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CSC1(C(=O)CCC(=O)[O-])CC1 308003929 572378341 /nfs/dbraw/zinc/37/83/41/572378341.db2.gz JYXSBWRAXBXGHI-UHFFFAOYSA-N -1 0 188.248 1.316 10 0 ADAERM CC(C)c1ccn(C)c1C(=O)[O-] 76595924 572378625 /nfs/dbraw/zinc/37/86/25/572378625.db2.gz UFKBOIPOUNTART-UHFFFAOYSA-N -1 0 167.208 1.847 10 0 ADAERM Cc1ncccc1OC/C=C/C(=O)[O-] 87153643 572378619 /nfs/dbraw/zinc/37/86/19/572378619.db2.gz JHAQAJDTIBDCPR-HWKANZROSA-N -1 0 193.202 1.410 10 0 ADAERM CCC[C@](C)(C(=O)[O-])[C@H](C)CO 308004462 572378658 /nfs/dbraw/zinc/37/86/58/572378658.db2.gz KMZJDCBOWZGABY-APPZFPTMSA-N -1 0 174.240 1.506 10 0 ADAERM O=C([O-])[C@@H]1CC[C@H]2COC[C@@H]2C1 76597899 572378722 /nfs/dbraw/zinc/37/87/22/572378722.db2.gz IOCUKFJWUDJQIF-CSMHCCOUSA-N -1 0 170.208 1.134 10 0 ADAERM CCC[C@](C)(C(=O)[O-])[C@@H](C)CO 308004463 572378770 /nfs/dbraw/zinc/37/87/70/572378770.db2.gz KMZJDCBOWZGABY-CBAPKCEASA-N -1 0 174.240 1.506 10 0 ADAERM Cc1ncccc1OCCC(=O)[O-] 87153617 572378777 /nfs/dbraw/zinc/37/87/77/572378777.db2.gz BZAFXJWMFNTHIY-UHFFFAOYSA-N -1 0 181.191 1.244 10 0 ADAERM CC[C@@H](Oc1cccnc1C)C(=O)[O-] 87153647 572378878 /nfs/dbraw/zinc/37/88/78/572378878.db2.gz VNWKAYFXZMUXTL-MRVPVSSYSA-N -1 0 195.218 1.632 10 0 ADAERM CCC[C@@](C)(C(=O)[O-])[C@@H](C)CO 308004464 572379061 /nfs/dbraw/zinc/37/90/61/572379061.db2.gz KMZJDCBOWZGABY-IONNQARKSA-N -1 0 174.240 1.506 10 0 ADAERM CCC[C@@](C)(CC(N)=O)CC(=O)[O-] 238223035 572379157 /nfs/dbraw/zinc/37/91/57/572379157.db2.gz LQEIZUCCCOWHKX-VIFPVBQESA-N -1 0 187.239 1.143 10 0 ADAERM CSc1ccn(C)c1C(=O)[O-] 76598489 572379160 /nfs/dbraw/zinc/37/91/60/572379160.db2.gz FIPBKZZPOSYBIY-UHFFFAOYSA-N -1 0 171.221 1.445 10 0 ADAERM Cc1c(F)c(C)n(C)c1C(=O)[O-] 76598433 572379217 /nfs/dbraw/zinc/37/92/17/572379217.db2.gz NRRQGKMIRUPMMK-UHFFFAOYSA-N -1 0 171.171 1.479 10 0 ADAERM CC1=CC[C@H]([C@H]2OC(=O)[N-]C2=O)CC1 39435594 572379269 /nfs/dbraw/zinc/37/92/69/572379269.db2.gz PIZFTHZSTFDGSE-JGVFFNPUSA-N -1 0 195.218 1.368 10 0 ADAERM CCC(CC)[C@@]1(C(=O)[O-])CCOC1 87158248 572379345 /nfs/dbraw/zinc/37/93/45/572379345.db2.gz TWWUTRJEWOFDEG-SNVBAGLBSA-N -1 0 186.251 1.914 10 0 ADAERM CCC[C@H](CC)OC(=O)NC(N)=O 238222778 572379449 /nfs/dbraw/zinc/37/94/49/572379449.db2.gz DJXNMIYKDHLMRP-LURJTMIESA-N -1 0 188.227 1.370 10 0 ADAERM CC1=CC[C@H]([C@@H]2OC(=O)[N-]C2=O)CC1 39435596 572379483 /nfs/dbraw/zinc/37/94/83/572379483.db2.gz PIZFTHZSTFDGSE-YUMQZZPRSA-N -1 0 195.218 1.368 10 0 ADAERM CCC[C@H](CCC(=O)[O-])OC(C)=O 238224583 572380272 /nfs/dbraw/zinc/38/02/72/572380272.db2.gz LCJNFUIKUGLOMY-MRVPVSSYSA-N -1 0 188.223 1.583 10 0 ADAERM CC(=O)c1cc(C(=O)[O-])sn1 76598435 572380312 /nfs/dbraw/zinc/38/03/12/572380312.db2.gz RQDCGMUVGYNNMX-UHFFFAOYSA-N -1 0 171.177 1.044 10 0 ADAERM C[C@H](OCOC(C)(C)C)C(=O)[O-] 308004712 572380423 /nfs/dbraw/zinc/38/04/23/572380423.db2.gz CSICWPTUAHVFCM-LURJTMIESA-N -1 0 176.212 1.249 10 0 ADAERM O=C([O-])CCC[C@H]1CC[C@@H](O)CC1 308005800 572380425 /nfs/dbraw/zinc/38/04/25/572380425.db2.gz BCFSQDRDBNPMIF-DTORHVGOSA-N -1 0 186.251 1.792 10 0 ADAERM O=C1CCCCCC=C(C(=O)[O-])C1 308004912 572380495 /nfs/dbraw/zinc/38/04/95/572380495.db2.gz AGLXDJMAGAINMH-UHFFFAOYSA-N -1 0 182.219 1.921 10 0 ADAERM CC=C=C(CCCC)[C@H](O)C(=O)[O-] 308005924 572380569 /nfs/dbraw/zinc/38/05/69/572380569.db2.gz BQBTVGPEXFJKEC-HSOSERFQSA-N -1 0 184.235 1.724 10 0 ADAERM CCC(=O)[C@@H](C)CCCC(=O)[O-] 238223009 572380709 /nfs/dbraw/zinc/38/07/09/572380709.db2.gz HMQYZCCXPRFZHY-ZETCQYMHSA-N -1 0 172.224 1.857 10 0 ADAERM CCCCC[C@@H]1SC(N)=NC1=O 238223186 572380805 /nfs/dbraw/zinc/38/08/05/572380805.db2.gz LHNGXDVCDBOORH-LURJTMIESA-N -1 0 186.280 1.523 10 0 ADAERM O=C([O-])CCC[C@H]1CC[C@H](O)CC1 308005804 572380904 /nfs/dbraw/zinc/38/09/04/572380904.db2.gz BCFSQDRDBNPMIF-KYZUINATSA-N -1 0 186.251 1.792 10 0 ADAERM O=C([O-])[C@@H]1CC=CC[C@H]1CCCO 238676785 572381059 /nfs/dbraw/zinc/38/10/59/572381059.db2.gz JYLVYFCLSSSMDH-DTWKUNHWSA-N -1 0 184.235 1.426 10 0 ADAERM CC1=C([C@H]2OC(=O)[N-]C2=O)CCCC1 39435603 572381107 /nfs/dbraw/zinc/38/11/07/572381107.db2.gz BUKKKNRGPNREJK-MRVPVSSYSA-N -1 0 195.218 1.512 10 0 ADAERM COC(=O)/C(=C/CC(C)C)C(=O)[O-] 308005858 572381206 /nfs/dbraw/zinc/38/12/06/572381206.db2.gz BFJYFFOKXYLAAN-FNORWQNLSA-N -1 0 186.207 1.217 10 0 ADAERM C[C@@H](OCOC(C)(C)C)C(=O)[O-] 308004718 572381522 /nfs/dbraw/zinc/38/15/22/572381522.db2.gz CSICWPTUAHVFCM-ZCFIWIBFSA-N -1 0 176.212 1.249 10 0 ADAERM O=C([O-])/C=C1\COc2ccccc21 308004709 572381683 /nfs/dbraw/zinc/38/16/83/572381683.db2.gz ZRXMRFJXROONDF-FNORWQNLSA-N -1 0 176.171 1.547 10 0 ADAERM CCC(CC)[C@]1(C(=O)[O-])CCOC1 87158246 572381744 /nfs/dbraw/zinc/38/17/44/572381744.db2.gz TWWUTRJEWOFDEG-JTQLQIEISA-N -1 0 186.251 1.914 10 0 ADAERM O=C([O-])[C@H]1CC=CC[C@H]1CCCO 238676770 572381950 /nfs/dbraw/zinc/38/19/50/572381950.db2.gz JYLVYFCLSSSMDH-IUCAKERBSA-N -1 0 184.235 1.426 10 0 ADAERM CC(=O)[C@H](C)[C@H](C(=O)[O-])C(C)C 238222910 572382323 /nfs/dbraw/zinc/38/23/23/572382323.db2.gz CMNLLOZSGIGWQB-POYBYMJQSA-N -1 0 172.224 1.568 10 0 ADAERM CCSCC(=O)C(F)(F)C(=O)[O-] 308005391 572382161 /nfs/dbraw/zinc/38/21/61/572382161.db2.gz LEBDYCBNENKRPV-UHFFFAOYSA-N -1 0 198.190 1.029 10 0 ADAERM CC(C)=CCC/C(=C\CO)C(=O)[O-] 308005863 572382278 /nfs/dbraw/zinc/38/22/78/572382278.db2.gz BITPFOTXJKOIGS-RMKNXTFCSA-N -1 0 184.235 1.736 10 0 ADAERM CCC[C@H](CCC(=O)OC)C(=O)[O-] 238224291 572382310 /nfs/dbraw/zinc/38/23/10/572382310.db2.gz FGUXMTOEXRGFAG-SSDOTTSWSA-N -1 0 188.223 1.441 10 0 ADAERM CC1=CC[C@@H]([C@H]2OC(=O)[N-]C2=O)CC1 39435595 572382354 /nfs/dbraw/zinc/38/23/54/572382354.db2.gz PIZFTHZSTFDGSE-HTQZYQBOSA-N -1 0 195.218 1.368 10 0 ADAERM CC1=C([C@@H]2OC(=O)[N-]C2=O)CCCC1 39435604 572382448 /nfs/dbraw/zinc/38/24/48/572382448.db2.gz BUKKKNRGPNREJK-QMMMGPOBSA-N -1 0 195.218 1.512 10 0 ADAERM O=C([O-])Cc1ccc([C@@H](O)CF)cc1 238678894 572382528 /nfs/dbraw/zinc/38/25/28/572382528.db2.gz ZZDWQDWZJRUNBD-VIFPVBQESA-N -1 0 198.193 1.317 10 0 ADAERM CO[C@H](C/C(C)=C/Cl)C(=O)[O-] 206716202 572382532 /nfs/dbraw/zinc/38/25/32/572382532.db2.gz NJOBZKXVWYUMPQ-BMMSZFGTSA-N -1 0 178.615 1.619 10 0 ADAERM CC1=CC[C@@H]([C@@H]2OC(=O)[N-]C2=O)CC1 39435597 572382760 /nfs/dbraw/zinc/38/27/60/572382760.db2.gz PIZFTHZSTFDGSE-SFYZADRCSA-N -1 0 195.218 1.368 10 0 ADAERM CC=C=C(CCCC)[C@@H](O)C(=O)[O-] 308005932 572383389 /nfs/dbraw/zinc/38/33/89/572383389.db2.gz BQBTVGPEXFJKEC-IOJJLOCKSA-N -1 0 184.235 1.724 10 0 ADAERM CO[C@H]1[C@@H](C(=O)[O-])[C@H]1CC(C)C 76599192 572383497 /nfs/dbraw/zinc/38/34/97/572383497.db2.gz NTDRELMORLWDPV-GJMOJQLCSA-N -1 0 172.224 1.378 10 0 ADAERM C[C@@H]1O[C@H](C)CC[C@H]1CC(=O)[O-] 76599168 572383509 /nfs/dbraw/zinc/38/35/09/572383509.db2.gz LLBVZGYRNJQTIQ-CSMHCCOUSA-N -1 0 172.224 1.665 10 0 ADAERM CO[C@@H]1[C@H](CC(C)C)[C@H]1C(=O)[O-] 76599195 572383520 /nfs/dbraw/zinc/38/35/20/572383520.db2.gz NTDRELMORLWDPV-BWZBUEFSSA-N -1 0 172.224 1.378 10 0 ADAERM O=C([O-])[C@@H]1CC=CC[C@@H]1CCCO 238681227 572383536 /nfs/dbraw/zinc/38/35/36/572383536.db2.gz JYLVYFCLSSSMDH-RKDXNWHRSA-N -1 0 184.235 1.426 10 0 ADAERM CO[C@@H]1[C@@H](CC(C)C)[C@H]1C(=O)[O-] 76599197 572386453 /nfs/dbraw/zinc/38/64/53/572386453.db2.gz NTDRELMORLWDPV-XLPZGREQSA-N -1 0 172.224 1.378 10 0 ADAERM C[C@@H]1CC[C@H](CCC(=O)[O-])CO1 76599176 572383541 /nfs/dbraw/zinc/38/35/41/572383541.db2.gz DHFIUWJNHDFJDG-HTQZYQBOSA-N -1 0 172.224 1.666 10 0 ADAERM CC[C@@H]1OCCC[C@@H]1CC(=O)[O-] 76599165 572383627 /nfs/dbraw/zinc/38/36/27/572383627.db2.gz QODONEXHEQTDJO-SFYZADRCSA-N -1 0 172.224 1.666 10 0 ADAERM CC[C@@H]1OCCC[C@H]1CC(=O)[O-] 76599161 572383646 /nfs/dbraw/zinc/38/36/46/572383646.db2.gz QODONEXHEQTDJO-YUMQZZPRSA-N -1 0 172.224 1.666 10 0 ADAERM O=C([O-])C1CC2(CCCOC2)C1 76597878 572383727 /nfs/dbraw/zinc/38/37/27/572383727.db2.gz JVSZJFNFYSLVHN-UHFFFAOYSA-N -1 0 170.208 1.278 10 0 ADAERM O=C([O-])[C@H]1[C@H](O)C12CCCCC2 76597872 572383938 /nfs/dbraw/zinc/38/39/38/572383938.db2.gz ZRIDPFWSSGAGMK-RQJHMYQMSA-N -1 0 170.208 1.012 10 0 ADAERM CC1(C)CC[C@@H](CC(=O)[O-])CO1 76599171 572383943 /nfs/dbraw/zinc/38/39/43/572383943.db2.gz GAZZGTREKCDQDP-ZETCQYMHSA-N -1 0 172.224 1.666 10 0 ADAERM C=C(/C=C/C(=O)[O-])C(=O)N(CC)CC 238223422 572384172 /nfs/dbraw/zinc/38/41/72/572384172.db2.gz BUVZBBCGKVAQJK-VOTSOKGWSA-N -1 0 197.234 1.052 10 0 ADAERM CCCCCC[C@H](NO)C(=O)[O-] 238223494 572384180 /nfs/dbraw/zinc/38/41/80/572384180.db2.gz OFNCXXSVLJMCBC-ZETCQYMHSA-N -1 0 175.228 1.389 10 0 ADAERM O=C([O-])C1(C2CCCC2)COC1 76597888 572384327 /nfs/dbraw/zinc/38/43/27/572384327.db2.gz QEDAONLEFFBIDY-UHFFFAOYSA-N -1 0 170.208 1.278 10 0 ADAERM C[C@H]1CC[C@H](CCC(=O)[O-])CO1 76599178 572384471 /nfs/dbraw/zinc/38/44/71/572384471.db2.gz DHFIUWJNHDFJDG-JGVFFNPUSA-N -1 0 172.224 1.666 10 0 ADAERM C[C@@H]1OCCC[C@H]1CCC(=O)[O-] 76599185 572384493 /nfs/dbraw/zinc/38/44/93/572384493.db2.gz BWNRNZNEWKRHMH-YUMQZZPRSA-N -1 0 172.224 1.666 10 0 ADAERM CCCCN1C(=O)CC[C@H]1CC(=O)[O-] 238223317 