])c1cc(C(C)C)c(OC)cc1C ZINC000076679850 177057961 /nfs/dbraw/zinc/05/79/61/177057961.db2.gz BXYATPUJEVHAFV-LBPRGKRZSA-N -1 0 264.365 4.095 10 0 CIAERM CCOc1cc(C)c([C@@H](CC)CC(=O)[O-])cc1Cl ZINC000076710632 177067793 /nfs/dbraw/zinc/06/77/93/177067793.db2.gz FCEWTVDAGBKNAG-JTQLQIEISA-N -1 0 270.756 4.015 10 0 CIAERM C[C@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000230176098 333315703 /nfs/dbraw/zinc/31/57/03/333315703.db2.gz GKGSKMGSEGPDIA-CBAPKCEASA-N -1 0 288.174 4.074 10 0 CIAERM C[C@H]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000230176273 333315718 /nfs/dbraw/zinc/31/57/18/333315718.db2.gz ITKOFIBOTWSLPU-IONNQARKSA-N -1 0 288.174 4.074 10 0 CIAERM Cc1ccc([C@H](C)NCc2cccc(O)c2Cl)cc1F ZINC000380960750 336041073 /nfs/dbraw/zinc/04/10/73/336041073.db2.gz WGJWNMIBKGSCLO-NSHDSACASA-N -1 0 293.769 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CIAERM CC[C@H](C)C[C@](CC)(Nc1ccccc1Cl)C(=O)[O-] ZINC000041656868 184550666 /nfs/dbraw/zinc/55/06/66/184550666.db2.gz SQMSTDJUISKXJM-NHYWBVRUSA-N -1 0 283.799 4.422 10 0 CIAERM O=C([O-])C1(c2ccccc2Cl)CC2(C1)CCCCC2 ZINC000076450290 184588045 /nfs/dbraw/zinc/58/80/45/184588045.db2.gz ATSVEZQXXMDGRG-UHFFFAOYSA-N -1 0 278.779 4.407 10 0 CIAERM CCCCc1ccc(Nc2ccccc2C(=O)[O-])cc1 ZINC000002087933 169774442 /nfs/dbraw/zinc/77/44/42/169774442.db2.gz YUOMTVZNEZTSIA-UHFFFAOYSA-N -1 0 269.344 4.471 10 0 CIAERM CCc1ccc2nc(C3CCCC3)cc(C(=O)[O-])c2c1 ZINC000003757165 169911269 /nfs/dbraw/zinc/91/12/69/169911269.db2.gz BMRHKMIQOVGDBY-UHFFFAOYSA-N -1 0 269.344 4.153 10 0 CIAERM C[C@H](C(=O)[O-])c1cccc(Oc2ccccc2Cl)c1 ZINC000006030369 170169871 /nfs/dbraw/zinc/16/98/71/170169871.db2.gz DBYOODVQQKIUTD-JTQLQIEISA-N -1 0 276.719 4.320 10 0 CIAERM Cc1ccccc1Sc1ccc(Cl)cc1C(=O)[O-] ZINC000006925140 170255920 /nfs/dbraw/zinc/25/59/20/170255920.db2.gz ZMNLMJHSDPBCFU-UHFFFAOYSA-N -1 0 278.760 4.498 10 0 CIAERM CCc1cccc(CC)c1Nc1nc(C)c(C(=O)[O-])s1 ZINC000008024605 170314419 /nfs/dbraw/zinc/31/44/19/170314419.db2.gz QMEGDRNNJKTVDG-UHFFFAOYSA-N -1 0 290.388 4.018 10 0 CIAERM CC(C)c1ccccc1OCc1ccccc1C(=O)[O-] ZINC000011994372 170465570 /nfs/dbraw/zinc/46/55/70/170465570.db2.gz XXGAUXQFLCVBGW-UHFFFAOYSA-N -1 0 270.328 4.087 10 0 CIAERM C[C@@H](C(=O)[O-])c1cccc([C@H](C)c2ccccc2)c1 ZINC000013646228 170572851 /nfs/dbraw/zinc/57/28/51/170572851.db2.gz WHCCIVDFHWZGFN-CHWSQXEVSA-N -1 0 254.329 4.027 10 0 in-vivo CIAERM O=C([O-])[C@H](c1ccc(Cl)cc1)C1CCCCC1 ZINC000019726613 170845525 /nfs/dbraw/zinc/84/55/25/170845525.db2.gz RETZSUNAGYVJCR-ZDUSSCGKSA-N -1 0 252.741 4.089 10 0 CIAERM O=C([O-])Cc1ccc(-c2cc(Cl)ccc2Cl)cc1 ZINC000020391507 171180085 /nfs/dbraw/zinc/18/00/85/171180085.db2.gz CFTQNCHYTQAFNS-UHFFFAOYSA-N -1 0 281.138 4.288 10 0 CIAERM CCCCc1ccc(C(F)(F)CCCC(=O)[O-])cc1 ZINC000020423394 171190171 /nfs/dbraw/zinc/19/01/71/171190171.db2.gz WFRKKBIMBLVVRQ-UHFFFAOYSA-N -1 0 270.319 4.376 10 0 CIAERM CC(C)c1ccc(SCCCCC(=O)[O-])cc1 ZINC000020474306 171218543 /nfs/dbraw/zinc/21/85/43/171218543.db2.gz MAOYUWYJBCQDGA-UHFFFAOYSA-N -1 0 252.379 4.157 10 0 CIAERM O=C([O-])CCCCn1c2ccccc2c2ccccc21 ZINC000020474370 171218715 /nfs/dbraw/zinc/21/87/15/171218715.db2.gz YEPJVQJMLQBLOE-UHFFFAOYSA-N -1 0 267.328 4.049 10 0 in-vivo CIAERM CCCCCC[C@@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000020517249 171232783 /nfs/dbraw/zinc/23/27/83/171232783.db2.gz GFXXRAGQXYXYKY-GFCCVEGCSA-N -1 0 250.338 4.123 10 0 CIAERM O=C([O-])/C=C/c1ccccc1OCc1ccc(Cl)s1 ZINC000020526580 171239776 /nfs/dbraw/zinc/23/97/76/171239776.db2.gz VLMPDLSULVBPMX-VMPITWQZSA-N -1 0 294.759 4.078 10 0 CIAERM Cc1ccc(Cl)c(Nc2cc(C(=O)[O-])ccn2)c1Cl ZINC000020553068 171248326 /nfs/dbraw/zinc/24/83/26/171248326.db2.gz