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COc1cccc2c(C(=O)[O-])c(C)nn21 ZINC000096102419 175298447 /nfs/dbraw/zinc/29/84/47/175298447.db2.gz VTOBBIXCJGJMOS-UHFFFAOYSA-N -1 0 206.201 1.350 10 0 BDAERM COc1ccccc1-c1cc(C(=O)[O-])nc(N)n1 ZINC000020264829 175308331 /nfs/dbraw/zinc/30/83/31/175308331.db2.gz CREHLEBYTKRJJW-UHFFFAOYSA-N -1 0 245.238 1.433 10 0 BDAERM COc1ccccc1Cc1nnc(C(=O)[O-])o1 ZINC000057523049 175334540 /nfs/dbraw/zinc/33/45/40/175334540.db2.gz BAKWBXLSULPHPU-UHFFFAOYSA-N -1 0 234.211 1.367 10 0 BDAERM COc1ccccc1N1NC(=CC(=O)[O-])CC1=O ZINC000062605983 175336307 /nfs/dbraw/zinc/33/63/07/175336307.db2.gz OPHDHDAPARLRBQ-UHFFFAOYSA-N -1 0 248.238 1.263 10 0 BDAERM COc1ccccc1O[C@@H](C)CC(=O)[O-] ZINC000035740284 175342516 /nfs/dbraw/zinc/34/25/16/175342516.db2.gz ZQTCRWIQVNJWHF-QMMMGPOBSA-N -1 0 210.229 1.937 10 0 BDAERM CSCC[C@H](NC(=O)NC(C)(C)C)C(=O)[O-] ZINC000019979627 175508199 /nfs/dbraw/zinc/50/81/99/175508199.db2.gz GJFVIOULBTZRIK-ZETCQYMHSA-N -1 0 248.348 1.290 10 0 BDAERM C[C@@H](C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1 ZINC000019442418 175625237 /nfs/dbraw/zinc/62/52/37/175625237.db2.gz HLDRHTIUFWCEJA-ZETCQYMHSA-N -1 0 246.259 1.214 10 0 BDAERM C[C@@H](CSc1cnn(C)c1)C(=O)[O-] ZINC000042405841 175765028 /nfs/dbraw/zinc/76/50/28/175765028.db2.gz DQSWSCJPSAOVJO-LURJTMIESA-N -1 0 200.263 1.233 10 0 BDAERM C[C@@H](Nc1nccnc1C(=O)[O-])C1CC1 ZINC000054527861 175938774 /nfs/dbraw/zinc/93/87/74/175938774.db2.gz VCUUUBBUPXYZLL-ZCFIWIBFSA-N -1 0 207.233 1.385 10 0 BDAERM C[C@@H](Oc1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000011730300 176004813 /nfs/dbraw/zinc/00/48/13/176004813.db2.gz QPXKXQCFDVWZFO-SSDOTTSWSA-N -1 0 235.239 1.423 10 0 BDAERM C[C@@H](SCc1cc(=O)c(O)co1)C(=O)[O-] ZINC000037414875 176008860 /nfs/dbraw/zinc/00/88/60/176008860.db2.gz MDPNVJNDVUSYID-RXMQYKEDSA-N -1 0 230.241 1.052 10 0 BDAERM C[C@@H](SC[C@H]1COC2(CCCC2)O1)C(=O)[O-] ZINC000037429677 176008954 /nfs/dbraw/zinc/00/89/54/176008954.db2.gz RCXSYHPIFVYBMZ-RKDXNWHRSA-N -1 0 246.328 1.878 10 0 BDAERM C[C@@H](S[C@H]1CCCCC1=O)C(=O)[O-] ZINC000075602785 176009047 /nfs/dbraw/zinc/00/90/47/176009047.db2.gz VDWKSFUSOJQIQY-SVRRBLITSA-N -1 0 202.275 1.704 10 0 BDAERM C[C@@H]1CC(=O)N([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000038051842 176049678 /nfs/dbraw/zinc/04/96/78/176049678.db2.gz JYTITVALIFPGTO-KCJUWKMLSA-N -1 0 247.250 1.207 10 0 BDAERM C[C@@H]1CCCC[C@@H]1CNC(=O)/C=C/C(=O)[O-] ZINC000042863941 176076768 /nfs/dbraw/zinc/07/67/68/176076768.db2.gz AUQAELAJDHVEIO-UHHSMLKOSA-N -1 0 225.288 1.570 10 0 BDAERM C[C@@H]1CCCN(C(=O)/C=C/C(=O)[O-])[C@@H]1C ZINC000050564174 176090854 /nfs/dbraw/zinc/09/08/54/176090854.db2.gz LCZZNHMBUDQACM-JKKBLNIGSA-N -1 0 211.261 1.274 10 0 BDAERM C[C@@H]1CCCN1C(=O)c1ncccc1C(=O)[O-] ZINC000104365433 176107642 /nfs/dbraw/zinc/10/76/42/176107642.db2.gz