572384535 /nfs/dbraw/zinc/38/45/35/572384535.db2.gz MRSSIYIHWIJQPF-QMMMGPOBSA-N -1 0 199.250 1.252 10 0 ADAERM CC[C@H]1CC[C@H](CC(=O)[O-])CO1 76599155 572384673 /nfs/dbraw/zinc/38/46/73/572384673.db2.gz OVTGTOCYODRWCT-SFYZADRCSA-N -1 0 172.224 1.666 10 0 ADAERM CC[C@H]1CC[C@@H](CC(=O)[O-])CO1 76599157 572384757 /nfs/dbraw/zinc/38/47/57/572384757.db2.gz OVTGTOCYODRWCT-YUMQZZPRSA-N -1 0 172.224 1.666 10 0 ADAERM C[C@H]1OCCC[C@H]1CCC(=O)[O-] 76599183 572384935 /nfs/dbraw/zinc/38/49/35/572384935.db2.gz BWNRNZNEWKRHMH-SFYZADRCSA-N -1 0 172.224 1.666 10 0 ADAERM C[C@H]1CC[C@@H](CCC(=O)[O-])CO1 76599182 572384976 /nfs/dbraw/zinc/38/49/76/572384976.db2.gz DHFIUWJNHDFJDG-YUMQZZPRSA-N -1 0 172.224 1.666 10 0 ADAERM O=C([O-])[C@H]1CC=CC[C@@H]1CCCO 238681207 572384979 /nfs/dbraw/zinc/38/49/79/572384979.db2.gz JYLVYFCLSSSMDH-BDAKNGLRSA-N -1 0 184.235 1.426 10 0 ADAERM CC[C@@H]1CC[C@H](CC(=O)[O-])CO1 76599153 572385121 /nfs/dbraw/zinc/38/51/21/572385121.db2.gz OVTGTOCYODRWCT-HTQZYQBOSA-N -1 0 172.224 1.666 10 0 ADAERM O=C([O-])[C@@H]1[C@@H](O)C12CCCCC2 76597875 572385364 /nfs/dbraw/zinc/38/53/64/572385364.db2.gz ZRIDPFWSSGAGMK-NKWVEPMBSA-N -1 0 170.208 1.012 10 0 ADAERM CC1(C)OCCC[C@H]1CC(=O)[O-] 76599173 572385537 /nfs/dbraw/zinc/38/55/37/572385537.db2.gz AFORNLGZOFOZTR-ZETCQYMHSA-N -1 0 172.224 1.666 10 0 ADAERM CC(=O)[C@@H](C)[C@H](C(=O)[O-])C(C)C 238223660 572385568 /nfs/dbraw/zinc/38/55/68/572385568.db2.gz CMNLLOZSGIGWQB-HTRCEHHLSA-N -1 0 172.224 1.568 10 0 ADAERM O=C([O-])[C@H]1[C@@H](O)C12CCCCC2 76597876 572385632 /nfs/dbraw/zinc/38/56/32/572385632.db2.gz ZRIDPFWSSGAGMK-RNFRBKRXSA-N -1 0 170.208 1.012 10 0 ADAERM CC[C@H]1OCCC[C@H]1CC(=O)[O-] 76599159 572385760 /nfs/dbraw/zinc/38/57/60/572385760.db2.gz QODONEXHEQTDJO-JGVFFNPUSA-N -1 0 172.224 1.666 10 0 ADAERM CC1(C)OCCC[C@@H]1CC(=O)[O-] 76599174 572385857 /nfs/dbraw/zinc/38/58/57/572385857.db2.gz AFORNLGZOFOZTR-SSDOTTSWSA-N -1 0 172.224 1.666 10 0 ADAERM O=C([O-])[C@@H]1[C@H](O)C12CCCCC2 76597870 572385894 /nfs/dbraw/zinc/38/58/94/572385894.db2.gz ZRIDPFWSSGAGMK-BQBZGAKWSA-N -1 0 170.208 1.012 10 0 ADAERM CO[C@@H]1[C@@H](CC(C)C)[C@@H]1C(=O)[O-] 76599193 572385945 /nfs/dbraw/zinc/38/59/45/572385945.db2.gz NTDRELMORLWDPV-BIIVOSGPSA-N -1 0 172.224 1.378 10 0 ADAERM CC[C@H]1OCCC[C@@H]1CC(=O)[O-] 76599162 572385958 /nfs/dbraw/zinc/38/59/58/572385958.db2.gz QODONEXHEQTDJO-HTQZYQBOSA-N -1 0 172.224 1.666 10 0 ADAERM C[C@@H]1O[C@H](C)CC[C@@H]1CC(=O)[O-] 76599167 572386164 /nfs/dbraw/zinc/38/61/64/572386164.db2.gz LLBVZGYRNJQTIQ-GJMOJQLCSA-N -1 0 172.224 1.665 10 0 ADAERM CC[C@@H]1CC[C@@H](CC(=O)[O-])CO1 76599156 572386198 /nfs/dbraw/zinc/38/61/98/572386198.db2.gz OVTGTOCYODRWCT-JGVFFNPUSA-N -1 0 172.224 1.666 10 0 ADAERM O=C([O-])CC(O)=CC(=O)c1ccco1 238686575 572386221 /nfs/dbraw/zinc/38/62/21/572386221.db2.gz BZLSXUQBQZOIER-AATRIKPKSA-N -1 0 196.158 1.379 10 0 ADAERM C[C@@H]1OCCC[C@@H]1CCC(=O)[O-] 76599189 572386285 /nfs/dbraw/zinc/38/62/85/572386285.db2.gz BWNRNZNEWKRHMH-JGVFFNPUSA-N -1 0 172.224 1.666 10 0 ADAERM CC1(C)CC[C@H](CC(=O)[O-])CO1 76599170 572386316 /nfs/dbraw/zinc/38/63/16/572386316.db2.gz GAZZGTREKCDQDP-SSDOTTSWSA-N -1 0 172.224 1.666 10 0 ADAERM C[C@H]1OCCC[C@@H]1CCC(=O)[O-] 76599188 572386351 /nfs/dbraw/zinc/38/63/51/572386351.db2.gz BWNRNZNEWKRHMH-HTQZYQBOSA-N -1 0 172.224 1.666 10 0 ADAERM O=C([O-])CC(O)=CC(=O)c1ccoc1 238686618 572386736 /nfs/dbraw/zinc/38/67/36/572386736.db2.gz YLQLMWPRSJZHHX-QPJJXVBHSA-N -1 0 196.158 1.379 10 0 ADAERM O=C([O-])C1C[C@@H]2CSC[C@H]2C1 76599317 572386994 /nfs/dbraw/zinc/38/69/94/572386994.db2.gz LSFYLVIQPRMWFV-RNFRBKRXSA-N -1 0 172.249 1.460 10 0 ADAERM CCC[C@H](C)CS(=O)(=O)[O-] 117063359 572387032 /nfs/dbraw/zinc/38/70/32/572387032.db2.gz PQDJSMBWJOFMPZ-LURJTMIESA-N -1 0 166.242 1.310 10 0 ADAERM Cc1[nH]c(CC(=O)[O-])cc1Cl 76600122 572387039 /nfs/dbraw/zinc/38/70/39/572387039.db2.gz FDRYZQNUNQYMSM-UHFFFAOYSA-N -1 0 173.599 1.604 10 0 ADAERM CC(=O)C[C@H](CC(=O)[O-])C(C)C 238226639 572387232 /nfs/dbraw/zinc/38/72/32/572387232.db2.gz RPZMQTFTBXQQAW-MRVPVSSYSA-N -1 0 172.224 1.712 10 0 ADAERM O=C([O-])C1C[C@H]2CSC[C@@H]2C1 76599312 572387460 /nfs/dbraw/zinc/38/74/60/572387460.db2.gz LSFYLVIQPRMWFV-BQBZGAKWSA-N -1 0 172.249 1.460 10 0 ADAERM O=C([O-])[C@@H]1CC[C@H]2SC[C@H]2C1 76599297 572387503 /nfs/dbraw/zinc/38/75/03/572387503.db2.gz NEYLGXLVZYZYEZ-FSDSQADBSA-N -1 0 172.249 1.603 10 0 ADAERM O=C([O-])[C@@H]1CC[C@H]2SC[C@@H]2C1 76599291 572387760 /nfs/dbraw/zinc/38/77/60/572387760.db2.gz NEYLGXLVZYZYEZ-DSYKOEDSSA-N -1 0 172.249 1.603 10 0 ADAERM CCC[C@@H](C)CS(=O)(=O)[O-] 117063357 572387771 /nfs/dbraw/zinc/38/77/71/572387771.db2.gz PQDJSMBWJOFMPZ-ZCFIWIBFSA-N -1 0 166.242 1.310 10 0 ADAERM CCCCC(=O)SCC(=O)[O-] 238226357 572387795 /nfs/dbraw/zinc/38/77/95/572387795.db2.gz OFQOTZGZTRISBQ-UHFFFAOYSA-N -1 0 176.237 1.521 10 0 ADAERM O=C([O-])[C@@H]1CC[C@@H]2SC[C@H]2C1 76599300 572387926 /nfs/dbraw/zinc/38/79/26/572387926.db2.gz NEYLGXLVZYZYEZ-QYNIQEEDSA-N -1 0 172.249 1.603 10 0 ADAERM CCOCOc1ccccc1C(=O)[O-] 83755891 572388029 /nfs/dbraw/zinc/38/80/29/572388029.db2.gz XDYVDRMNGKGIJA-UHFFFAOYSA-N -1 0 196.202 1.758 10 0 ADAERM O=C([O-])C1CC2(CCSC2)C1 76599271 572388269 /nfs/dbraw/zinc/38/82/69/572388269.db2.gz YBCPLVOXXKBUMP-UHFFFAOYSA-N -1 0 172.249 1.604 10 0 ADAERM COCOc1ccsc1C(=O)[O-] 83748431 572388606 /nfs/dbraw/zinc/38/86/06/572388606.db2.gz DWFVXHJGGJXXMD-UHFFFAOYSA-N -1 0 188.204 1.429 10 0 ADAERM C[C@@H]1[C@@H](C(=O)[O-])[C@@]12CCSC2 76599284 572388809 /nfs/dbraw/zinc/38/88/09/572388809.db2.gz DHVVUQCZHIXTPQ-GKROBHDKSA-N -1 0 172.249 1.460 10 0 ADAERM C/C(=C/[C@H](C)[C@H](C)C(=O)[O-])[C@@H](C)O 308006309 572388848 /nfs/dbraw/zinc/38/88/48/572388848.db2.gz DBEHFGQYFGUTED-KKZRXXQESA-N -1 0 186.251 1.670 10 0 ADAERM COCSc1cc(C(=O)[O-])ccn1 83748452 572389076 /nfs/dbraw/zinc/38/90/76/572389076.db2.gz HQDHANWQHPYXAN-UHFFFAOYSA-N -1 0 199.231 1.476 10 0 ADAERM O=C([O-])CCC[C@@H](O)C1CCCC1 238700797 572389447 /nfs/dbraw/zinc/38/94/47/572389447.db2.gz MKNKAYSJNOJODK-SECBINFHSA-N -1 0 186.251 1.792 10 0 ADAERM C/C(=C\[C@H](C)[C@H](C)C(=O)[O-])[C@H](C)O 308006311 572389691 /nfs/dbraw/zinc/38/96/91/572389691.db2.gz DBEHFGQYFGUTED-VDVDTYTJSA-N -1 0 186.251 1.670 10 0 ADAERM CC(C)[C@H](CC(=O)C1CC1)C(=O)[O-] 238226422 572389792 /nfs/dbraw/zinc/38/97/92/572389792.db2.gz JWJQJZQYXCTZLM-QMMMGPOBSA-N -1 0 184.235 1.712 10 0 ADAERM C[C@@H]1[C@H](C(=O)[O-])[C@@]12CCSC2 76599279 572389966 /nfs/dbraw/zinc/38/99/66/572389966.db2.gz DHVVUQCZHIXTPQ-ATRFCDNQSA-N -1 0 172.249 1.460 10 0 ADAERM O=C([O-])CCC[C@@H](O)C1=CCCC1 238700775 572390200 /nfs/dbraw/zinc/39/02/00/572390200.db2.gz QUQZRWRIRZHBKG-SECBINFHSA-N -1 0 184.235 1.713 10 0 ADAERM COCSc1ccc(C(=O)[O-])cn1 83748453 572390623 /nfs/dbraw/zinc/39/06/23/572390623.db2.gz VHRLMAYFZKFKHP-UHFFFAOYSA-N -1 0 199.231 1.476 10 0 ADAERM CCOCOc1cccnc1C(=O)[O-] 83755902 572390731 /nfs/dbraw/zinc/39/07/31/572390731.db2.gz QVCOAPQGDOGFMB-UHFFFAOYSA-N -1 0 197.190 1.153 10 0 ADAERM CCOCOc1cncc(C(=O)[O-])c1 83755907 572390805 /nfs/dbraw/zinc/39/08/05/572390805.db2.gz JJHUHKACIMZUNC-UHFFFAOYSA-N -1 0 197.190 1.153 10 0 ADAERM CCOCn1nc(C)c(C(=O)[O-])c1C 83756273 572390819 /nfs/dbraw/zinc/39/08/19/572390819.db2.gz HSLPPJVVUOJRCG-UHFFFAOYSA-N -1 0 198.222 1.192 10 0 ADAERM C[C@@H]1C[C@H](CCC(=O)[O-])CS1 76600526 572391465 /nfs/dbraw/zinc/39/14/65/572391465.db2.gz LIAPHSXTYBLVAH-RQJHMYQMSA-N -1 0 174.265 1.993 10 0 ADAERM CC[C@H](C)OC[C@@H](CC)C(=O)[O-] 308007940 572391495 /nfs/dbraw/zinc/39/14/95/572391495.db2.gz DYCMDADPUBGMRZ-JGVFFNPUSA-N -1 0 174.240 1.912 10 0 ADAERM CCC[C@H](CCOC)CC(=O)[O-] 238227245 572391581 /nfs/dbraw/zinc/39/15/81/572391581.db2.gz WAQLECUXBGTBDP-MRVPVSSYSA-N -1 0 174.240 1.914 10 0 ADAERM CC[C@@H](CO[C@H](C)CC)C(=O)[O-] 308007952 572391634 /nfs/dbraw/zinc/39/16/34/572391634.db2.gz DYCMDADPUBGMRZ-SFYZADRCSA-N -1 0 174.240 1.912 10 0 ADAERM C[C@H]1C[C@H](CCC(=O)[O-])CS1 76600528 572391834 /nfs/dbraw/zinc/39/18/34/572391834.db2.gz LIAPHSXTYBLVAH-BQBZGAKWSA-N -1 0 174.265 1.993 10 0 ADAERM CCCCOCC[C@@](C)(O)C(=O)[O-] 238228279 572391942 /nfs/dbraw/zinc/39/19/42/572391942.db2.gz DHFTZFGAJNZKQS-SECBINFHSA-N -1 0 190.239 1.029 10 0 ADAERM C[C@H]1C[C@@H](CCC(=O)[O-])CS1 76600533 572391973 /nfs/dbraw/zinc/39/19/73/572391973.db2.gz LIAPHSXTYBLVAH-NKWVEPMBSA-N -1 0 174.265 1.993 10 0 ADAERM CCCCC(=O)[C@@H]1OC=C[C@H]1C(=O)[O-] 238227566 572392026 /nfs/dbraw/zinc/39/20/26/572392026.db2.gz QVEUAPYGOMTXGP-VXNVDRBHSA-N -1 0 198.218 1.359 10 0 ADAERM CCCCC(=O)[C@@H]1OC=C[C@@H]1C(=O)[O-] 238227557 572392236 /nfs/dbraw/zinc/39/22/36/572392236.db2.gz QVEUAPYGOMTXGP-IONNQARKSA-N -1 0 198.218 1.359 10 0 ADAERM C[C@@H]1C[C@@H](CCC(=O)[O-])CS1 76600530 572392251 /nfs/dbraw/zinc/39/22/51/572392251.db2.gz LIAPHSXTYBLVAH-RNFRBKRXSA-N -1 0 174.265 1.993 10 0 ADAERM COCSc1ccc(C(=O)[O-])o1 83748454 572392401 /nfs/dbraw/zinc/39/24/01/572392401.db2.gz VEGHOPXPTWTXPJ-UHFFFAOYSA-N -1 0 188.204 1.674 10 0 