UEFCBNHBSUXMEA-UHFFFAOYSA-N -1 0 297.141 4.139 10 0 CIAERM CC(C)c1cccc(Oc2ncc(C(=O)[O-])cc2Cl)c1 ZINC000020553373 171248616 /nfs/dbraw/zinc/24/86/16/171248616.db2.gz KMPCHCJIWPNCKA-UHFFFAOYSA-N -1 0 291.734 4.349 10 0 CIAERM Cc1cc(Oc2ncc(C(=O)[O-])cc2Cl)ccc1Cl ZINC000020561391 171251963 /nfs/dbraw/zinc/25/19/63/171251963.db2.gz AJMTUGTWXWZSCR-UHFFFAOYSA-N -1 0 298.125 4.187 10 0 CIAERM O=C([O-])/C=C/c1ccccc1Oc1ccccc1Cl ZINC000020576792 171255897 /nfs/dbraw/zinc/25/58/97/171255897.db2.gz IWDYCOUKQGHNMO-MDZDMXLPSA-N -1 0 274.703 4.230 10 0 CIAERM O=C([O-])c1cc(NC/C=C/c2ccccc2)ccc1Cl ZINC000020879051 171277591 /nfs/dbraw/zinc/27/75/91/171277591.db2.gz QQTBFCBMJPIOLB-QPJJXVBHSA-N -1 0 287.746 4.164 10 0 CIAERM COc1ccc(C(=O)[O-])cc1-c1ccc(Cl)c(Cl)c1 ZINC000021950889 171339757 /nfs/dbraw/zinc/33/97/57/171339757.db2.gz PIAJFHPYMCUXHE-UHFFFAOYSA-N -1 0 297.137 4.367 10 0 CIAERM Cc1cc(Cl)ccc1Oc1ccc(C(=O)[O-])cc1F ZINC000022147187 171357219 /nfs/dbraw/zinc/35/72/19/171357219.db2.gz WCOMLHQCTWVFOS-UHFFFAOYSA-N -1 0 280.682 4.278 10 0 CIAERM Cc1cccc(Nc2ccccc2CC(=O)[O-])c1Cl ZINC000026402943 171483125 /nfs/dbraw/zinc/48/31/25/171483125.db2.gz QEIKFBABWZXHAB-UHFFFAOYSA-N -1 0 275.735 4.019 10 0 CIAERM O=C([O-])c1cc(-c2ccccc2)nc2cccc(Cl)c21 ZINC000026463479 171485583 /nfs/dbraw/zinc/48/55/83/171485583.db2.gz LZOPYPVELPXQEA-UHFFFAOYSA-N -1 0 283.714 4.253 10 0 CIAERM O=C([O-])CCCc1ccc(CCCc2ccccc2)s1 ZINC000034624558 171846151 /nfs/dbraw/zinc/84/61/51/171846151.db2.gz CHCFZZPAQZIYBP-UHFFFAOYSA-N -1 0 288.412 4.331 10 0 CIAERM Cc1oc(CSc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000035189159 172043910 /nfs/dbraw/zinc/04/39/10/172043910.db2.gz STJKLUHYGAHKGD-UHFFFAOYSA-N -1 0 282.748 4.232 10 0 CIAERM CC[C@@H](C)c1ccc(C(=O)CCCCC(=O)[O-])cc1 ZINC000035323552 172125963 /nfs/dbraw/zinc/12/59/63/172125963.db2.gz GOKKDNXQOYSGDB-GFCCVEGCSA-N -1 0 262.349 4.028 10 0 CIAERM CC(C)[C@@](C)(Cc1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000035412343 172183905 /nfs/dbraw/zinc/18/39/05/172183905.db2.gz PBUUXMCBNONLCQ-CQSZACIVSA-N -1 0 297.807 4.239 10 0 CIAERM CC(C)[C@@](C)(Cc1nc2cccc(Cl)c2s1)C(=O)[O-] ZINC000035412367 172184138 /nfs/dbraw/zinc/18/41/38/172184138.db2.gz RMCLNKSICIDPCK-CQSZACIVSA-N -1 0 297.807 4.239 10 0 CIAERM CC[C@@H](Nc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000036890443 172784594 /nfs/dbraw/zinc/78/45/94/172784594.db2.gz ACHDMFWVQUYUDE-GFCCVEGCSA-N -1 0 261.346 4.010 10 0 CIAERM Cc1cc(C)c(/C=C(\C(=O)[O-])c2cccs2)cc1C ZINC000036970805 172837867 /nfs/dbraw/zinc/83/78/67/172837867.db2.gz HDZLERLYITXIGP-ZROIWOOFSA-N -1 0 272.369 4.299 10 0 CIAERM CC[C@H](Nc1cc(C(=O)[O-])ccc1F)c1cccs1 ZINC000037088723 172945692 /nfs/dbraw/zinc/94/56/92/172945692.db2.gz WJDPWYCUXZAXOS-NSHDSACASA-N -1 0 279.336 4.149 10 0 CIAERM C[C@@H]1C[C@@H]1c1ccc(/C=C(\C(=O)[O-])c2cccs2)o1 ZINC000037375687 173165731 /nfs/dbraw/zinc/16/57/31/173165731.db2.gz FUZLQZFAFPLPBW-KVLZXVQHSA-N -1 0 274.341 4.090 10 0 CIAERM C[C@@H](SCc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000037405676 173181963 /nfs/dbraw/zinc/18/19/63/173181963.db2.gz WLFXHFFJPRGRJL-GFCCVEGCSA-N -1 0 272.369 4.060 10 0 CIAERM Nc1ccc(Oc2ccc(Cl)cc2Cl)c(C(=O)[O-])c1 ZINC000037933415 173873797 /nfs/dbraw/zinc/87/37/97/173873797.db2.gz TYDVCXBTSYBYHN-UHFFFAOYSA-N -1 0 298.125 4.066 10 0 CIAERM O=C([O-])c1ccc(F)cc1-c1ccc2ccccc2c1 ZINC000038068180 174079921 /nfs/dbraw/zinc/07/99/21/174079921.db2.gz XTKQWSTYFZWQKY-UHFFFAOYSA-N -1 0 266.271 4.344 10 0 CIAERM O=C([O-])c1ccc(-c2cccc(Cl)c2Cl)cc1F ZINC000038068128 174079960 /nfs/dbraw/zinc/07/99/60/174079960.db2.gz WJSZBOZASQLMCT-UHFFFAOYSA-N -1 0 285.101 4.498 10 