ADAERM CC(=O)S[C@@H](CC(=O)[O-])C(C)C 238227024 572392563 /nfs/dbraw/zinc/39/25/63/572392563.db2.gz YBCYELSXMQWZSR-ZETCQYMHSA-N -1 0 190.264 1.765 10 0 ADAERM CC(=O)[C@@H](C)[C@@H](CC(=O)[O-])C(C)C 238227111 572392603 /nfs/dbraw/zinc/39/26/03/572392603.db2.gz ZHSAQTMUNFMMKM-APPZFPTMSA-N -1 0 186.251 1.958 10 0 ADAERM CC(C)C[C@H](Cn1cnnc1)C(=O)[O-] 87188695 572393964 /nfs/dbraw/zinc/39/39/64/572393964.db2.gz DVPNZQZPELFOLP-MRVPVSSYSA-N -1 0 197.238 1.025 10 0 ADAERM CC(C)C[C@@H](Cn1cnnc1)C(=O)[O-] 87188693 572392781 /nfs/dbraw/zinc/39/27/81/572392781.db2.gz DVPNZQZPELFOLP-QMMMGPOBSA-N -1 0 197.238 1.025 10 0 ADAERM CCn1cc(C(=O)[O-])nc1Cl 76600593 572392922 /nfs/dbraw/zinc/39/29/22/572392922.db2.gz AEPKFOSOFSDBCL-UHFFFAOYSA-N -1 0 174.587 1.255 10 0 ADAERM CCC[C@H](CCO)CCC(=O)[O-] 238226958 572392936 /nfs/dbraw/zinc/39/29/36/572392936.db2.gz XPLAGWOZVKNTDC-QMMMGPOBSA-N -1 0 174.240 1.650 10 0 ADAERM C/C=C/C[C@H](C)[C@@H](O)[C@H](C)C(=O)[O-] 308008135 572393127 /nfs/dbraw/zinc/39/31/27/572393127.db2.gz DSVOANYISZPASD-VSXNJVAHSA-N -1 0 186.251 1.670 10 0 ADAERM C/C=C/C[C@H](C)[C@H](O)[C@H](C)C(=O)[O-] 308008134 572393294 /nfs/dbraw/zinc/39/32/94/572393294.db2.gz DSVOANYISZPASD-NNOMOCGJSA-N -1 0 186.251 1.670 10 0 ADAERM CC[C@@H](C)OC[C@@H](CC)C(=O)[O-] 308007926 572393864 /nfs/dbraw/zinc/39/38/64/572393864.db2.gz DYCMDADPUBGMRZ-HTQZYQBOSA-N -1 0 174.240 1.912 10 0 ADAERM CC(=O)[C@H](C)[C@@H](CC(=O)[O-])C(C)C 238227050 572393942 /nfs/dbraw/zinc/39/39/42/572393942.db2.gz ZHSAQTMUNFMMKM-CBAPKCEASA-N -1 0 186.251 1.958 10 0 ADAERM C=C/C=C\c1ccc(C(=O)[O-])nc1 308006672 572394127 /nfs/dbraw/zinc/39/41/27/572394127.db2.gz CCFSOLBKWOTVQR-ARJAWSKDSA-N -1 0 175.187 1.979 10 0 ADAERM CC[C@H](C)OC[C@H](CC)C(=O)[O-] 308007963 572394320 /nfs/dbraw/zinc/39/43/20/572394320.db2.gz DYCMDADPUBGMRZ-YUMQZZPRSA-N -1 0 174.240 1.912 10 0 ADAERM C[C@@H]1C[C@]1(C(=O)[O-])c1ccccn1 76601905 572394434 /nfs/dbraw/zinc/39/44/34/572394434.db2.gz BZAKSKGTIHYXOL-GMSGAONNSA-N -1 0 177.203 1.444 10 0 ADAERM CCCCC(=O)[C@H]1OC=C[C@H]1C(=O)[O-] 238228988 572394508 /nfs/dbraw/zinc/39/45/08/572394508.db2.gz QVEUAPYGOMTXGP-APPZFPTMSA-N -1 0 198.218 1.359 10 0 ADAERM Cc1cc2ccc(C(=O)[O-])cn2n1 76601234 572394571 /nfs/dbraw/zinc/39/45/71/572394571.db2.gz ZHDSGAPBGSECGS-UHFFFAOYSA-N -1 0 176.175 1.341 10 0 ADAERM C[C@H]1[C@H](c2cccnc2)[C@@H]1C(=O)[O-] 76601883 572395023 /nfs/dbraw/zinc/39/50/23/572395023.db2.gz WLTMUCQBOWIGOB-NBEYISGCSA-N -1 0 177.203 1.516 10 0 ADAERM C[C@H]1C[C@]1(C(=O)[O-])c1ccccn1 76601909 572395517 /nfs/dbraw/zinc/39/55/17/572395517.db2.gz BZAKSKGTIHYXOL-OIBJUYFYSA-N -1 0 177.203 1.444 10 0 ADAERM C[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1cccnc1 76601892 572395725 /nfs/dbraw/zinc/39/57/25/572395725.db2.gz WLTMUCQBOWIGOB-CNUIFLNQSA-N -1 0 177.203 1.516 10 0 ADAERM CCC(CC)[S@@](=O)CCC(=O)[O-] 87171441 572395909 /nfs/dbraw/zinc/39/59/09/572395909.db2.gz IZXXJEORIRBTBC-GFCCVEGCSA-N -1 0 192.280 1.398 10 0 ADAERM Cc1cc2cccc(C(=O)[O-])n2n1 76601230 572396754 /nfs/dbraw/zinc/39/67/54/572396754.db2.gz XDXFOZGRTLHVHL-UHFFFAOYSA-N -1 0 176.175 1.341 10 0 ADAERM CCCCNC(=O)NC(=O)OCC 238229655 572396786 /nfs/dbraw/zinc/39/67/86/572396786.db2.gz AVWNUENAOYVNHI-UHFFFAOYSA-N -1 0 188.227 1.242 10 0 ADAERM CC(=O)OCC[C@H](C(=O)[O-])C(C)C 238229708 572396871 /nfs/dbraw/zinc/39/68/71/572396871.db2.gz IOGMKTQKEJMJCE-QMMMGPOBSA-N -1 0 188.223 1.296 10 0 ADAERM C[C@H]1[C@H](c2ccncc2)[C@@H]1C(=O)[O-] 76601863 572396877 /nfs/dbraw/zinc/39/68/77/572396877.db2.gz VWAONYKTGLJREA-NBEYISGCSA-N -1 0 177.203 1.516 10 0 ADAERM C[C@H]1[C@H](c2ccccn2)[C@@H]1C(=O)[O-] 76601873 572396959 /nfs/dbraw/zinc/39/69/59/572396959.db2.gz PHFLYAPDVOGIAL-NBEYISGCSA-N -1 0 177.203 1.516 10 0 ADAERM C[C@@H]1C[C@@]1(C(=O)[O-])c1ccccn1 76601916 572397037 /nfs/dbraw/zinc/39/70/37/572397037.db2.gz BZAKSKGTIHYXOL-XCBNKYQSSA-N -1 0 177.203 1.444 10 0 ADAERM C[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccncc1 76601868 572397257 /nfs/dbraw/zinc/39/72/57/572397257.db2.gz VWAONYKTGLJREA-CNUIFLNQSA-N -1 0 177.203 1.516 10 0 ADAERM C[C@H]1C[C@@]1(C(=O)[O-])c1ccccn1 76601919 572397327 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ADAERM CC1([C@H](Cc2cc[nH]n2)C(=O)[O-])CC1 74246668 572479931 /nfs/dbraw/zinc/47/99/31/572479931.db2.gz LTBBNCVNECBMCV-MRVPVSSYSA-N -1 0 194.234 1.453 10 0 ADAERM CC(C)c1nc(C2(C(=O)[O-])CC2)c[nH]1 74246660 572480079 /nfs/dbraw/zinc/48/00/79/572480079.db2.gz UJWOMLNVKBSLKI-UHFFFAOYSA-N -1 0 194.234 1.649 10 0 ADAERM O=C([O-])CC1(CCc2cc[nH]n2)CC1 74246666 572480139 /nfs/dbraw/zinc/48/01/39/572480139.db2.gz HMXBCSCJEXIYSA-UHFFFAOYSA-N -1 0 194.234 1.597 10 0 ADAERM O=C([O-])CCCc1[nH]nc2c1CCC2 74246727 572480154 /nfs/dbraw/zinc/48/01/54/572480154.db2.gz QBYAHOQZOMPUTN-UHFFFAOYSA-N -1 0 194.234 1.306 10 0 ADAERM Cc1nc(C(=O)[O-])cnc1C(C)(C)C 74246823 572480200 /nfs/dbraw/zinc/48/02/00/572480200.db2.gz CQRZZBGGTCCMPV-UHFFFAOYSA-N -1 0 194.234 1.781 10 0 ADAERM CCc1nc2c(C(=O)[O-])cccc2[nH]1 62136956 572480250 /nfs/dbraw/zinc/48/02/50/572480250.db2.gz ZZHWMYOCSARUPX-UHFFFAOYSA-N -1 0 190.202 1.824 10 0 ADAERM Cc1c([C@H](C(=O)[O-])C2CC2)cnn1C 74246661 572480288 /nfs/dbraw/zinc/48/02/88/572480288.db2.gz MODLYJJMZIAAPB-SECBINFHSA-N -1 0 194.234 1.307 10 0 ADAERM CCc1n[nH]c2c1CCC[C@H]2C(=O)[O-] 74246743 572480346 /nfs/dbraw/zinc/48/03/46/572480346.db2.gz NCWGFJRVUWIQCK-SSDOTTSWSA-N -1 0 194.234 1.477 10 0 ADAERM CCCn1c(C(=O)[O-])nc2c1CCC2 74246780 572480384 /nfs/dbraw/zinc/48/03/84/572480384.db2.gz CARUPBISYZSTKP-UHFFFAOYSA-N -1 0 194.234 1.480 10 0 ADAERM CO[C@@H]1CCC[C@](C)(C(=O)[O-])C1 141408193 572480515 /nfs/dbraw/zinc/48/05/15/572480515.db2.gz CPNSKJMLYUIYOV-APPZFPTMSA-N -1 0 172.224 1.666 10 0 ADAERM CCc1nc(C(=O)[O-])cnc1C(C)C 74246824 572480605 /nfs/dbraw/zinc/48/06/05/572480605.db2.gz BWWHNXBKLZBTKG-UHFFFAOYSA-N -1 0 194.234 1.861 10 0 ADAERM C[C@H](C(=O)[O-])C1(c2cnn(C)c2)CC1 74246634 572480615 /nfs/dbraw/zinc/48/06/15/572480615.db2.gz BAGUHRLBQBROLB-SSDOTTSWSA-N -1 0 194.234 1.172 10 0 ADAERM O=C([O-])CCc1cc(C2CCC2)n[nH]1 74246630 572480619 /nfs/dbraw/zinc/48/06/19/572480619.db2.gz LIMOXCVBPLJQCP-UHFFFAOYSA-N -1 0 194.234 1.694 10 0 ADAERM CCc1n[nH]c2c1C[C@H](C(=O)[O-])CC2 74246742 572480660 /nfs/dbraw/zinc/48/06/60/572480660.db2.gz JDKLRABXBQOCKF-ZCFIWIBFSA-N -1 0 194.234 1.162 10 0 ADAERM Cc1cc([C@H](C(=O)[O-])C2CC2)n(C)n1 74246663 572481313 /nfs/dbraw/zinc/48/13/13/572481313.db2.gz XJYMJJNHOZYYBD-SECBINFHSA-N -1 0 194.234 1.307 10 0 ADAERM Cc1cc([C@@H](C(=O)[O-])C2CC2)n(C)n1 74246664 572480912 /nfs/dbraw/zinc/48/09/12/572480912.db2.gz XJYMJJNHOZYYBD-VIFPVBQESA-N -1 0 194.234 1.307 10 0 ADAERM CC[C@@H](C)CC[C@@H](CO)C(=O)[O-] 238263282 572480929 /nfs/dbraw/zinc/48/09/29/572480929.db2.gz RAUDTUMHTUIGOL-SFYZADRCSA-N -1 0 174.240 1.506 10 0 ADAERM CC(C)c1n[nH]c2c1CC[C@H]2C(=O)[O-] 74246737 572480989 /nfs/dbraw/zinc/48/09/89/572480989.db2.gz MDKUUJXAHUSLHK-SSDOTTSWSA-N -1 0 194.234 1.648 10 0 ADAERM COC[C@H](C)Cc1nc(C(=O)[O-])co1 87438501 572481011 /nfs/dbraw/zinc/48/10/11/572481011.db2.gz IXDSUYAZHRSJNW-ZCFIWIBFSA-N -1 0 199.206 1.198 10 0 ADAERM CC(C)(C(=O)[O-])n1cnc2c1CCC2 74246766 572481349 /nfs/dbraw/zinc/48/13/49/572481349.db2.gz ZPNRCWOVKZWWJO-UHFFFAOYSA-N -1 0 194.234 1.192 10 0 ADAERM CCOCCCc1ocnc1C(=O)[O-] 87438312 572481131 /nfs/dbraw/zinc/48/11/31/572481131.db2.gz UBNKQZMJUIWKRP-UHFFFAOYSA-N -1 0 199.206 1.342 10 0 ADAERM C[C@@H]1CCc2ncn(CC(=O)[O-])c2C1 74246764 572481179 /nfs/dbraw/zinc/48/11/79/572481179.db2.gz KJLJIOOQQRMWPC-SSDOTTSWSA-N -1 0 194.234 1.093 10 0 ADAERM C[C@H]1CCc2ncn(CC(=O)[O-])c2C1 74246765 572481275 /nfs/dbraw/zinc/48/12/75/572481275.db2.gz KJLJIOOQQRMWPC-ZETCQYMHSA-N -1 0 194.234 1.093 10 0 ADAERM CCc1n[nH]c2c1CCC[C@@H]2C(=O)[O-] 74246744 572481303 /nfs/dbraw/zinc/48/13/03/572481303.db2.gz NCWGFJRVUWIQCK-ZETCQYMHSA-N -1 0 194.234 1.477 10 0 ADAERM O=C([O-])CC1(CCc2cn[nH]c2)CC1 74246665 572481310 /nfs/dbraw/zinc/48/13/10/572481310.db2.gz MLSQBVCRGVLZSJ-UHFFFAOYSA-N -1 0 194.234 1.597 10 0 ADAERM CCCc1cc(O)ccc1CC(=O)[O-] 74246846 572481558 /nfs/dbraw/zinc/48/15/58/572481558.db2.gz UJMGYPQADQKSCM-UHFFFAOYSA-N -1 0 194.230 1.972 10 0 ADAERM CCC[C@H](CC(=O)[O-])OC(C)=O 238263579 572481676 /nfs/dbraw/zinc/48/16/76/572481676.db2.gz QRVSDQUIEVFBDN-SSDOTTSWSA-N -1 0 174.196 1.193 10 0 ADAERM COC[C@@H](C)Cc1nc(C(=O)[O-])co1 87438499 572482086 /nfs/dbraw/zinc/48/20/86/572482086.db2.gz IXDSUYAZHRSJNW-LURJTMIESA-N -1 0 199.206 1.198 10 0 ADAERM CC(C)c1nc2c([nH]1)CC[C@@H]2C(=O)[O-] 74246682 572482173 /nfs/dbraw/zinc/48/21/73/572482173.db2.gz IZIQPLGYGOTEPL-LURJTMIESA-N -1 0 194.234 1.648 10 0 ADAERM CCCc1c(O)cccc1CC(=O)[O-] 74246844 572482220 /nfs/dbraw/zinc/48/22/20/572482220.db2.gz VUGSOZFZCKTANQ-UHFFFAOYSA-N -1 0 194.230 1.972 10 0 ADAERM CCc1ncc(C(=O)[O-])nc1C(C)C 74246822 572482274 /nfs/dbraw/zinc/48/22/74/572482274.db2.gz UYDZSTMFNSSEKU-UHFFFAOYSA-N -1 0 194.234 1.861 10 0 ADAERM CCOCCCc1nc(C(=O)[O-])co1 