0 CIAERM O=C([O-])c1cc(F)ccc1-c1cccc(Cl)c1Cl ZINC000038068126 174080139 /nfs/dbraw/zinc/08/01/39/174080139.db2.gz PZUWYRNPQIDIEE-UHFFFAOYSA-N -1 0 285.101 4.498 10 0 CIAERM Cc1cc(C)cc(-c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000038068268 174080565 /nfs/dbraw/zinc/08/05/65/174080565.db2.gz MTNJBZBWZFCBAP-UHFFFAOYSA-N -1 0 260.720 4.322 10 0 CIAERM Cc1cc(C)c(-c2ccc(F)cc2C(=O)[O-])c(C)c1 ZINC000038068693 174080723 /nfs/dbraw/zinc/08/07/23/174080723.db2.gz NHZLJBMOPQIWCE-UHFFFAOYSA-N -1 0 258.292 4.116 10 0 CIAERM COc1ccc([C@@H](CC(C)C)C(=O)[O-])cc1C(C)C ZINC000041377715 174537400 /nfs/dbraw/zinc/53/74/00/174537400.db2.gz GMFXUSCUJXWYLF-CQSZACIVSA-N -1 0 264.365 4.033 10 0 CIAERM CC(C)Oc1ccc([C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000041378007 174538007 /nfs/dbraw/zinc/53/80/07/174538007.db2.gz UZGICPSMFKSXSU-AWEZNQCLSA-N -1 0 264.365 4.078 10 0 CIAERM O=C([O-])[C@@H](c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000041406124 174547501 /nfs/dbraw/zinc/54/75/01/174547501.db2.gz CYDCXURAZNNBJQ-GFCCVEGCSA-N -1 0 272.266 4.064 10 0 CIAERM O=C([O-])c1ccc(-c2cccc3ccccc32)c(F)c1 ZINC000065331655 175709029 /nfs/dbraw/zinc/70/90/29/175709029.db2.gz TWRRVXHHIZFOLX-UHFFFAOYSA-N -1 0 266.271 4.344 10 0 CIAERM Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[O-] ZINC000065354233 175720846 /nfs/dbraw/zinc/72/08/46/175720846.db2.gz ALXVJXVIBRWQSH-UHFFFAOYSA-N -1 0 280.245 4.379 10 0 CIAERM COc1ccc(Cl)cc1-c1cccc(C)c1C(=O)[O-] ZINC000065354174 175720851 /nfs/dbraw/zinc/72/08/51/175720851.db2.gz LGLWAHQULRVSBQ-UHFFFAOYSA-N -1 0 276.719 4.022 10 0 CIAERM CCOc1ccc(-c2cccc(F)c2C(=O)[O-])c(Cl)c1 ZINC000065354708 175721266 /nfs/dbraw/zinc/72/12/66/175721266.db2.gz DHHLCIKLXZVGBI-UHFFFAOYSA-N -1 0 294.709 4.243 10 0 CIAERM Cc1ccc2c(c1)n(Cc1ccccc1)c(Cl)c2C(=O)[O-] ZINC000071466391 176182470 /nfs/dbraw/zinc/18/24/70/176182470.db2.gz REFZXCDCFHSVLY-UHFFFAOYSA-N -1 0 299.757 4.350 10 0 CIAERM Cc1cc([C@H](CCCC(=O)[O-])C(C)C)ccc1F ZINC000071574133 176201010 /nfs/dbraw/zinc/20/10/10/176201010.db2.gz FDKPVNZRXJDXAK-CYBMUJFWSA-N -1 0 252.329 4.129 10 0 CIAERM O=C([O-])c1[nH]c2ccc(Cl)cc2c1-c1ccccc1F ZINC000072182891 176334997 /nfs/dbraw/zinc/33/49/97/176334997.db2.gz GWQFYINGOBLJRX-UHFFFAOYSA-N -1 0 289.693 4.326 10 0 CIAERM O=C([O-])c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000072190640 176336402 /nfs/dbraw/zinc/33/64/02/176336402.db2.gz GSCRADXIXLIBSR-UHFFFAOYSA-N -1 0 298.216 4.076 10 0 CIAERM O=C([O-])c1sc2ccccc2c1OCc1ccccc1 ZINC000075438093 176709191 /nfs/dbraw/zinc/70/91/91/176709191.db2.gz NOKHKPQKBZRXFG-UHFFFAOYSA-N -1 0 284.336 4.179 10 0 CIAERM COc1ccc(C)cc1C1(C(=O)[O-])CC2(C1)CCCCC2 ZINC000076524138 177033311 /nfs/dbraw/zinc/03/33/11/177033311.db2.gz SGFJXBIHZCULJI-UHFFFAOYSA-N -1 0 288.387 4.070 10 0 CIAERM O=C([O-])c1csc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000077599590 177283508 /nfs/dbraw/zinc/28/35/08/177283508.db2.gz UFEXZHLGHGKTPB-UHFFFAOYSA-N -1 0 288.246 4.012 10 0 CIAERM CC(C)(C)c1ccc(Oc2ccc(C(=O)[O-])cc2N)cc1 ZINC000057595206 519042224 /nfs/dbraw/zinc/04/22/24/519042224.db2.gz IQPGXPFVQRLIIX-UHFFFAOYSA-N -1 0 285.343 4.057 10 0 CIAERM CC(C)(C)c1ccccc1Oc1ccc(C(=O)[O-])o1 ZINC000050907433 519061962 /nfs/dbraw/zinc/06/19/62/519061962.db2.gz JGNACTXGSVNQLB-UHFFFAOYSA-N -1 0 260.289 4.068 10 0 CIAERM CC(C)(C)c1nc(-c2c(F)cccc2F)sc1C(=O)[O-] ZINC000062491196 519089578 /nfs/dbraw/zinc/08/95/78/519089578.db2.gz LRVVIQOJBFQQTK-UHFFFAOYSA-N -1 0 297.326 4.084 10 0 CIAERM CC(C)CSc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000054554051 519769747 /nfs/dbraw/zinc/76/97/47/519769747.db2.gz NUXFONRNFJOTLO-UHFFFAOYSA-N -1 0 278.295 