87438507 572482281 /nfs/dbraw/zinc/48/22/81/572482281.db2.gz MAABSIVGMIZWKX-UHFFFAOYSA-N -1 0 199.206 1.342 10 0 ADAERM O=C([O-])CCCc1cc(C2CC2)n[nH]1 74246747 572482314 /nfs/dbraw/zinc/48/23/14/572482314.db2.gz TVKDLZNWURFIKP-UHFFFAOYSA-N -1 0 194.234 1.694 10 0 ADAERM CCOCCCCC[C@@H](O)C(=O)[O-] 238264146 572482320 /nfs/dbraw/zinc/48/23/20/572482320.db2.gz YUFSQGKXCGRDFU-MRVPVSSYSA-N -1 0 190.239 1.029 10 0 ADAERM Cc1c([C@@H](C(=O)[O-])C2CC2)cnn1C 74246662 572482382 /nfs/dbraw/zinc/48/23/82/572482382.db2.gz MODLYJJMZIAAPB-VIFPVBQESA-N -1 0 194.234 1.307 10 0 ADAERM CC1([C@@H](Cc2cn[nH]c2)C(=O)[O-])CC1 74246669 572482384 /nfs/dbraw/zinc/48/23/84/572482384.db2.gz WURHGWCAGWJYFZ-QMMMGPOBSA-N -1 0 194.234 1.453 10 0 ADAERM CC[C@@H](CCCCC(N)=O)C(=O)[O-] 238261473 572482459 /nfs/dbraw/zinc/48/24/59/572482459.db2.gz APGIDJNJPPGVNB-ZETCQYMHSA-N -1 0 187.239 1.143 10 0 ADAERM CC(C)c1[nH]oc(=O)c1CCC(=O)[O-] 250575180 572482461 /nfs/dbraw/zinc/48/24/61/572482461.db2.gz NWMCHRDMWUIPIQ-UHFFFAOYSA-N -1 0 199.206 1.521 10 0 ADAERM CCc1cc(CCC(=O)[O-])nc(C)n1 74246632 572482471 /nfs/dbraw/zinc/48/24/71/572482471.db2.gz BXCLWQHXQLYFSZ-UHFFFAOYSA-N -1 0 194.234 1.365 10 0 ADAERM CCc1nc2c(n1C)[C@@H](C(=O)[O-])CC2 74246681 572482485 /nfs/dbraw/zinc/48/24/85/572482485.db2.gz UWHQEJIAYPHANI-LURJTMIESA-N -1 0 194.234 1.097 10 0 ADAERM COc1cc(C)cc(CO)c1[S-] 141301909 572482594 /nfs/dbraw/zinc/48/25/94/572482594.db2.gz QSJQCIBRWOSGTI-UHFFFAOYSA-N -1 0 184.260 1.785 10 0 ADAERM COc1cc(F)cc(C)c1C(=O)[O-] 141353144 572482776 /nfs/dbraw/zinc/48/27/76/572482776.db2.gz ODMBJNSTIMKWRC-UHFFFAOYSA-N -1 0 184.166 1.841 10 0 ADAERM Cc1ncc(CCCC(=O)[O-])nc1C 74246658 572482969 /nfs/dbraw/zinc/48/29/69/572482969.db2.gz CVNSTTZQJQXQCF-UHFFFAOYSA-N -1 0 194.234 1.501 10 0 ADAERM CC(C)c1nc2c([nH]1)CC[C@H]2C(=O)[O-] 74246683 572482993 /nfs/dbraw/zinc/48/29/93/572482993.db2.gz IZIQPLGYGOTEPL-ZCFIWIBFSA-N -1 0 194.234 1.648 10 0 ADAERM CC(C)c1[nH]oc(=O)c1CC(=O)[O-] 250569438 572483006 /nfs/dbraw/zinc/48/30/06/572483006.db2.gz HLKHVNKCMDEKPG-UHFFFAOYSA-N -1 0 185.179 1.131 10 0 ADAERM CCOCCCCCC(=O)C(=O)[O-] 238264068 572483112 /nfs/dbraw/zinc/48/31/12/572483112.db2.gz OABQMTZARAWIQL-UHFFFAOYSA-N -1 0 188.223 1.237 10 0 ADAERM CC1([C@@H](Cc2cc[nH]n2)C(=O)[O-])CC1 74246667 572483143 /nfs/dbraw/zinc/48/31/43/572483143.db2.gz LTBBNCVNECBMCV-QMMMGPOBSA-N -1 0 194.234 1.453 10 0 ADAERM C=COC(=O)CC/C=C/C(=O)[O-] 114464541 572483255 /nfs/dbraw/zinc/48/32/55/572483255.db2.gz WXJAICFUQLDZLF-HWKANZROSA-N -1 0 170.164 1.094 10 0 ADAERM CCC[C@H](CC(=O)[O-])C(=O)CC 238263484 572483403 /nfs/dbraw/zinc/48/34/03/572483403.db2.gz ZKEYVQDQBDDJCC-SSDOTTSWSA-N -1 0 172.224 1.857 10 0 ADAERM COC[C@H](C)Cc1ocnc1C(=O)[O-] 87438309 572483467 /nfs/dbraw/zinc/48/34/67/572483467.db2.gz QFRHNZPVBXQUQQ-ZCFIWIBFSA-N -1 0 199.206 1.198 10 0 ADAERM O=C([O-])CCc1cc(CC2CC2)n[nH]1 74246748 572483663 /nfs/dbraw/zinc/48/36/63/572483663.db2.gz SZZIINPUBGEXSB-UHFFFAOYSA-N -1 0 194.234 1.379 10 0 ADAERM CCC[C@H](C(=O)[O-])[C@H](CC)OC 238264137 572483697 /nfs/dbraw/zinc/48/36/97/572483697.db2.gz QYBVFNRNMDFBTB-YUMQZZPRSA-N -1 0 174.240 1.912 10 0 ADAERM O=Cc1nn(C2CCCCC2)cc1[O-] 74246770 572483716 /nfs/dbraw/zinc/48/37/16/572483716.db2.gz KZIZLDKTCCHWLD-UHFFFAOYSA-N -1 0 194.234 1.906 10 0 ADAERM CC(C)c1n[nH]c2c1CC[C@@H]2C(=O)[O-] 74246738 572483724 /nfs/dbraw/zinc/48/37/24/572483724.db2.gz MDKUUJXAHUSLHK-ZETCQYMHSA-N -1 0 194.234 1.648 10 0 ADAERM CCC[C@H](C(=O)[O-])[C@@H](C)OC 238263815 572483737 /nfs/dbraw/zinc/48/37/37/572483737.db2.gz KMTIASJNTOIALD-RQJHMYQMSA-N -1 0 160.213 1.522 10 0 ADAERM CCC[C@H](C(=O)[O-])[C@H](C)OC 238264107 572483780 /nfs/dbraw/zinc/48/37/80/572483780.db2.gz KMTIASJNTOIALD-BQBZGAKWSA-N -1 0 160.213 1.522 10 0 ADAERM COC[C@@H](C)Cc1ocnc1C(=O)[O-] 87438307 572483824 /nfs/dbraw/zinc/48/38/24/572483824.db2.gz QFRHNZPVBXQUQQ-LURJTMIESA-N -1 0 199.206 1.198 10 0 ADAERM CCC[C@H](C(=O)[O-])[C@@H](CC)OC 238263845 572483844 /nfs/dbraw/zinc/48/38/44/572483844.db2.gz QYBVFNRNMDFBTB-JGVFFNPUSA-N -1 0 174.240 1.912 10 0 ADAERM CC(C)O[C@H](C)[C@H](C)C(=O)[O-] 141497401 572485694 /nfs/dbraw/zinc/48/56/94/572485694.db2.gz ZDHRPJOFZWGNOG-NKWVEPMBSA-N -1 0 160.213 1.521 10 0 ADAERM CCC[C@H](CC(=O)[O-])SC(C)=O 238263607 572483953 /nfs/dbraw/zinc/48/39/53/572483953.db2.gz BYWGZWBCENYZGN-SSDOTTSWSA-N -1 0 190.264 1.910 10 0 ADAERM CC(=O)CC/C=C(/C)C(=O)[O-] 141352361 572484363 /nfs/dbraw/zinc/48/43/63/572484363.db2.gz AIPOIGNUARAYDP-XQRVVYSFSA-N -1 0 156.181 1.387 10 0 ADAERM CCOc1cc(C(=O)[O-])ncc1CC 238261717 572484719 /nfs/dbraw/zinc/48/47/19/572484719.db2.gz GUJFVAWTCICIDE-UHFFFAOYSA-N -1 0 195.218 1.741 10 0 ADAERM O=Cc1nn(-c2cccs2)cc1[O-] 74246919 572484915 /nfs/dbraw/zinc/48/49/15/572484915.db2.gz NRNKTOWEQGCVLN-UHFFFAOYSA-N -1 0 194.215 1.452 10 0 ADAERM Cc1nsc2ccnc(C(=O)[O-])c12 74246904 572484951 /nfs/dbraw/zinc/48/49/51/572484951.db2.gz SRJZGBGBIHUBET-UHFFFAOYSA-N -1 0 194.215 1.698 10 0 ADAERM CC[C@@H](C)CC[C@H](CO)C(=O)[O-] 238263377 572485004 /nfs/dbraw/zinc/48/50/04/572485004.db2.gz RAUDTUMHTUIGOL-HTQZYQBOSA-N -1 0 174.240 1.506 10 0 ADAERM Cc1snc2ccnc(C(=O)[O-])c12 74246905 572485630 /nfs/dbraw/zinc/48/56/30/572485630.db2.gz 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/nfs/dbraw/zinc/03/13/46/574031346.db2.gz RGFMXIYXBZPPFD-UHFFFAOYSA-N -1 0 160.188 1.991 10 0 ADAERM CC(C)(CCF)C(=O)[O-] 87776498 574031491 /nfs/dbraw/zinc/03/14/91/574031491.db2.gz RFCPBGIHACKTAX-UHFFFAOYSA-N -1 0 134.150 1.457 10 0 ADAERM C[C@@H]1CCCCN1SC(=O)[N-]C#N 197917900 574035181 /nfs/dbraw/zinc/03/51/81/574035181.db2.gz XHZVLTYGBRHMBF-SSDOTTSWSA-N -1 0 199.279 1.700 10 0 ADAERM O=C([O-])C1(Cc2ccc[nH]2)CC1 259288503 574035486 /nfs/dbraw/zinc/03/54/86/574035486.db2.gz ZPOVGTYCOTVZTC-UHFFFAOYSA-N -1 0 165.192 1.422 10 0 ADAERM O=C([O-])c1ccc(N[C@@H]2CCOC2)o1 87787398 574036063 /nfs/dbraw/zinc/03/60/63/574036063.db2.gz OXEVLECOMUKBSL-ZCFIWIBFSA-N -1 0 197.190 1.179 10 0 ADAERM C[C@H]1CCCCN1SC(=O)[N-]C#N 197917908 574036067 /nfs/dbraw/zinc/03/60/67/574036067.db2.gz XHZVLTYGBRHMBF-ZETCQYMHSA-N -1 0 199.279 1.700 10 0 ADAERM CCCS[C@H]1C[C@H]1C(=O)[O-] 259290286 574036185 /nfs/dbraw/zinc/03/61/85/574036185.db2.gz STJWFNGCNWZZGW-RITPCOANSA-N -1 0 160.238 1.603 10 0 ADAERM C[C@H]1Cc2cc(F)cc(C(=O)[O-])c2N1 259287951 574036340 /nfs/dbraw/zinc/03/63/40/574036340.db2.gz CTIHKPKTBNMXPP-YFKPBYRVSA-N -1 0 195.193 1.880 10 0 ADAERM COC(C)(C)COCCCC(=O)[O-] 393610295 574037689 /nfs/dbraw/zinc/03/76/89/574037689.db2.gz BPEPDIRMKCRJSL-UHFFFAOYSA-N -1 0 190.239 1.293 10 0 ADAERM COc1cc(N)cc([S-])c1 87797237 574038036 /nfs/dbraw/zinc/03/80/36/574038036.db2.gz IEEQDZUXXRAAKC-UHFFFAOYSA-N -1 0 155.222 1.566 10 0 ADAERM CCCC1(C2(C(=O)[O-])CC2)COC1 258468017 574038144 /nfs/dbraw/zinc/03/81/44/574038144.db2.gz AAQKRLQLBGFWJN-UHFFFAOYSA-N -1 0 184.235 1.668 10 0 ADAERM O=C([O-])c1ccnnc1NC1CCC1 259435045 574040134 /nfs/dbraw/zinc/04/01/34/574040134.db2.gz KPGXJQMYHFELMQ-UHFFFAOYSA-N -1 0 193.206 1.139 10 0 ADAERM CC(C)N1C(=O)C[C@@H](C(=O)[O-])C1(C)C 259292804 574040056 /nfs/dbraw/zinc/04/00/56/574040056.db2.gz PCQPFWXDADCHSF-ZETCQYMHSA-N -1 0 199.250 1.107 10 0 ADAERM Cc1ccccc1CC(=O)C(=O)[O-] 259434856 574040299 /nfs/dbraw/zinc/04/02/99/574040299.db2.gz 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/nfs/dbraw/zinc/04/53/94/574045394.db2.gz UGUMHBYLVRIMRI-UHFFFAOYSA-N -1 0 176.175 1.121 10 0 ADAERM CCCNc1nc(Cl)[n-]c(=O)n1 87841819 574045398 /nfs/dbraw/zinc/04/53/98/574045398.db2.gz ZHNGSDOFVATLII-UHFFFAOYSA-N -1 0 188.618 1.053 10 0 ADAERM CC(C)Cc1cc(=O)[n-]o1 113137300 574045438 /nfs/dbraw/zinc/04/54/38/574045438.db2.gz GKRIFEXGXVBLEA-UHFFFAOYSA-N -1 0 141.170 1.166 10 0 ADAERM CC(C)(C(=O)[O-])c1ccc(F)nc1 113153630 574045756 /nfs/dbraw/zinc/04/57/56/574045756.db2.gz YFKSALDKAKYJCU-UHFFFAOYSA-N -1 0 183.182 1.583 10 0 ADAERM C/C=C/[C@H]1[C@@H](C(=O)[O-])C1(C)C 113153842 574045836 /nfs/dbraw/zinc/04/58/36/574045836.db2.gz TWVXKMAAHORTPL-UGLWGPHMSA-N -1 0 154.209 1.919 10 0 ADAERM C[C@H](O)Oc1ccc(C(=O)[O-])cc1 113069014 574046023 /nfs/dbraw/zinc/04/60/23/574046023.db2.gz HDIYKUYATBQCIR-ZCFIWIBFSA-N -1 0 182.175 1.102 10 0 ADAERM COC(C)(C)Cn1cc(C(=O)[O-])cn1 393613754 574046577 /nfs/dbraw/zinc/04/65/77/574046577.db2.gz HMJGMPKOTSGHMQ-UHFFFAOYSA-N -1 0 198.222 1.006 10 0 ADAERM C[C@@H](O)Oc1ccc(C(=O)[O-])cc1 113069012 574046595 /nfs/dbraw/zinc/04/65/95/574046595.db2.gz HDIYKUYATBQCIR-LURJTMIESA-N -1 0 182.175 1.102 10 0 ADAERM CCc1cccnc1[C@H](C)C(=O)[O-] 259298940 574046635 /nfs/dbraw/zinc/04/66/35/574046635.db2.gz NBNCDVSTURAWAF-ZETCQYMHSA-N -1 0 179.219 1.832 10 0 ADAERM CCCCNc1cccnc1C(=O)[O-] 131835701 574046724 /nfs/dbraw/zinc/04/67/24/574046724.db2.gz QKKASGZEARMZPO-UHFFFAOYSA-N -1 0 194.234 1.992 10 0 ADAERM O=C([O-])c1ccccc1N1CC=CC1 113215311 574047042 /nfs/dbraw/zinc/04/70/42/574047042.db2.gz WUMKTAAIFGTFCF-UHFFFAOYSA-N -1 0 189.214 1.761 10 0 ADAERM O=C([O-])c1cncc(N2CC=CC2)c1 113215570 574047194 /nfs/dbraw/zinc/04/71/94/574047194.db2.gz XZLLLIIAKHEQHD-UHFFFAOYSA-N -1 0 190.202 1.156 10 0 ADAERM CCCCCC(=O)CC(=O)[O-] 5820094 574412589 /nfs/dbraw/zinc/41/25/89/574412589.db2.gz FWNRRWJFOZIGQZ-UHFFFAOYSA-N -1 0 158.197 1.611 10 0 endogenous,in-man ADAERM CC12[C@H]3CC(C[C@H]31)[C@]2(C)C(=O)[O-] 33833974 574414123 /nfs/dbraw/zinc/41/41/23/574414123.db2.gz 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/nfs/dbraw/zinc/24/13/99/168241399.db2.gz WQLSDJWHTXMHQX-UHFFFAOYSA-N -1 0 192.174 1.270 10 0 ADAERM COc1cc2c(cc1[S-])C(=O)NC2 89211386 168241586 /nfs/dbraw/zinc/24/15/86/168241586.db2.gz YVFMOCUVCDRSKO-UHFFFAOYSA-N -1 0 195.243 1.227 10 0 ADAERM COc1cc2nccn2cc1C(=O)[O-] 89202411 168242701 /nfs/dbraw/zinc/24/27/01/168242701.db2.gz HDPPEFQRCAWEHV-UHFFFAOYSA-N -1 0 192.174 1.041 10 0 ADAERM COc1ccc(/C=C(\C)C(=O)[O-])cn1 44222575 168243206 /nfs/dbraw/zinc/24/32/06/168243206.db2.gz PWOJWAGLKDKNGE-FNORWQNLSA-N -1 0 193.202 1.578 10 0 ADAERM COc1ccc(/C=C\C(=O)[O-])c(O)c1 11957070 168243668 /nfs/dbraw/zinc/24/36/68/168243668.db2.gz IKNVEOZIOFMENG-HYXAFXHYSA-N -1 0 194.186 1.499 10 0 ADAERM COc1ccc(C(=O)C(=O)[O-])cc1C 37289377 168244008 /nfs/dbraw/zinc/24/40/08/168244008.db2.gz VUDSNYBYYBODRY-UHFFFAOYSA-N -1 0 194.186 1.271 10 0 ADAERM COc1ccc(/C=C\C(=O)[O-])cc1N 57883035 168244177 /nfs/dbraw/zinc/24/41/77/168244177.db2.gz XCTVDUGJHAXXOH-HYXAFXHYSA-N -1 0 193.202 1.375 10 0 ADAERM 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195.218 1.500 10 0 ADAERM COc1ccc(C)cc1[C@H](O)C(=O)[O-] 41207242 168246885 /nfs/dbraw/zinc/24/68/85/168246885.db2.gz KYGFEGVSCJQFPD-VIFPVBQESA-N -1 0 196.202 1.122 10 0 ADAERM COc1ccc(C)cc1C(=O)C(=O)[O-] 36823791 168247806 /nfs/dbraw/zinc/24/78/06/168247806.db2.gz FRPNOANKWHGSNL-UHFFFAOYSA-N -1 0 194.186 1.271 10 0 ADAERM COc1ccc(C)cc1[C@@H](O)C(=O)[O-] 41207243 168248420 /nfs/dbraw/zinc/24/84/20/168248420.db2.gz KYGFEGVSCJQFPD-SECBINFHSA-N -1 0 196.202 1.122 10 0 ADAERM COc1ccc(CC(=O)[O-])c(C)c1C 36200509 168248624 /nfs/dbraw/zinc/24/86/24/168248624.db2.gz CSQCDTYUBKBCRD-UHFFFAOYSA-N -1 0 194.230 1.939 10 0 ADAERM COc1ccc(CC(=O)[O-])c(O)c1 3198419 168248735 /nfs/dbraw/zinc/24/87/35/168248735.db2.gz CWNLRSITUPUOOL-UHFFFAOYSA-N -1 0 182.175 1.028 10 0 biogenic,in-vitro ADAERM COc1ccc(CC(=O)[O-])c(C)n1 44376172 168250011 /nfs/dbraw/zinc/25/00/11/168250011.db2.gz RYYPQKVWBRRIAJ-UHFFFAOYSA-N -1 0 181.191 1.026 10 0 ADAERM COc1ccc(F)c(C(=O)C(=O)[O-])c1 75865781 168252456 /nfs/dbraw/zinc/25/24/56/168252456.db2.gz TXXGVUOVNOWLFP-UHFFFAOYSA-N -1 0 198.149 1.102 10 0 ADAERM COc1ccc(F)c(CCC(=O)[O-])c1 75902135 168252978 /nfs/dbraw/zinc/25/29/78/168252978.db2.gz BXLWBMRVVVKUNI-UHFFFAOYSA-N -1 0 198.193 1.852 10 0 ADAERM COc1ccc(N)cc1/C=C/C(=O)[O-] 83255029 168253875 /nfs/dbraw/zinc/25/38/75/168253875.db2.gz DPOPZFGNBMCKMH-GORDUTHDSA-N -1 0 193.202 1.375 10 0 ADAERM COc1ccc(N)c(/C=C/C(=O)[O-])c1 75581137 168254655 /nfs/dbraw/zinc/25/46/55/168254655.db2.gz WGEZRJJZUADGHJ-GORDUTHDSA-N -1 0 193.202 1.375 10 0 ADAERM COc1ccc(N)cc1CCC(=O)[O-] 33605694 168254893 /nfs/dbraw/zinc/25/48/93/168254893.db2.gz HIEOAHAMBZIBGC-UHFFFAOYSA-N -1 0 195.218 1.295 10 0 ADAERM COc1ccc(NCC(=O)[O-])cc1C 49530178 168255399 /nfs/dbraw/zinc/25/53/99/168255399.db2.gz NQDMUSBCAAAMIT-UHFFFAOYSA-N -1 0 195.218 1.500 10 0 ADAERM COc1ccc([C@@H](C)C(=O)[O-])c(O)c1 82908541 168255814 /nfs/dbraw/zinc/25/58/14/168255814.db2.gz DKPMXVGGVLMLID-ZCFIWIBFSA-N -1 0 196.202 1.589 10 0 ADAERM COc1ccc([S-])cc1O 39234733 168256224 /nfs/dbraw/zinc/25/62/24/168256224.db2.gz RGXXICXLFIIMIM-UHFFFAOYSA-N -1 0 156.206 1.690 10 0 ADAERM COc1ccc(OC)c([S-])c1N 82728873 168256230 /nfs/dbraw/zinc/25/62/30/168256230.db2.gz FWWLJAIMWWKLGB-UHFFFAOYSA-N -1 0 185.248 1.575 10 0 ADAERM COc1ccc([S-])c(O)c1 34159899 168256950 /nfs/dbraw/zinc/25/69/50/168256950.db2.gz PTKWENDYGQZVBT-UHFFFAOYSA-N -1 0 156.206 1.690 10 0 ADAERM COc1ccc([C@@H](O)CC(=O)[O-])cc1 41207239 168257131 /nfs/dbraw/zinc/25/71/31/168257131.db2.gz XMBIPIXMXHNYNB-VIFPVBQESA-N -1 0 196.202 1.203 10 0 ADAERM COc1ccc([C@@H](O)C(=O)[O-])cc1C 41207241 168257254 /nfs/dbraw/zinc/25/72/54/168257254.db2.gz BLBRYHKRZQEMMO-SECBINFHSA-N -1 0 196.202 1.122 10 0 ADAERM COc1ccc([C@H](O)CC(=O)[O-])cc1 41207238 168259413 /nfs/dbraw/zinc/25/94/13/168259413.db2.gz XMBIPIXMXHNYNB-SECBINFHSA-N -1 0 196.202 1.203 10 0 ADAERM COc1ccc([C@H](C)C(=O)[O-])c(O)c1 82908540 168259444 /nfs/dbraw/zinc/25/94/44/168259444.db2.gz DKPMXVGGVLMLID-LURJTMIESA-N -1 0 196.202 1.589 10 0 ADAERM COc1ccc([C@H](O)C(=O)[O-])cc1C 41207240 168259903 /nfs/dbraw/zinc/25/99/03/168259903.db2.gz BLBRYHKRZQEMMO-VIFPVBQESA-N -1 0 196.202 1.122 10 0 ADAERM COc1ccc2c(c1)C=C[C@H]2C(=O)[O-] 57936815 168261207 /nfs/dbraw/zinc/26/12/07/168261207.db2.gz GJJVOQRKKDNTDA-SNVBAGLBSA-N -1 0 190.198 1.890 10 0 ADAERM COc1ccc2c(c1)C[C@H](C(=O)[O-])N2 34876123 168261383 /nfs/dbraw/zinc/26/13/83/168261383.db2.gz CCZRDJIWJYSWCN-SECBINFHSA-N -1 0 193.202 1.116 10 0 ADAERM COc1ccc2scc([O-])c2c1 38856407 168261647 /nfs/dbraw/zinc/26/16/47/168261647.db2.gz GDQPSPPHWDKJPW-UHFFFAOYSA-N -1 0 180.228 1.984 10 0 ADAERM COc1ccc2c(c1)C=C[C@@H]2C(=O)[O-] 57936808 168261733 /nfs/dbraw/zinc/26/17/33/168261733.db2.gz GJJVOQRKKDNTDA-JTQLQIEISA-N -1 0 190.198 1.890 10 0 ADAERM COc1ccc2c(c1)C(C(=O)[O-])=CC2 41204943 168261774 /nfs/dbraw/zinc/26/17/74/168261774.db2.gz WYMDEQXYMISNHF-UHFFFAOYSA-N -1 0 190.198 1.719 10 0 ADAERM COc1ccc2c(c1)C[C@@H](C(=O)[O-])N2 34876125 168261831 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10 0 ADAERM COc1ccc2c(c1)NC[C@@H]2C(=O)[O-] 71486629 168263573 /nfs/dbraw/zinc/26/35/73/168263573.db2.gz STWRGZCEAJROQE-QMMMGPOBSA-N -1 0 193.202 1.289 10 0 ADAERM COc1ccc2c(c1)N[C@@H](C(=O)[O-])C2 71486488 168263580 /nfs/dbraw/zinc/26/35/80/168263580.db2.gz WBKXXOLFAUSGAG-SECBINFHSA-N -1 0 193.202 1.116 10 0 ADAERM COc1ccc2c(c1)[C@H](C(=O)[O-])CN2 71486618 168263654 /nfs/dbraw/zinc/26/36/54/168263654.db2.gz KRIGUAFNMYKLLI-MRVPVSSYSA-N -1 0 193.202 1.289 10 0 ADAERM COc1ccc2c([O-])csc2c1 38856409 168263752 /nfs/dbraw/zinc/26/37/52/168263752.db2.gz UXEJVCIWCVCHOZ-UHFFFAOYSA-N -1 0 180.228 1.984 10 0 ADAERM COc1ccc2c(c1)NC[C@H]2C(=O)[O-] 71486631 168264043 /nfs/dbraw/zinc/26/40/43/168264043.db2.gz STWRGZCEAJROQE-MRVPVSSYSA-N -1 0 193.202 1.289 10 0 ADAERM COc1ccc2[nH]ncc2c1C(=O)[O-] 89196424 168267147 /nfs/dbraw/zinc/26/71/47/168267147.db2.gz NLPPPJPZMQQXSZ-UHFFFAOYSA-N -1 0 192.174 1.270 10 0 ADAERM COc1cccc(CCC(=O)[O-])c1O 8019325 168268492 /nfs/dbraw/zinc/26/84/92/168268492.db2.gz UIZJAJLWHZFNRX-UHFFFAOYSA-N -1 0 196.202 1.418 10 0 ADAERM COc1cccc(C(=O)C(=O)[O-])c1F 75865783 168268506 /nfs/dbraw/zinc/26/85/06/168268506.db2.gz QEPUXWLJUXIACZ-UHFFFAOYSA-N -1 0 198.149 1.102 10 0 ADAERM COc1cccc(N)c1[S-] 39089257 168269073 /nfs/dbraw/zinc/26/90/73/168269073.db2.gz JZTPSUBPZYRBQY-UHFFFAOYSA-N -1 0 155.222 1.566 10 0 ADAERM COc1cccc(F)c1C(=O)C(=O)[O-] 75865784 168270067 /nfs/dbraw/zinc/27/00/67/168270067.db2.gz LCHZAAFGQWKWEV-UHFFFAOYSA-N -1 0 198.149 1.102 10 0 ADAERM COc1cccc([C@@H](O)CC(=O)[O-])c1 35784476 168270497 /nfs/dbraw/zinc/27/04/97/168270497.db2.gz IJHBKSOZRYYPAN-VIFPVBQESA-N -1 0 196.202 1.203 10 0 ADAERM COc1cccc(O)c1/C=C\C(=O)[O-] 83296089 168271557 /nfs/dbraw/zinc/27/15/57/168271557.db2.gz WBRWUZKQKYQPAM-WAYWQWQTSA-N -1 0 194.186 1.499 10 0 ADAERM Cc1ccncc1C[C@H](F)C(=O)[O-] 135498475 343964621 /nfs/dbraw/zinc/96/46/21/343964621.db2.gz MZIWZRFOWRJJFB-QMMMGPOBSA-N -1 0 183.182 1.355 10 0 ADAERM COc1cccc2[nH]c(C(=O)[O-])nc12 89195110 168272249 /nfs/dbraw/zinc/27/22/49/168272249.db2.gz HJKFFEVCUKBDDC-UHFFFAOYSA-N -1 0 192.174 1.270 10 0 ADAERM COc1cccc([C@H](O)CC(=O)[O-])c1 41207237 168272652 /nfs/dbraw/zinc/27/26/52/168272652.db2.gz IJHBKSOZRYYPAN-SECBINFHSA-N -1 0 196.202 1.203 10 0 ADAERM COc1cccc2c1NC[C@H]2C(=O)[O-] 71486655 168274477 /nfs/dbraw/zinc/27/44/77/168274477.db2.gz LDHGSUGTQURPGE-SSDOTTSWSA-N -1 0 193.202 1.289 10 0 ADAERM COc1cccc2c1NC[C@@H]2C(=O)[O-] 71486653 168274579 /nfs/dbraw/zinc/27/45/79/168274579.db2.gz LDHGSUGTQURPGE-ZETCQYMHSA-N -1 0 193.202 1.289 10 0 ADAERM COc1cccc2c1CC=C2C(=O)[O-] 41204944 168274815 /nfs/dbraw/zinc/27/48/15/168274815.db2.gz QHXWSQFQCVXLNJ-UHFFFAOYSA-N -1 0 190.198 1.719 10 0 ADAERM COc1cccc2c1[C@@H](C(=O)[O-])C=C2 57936825 168275113 /nfs/dbraw/zinc/27/51/13/168275113.db2.gz DOXXZGOMXIRWOS-QMMMGPOBSA-N -1 0 190.198 1.890 10 0 ADAERM COc1cccc2c1[C@@H](C(=O)[O-])CN2 71486633 168275796 /nfs/dbraw/zinc/27/57/96/168275796.db2.gz KMXLHXMNMWVYAB-LURJTMIESA-N -1 0 193.202 1.289 10 0 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1.093 10 0 ADAERM C[C@@H](O)CNc1ccccc1C(=O)[O-] 82710931 168396025 /nfs/dbraw/zinc/39/60/25/168396025.db2.gz GIZRIMSQXMABST-SSDOTTSWSA-N -1 0 195.218 1.178 10 0 ADAERM C[C@@H](O)CNc1ccc(C(=O)[O-])cc1 82710927 168396227 /nfs/dbraw/zinc/39/62/27/168396227.db2.gz HVWLWFFLWYFURZ-SSDOTTSWSA-N -1 0 195.218 1.178 10 0 ADAERM C[C@@H](O)CNc1cccc(C(=O)[O-])c1 82710929 