4.152 10 0 CIAERM CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H](SCC(C)C)C1 ZINC000062765692 521212161 /nfs/dbraw/zinc/21/21/61/521212161.db2.gz ZRJXWEXTFWUSCR-YNEHKIRRSA-N -1 0 258.427 4.045 10 0 CIAERM CC[C@@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2ccccc2)C1 ZINC000062764549 523347560 /nfs/dbraw/zinc/34/75/60/523347560.db2.gz ZCWZZNVLOZXTRP-MRVWCRGKSA-N -1 0 264.390 4.058 10 0 CIAERM COc1ccc(Cl)cc1[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062672088 524254416 /nfs/dbraw/zinc/25/44/16/524254416.db2.gz DRVKBHGMPHMIKW-NEPJUHHUSA-N -1 0 282.767 4.097 10 0 CIAERM C[C@H](Cc1ccsc1)Nc1ccc(C(=O)[O-])cc1Cl ZINC000062795902 524763094 /nfs/dbraw/zinc/76/30/94/524763094.db2.gz ITDLDZGDULWQAX-SECBINFHSA-N -1 0 295.791 4.143 10 0 CIAERM Cc1ccc(N(C)c2cccc(Cl)c2C(=O)[O-])cc1 ZINC000050005032 524889808 /nfs/dbraw/zinc/88/98/08/524889808.db2.gz AGEZZZDRUCPRNA-UHFFFAOYSA-N -1 0 275.735 4.115 10 0 CIAERM C[C@@H](Nc1cc(Cl)ccc1C(=O)[O-])c1ccsc1 ZINC000062787670 525697414 /nfs/dbraw/zinc/69/74/14/525697414.db2.gz XIORIRZNJPGDPB-MRVPVSSYSA-N -1 0 281.764 4.273 10 0 CIAERM Cc1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2Cl)n1 ZINC000054553297 526234188 /nfs/dbraw/zinc/23/41/88/526234188.db2.gz UETRTKNZUNOGOF-UHFFFAOYSA-N -1 0 298.125 4.187 10 0 CIAERM Cc1ccc(C(F)(F)CC(C)(C)CC(=O)[O-])s1 ZINC000061825610 526250321 /nfs/dbraw/zinc/25/03/21/526250321.db2.gz NNGPQXSQXIPJDI-UHFFFAOYSA-N -1 0 262.321 4.039 10 0 CIAERM O=C([O-])[C@@H]1CCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000062666671 526270347 /nfs/dbraw/zinc/27/03/47/526270347.db2.gz FGDVNIZJDGUOOY-VHSXEESVSA-N -1 0 273.159 4.352 10 0 CIAERM O=C([O-])[C@@H]1CCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000062666695 526270583 /nfs/dbraw/zinc/27/05/83/526270583.db2.gz TUIWDORBIFEFTQ-PSASIEDQSA-N -1 0 273.159 4.352 10 0 CIAERM O=C([O-])[C@@H]1CCCC[C@H]1Sc1ccccc1Cl ZINC000062764911 526270691 /nfs/dbraw/zinc/27/06/91/526270691.db2.gz QTKPYWZFKYGMDE-MWLCHTKSSA-N -1 0 270.781 4.076 10 0 CIAERM O=C([O-])[C@@H]1CCC[C@@H]1Sc1cc(Cl)ccc1Cl ZINC000062764787 526276455 /nfs/dbraw/zinc/27/64/55/526276455.db2.gz ZAOYMAZBQYQZRY-SCZZXKLOSA-N -1 0 291.199 4.339 10 0 CIAERM O=C([O-])[C@H]1CCCC[C@H]1Sc1nc2ccccc2s1 ZINC000062764479 526321774 /nfs/dbraw/zinc/32/17/74/526321774.db2.gz PSKOEHXCHJWZFN-GXSJLCMTSA-N -1 0 293.413 4.032 10 0 CIAERM O=C([O-])c1c(Cl)cccc1OC1CCCCCC1 ZINC000054553596 526340147 /nfs/dbraw/zinc/34/01/47/526340147.db2.gz HGZJFDGTXBZMJG-UHFFFAOYSA-N -1 0 268.740 4.140 10 0 CIAERM O=C([O-])c1cc(Cl)ccc1SCC1CCCC1 ZINC000062835564 526345859 /nfs/dbraw/zinc/34/58/59/526345859.db2.gz VIKOZXVTUQWYCJ-UHFFFAOYSA-N -1 0 270.781 4.321 10 0 CIAERM Cc1sc2[n-]c(=S)n(CCCC(C)C)c(=O)c2c1C ZINC000062100455 526885732 /nfs/dbraw/zinc/88/57/32/526885732.db2.gz RGDUBISUXUWJTM-UHFFFAOYSA-N -1 0 296.461 4.174 10 0 CIAERM O=C([O-])C1(Cc2ccccc2Br)CCCCC1 ZINC000054632378 527554966 /nfs/dbraw/zinc/55/49/66/527554966.db2.gz MBDVPQCSQSSCNW-UHFFFAOYSA-N -1 0 297.192 4.027 10 0 CIAERM O=C([O-])C[C@@H](SC1CCCCC1)c1ccccc1 ZINC000062766297 527626349 /nfs/dbraw/zinc/62/63/49/527626349.db2.gz BINGYMYVOVYBCN-CQSZACIVSA-N -1 0 264.390 4.268 10 0 CIAERM C[C@@H](c1cc(Br)sc1C(=O)[O-])C1CCC1 ZINC000675058126 570364945 /nfs/dbraw/zinc/36/49/45/570364945.db2.gz TUWCVWQBICBWCJ-ZCFIWIBFSA-N -1 0 289.194 4.112 10 0 CIAERM CCCCCCc1cc(Br)sc1C(=O)[O-] ZINC000675058249 570365442 /nfs/dbraw/zinc/36/54/42/570365442.db2.gz XSAARWBHPADUCA-UHFFFAOYSA-N -1 0 291.210 4.332 10 0 CIAERM CC(C)CCc1occ(-c2ccccc2)c1C(=O)[O-] ZINC000725245372 567908273 /nfs/dbraw/zinc/90/82/73/567908273.db2.gz CILCQBRNQPXCLG-UHFFFAOYSA-N -1 0 258.317 4.233 10 0 CIAERM