168396489 /nfs/dbraw/zinc/39/64/89/168396489.db2.gz UOBGYJFJCQCHNV-SSDOTTSWSA-N -1 0 195.218 1.178 10 0 ADAERM C[C@@H](O)Cc1ccccc1C(=O)[O-] 58003518 168396917 /nfs/dbraw/zinc/39/69/17/168396917.db2.gz KKGAFUZHMYNDPJ-SSDOTTSWSA-N -1 0 180.203 1.308 10 0 ADAERM C[C@@H](O)[C@@H]1CC=C(C(=O)[O-])CC1 39117893 168397715 /nfs/dbraw/zinc/39/77/15/168397715.db2.gz LSKQNLMXXIHYEE-RNFRBKRXSA-N -1 0 170.208 1.178 10 0 ADAERM C[C@@H](O)Cc1ccc(C(=O)[O-])cc1 58003525 168397975 /nfs/dbraw/zinc/39/79/75/168397975.db2.gz NSCJIRYCAPFUSS-SSDOTTSWSA-N -1 0 180.203 1.308 10 0 ADAERM C[C@@H](O)[C@@H](C(=O)[O-])c1ccccc1 39189872 168398007 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C[C@]1(C(F)F)C[C@@H]1C(=O)[O-] 575534019 352573556 /nfs/dbraw/zinc/57/35/56/352573556.db2.gz MNXQTVZTEQQCRH-CVYQJGLWSA-N -1 0 150.124 1.362 10 0 ADAERM O=C([O-])/C=C/N[C@]12CCC[C@H]1C2 575534825 352576639 /nfs/dbraw/zinc/57/66/39/352576639.db2.gz YVIZMYLGRHRWEU-AUQQLDAUSA-N -1 0 167.208 1.117 10 0 ADAERM O=C([O-])/C=C/N[C@@]12CCC[C@@H]1C2 575534827 352576832 /nfs/dbraw/zinc/57/68/32/352576832.db2.gz YVIZMYLGRHRWEU-GHVFMDICSA-N -1 0 167.208 1.117 10 0 ADAERM Nc1c([S-])ccc2c1OCCC2 575535038 352578014 /nfs/dbraw/zinc/57/80/14/352578014.db2.gz OGTTVWIVJJKNEI-UHFFFAOYSA-N -1 0 181.260 1.883 10 0 ADAERM C[C@@H]1CC[C@@]2(CS1)C[C@H]2C(=O)[O-] 575535236 352578383 /nfs/dbraw/zinc/57/83/83/352578383.db2.gz DTPIUGFFBGGESE-FJXKBIBVSA-N -1 0 186.276 1.993 10 0 ADAERM C[C@@H]1CC/C(=C\C(=O)[O-])CS1 575535249 352578392 /nfs/dbraw/zinc/57/83/92/352578392.db2.gz FITDQPCTLJQFDT-LTYDNXFVSA-N -1 0 172.249 1.913 10 0 ADAERM C[C@@H]1CC/C(=C/C(=O)[O-])CS1 575535247 352578449 /nfs/dbraw/zinc/57/84/49/352578449.db2.gz FITDQPCTLJQFDT-CDXJMXTPSA-N -1 0 172.249 1.913 10 0 ADAERM C[C@H]1CC/C(=C\C(=O)[O-])CS1 575535250 352578494 /nfs/dbraw/zinc/57/84/94/352578494.db2.gz FITDQPCTLJQFDT-PDKRUMACSA-N -1 0 172.249 1.913 10 0 ADAERM C[C@@H]1CC[C@@]2(CS1)C[C@@H]2C(=O)[O-] 575535229 352578558 /nfs/dbraw/zinc/57/85/58/352578558.db2.gz DTPIUGFFBGGESE-BHNWBGBOSA-N -1 0 186.276 1.993 10 0 ADAERM C[C@H]1CC/C(=C/C(=O)[O-])CS1 575535245 352578570 /nfs/dbraw/zinc/57/85/70/352578570.db2.gz FITDQPCTLJQFDT-BBEKVSQQSA-N -1 0 172.249 1.913 10 0 ADAERM C[C@@]1(C(F)F)CCC[C@H](C(=O)[O-])O1 575535246 352578594 /nfs/dbraw/zinc/57/85/94/352578594.db2.gz XFUIWMYNBHRWBA-XRGYYRRGSA-N -1 0 194.177 1.664 10 0 ADAERM C[C@@H]1CC[C@]2(CS1)C[C@@H]2C(=O)[O-] 575535238 352578615 /nfs/dbraw/zinc/57/86/15/352578615.db2.gz DTPIUGFFBGGESE-ZXFLCMHBSA-N -1 0 186.276 1.993 10 0 ADAERM C[C@@H]1CC[C@]2(CS1)C[C@H]2C(=O)[O-] 575535234 352578631 /nfs/dbraw/zinc/57/86/31/352578631.db2.gz DTPIUGFFBGGESE-BKPPORCPSA-N -1 0 186.276 1.993 10 0 ADAERM C[C@]1(C(F)F)CCC[C@H](C(=O)[O-])O1 575535242 352578635 /nfs/dbraw/zinc/57/86/35/352578635.db2.gz XFUIWMYNBHRWBA-SVGQVSJJSA-N -1 0 194.177 1.664 10 0 ADAERM C[C@]1(C(F)F)CCC[C@@H](C(=O)[O-])O1 575535248 352578697 /nfs/dbraw/zinc/57/86/97/352578697.db2.gz XFUIWMYNBHRWBA-YLWLKBPMSA-N -1 0 194.177 1.664 10 0 ADAERM C[C@@]1(C(F)F)CCC[C@@H](C(=O)[O-])O1 575535244 352578706 /nfs/dbraw/zinc/57/87/06/352578706.db2.gz XFUIWMYNBHRWBA-XNCJUZBTSA-N -1 0 194.177 1.664 10 0 ADAERM CO[C@]1(C(=O)[O-])CC[C@H](C)SC1 575535371 352579007 /nfs/dbraw/zinc/57/90/07/352579007.db2.gz MARYEGXDKSKVDJ-POYBYMJQSA-N -1 0 190.264 1.372 10 0 ADAERM CO[C@@]1(C(=O)[O-])CC[C@@H](C)SC1 575535373 352579123 /nfs/dbraw/zinc/57/91/23/352579123.db2.gz MARYEGXDKSKVDJ-SVRRBLITSA-N -1 0 190.264 1.372 10 0 ADAERM CO[C@]1(C(=O)[O-])CC[C@@H](C)SC1 575535369 352579172 /nfs/dbraw/zinc/57/91/72/352579172.db2.gz MARYEGXDKSKVDJ-HTRCEHHLSA-N -1 0 190.264 1.372 10 0 ADAERM CO[C@@]1(C(=O)[O-])CC[C@H](C)SC1 575535375 352579266 /nfs/dbraw/zinc/57/92/66/352579266.db2.gz MARYEGXDKSKVDJ-XPUUQOCRSA-N -1 0 190.264 1.372 10 0 ADAERM C[C@@H]1CC[C@H](CC(=O)[O-])CS1 575535496 352579714 /nfs/dbraw/zinc/57/97/14/352579714.db2.gz OFERQKDOPOAKAH-RNFRBKRXSA-N -1 0 174.265 1.993 10 0 ADAERM C[C@@H]1CC[C@@H]([C@H](F)C(=O)[O-])CS1 575535550 352579741 /nfs/dbraw/zinc/57/97/41/352579741.db2.gz QCVVEXPJXXFWHH-QYNIQEEDSA-N -1 0 192.255 1.941 10 0 ADAERM C[C@H]1CC[C@H](CC(=O)[O-])CS1 575535494 352579790 /nfs/dbraw/zinc/57/97/90/352579790.db2.gz OFERQKDOPOAKAH-NKWVEPMBSA-N -1 0 174.265 1.993 10 0 ADAERM C[C@@H]1CC[C@@H]([C@@H](F)C(=O)[O-])CS1 575535549 352579826 /nfs/dbraw/zinc/57/98/26/352579826.db2.gz QCVVEXPJXXFWHH-FSDSQADBSA-N -1 0 192.255 1.941 10 0 ADAERM C[C@@H]1CC[C@H]([C@@H](F)C(=O)[O-])CS1 575535546 352579838 /nfs/dbraw/zinc/57/98/38/352579838.db2.gz QCVVEXPJXXFWHH-DSYKOEDSSA-N -1 0 192.255 1.941 10 0 ADAERM C[C@@H]1CC[C@@H](CC(=O)[O-])CS1 575535497 352579933 /nfs/dbraw/zinc/57/99/33/352579933.db2.gz OFERQKDOPOAKAH-RQJHMYQMSA-N -1 0 174.265 1.993 10 0 ADAERM C[C@@H]1CC[C@H]([C@H](F)C(=O)[O-])CS1 575535551 352579992 /nfs/dbraw/zinc/57/99/92/352579992.db2.gz QCVVEXPJXXFWHH-VQVTYTSYSA-N -1 0 192.255 1.941 10 0 ADAERM C[C@H]1CC[C@@H](CC(=O)[O-])CS1 575535493 352580022 /nfs/dbraw/zinc/58/00/22/352580022.db2.gz OFERQKDOPOAKAH-BQBZGAKWSA-N -1 0 174.265 1.993 10 0 ADAERM C[C@@H]1CC[C@](O)(CC(=O)[O-])CS1 575535714 352580413 /nfs/dbraw/zinc/58/04/13/352580413.db2.gz XWNZTEUFVLNYJW-SVRRBLITSA-N -1 0 190.264 1.108 10 0 ADAERM C[C@@H]1CC[C@@](O)(CC(=O)[O-])CS1 575535697 352580461 /nfs/dbraw/zinc/58/04/61/352580461.db2.gz XWNZTEUFVLNYJW-HTRCEHHLSA-N -1 0 190.264 1.108 10 0 ADAERM C[C@H]1CC[C@@](O)(CC(=O)[O-])CS1 575535712 352580803 /nfs/dbraw/zinc/58/08/03/352580803.db2.gz XWNZTEUFVLNYJW-POYBYMJQSA-N -1 0 190.264 1.108 10 0 ADAERM C[C@H]1CC[C@](O)(CC(=O)[O-])CS1 575535715 352580808 /nfs/dbraw/zinc/58/08/08/352580808.db2.gz XWNZTEUFVLNYJW-XPUUQOCRSA-N -1 0 190.264 1.108 10 0 ADAERM CC(C)(c1n[n-]c(=O)o1)C(F)F 575535931 352581423 /nfs/dbraw/zinc/58/14/23/352581423.db2.gz MYAOSTBAQYZMLX-UHFFFAOYSA-N -1 0 178.138 1.318 10 0 ADAERM CC(C)(c1n[nH]c(=S)[nH]1)C(F)F 575535959 352581434 /nfs/dbraw/zinc/58/14/34/352581434.db2.gz XVUOIXJEFUAECH-UHFFFAOYSA-N -1 0 193.222 1.636 10 0 ADAERM CC[C@H](C)Cc1n[nH]c(=O)[n-]1 575535930 352581459 /nfs/dbraw/zinc/58/14/59/352581459.db2.gz KWWZQAFWPRORLU-YFKPBYRVSA-N -1 0 155.201 1.099 10 0 ADAERM CC[C@@H](C)Cc1n[nH]c(=O)[n-]1 575535929 352581493 /nfs/dbraw/zinc/58/14/93/352581493.db2.gz KWWZQAFWPRORLU-RXMQYKEDSA-N -1 0 155.201 1.099 10 0 ADAERM O=C1N=NC(C2CC3(CCC3)C2)O1 575536024 352582058 /nfs/dbraw/zinc/58/20/58/352582058.db2.gz GKKHOICRPWSLER-UHFFFAOYSA-N -1 0 180.207 1.823 10 0 ADAERM O=c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)[n-]o1 575536214 352582717 /nfs/dbraw/zinc/58/27/17/352582717.db2.gz PQGWVYBUMDNCEA-QYNIQEEDSA-N -1 0 180.207 1.267 10 0 ADAERM O=c1nc([C@@H]2CC[C@@H]3C[C@@H]3C2)[n-]o1 575536230 352582730 /nfs/dbraw/zinc/58/27/30/352582730.db2.gz SEVIVAHZIMMGRD-FSDSQADBSA-N -1 0 180.207 1.267 10 0 ADAERM O=c1nc([C@@H]2CC[C@H]3C[C@H]3C2)[n-]o1 575536233 352582792 /nfs/dbraw/zinc/58/27/92/352582792.db2.gz SEVIVAHZIMMGRD-XVMARJQXSA-N -1 0 180.207 1.267 10 0 ADAERM O=c1nc([C@@H]2CCC[C@H]3C[C@H]32)[n-]o1 575536215 352582816 /nfs/dbraw/zinc/58/28/16/352582816.db2.gz PQGWVYBUMDNCEA-RRKCRQDMSA-N -1 0 180.207 1.267 10 0 ADAERM CC1CC(C(=O)[O-])([C@@H]2CC[C@@H]2O)C1 575536315 352583601 /nfs/dbraw/zinc/58/36/01/352583601.db2.gz ALJZTRABQNBOIN-CINMIUTLSA-N -1 0 184.235 1.258 10 0 ADAERM CC1CC(C(=O)[O-])([C@H]2CC[C@H]2O)C1 575536316 352583783 /nfs/dbraw/zinc/58/37/83/352583783.db2.gz ALJZTRABQNBOIN-DOPNHTQNSA-N -1 0 184.235 1.258 10 0 ADAERM CC1CC(C(=O)[O-])([C@H]2CC[C@@H]2O)C1 575536318 352583873 /nfs/dbraw/zinc/58/38/73/352583873.db2.gz ALJZTRABQNBOIN-VHSUDJNHSA-N -1 0 184.235 1.258 10 0 ADAERM CC1CC(C(=O)[O-])([C@@H]2CC[C@H]2O)C1 575536317 352583911 /nfs/dbraw/zinc/58/39/11/352583911.db2.gz ALJZTRABQNBOIN-FATLICPNSA-N -1 0 184.235 1.258 10 0 ADAERM C1=C(CN=c2nc[n-]s2)CCC1 575536912 352586918 /nfs/dbraw/zinc/58/69/18/352586918.db2.gz YKBJPVUOBABCST-UHFFFAOYSA-N -1 0 181.264 1.482 10 0 ADAERM O=C([O-])C1([C@H]2CC[C@H]2O)CCC1 575537027 352587540 /nfs/dbraw/zinc/58/75/40/352587540.db2.gz DSCOTVJVVNFTLR-NKWVEPMBSA-N -1 0 170.208 1.012 10 0 ADAERM O=C([O-])C1([C@H]2CC[C@@H]2O)CCC1 575537026 352587627 /nfs/dbraw/zinc/58/76/27/352587627.db2.gz DSCOTVJVVNFTLR-BQBZGAKWSA-N -1 0 170.208 1.012 10 0 ADAERM O=C([O-])C1([C@@H]2CC[C@H]2O)CCC1 575537028 352587757 /nfs/dbraw/zinc/58/77/57/352587757.db2.gz DSCOTVJVVNFTLR-RNFRBKRXSA-N -1 0 170.208 1.012 10 0 ADAERM CC1(C)C[C@]1(C(=O)[O-])[C@@H]1CC[C@@H]1O 575538962 352596882 /nfs/dbraw/zinc/59/68/82/352596882.db2.gz UXXUTIHLHGYSEW-MATHAZKKSA-N -1 0 184.235 1.258 10 0 ADAERM CC1(C)C[C@]1(C(=O)[O-])[C@@H]1CC[C@H]1O 575538958 352597085 /nfs/dbraw/zinc/59/70/85/352597085.db2.gz UXXUTIHLHGYSEW-BRDIYROLSA-N -1 0 184.235 1.258 10 0 ADAERM CC1(C)C[C@]1(C(=O)[O-])[C@H]1CC[C@H]1O 575538964 352597087 /nfs/dbraw/zinc/59/70/87/352597087.db2.gz UXXUTIHLHGYSEW-NYNCVSEMSA-N -1 0 184.235 1.258 10 0 ADAERM CC1(C)C[C@]1(C(=O)[O-])[C@H]1CC[C@@H]1O 575538963 352597135 /nfs/dbraw/zinc/59/71/35/352597135.db2.gz UXXUTIHLHGYSEW-MHYGZLNHSA-N -1 0 184.235 1.258 10 0 ADAERM O=C([O-])C1([C@H]2CC[C@H]2O)CCCC1 575539559 352599935 /nfs/dbraw/zinc/59/99/35/352599935.db2.gz ZJVNIZGBPGJRAC-JGVFFNPUSA-N -1 0 184.235 1.402 10 0 ADAERM O=C([O-])C1([C@@H]2CC[C@H]2O)CCCC1 575539558 352599938 /nfs/dbraw/zinc/59/99/38/352599938.db2.gz ZJVNIZGBPGJRAC-HTQZYQBOSA-N -1 0 184.235 1.402 10 0 ADAERM O=C([O-])C1([C@H]2CC[C@@H]2O)CCCC1 575539561 352599985 /nfs/dbraw/zinc/59/99/85/352599985.db2.gz ZJVNIZGBPGJRAC-YUMQZZPRSA-N -1 0 184.235 1.402 10 0 ADAERM O=C([O-])C1([C@@H]2CC[C@@H]2O)CCCC1 575539560 352600141 /nfs/dbraw/zinc/60/01/41/352600141.db2.gz ZJVNIZGBPGJRAC-SFYZADRCSA-N -1 0 184.235 1.402 10 0 ADAERM O=c1nc([C@H]2CCCC23CC3)[n-]o1 575540606 352604353 /nfs/dbraw/zinc/60/43/53/352604353.db2.gz DKWRHIMDIGGTTN-ZCFIWIBFSA-N -1 0 180.207 1.411 10 0 ADAERM O=c1nc([C@@H]2CCCC23CC3)[n-]o1 575540549 352604404 /nfs/dbraw/zinc/60/44/04/352604404.db2.gz DKWRHIMDIGGTTN-LURJTMIESA-N -1 0 180.207 1.411 10 0 ADAERM CC1(C)C[C@@]1(C)c1nc(=O)o[n-]1 575540817 352605129 /nfs/dbraw/zinc/60/51/29/352605129.db2.gz YQNONUKIGKCXEI-QMMMGPOBSA-N -1 0 168.196 1.051 10 0 ADAERM CC1(C)C[C@]1(C)c1nc(=O)o[n-]1 575540816 352605155 /nfs/dbraw/zinc/60/51/55/352605155.db2.gz YQNONUKIGKCXEI-MRVPVSSYSA-N -1 0 168.196 1.051 10 0 ADAERM CC(C)(c1n[n-]c(=O)o1)C(F)(F)F 575540684 352605278 /nfs/dbraw/zinc/60/52/78/352605278.db2.gz HQYJVVYIKHQHHD-UHFFFAOYSA-N -1 0 196.128 1.615 10 0 ADAERM Fc1cncc(-c2nc(=S)o[n-]2)c1 575541364 352607008 /nfs/dbraw/zinc/60/70/08/352607008.db2.gz BXTGJZINQDHIIV-UHFFFAOYSA-N -1 0 197.194 1.933 10 0 ADAERM Cc1cnc(-c2nc(=S)o[n-]2)cn1 575541613 352608428 /nfs/dbraw/zinc/60/84/28/352608428.db2.gz GUANAKLNULFDDM-UHFFFAOYSA-N -1 0 194.219 1.498 10 0 ADAERM C[C@@H]1COC[C@H]1c1n[n-]c(=S)o1 575542044 352609511 /nfs/dbraw/zinc/60/95/11/352609511.db2.gz LOHRGERAWLHQTC-RFZPGFLSSA-N -1 0 186.236 1.108 10 0 ADAERM C[C@H]1COC[C@H]1c1n[n-]c(=S)o1 575542043 352609531 /nfs/dbraw/zinc/60/95/31/352609531.db2.gz LOHRGERAWLHQTC-CRCLSJGQSA-N -1 0 186.236 1.108 10 0 ADAERM C[C@@H]1COC[C@@H]1c1n[n-]c(=S)o1 575542045 352609668 /nfs/dbraw/zinc/60/96/68/352609668.db2.gz LOHRGERAWLHQTC-UHNVWZDZSA-N -1 0 186.236 1.108 10 0 ADAERM C[C@H]1COC[C@@H]1c1n[n-]c(=S)o1 575542046 352609760 /nfs/dbraw/zinc/60/97/60/352609760.db2.gz LOHRGERAWLHQTC-WHFBIAKZSA-N -1 0 186.236 1.108 10 0 ADAERM C[C@@H](N=c1nc[n-]s1)C1(C)CC1 575543408 352614837 /nfs/dbraw/zinc/61/48/37/352614837.db2.gz PFFQIDKRYGXVQA-ZCFIWIBFSA-N -1 0 183.280 1.561 10 0 ADAERM C[C@H](N=c1nc[n-]s1)C1(C)CC1 575543407 352615030 /nfs/dbraw/zinc/61/50/30/352615030.db2.gz PFFQIDKRYGXVQA-LURJTMIESA-N -1 0 183.280 1.561 10 0 ADAERM Cc1nc(=N[C@H](C)C2(C)CC2)s[n-]1 575543853 352615857 /nfs/dbraw/zinc/61/58/57/352615857.db2.gz BHFUJJLNBGSTGN-ZCFIWIBFSA-N -1 0 197.307 1.869 10 0 ADAERM CN1CCC[C@@H]1c1nc(=S)o[n-]1 575543723 352616126 /nfs/dbraw/zinc/61/61/26/352616126.db2.gz CXBIYJKMZOYMOV-RXMQYKEDSA-N -1 0 185.252 1.499 10 0 ADAERM CN1CCC[C@H]1c1nc(=S)o[n-]1 575543724 352616180 /nfs/dbraw/zinc/61/61/80/352616180.db2.gz CXBIYJKMZOYMOV-YFKPBYRVSA-N -1 0 185.252 1.499 10 0 ADAERM CC1(C)C[C@@]1(C)N=c1nc[n-]s1 575544198 352617398 /nfs/dbraw/zinc/61/73/98/352617398.db2.gz GBWWLUAEVCQETI-MRVPVSSYSA-N -1 0 183.280 1.561 10 0 ADAERM CC1(C)C[C@]1(C)N=c1nc[n-]s1 575544201 352617572 /nfs/dbraw/zinc/61/75/72/352617572.db2.gz GBWWLUAEVCQETI-QMMMGPOBSA-N -1 0 183.280 1.561 10 0 ADAERM O=C([O-])/C=C/[C@H]1C[C@@H]2C[C@@H]2C1 575544491 352618294 /nfs/dbraw/zinc/61/82/94/352618294.db2.gz DTVMWNMDQUNJPM-YAQMFFEKSA-N -1 0 152.193 1.673 10 0 ADAERM Cc1cc(Cl)ccc1C(=O)C(=O)[O-] 575544850 352619645 /nfs/dbraw/zinc/61/96/45/352619645.db2.gz BOMHKUXGEUZABP-UHFFFAOYSA-N -1 0 198.605 1.916 10 0 ADAERM Cc1noc(=N[C@H](C)C2(C)CC2)[n-]1 575545311 352621280 /nfs/dbraw/zinc/62/12/80/352621280.db2.gz KIYJFLFJXJHVNJ-ZCFIWIBFSA-N -1 0 181.239 1.400 10 0 ADAERM Cc1noc(=N[C@@H](C)C2(C)CC2)[n-]1 575545302 352621612 /nfs/dbraw/zinc/62/16/12/352621612.db2.gz KIYJFLFJXJHVNJ-LURJTMIESA-N -1 0 181.239 1.400 10 0 ADAERM S=c1nc([C@@H]2CCCCO2)[n-]o1 575546274 352624806 /nfs/dbraw/zinc/62/48/06/352624806.db2.gz SWTIDNSLTVAZLN-YFKPBYRVSA-N -1 0 186.236 1.974 10 0 ADAERM S=c1nc([C@H]2CCCCO2)[n-]o1 575546273 352625188 /nfs/dbraw/zinc/62/51/88/352625188.db2.gz SWTIDNSLTVAZLN-RXMQYKEDSA-N -1 0 186.236 1.974 10 0 ADAERM Cc1noc(=N[C@@]2(C)CC2(C)C)[n-]1 575546852 352627164 /nfs/dbraw/zinc/62/71/64/352627164.db2.gz ZXXMSVOXBVDVDB-VIFPVBQESA-N -1 0 181.239 1.400 10 0 ADAERM Cc1noc(=N[C@]2(C)CC2(C)C)[n-]1 575546851 352627207 /nfs/dbraw/zinc/62/72/07/352627207.db2.gz ZXXMSVOXBVDVDB-SECBINFHSA-N -1 0 181.239 1.400 10 0 ADAERM O=C([O-])[C@@H]1C[C@@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575547106 352627618 /nfs/dbraw/zinc/62/76/18/352627618.db2.gz XNFFJLNERQDGNQ-ANZWQOBJSA-N -1 0 166.220 1.753 10 0 ADAERM O=C([O-])[C@@H]1C[C@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575547119 352627628 /nfs/dbraw/zinc/62/76/28/352627628.db2.gz XNFFJLNERQDGNQ-QKAWAISNSA-N -1 0 166.220 1.753 10 0 ADAERM O=C([O-])/C(F)=C\C1C[C@@H]2C[C@@H]2C1 575547385 352628246 /nfs/dbraw/zinc/62/82/46/352628246.db2.gz ZEMVPGLKAYCDAD-FDKRLGMRSA-N -1 0 170.183 1.971 10 0 ADAERM O=C([O-])/C(F)=C/C1C[C@@H]2C[C@@H]2C1 575547388 352628669 /nfs/dbraw/zinc/62/86/69/352628669.db2.gz ZEMVPGLKAYCDAD-VXKARBQRSA-N -1 0 170.183 1.971 10 0 ADAERM CS[C@@H]1CC[C@@H]1N=c1[n-]c(C)no1 575549870 352636044 /nfs/dbraw/zinc/63/60/44/352636044.db2.gz NYVWAXDTCNAPJR-NKWVEPMBSA-N -1 0 199.279 1.106 10 0 ADAERM CS[C@@H]1CC[C@H]1N=c1[n-]c(C)no1 575549871 352636206 /nfs/dbraw/zinc/63/62/06/352636206.db2.gz NYVWAXDTCNAPJR-RNFRBKRXSA-N -1 0 199.279 1.106 10 0 ADAERM CS[C@H]1CC[C@H]1N=c1[n-]c(C)no1 575549872 352636216 /nfs/dbraw/zinc/63/62/16/352636216.db2.gz NYVWAXDTCNAPJR-RQJHMYQMSA-N -1 0 199.279 1.106 10 0 ADAERM CS[C@H]1CC[C@@H]1N=c1[n-]c(C)no1 575549869 352636225 /nfs/dbraw/zinc/63/62/25/352636225.db2.gz NYVWAXDTCNAPJR-BQBZGAKWSA-N -1 0 199.279 1.106 10 0 ADAERM CC1(C)C[C@@]1(C)CN=c1nc[n-]s1 575550241 352637254 /nfs/dbraw/zinc/63/72/54/352637254.db2.gz QRXSRVLCRNAVGD-VIFPVBQESA-N -1 0 197.307 1.808 10 0 ADAERM CC1(C)C[C@]1(C)CN=c1nc[n-]s1 575550240 352637290 /nfs/dbraw/zinc/63/72/90/352637290.db2.gz QRXSRVLCRNAVGD-SECBINFHSA-N -1 0 197.307 1.808 10 0 ADAERM Cc1nc(-c2nc(=S)o[n-]2)[nH]c1C 575551846 352643577 /nfs/dbraw/zinc/64/35/77/352643577.db2.gz UNGQBDYJLKYIHC-UHFFFAOYSA-N -1 0 196.235 1.739 10 0 ADAERM Cc1nc(-c2ccsn2)nc(=O)[n-]1 575551858 352643836 /nfs/dbraw/zinc/64/38/36/352643836.db2.gz VNRPEOADHAVEAN-UHFFFAOYSA-N -1 0 194.219 1.009 10 0 ADAERM O=c1[n-]nc(C2(C(F)F)CC2)o1 575552942 352647124 /nfs/dbraw/zinc/64/71/24/352647124.db2.gz LKMRCRFSSROWGR-UHFFFAOYSA-N -1 0 176.122 1.072 10 0 ADAERM CC1(C)C[C@]1(C)C1N=NC(=O)O1 575554420 352652541 /nfs/dbraw/zinc/65/25/41/352652541.db2.gz JXCFUPZSOZTZIJ-MRVPVSSYSA-N -1 0 168.196 1.463 10 0 ADAERM CC1(N/C=C/C(=O)[O-])CC=CC1 575554283 352652617 /nfs/dbraw/zinc/65/26/17/352652617.db2.gz QFTXNMPNCVJXOM-QPJJXVBHSA-N -1 0 167.208 1.283 10 0 ADAERM O=C([O-])/C(F)=C/c1ccc(F)cn1 575554558 352652897 /nfs/dbraw/zinc/65/28/97/352652897.db2.gz FQFXHJQRLRZVIC-CLTKARDFSA-N -1 0 185.129 1.616 10 0 ADAERM C/C(=C/c1ccc(F)cn1)C(=O)[O-] 575555337 352655931 /nfs/dbraw/zinc/65/59/31/352655931.db2.gz KGJFMBFNNZMQFY-XQRVVYSFSA-N -1 0 181.166 1.709 10 0 ADAERM CC(F)(F)CC1(C(=O)[O-])CC1 575556417 352659838 /nfs/dbraw/zinc/65/98/38/352659838.db2.gz BMOHNMLMQLRMQE-UHFFFAOYSA-N -1 0 164.151 1.897 10 0 ADAERM C[C@@H](CC(C)(F)F)C(=O)[O-] 575557774 352665690 /nfs/dbraw/zinc/66/56/90/352665690.db2.gz JXXNCQQYDYGIET-BYPYZUCNSA-N -1 0 152.140 1.752 10 0 ADAERM C[C@H](CC(C)(F)F)C(=O)[O-] 575557778 352665731 /nfs/dbraw/zinc/66/57/31/352665731.db2.gz JXXNCQQYDYGIET-SCSAIBSYSA-N -1 0 152.140 1.752 10 0 ADAERM O=C([O-])c1cccn1C1CSC1 575558070 352667013 /nfs/dbraw/zinc/66/70/13/352667013.db2.gz BFAQRCBBEBBABZ-UHFFFAOYSA-N -1 0 183.232 1.474 10 0 ADAERM NC(=O)Nc1cccc(F)c1O 575559078 352670698 /nfs/dbraw/zinc/67/06/98/352670698.db2.gz XNAHFUNIUKVWAT-UHFFFAOYSA-N -1 0 170.143 1.022 10 0 ADAERM CC(F)(F)C1(c2n[n-]c(=O)o2)CC1 575560871 352678367 /nfs/dbraw/zinc/67/83/67/352678367.db2.gz CUFBQNDYIPFISF-UHFFFAOYSA-N -1 0 190.149 1.462 10 0 ADAERM CC1(C)C[C@]1(C)c1noc(=N)[n-]1 575562437 352686558 /nfs/dbraw/zinc/68/65/58/352686558.db2.gz ZPRNWOBJHJQNIB-MRVPVSSYSA-N -1 0 167.212 1.170 10 0 ADAERM CC1(C)C[C@@]1(C)c1noc(=N)[n-]1 575562438 352686687 /nfs/dbraw/zinc/68/66/87/352686687.db2.gz ZPRNWOBJHJQNIB-QMMMGPOBSA-N -1 0 167.212 1.170 10 0 ADAERM CC1(C)C[C@]1(C(=O)[O-])c1nccs1 575562827 352688133 /nfs/dbraw/zinc/68/81/33/352688133.db2.gz FOOSJESJTBGRFB-SECBINFHSA-N -1 0 197.259 1.895 10 0 ADAERM O=C([O-])c1ccc(NC2CSC2)o1 575562756 352688197 /nfs/dbraw/zinc/68/81/97/352688197.db2.gz CNOPXCSLTZYWKY-UHFFFAOYSA-N -1 0 199.231 1.505 10 0 ADAERM CC1(C)C[C@@]1(C(=O)[O-])c1nccs1 575562828 352688280 /nfs/dbraw/zinc/68/82/80/352688280.db2.gz