CC(C)(C)c1occ(-c2ccc(F)cc2F)c1C(=O)[O-] ZINC000725246217 567908354 /nfs/dbraw/zinc/90/83/54/567908354.db2.gz LZIGHVSPMJQZLG-UHFFFAOYSA-N -1 0 280.270 4.221 10 0 CIAERM CC(C)(C)c1cccc(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000725269387 567924461 /nfs/dbraw/zinc/92/44/61/567924461.db2.gz KBMPUUAQWGNBBI-UHFFFAOYSA-N -1 0 268.356 4.278 10 0 CIAERM CC(C)N(c1cccc2sc(C(=O)[O-])cc21)C(C)C ZINC000725271276 567924855 /nfs/dbraw/zinc/92/48/55/567924855.db2.gz KBOCEOSOHNSQCR-UHFFFAOYSA-N -1 0 277.389 4.223 10 0 CIAERM O=C([O-])/C=C\c1ccccc1Oc1ccc(F)cc1Cl ZINC000095829369 185028546 /nfs/dbraw/zinc/02/85/46/185028546.db2.gz BDSHMGXWHAUBBP-YVMONPNESA-N -1 0 292.693 4.369 10 0 CIAERM Cc1ccc(C)c(-c2nc(C3CC3)c(C(=O)[O-])s2)c1 ZINC000082585010 178120766 /nfs/dbraw/zinc/12/07/66/178120766.db2.gz CRPLQNGIQWJUTF-UHFFFAOYSA-N -1 0 273.357 4.003 10 0 CIAERM Cc1nc(C(=O)[O-])c(-c2c(Cl)cccc2Cl)s1 ZINC000083239509 178366810 /nfs/dbraw/zinc/36/68/10/178366810.db2.gz RALOAWYOACLALZ-UHFFFAOYSA-N -1 0 288.155 4.124 10 0 CIAERM CSc1ccc([C@H](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000096890846 185123604 /nfs/dbraw/zinc/12/36/04/185123604.db2.gz DUHUYJQKCYEVGL-GFCCVEGCSA-N -1 0 266.406 4.403 10 0 CIAERM CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)[O-] ZINC000085484781 179080231 /nfs/dbraw/zinc/08/02/31/179080231.db2.gz OLKWYZYVQYPFIM-CKRBCLJCSA-N -1 0 285.170 4.277 10 0 CIAERM CC(C)Sc1ccc(C(C)(C)CCC(=O)[O-])cc1 ZINC000098160444 185694956 /nfs/dbraw/zinc/69/49/56/185694956.db2.gz OJWKAQKYBHPNEQ-UHFFFAOYSA-N -1 0 266.406 4.330 10 0 CIAERM CCCC[C@](CC)(Cc1ccc(F)cc1F)C(=O)[O-] ZINC000103937466 185864993 /nfs/dbraw/zinc/86/49/93/185864993.db2.gz HKJMEJRZJMLLAO-OAHLLOKOSA-N -1 0 270.319 4.179 10 0 CIAERM Cc1cccc(Oc2ccc(C(=O)[O-])c(C)c2)c1C ZINC000104172462 185916086 /nfs/dbraw/zinc/91/60/86/185916086.db2.gz BDUCGMRKHUIUOZ-UHFFFAOYSA-N -1 0 256.301 4.102 10 0 CIAERM CCCCCC[C@H](C)Nc1c(F)cccc1C(=O)[O-] ZINC000104170954 185916478 /nfs/dbraw/zinc/91/64/78/185916478.db2.gz IRRGJCKUHNWEBK-NSHDSACASA-N -1 0 267.344 4.295 10 0 CIAERM CC1(C)Cc2cc(C(=O)[O-])ccc2N[C@H]1c1ccccc1 ZINC000091691068 180227679 /nfs/dbraw/zinc/22/76/79/180227679.db2.gz MCEURHANBKWNRE-INIZCTEOSA-N -1 0 281.355 4.120 10 0 CIAERM COc1ccc(Nc2ccc(C)cc2C(=O)[O-])cc1Cl ZINC000105685025 186068379 /nfs/dbraw/zinc/06/83/79/186068379.db2.gz RBTVXBVMZGABTM-UHFFFAOYSA-N -1 0 291.734 4.099 10 0 CIAERM C[C@H]1CC=CC[C@@H]1COc1ccc(Cl)cc1C(=O)[O-] ZINC000109998587 186282192 /nfs/dbraw/zinc/28/21/92/186282192.db2.gz NDKCCYDUWRWJFD-WDEREUQCSA-N -1 0 280.751 4.019 10 0 CIAERM Cc1ccc(Cl)c(C)c1Nc1ccccc1C(=O)[O-] ZINC000211807306 189688596 /nfs/dbraw/zinc/68/85/96/189688596.db2.gz SJINXWLYMZDCEF-UHFFFAOYSA-N -1 0 275.735 4.399 10 0 CIAERM O=C([O-])c1ccc(NCc2cccc3ccccc32)cc1 ZINC000000572375 169670823 /nfs/dbraw/zinc/67/08/23/169670823.db2.gz UFWAPTVJZUXFSB-UHFFFAOYSA-N -1 0 277.323 4.150 10 0 CIAERM O=C([O-])CCc1ccc(-c2cccc(Cl)c2)cc1 ZINC000001259473 169693270 /nfs/dbraw/zinc/69/32/70/169693270.db2.gz IXDNSJJRSZSCKY-UHFFFAOYSA-N -1 0 260.720 4.024 10 0 CIAERM CC[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003876174 169918588 /nfs/dbraw/zinc/91/85/88/169918588.db2.gz QNDUUBVQYBBRBW-CYBMUJFWSA-N -1 0 280.323 4.041 10 0 in-man CIAERM CC(C)c1ccccc1-c1c([O-])c2ccccc2oc1=O ZINC000005447560 170100090 /nfs/dbraw/zinc/10/00/90/170100090.db2.gz GANAAJLJKAIISX-UHFFFAOYSA-N -1 0 280.323 4.289 10 0 CIAERM O=C([O-])[C@@H]1CCc2cc(CC3CCCC3)c(Cl)cc21 ZINC000006091470 170174901 /nfs/dbraw/zinc/17/49/01/170174901.db2.gz SKYWJQHJFLDKCI-CYBMUJFWSA-N -1 0 278.779 4.187 10 0 CIAERM Cc1ccc(C)c(Oc2ccc(C(=O)[O-])cc2)c1C ZINC000011804092 170442661 /nfs/dbraw/zinc/44/26/61/170442661.db2.gz XKGPAGUHJVEFAD-UHFFFAOYSA-N -1 0 256.301 4.102 10 0 CIAERM CCCOc1ccc(/C=C(\C(=O)[O-])c2ccccc2)cc1 ZINC000011829847 170444960 /nfs/dbraw/zinc/44/49/60/170444960.db2.gz TVMSNOVFORYDNQ-LGMDPLHJSA-N -1 0 282.339 4.101 10 0 CIAERM O=C([O-])/C=C/c1cccc(OCc2cccc(Cl)c2)c1 ZINC000011950420 170461147 /nfs/dbraw/zinc/46/11/47/170461147.db2.gz LEJCVUFDLHHJGS-BQYQJAHWSA-N -1 0 288.730 4.017 10 0 CIAERM Cc1cccc(S[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000011993723 170465372 /nfs/dbraw/zinc/46/53/72/170465372.db2.gz HCWRYSUDOKKSOZ-JTQLQIEISA-N -1 0 262.330 4.140 10 0 CIAERM Cc1ccc(S[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000019803764 170873229 /nfs/dbraw/zinc/87/32/29/170873229.db2.gz VGPSNIGZUKYKKJ-OAHLLOKOSA-N -1 0 272.369 4.221 10 0 CIAERM Cc1ccc(Sc2ccc(Cl)c(C(=O)[O-])n2)c(C)c1 ZINC000019992641 170963100 /nfs/dbraw/zinc/96/31/00/170963100.db2.gz UFLHAIRUISNWOU-UHFFFAOYSA-N -1 0 293.775 4.201 10 0 CIAERM O=C([O-])c1ccccc1Oc1ccccc1C(F)(F)F ZINC000020080617 170985747 /nfs/dbraw/zinc/98/57/47/170985747.db2.gz PFXSDSYITBTXNY-UHFFFAOYSA-N -1 0 282.217 4.196 10 0 CIAERM O=C([O-])[C@@H](Nc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000020271930 171126880 /nfs/dbraw/zinc/12/68/80/171126880.db2.gz KMAJRDDAYNNHDG-ZDUSSCGKSA-N -1 0 296.153 4.231 10 0 CIAERM CC(C)c1n[n-]c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000020303880 171140580 /nfs/dbraw/zinc/14/05/80/171140580.db2.gz NOOPTKAUXJQIFU-UHFFFAOYSA-N -1 0 287.310 4.072 10 0 CIAERM O=C([O-])c1ccc(OCCCSC2CCCCC2)cc1 ZINC000020397032 171180967 /nfs/dbraw/zinc/18/09/67/171180967.db2.gz GFNXYAVPENSYFN-UHFFFAOYSA-N -1 0 294.416 4.220 10 0 CIAERM O=C([O-])C1(c2ccc(Cl)cc2)CCCCCC1 ZINC000020429433 171194697 /nfs/dbraw/zinc/19/46/97/171194697.db2.gz CSWRQASBWHCAPL-UHFFFAOYSA-N -1 0 252.741 4.017 10 0 CIAERM CC(C)Cc1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000020432659 171197146 /nfs/dbraw/zinc/19/71/46/171197146.db2.gz RCRZIIUNULUROC-UHFFFAOYSA-N -1 0 260.358 4.312 10 0 CIAERM CCN(c1cccc(Cl)c1C(=O)[O-])C1CCCCC1 ZINC000020547890 171245661 /nfs/dbraw/zinc/24/56/61/171245661.db2.gz ZBIHGCWSYAWBEQ-UHFFFAOYSA-N -1 0 281.783 4.197 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Cc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1Cl ZINC000021812303 171329731 /nfs/dbraw/zinc/32/97/31/171329731.db2.gz QJFUSDWAFKEJAY-UHFFFAOYSA-N -1 0 296.153 4.260 10 0 CIAERM COc1ccc(-c2ccc(Cl)c(Cl)c2)c(C(=O)[O-])c1 ZINC000021950680 171339141 /nfs/dbraw/zinc/33/91/41/171339141.db2.gz BBJZPXCQKJWARN-UHFFFAOYSA-N -1 0 297.137 4.367 10 0 CIAERM CC(C)(C)c1ccc(-c2cc(F)ccc2C(=O)[O-])cc1 ZINC000021950517 171339410 /nfs/dbraw/zinc/33/94/10/171339410.db2.gz SBOLSXIZKYZXKN-UHFFFAOYSA-N -1 0 272.319 4.488 10 0 CIAERM Cc1ccc2c(c1)C=Cc1cc([C@@H](C)C(=O)[O-])ccc1O2 ZINC000026013970 171470512 /nfs/dbraw/zinc/47/05/12/171470512.db2.gz XNVLNFQCBXSGQH-GFCCVEGCSA-N -1 0 280.323 4.459 10 0 CIAERM C[C@@H](C(=O)[O-])c1cccc(C[C@H](C)c2ccccc2)c1 ZINC000028711058 171571652 /nfs/dbraw/zinc/57/16/52/171571652.db2.gz CYBCYXADPNRILW-UONOGXRCSA-N -1 0 268.356 4.221 10 0 CIAERM O=C([O-])c1ccc2nc(C3CCCCC3)sc2c1 ZINC000031894229 171655555 /nfs/dbraw/zinc/65/55/55/171655555.db2.gz SVJXEHUCAVKOID-UHFFFAOYSA-N -1 0 261.346 4.042 10 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O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cccc(Cl)c2s1 ZINC000037195286 173023682 /nfs/dbraw/zinc/02/36/82/173023682.db2.gz OBFDLCQSBLVGSK-IUCAKERBSA-N -1 0 295.791 4.308 10 0 CIAERM O=C([O-])c1cccc2c1ccn2Cc1ccc(Cl)s1 ZINC000037245057 173059451 /nfs/dbraw/zinc/05/94/51/173059451.db2.gz CLJJIDQCTWRAJV-UHFFFAOYSA-N -1 0 291.759 