FOOSJESJTBGRFB-VIFPVBQESA-N -1 0 197.259 1.895 10 0 ADAERM CC(C)[C@@]1(C2CC2)OC(=O)[N-]C1=O 575563330 352690092 /nfs/dbraw/zinc/69/00/92/352690092.db2.gz XFXLOHBGOOTMFD-VIFPVBQESA-N -1 0 183.207 1.058 10 0 ADAERM CC(C)[C@]1(C2CC2)OC(=O)[N-]C1=O 575563327 352690155 /nfs/dbraw/zinc/69/01/55/352690155.db2.gz XFXLOHBGOOTMFD-SECBINFHSA-N -1 0 183.207 1.058 10 0 ADAERM CN=c1[n-]c([C@]2(C)CC2(C)C)no1 575563648 352691447 /nfs/dbraw/zinc/69/14/47/352691447.db2.gz PWQUMBZBRZVEFI-VIFPVBQESA-N -1 0 181.239 1.221 10 0 ADAERM CC1(C)C[C@@]1(C(=O)[O-])[C@@H]1CCOC1 575563582 352691383 /nfs/dbraw/zinc/69/13/83/352691383.db2.gz PQKGSEWHJSFPAE-XCBNKYQSSA-N -1 0 184.235 1.524 10 0 ADAERM CC1(C)C[C@@]1(C)N/C=C/C(=O)[O-] 575563577 352691386 /nfs/dbraw/zinc/69/13/86/352691386.db2.gz PLUDMLVUIIAVLE-XNPJLODASA-N -1 0 169.224 1.363 10 0 ADAERM CC1(C)C[C@@]1(C(=O)[O-])[C@H]1CCOC1 575563583 352691402 /nfs/dbraw/zinc/69/14/02/352691402.db2.gz PQKGSEWHJSFPAE-XVKPBYJWSA-N -1 0 184.235 1.524 10 0 ADAERM CC1(C)C[C@]1(C)N/C=C/C(=O)[O-] 575563576 352691462 /nfs/dbraw/zinc/69/14/62/352691462.db2.gz PLUDMLVUIIAVLE-MOVJSRMASA-N -1 0 169.224 1.363 10 0 ADAERM CC1(C)C[C@]1(C(=O)[O-])[C@@H]1CCOC1 575563580 352691522 /nfs/dbraw/zinc/69/15/22/352691522.db2.gz PQKGSEWHJSFPAE-GMSGAONNSA-N -1 0 184.235 1.524 10 0 ADAERM CN=c1[n-]c([C@@]2(C)CC2(C)C)no1 575563647 352691562 /nfs/dbraw/zinc/69/15/62/352691562.db2.gz PWQUMBZBRZVEFI-SECBINFHSA-N -1 0 181.239 1.221 10 0 ADAERM CC1(C)C[C@]1(C(=O)[O-])[C@H]1CCOC1 575563581 352691599 /nfs/dbraw/zinc/69/15/99/352691599.db2.gz PQKGSEWHJSFPAE-OIBJUYFYSA-N -1 0 184.235 1.524 10 0 ADAERM CC1(C)C[C@]1(CCF)C(=O)[O-] 575563726 352692141 /nfs/dbraw/zinc/69/21/41/352692141.db2.gz SHVNNAFDEVWCQW-MRVPVSSYSA-N -1 0 160.188 1.847 10 0 ADAERM CC1(C)C[C@@]1(CCF)C(=O)[O-] 575563727 352692368 /nfs/dbraw/zinc/69/23/68/352692368.db2.gz SHVNNAFDEVWCQW-QMMMGPOBSA-N -1 0 160.188 1.847 10 0 ADAERM CC1(C)C[C@@]1(C(=O)[O-])c1ncns1 575563852 352692807 /nfs/dbraw/zinc/69/28/07/352692807.db2.gz XAMGBVXPVZMOKZ-QMMMGPOBSA-N -1 0 198.247 1.290 10 0 ADAERM CC1(C)C[C@@]1(C(=O)[O-])c1nncs1 575563850 352692960 /nfs/dbraw/zinc/69/29/60/352692960.db2.gz WZJAKTVREOXQRA-QMMMGPOBSA-N -1 0 198.247 1.290 10 0 ADAERM CC(C)C(C)(C)n1nn[n-]c1=S 575563953 352693717 /nfs/dbraw/zinc/69/37/17/352693717.db2.gz ZWWQTWRWGGHYCC-UHFFFAOYSA-N -1 0 186.284 1.353 10 0 ADAERM Cc1cocc1-c1n[nH]c(=S)[nH]1 575564517 352696433 /nfs/dbraw/zinc/69/64/33/352696433.db2.gz XWBIXZRGRBIHQO-UHFFFAOYSA-N -1 0 181.220 1.662 10 0 ADAERM O=c1[nH]cccc1-c1nc(=S)o[n-]1 575564527 352696450 /nfs/dbraw/zinc/69/64/50/352696450.db2.gz ZJUQEKUWYPYGNE-UHFFFAOYSA-N -1 0 195.203 1.500 10 0 ADAERM Cc1nc(=NC[C@@]2(C)C[C@@H]2C)s[n-]1 575565218 352699902 /nfs/dbraw/zinc/69/99/02/352699902.db2.gz AFLCGSAIBXIAOM-IMTBSYHQSA-N -1 0 197.307 1.726 10 0 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1.015 10 0 ADAERM Cc1ccc(F)c(C(=O)C(=O)[O-])c1 75865773 573713510 /nfs/dbraw/zinc/71/35/10/573713510.db2.gz TXVOUWLBIDDPRU-UHFFFAOYSA-N -1 0 182.150 1.401 10 0 ADAERM O=C([O-])c1cc2[nH]c(Cl)nc2cn1 258101589 573713527 /nfs/dbraw/zinc/71/35/27/573713527.db2.gz NXKGISAIOMEPLM-UHFFFAOYSA-N -1 0 197.581 1.310 10 0 ADAERM O=C([O-])[C@@H](F)c1ccc(O)cc1 108279452 573713540 /nfs/dbraw/zinc/71/35/40/573713540.db2.gz VNEIUVNKRDIOMW-ZETCQYMHSA-N -1 0 170.139 1.487 10 0 ADAERM C[C@H](CC(=O)[O-])c1ccc(N)nc1 75855399 573713545 /nfs/dbraw/zinc/71/35/45/573713545.db2.gz LAHCQTVDLHSMTR-ZCFIWIBFSA-N -1 0 180.207 1.242 10 0 ADAERM O=C([O-])c1cc2[nH]ccc2nc1Cl 108269953 573713583 /nfs/dbraw/zinc/71/35/83/573713583.db2.gz OEMPPWFOBQZSQJ-UHFFFAOYSA-N -1 0 196.593 1.915 10 0 ADAERM Cc1cc(O)c2n[nH]cc2c1C 238493146 573713605 /nfs/dbraw/zinc/71/36/05/573713605.db2.gz DSCQSMLOQWSDGH-UHFFFAOYSA-N -1 0 162.192 1.885 10 0 ADAERM Cc1ccc([C@H](O)[P@@H](=O)[O-])cc1 238491974 573713686 /nfs/dbraw/zinc/71/36/86/573713686.db2.gz BVILAJIAHQDGDV-MRVPVSSYSA-N -1 0 186.147 1.453 10 0 ADAERM Cc1cnc2nccc(C(=O)[O-])c2c1 238492172 573713779 /nfs/dbraw/zinc/71/37/79/573713779.db2.gz UPUHBDORCDRDPQ-UHFFFAOYSA-N -1 0 188.186 1.636 10 0 ADAERM COc1nc(C(=O)[O-])cn1C(C)C 257855144 573713849 /nfs/dbraw/zinc/71/38/49/573713849.db2.gz CVLNDHDKTRTGNV-UHFFFAOYSA-N -1 0 184.195 1.171 10 0 ADAERM COCCCCn1ccc(C(=O)[O-])c1 130950719 573713888 /nfs/dbraw/zinc/71/38/88/573713888.db2.gz GKBGOAGVRYVINZ-UHFFFAOYSA-N -1 0 197.234 1.613 10 0 ADAERM C[C@H]1C[C@@H](C(C)(C)C(=O)[O-])CC1=O 238491969 573713911 /nfs/dbraw/zinc/71/39/11/573713911.db2.gz LEZRPMYOJCYYDV-NKWVEPMBSA-N -1 0 184.235 1.712 10 0 ADAERM O=Cc1nc2c(c(=O)[n-]1)CCCCC2 257855890 573719480 /nfs/dbraw/zinc/71/94/80/573719480.db2.gz PXCOCAGROOWQJT-UHFFFAOYSA-N -1 0 192.218 1.264 10 0 ADAERM O=C([O-])/C=C\COCc1ccncc1 393556206 573719490 /nfs/dbraw/zinc/71/94/90/573719490.db2.gz STGZLENQHXGPEE-UPHRSURJSA-N -1 0 193.202 1.239 10 0 ADAERM O=C([O-])[C@H]1CC[C@H]1c1cccc(O)c1 257856783 573719491 /nfs/dbraw/zinc/71/94/91/573719491.db2.gz QAIHGUKAHBVRBD-UWVGGRQHSA-N -1 0 192.214 1.970 10 0 ADAERM CC(C)(C)[C@@](C)(F)C(=O)[O-] 108281872 573719519 /nfs/dbraw/zinc/71/95/19/573719519.db2.gz ZTKQUFBONLFERA-ZETCQYMHSA-N -1 0 148.177 1.845 10 0 ADAERM C[C@H]1[C@@H]2CCO[C@H]2CC[C@H]1C(=O)[O-] 258097489 573718883 /nfs/dbraw/zinc/71/88/83/573718883.db2.gz XJCNDVIIPZYKCO-MAUMQABQSA-N -1 0 184.235 1.522 10 0 ADAERM O=C([O-])C[C@@H](F)C1CCSCC1 257855921 573718889 /nfs/dbraw/zinc/71/88/89/573718889.db2.gz PYBHBYQYBCUMAH-SSDOTTSWSA-N -1 0 192.255 1.942 10 0 ADAERM C[C@@]1(C(=O)[O-])Cc2ccc(O)cc2N1 258097283 573718929 /nfs/dbraw/zinc/71/89/29/573718929.db2.gz IHXDBURTHFLYPF-JTQLQIEISA-N -1 0 193.202 1.204 10 0 ADAERM CCc1n[nH]c2cccc(C(=O)[O-])c12 257856938 573719107 /nfs/dbraw/zinc/71/91/07/573719107.db2.gz QEYKECJBQMNLIK-UHFFFAOYSA-N -1 0 190.202 1.824 10 0 ADAERM C[S@@](=O)C1=C(C(=O)[O-])CCCC1 238494957 573719146 /nfs/dbraw/zinc/71/91/46/573719146.db2.gz DUHHZNLJXQPVGF-GFCCVEGCSA-N -1 0 188.248 1.278 10 0 ADAERM Cc1ccc(CF)cc1[C@@H](O)C(=O)[O-] 258098704 573719228 /nfs/dbraw/zinc/71/92/28/573719228.db2.gz ORRCTCIIUPTUJJ-SECBINFHSA-N -1 0 198.193 1.583 10 0 ADAERM O=C([O-])[C@@H]1CC[C@@H]1c1ccccc1O 257855920 573719229 /nfs/dbraw/zinc/71/92/29/573719229.db2.gz PYAPRFAIDFJIMC-VXNVDRBHSA-N -1 0 192.214 1.970 10 0 ADAERM O=C([O-])c1ccc2occ(CO)c2c1 258098248 573719261 /nfs/dbraw/zinc/71/92/61/573719261.db2.gz RTQGMWJQXTWRMO-UHFFFAOYSA-N -1 0 192.170 1.623 10 0 ADAERM O=C([O-])[C@@H]1CSc2ccc(O)cc21 258097658 573719273 /nfs/dbraw/zinc/71/92/73/573719273.db2.gz NSZSQWDSGYWQAT-SSDOTTSWSA-N -1 0 196.227 1.666 10 0 ADAERM CCc1cc(C(=O)[O-])nnc1Cl 83965751 573719341 /nfs/dbraw/zinc/71/93/41/573719341.db2.gz STMRIGXCQHKPAN-UHFFFAOYSA-N -1 0 186.598 1.391 10 0 ADAERM Cc1ccc(F)cc1O[C@H](C)C(=O)[O-] 75881884 573719380 /nfs/dbraw/zinc/71/93/80/573719380.db2.gz UWRPLVQMIBUMCU-SSDOTTSWSA-N -1 0 198.193 1.986 10 0 ADAERM C[C@@]1(C(=O)[O-])CCCC[C@H]1F 258418478 573719384 /nfs/dbraw/zinc/71/93/84/573719384.db2.gz BTHGTPCPVMXZNL-HTRCEHHLSA-N -1 0 160.188 1.989 10 0 ADAERM COc1[nH]nc(C(=O)[O-])c1CC(C)C 257857145 573719413 /nfs/dbraw/zinc/71/94/13/573719413.db2.gz NWCOWFAOFZBGJI-UHFFFAOYSA-N -1 0 198.222 1.315 10 0 ADAERM Cc1cn2cc(C(=O)[O-])cc2cn1 258103844 573720813 /nfs/dbraw/zinc/72/08/13/573720813.db2.gz YEJMATODTJLFRA-UHFFFAOYSA-N -1 0 176.175 1.341 10 0 ADAERM O=C([O-])[C@H]1CC[C@@H]1c1ccccc1O 257855916 573720861 /nfs/dbraw/zinc/72/08/61/573720861.db2.gz PYAPRFAIDFJIMC-APPZFPTMSA-N -1 0 192.214 1.970 10 0 ADAERM C[C@@](F)(C(=O)[O-])C1CCC1 108281744 573721163 /nfs/dbraw/zinc/72/11/63/573721163.db2.gz CCDAMRFZKSOKQO-ZETCQYMHSA-N -1 0 146.161 1.599 10 0 ADAERM Cc1ccc2c(c1)[C@@H](C(=O)[O-])[NH2+]C2 238494226 573721172 /nfs/dbraw/zinc/72/11/72/573721172.db2.gz SELNQUWUNQSUGX-VIFPVBQESA-N -1 0 177.203 1.224 10 0 ADAERM CC(C)OCc1cc(C(=O)[O-])nn1C 257855501 573721177 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/nfs/dbraw/zinc/72/39/40/573723940.db2.gz QZFJNIAOSGAGQD-ZCFIWIBFSA-N -1 0 156.181 1.401 10 0 ADAERM C/C=C/[C@@](O)(C(=O)[O-])c1ccccc1 238047559 573723945 /nfs/dbraw/zinc/72/39/45/573723945.db2.gz XZTFFWRSTYITKJ-GMSVWWJUSA-N -1 0 192.214 1.535 10 0 ADAERM Nc1cccc2c1CC[C@@H](C(=O)[O-])C2 257857684 573723953 /nfs/dbraw/zinc/72/39/53/573723953.db2.gz QGSWAGWBDCRRMH-MRVPVSSYSA-N -1 0 191.230 1.458 10 0 ADAERM C[C@H]1COC[C@H]1CCCC(=O)[O-] 687954586 573724119 /nfs/dbraw/zinc/72/41/19/573724119.db2.gz SGNADIAGXOSQMU-JGVFFNPUSA-N -1 0 172.224 1.524 10 0 ADAERM C[C@H](Oc1ccccc1O)C(=O)[O-] 142907474 573724125 /nfs/dbraw/zinc/72/41/25/573724125.db2.gz RQIGXDGBBJMQAE-LURJTMIESA-N -1 0 182.175 1.244 10 0 ADAERM CCCc1cc(C(=O)[O-])cnn1 257857927 573724152 /nfs/dbraw/zinc/72/41/52/573724152.db2.gz AVUSKLXHDKJLIO-UHFFFAOYSA-N -1 0 166.180 1.127 10 0 ADAERM C[C@@H](CC1=CCCO1)C(=O)[O-] 108283532 573724176 /nfs/dbraw/zinc/72/41/76/573724176.db2.gz QZFJNIAOSGAGQD-LURJTMIESA-N -1 0 156.181 1.401 10 0 ADAERM 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