4.103 10 0 CIAERM O=C([O-])c1c[nH]cc1-c1ccc(-c2ccccc2)cc1 ZINC000037245256 173059728 /nfs/dbraw/zinc/05/97/28/173059728.db2.gz DNLHFEKYCFNUSL-UHFFFAOYSA-N -1 0 263.296 4.047 10 0 CIAERM C[C@@H]1C[C@H]1c1ccc(/C=C(\C(=O)[O-])c2cccs2)o1 ZINC000037375693 173165014 /nfs/dbraw/zinc/16/50/14/173165014.db2.gz FUZLQZFAFPLPBW-AETSXSFXSA-N -1 0 274.341 4.090 10 0 CIAERM O=C([O-])/C(=C\c1c(F)cccc1Cl)c1ccccc1 ZINC000037375793 173165565 /nfs/dbraw/zinc/16/55/65/173165565.db2.gz ATQDCRWMMGNRDA-LUAWRHEFSA-N -1 0 276.694 4.104 10 0 CIAERM C[C@H](SCc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000037405675 173181789 /nfs/dbraw/zinc/18/17/89/173181789.db2.gz WLFXHFFJPRGRJL-LBPRGKRZSA-N -1 0 272.369 4.060 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170238928 /nfs/dbraw/zinc/23/89/28/170238928.db2.gz FKRWZDXQFKTHKL-UHFFFAOYSA-N -1 0 274.222 4.076 10 0 CIAERM CC(C)(C)c1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000009189765 170365773 /nfs/dbraw/zinc/36/57/73/170365773.db2.gz MHVSTLSQGKGLDB-UHFFFAOYSA-N -1 0 260.358 4.411 10 0 CIAERM Cc1ccc(C[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000011588957 170423808 /nfs/dbraw/zinc/42/38/08/170423808.db2.gz OLFUZPSNXHCEAM-HNNXBMFYSA-N -1 0 274.747 4.059 10 0 CIAERM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)c1ccccc1Cl ZINC000011588944 170423875 /nfs/dbraw/zinc/42/38/75/170423875.db2.gz XGEDNYIQXUFZRT-ZDUSSCGKSA-N -1 0 295.165 4.404 10 0 CIAERM CC(C)[C@@H](Sc1ccc2ccccc2c1)C(=O)[O-] ZINC000011896532 170456995 /nfs/dbraw/zinc/45/69/95/170456995.db2.gz UXNNVZKHPSXZLF-CQSZACIVSA-N -1 0 260.358 4.041 10 0 CIAERM O=C([O-])[C@@H](c1ccc(Br)cc1)C1CCCCC1 ZINC000019726616 170845623 /nfs/dbraw/zinc/84/56/23/170845623.db2.gz OUBRRBKLVRLNBH-CYBMUJFWSA-N -1 0 297.192 4.198 10 0 CIAERM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 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ZINC000020362198 171161155 /nfs/dbraw/zinc/16/11/55/171161155.db2.gz PXVUPGZFSCYPFA-UHFFFAOYSA-N -1 0 289.762 4.421 10 0 CIAERM CCCCN(CCCC)c1cccc(Cl)c1C(=O)[O-] ZINC000020485905 171225534 /nfs/dbraw/zinc/22/55/34/171225534.db2.gz FQIYMLZRCPSGGA-UHFFFAOYSA-N -1 0 283.799 4.445 10 0 CIAERM CCCCCC[C@H](C)Oc1ccc(Cl)c(C(=O)[O-])n1 ZINC000020509059 171230104 /nfs/dbraw/zinc/23/01/04/171230104.db2.gz JNYISDHEWBXNPJ-JTQLQIEISA-N -1 0 285.771 4.171 10 0 CIAERM Cc1ccc(C)c(Oc2cccc(Cl)c2C(=O)[O-])c1 ZINC000020549787 171246585 /nfs/dbraw/zinc/24/65/85/171246585.db2.gz VTBSDFIGHFQISG-UHFFFAOYSA-N -1 0 276.719 4.447 10 0 CIAERM Cc1ccc(C(=O)[O-])cc1NCc1ccc(C(C)C)cc1 ZINC000020881445 171277754 /nfs/dbraw/zinc/27/77/54/171277754.db2.gz TUOQLDQPTDOGMH-UHFFFAOYSA-N -1 0 283.371 4.429 10 0 CIAERM Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000021030259 171291764 /nfs/dbraw/zinc/29/17/64/171291764.db2.gz FVSIABSZWDMBAU-UHFFFAOYSA-N -1 0 296.153 4.260 10 0 CIAERM CC(C)(C)[C@H]1CCCc2c1nc1ccccc1c2C(=O)[O-] 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CIAERM COc1ccc([C@H](CC(=O)[O-])C(C)C)cc1C(C)C ZINC000036140692 518161798 /nfs/dbraw/zinc/16/17/98/518161798.db2.gz UGRKVZCNZLDRPG-CYBMUJFWSA-N -1 0 264.365 4.033 10 0 CIAERM CC(C)(C)c1nc(-c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000062490687 519089884 /nfs/dbraw/zinc/08/98/84/519089884.db2.gz ZTTRJHMOGYQMEH-UHFFFAOYSA-N -1 0 295.791 4.459 10 0 CIAERM CCC[C@](C)(Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000054632646 521273500 /nfs/dbraw/zinc/27/35/00/521273500.db2.gz KZAGTMXUGCDELV-CYBMUJFWSA-N -1 0 274.282 4.139 10 0 CIAERM CC[C@H](Cc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000062711229 522307619 /nfs/dbraw/zinc/30/76/19/522307619.db2.gz WQNGMTFTTSBBEX-CQSZACIVSA-N -1 0 270.328 4.132 10 0 CIAERM CC[C@@H](SCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000058252769 523077703 /nfs/dbraw/zinc/07/77/03/523077703.db2.gz VIWPGUMTFKIWOT-SNVBAGLBSA-N -1 0 279.188 4.090 10 0 CIAERM CC[C@H]1CC[C@H](C(=O)[O-])[C@H](SCc2ccccc2)C1 ZINC000062764691 523201415 /nfs/dbraw/zinc/20/14/15/523201415.db2.gz DQQFBZVIVNEKNF-AEGPPILISA-N -1 0 278.417 4.199 10 0 CIAERM C[C@H](CCC(=O)[O-])Oc1ccc(Cl)c2ccccc12 ZINC000050955225 524121697 /nfs/dbraw/zinc/12/16/97/524121697.db2.gz KIQCYMNMRPNKND-SNVBAGLBSA-N -1 0 278.735 4.125 10 0 CIAERM Cc1ccccc1CSc1cc(C(=O)[O-])cc(Cl)n1 ZINC000054963718 525186136 /nfs/dbraw/zinc/18/61/36/525186136.db2.gz XKYZSIPQVVIPDS-UHFFFAOYSA-N -1 0 293.775 4.034 10 0 CIAERM C[C@@H](Oc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000062796449 525923507 /nfs/dbraw/zinc/92/35/07/525923507.db2.gz CNHXHPZGGOOANI-SNVBAGLBSA-N -1 0 276.719 4.178 10 0 CIAERM Cc1ccc(C(=O)[O-])c(N(C)Cc2ccc(Cl)s2)c1 ZINC000054534900 526231563 /nfs/dbraw/zinc/23/15/63/526231563.db2.gz SUKABMJARRHARD-UHFFFAOYSA-N -1 0 295.791 4.045 10 0 CIAERM Cc1ccc(C(C)C)c(Oc2ccc(C(=O)[O-])o2)c1 ZINC000050907449 526249324 /nfs/dbraw/zinc/24/93/24/526249324.db2.gz BMTZXPVRFHWEMC-UHFFFAOYSA-N -1 0 260.289 4.202 10 0 CIAERM O=C([O-])[C@@H]1CCCC[C@H]1Sc1cccc(Cl)c1 ZINC000062766589 526270195 /nfs/dbraw/zinc/27/01/95/526270195.db2.gz CJNDVORFBKEXLR-VXGBXAGGSA-N -1 0 270.781 4.076 10 0 CIAERM O=C([O-])[C@H](Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000057989877 526307348 /nfs/dbraw/zinc/30/73/48/526307348.db2.gz GAHMVMKTYSKDQS-CYBMUJFWSA-N -1 0 294.272 4.116 10 0 CIAERM O=C([O-])[C@H]1CCCCC[C@H]1c1cccc(Cl)c1 ZINC000062624767 526318662 /nfs/dbraw/zinc/31/86/62/526318662.db2.gz XRWAGELYDUXBLR-STQMWFEESA-N -1 0 252.741 4.089 10 0 CIAERM O=C([O-])c1ccc(Nc2cc(Cl)ccc2Cl)o1 ZINC000050907894 526379240 /nfs/dbraw/zinc/37/92/40/526379240.db2.gz BLPABBHMHAGPLJ-UHFFFAOYSA-N -1 0 272.087 4.028 10 0 CIAERM O=C([O-])c1sc(-c2ccc(Cl)cc2)nc1C1CC1 ZINC000062490691 526411292 /nfs/dbraw/zinc/41/12/92/526411292.db2.gz RYYDFVCIARJVGO-UHFFFAOYSA-N -1 0 279.748 4.039 10 0 CIAERM O=C([O-])/C=C/c1ccc(CSc2cccs2)cc1 ZINC000049627788 527546915 /nfs/dbraw/zinc/54/69/15/527546915.db2.gz UPVXEECCMRLMQB-BQYQJAHWSA-N -1 0 276.382 4.138 10 0 CIAERM CC[C@]1(C)O[C@@H]1CC/C(C)=C/CC/C(C)=C/C(=O)[O-] ZINC000013524525 560218562 /nfs/dbraw/zinc/21/85/62/560218562.db2.gz CZRJNVJQSPMQTQ-XKLQKUTNSA-N -1 0 266.381 4.092 10 0 in-vitro CIAERM CC(C)(C)c1oc(C2CCCCC2)c(C(=O)[O-])c1C=O ZINC000675053434 566933453 /nfs/dbraw/zinc/93/34/53/566933453.db2.gz KFUKMVRFHVAZHO-UHFFFAOYSA-N -1 0 278.348 4.136 10 0 CIAERM CCc1cccc2c(-c3ccccc3)c(C(=O)[O-])n(C)c21 ZINC000058823707 567217767 /nfs/dbraw/zinc/21/77/67/567217767.db2.gz KSTWFSYVBRSUTM-UHFFFAOYSA-N -1 0 279.339 4.106 10 0 CIAERM Cc1ccc(C)c(Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000041434386 567891418 /nfs/dbraw/zinc/89/14/18/567891418.db2.gz QWSXKRFLXXUTBQ-UHFFFAOYSA-N -1 0 279.339 4.005 10 0 CIAERM CC(C)c1ccc2c(c1)C(C)(C)C[C@H](C(=O)[O-])S2 ZINC000725255620 567915356 /nfs/dbraw/zinc/91/53/56/567915356.db2.gz GHJRXHKCQQEVSS-CYBMUJFWSA-N -1 0 264.390 4.037 10 0 CIAERM CC(C)C[C@H](C)c1cc(Br)sc1C(=O)[O-] ZINC000675057469 570364687 /nfs/dbraw/zinc/36/46/87/570364687.db2.gz CKYFTHZCMAXHKH-ZETCQYMHSA-N -1 0 291.210 4.358 10 0 CIAERM CC(C)(C)[Si](C)(C)n1ccc2ccc([S@](=O)[O-])cc21 ZINC000675062600 570365977 /nfs/dbraw/zinc/36/59/77/570365977.db2.gz YDUAISLDETWJIW-UHFFFAOYSA-N -1 0 295.480 4.075 10 0 CIAERM Cc1c(C(=O)[O-])c2cccc(Cl)c2n1Cc1ccccc1 ZINC000675070033 570366536 /nfs/dbraw/zinc/36/65/36/570366536.db2.gz ZUMQIRNKFNGDEE-UHFFFAOYSA-N -1 0 299.757 4.350 10 0 CIAERM