JCCQYIQRZDTDHG-MRVPVSSYSA-N -1 0 234.255 1.404 10 0 BDAERM C[C@@H]1CCC[C@](C(=O)[O-])(N2CCOC2=O)C1 ZINC000041036782 176151504 /nfs/dbraw/zinc/15/15/04/176151504.db2.gz SKLYIYROLNFEIK-KCJUWKMLSA-N -1 0 227.260 1.472 10 0 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C[C@H]1CCCC[C@@H]1N(C)C(=O)NCC(=O)[O-] ZINC000044415337 177080435 /nfs/dbraw/zinc/08/04/35/177080435.db2.gz KNUBZXPCJVLEIS-IUCAKERBSA-N -1 0 228.292 1.291 10 0 BDAERM C[C@H]1CCCC[C@H]1N1C[C@H](C(=O)[O-])CC1=O ZINC000036878847 177086991 /nfs/dbraw/zinc/08/69/91/177086991.db2.gz PLIOQNXAWRKLHD-IVZWLZJFSA-N -1 0 225.288 1.498 10 0 BDAERM C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)NCCC(=O)[O-] ZINC000019413046 177135975 /nfs/dbraw/zinc/13/59/75/177135975.db2.gz DABOHGIRULVJJK-AEJSXWLSSA-N -1 0 242.319 1.585 10 0 BDAERM C[C@H]1CCCc2cc(C(=O)[O-])c(=O)[nH]c21 ZINC000043404578 177144200 /nfs/dbraw/zinc/14/42/00/177144200.db2.gz ZCJIVMSMKXYUIY-LURJTMIESA-N -1 0 207.229 1.513 10 0 BDAERM C[C@H]1C[C@@H]1n1ccnc1SCC(=O)[O-] ZINC000052292673 177352343 /nfs/dbraw/zinc/35/23/43/177352343.db2.gz UJFFACRFNMBXNA-BQBZGAKWSA-N -1 0 212.274 1.641 10 0 BDAERM C[C@H]1C[C@H]1NC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000052297501 177383643 /nfs/dbraw/zinc/38/36/43/177383643.db2.gz MACXYSKAZUOXGD-IVZWLZJFSA-N -1 0 240.303 1.434 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210.229 1.039 10 0 BDAERM O=C([O-])c1noc2c1CC(F)(F)CC2 ZINC000257828202 323947336 /nfs/dbraw/zinc/94/73/36/323947336.db2.gz GHSOWCUVLRQEBQ-UHFFFAOYSA-N -1 0 203.144 1.497 10 0 BDAERM CC[C@H](C)SC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] ZINC000536957717 323968972 /nfs/dbraw/zinc/96/89/72/323968972.db2.gz DDYDSGHNYKTPNU-ATVXKPNKSA-N -1 0 248.300 1.132 10 0 BDAERM O=C([O-])C[C@@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000536960790 323974246 /nfs/dbraw/zinc/97/42/46/323974246.db2.gz YKVLYHGGHUQTRH-WDSKDSINSA-N -1 0 211.183 1.392 10 0 BDAERM COc1ccccc1[C@@]1(C(=O)[O-])C[C@H](O)C1 ZINC000536961374 323975147 /nfs/dbraw/zinc/97/51/47/323975147.db2.gz ZUZRTFALCXRISK-LYWQIFSTSA-N -1 0 222.240 1.172 10 0 BDAERM C[C@H]1CCN(C(=O)N[C@@H](CC2CC2)C(=O)[O-])C1 ZINC000304315383 324814464 /nfs/dbraw/zinc/81/44/64/324814464.db2.gz DUAYQILSRDGFNG-WPRPVWTQSA-N -1 0 240.303 1.291 10 0 BDAERM CC1CC(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C1 ZINC000567850456 326270487 /nfs/dbraw/zinc/27/04/87/326270487.db2.gz PADKQSHICKXJQD-QLVNRRSVSA-N 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CNc1cc(C(=O)[O-])cn(C2CCCC2)c1=O ZINC000114853470 487750180 /nfs/dbraw/zinc/75/01/80/487750180.db2.gz MKMOKACBQQTKMM-UHFFFAOYSA-N -1 0 236.271 1.703 10 0 BDAERM CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-] ZINC000251301645 487752797 /nfs/dbraw/zinc/75/27/97/487752797.db2.gz IFVMRXAJBZCGGT-LMLFDSFASA-N -1 0 239.315 1.506 10 0 BDAERM O=C([O-])c1cccnc1NC[C@@H]1CCC[C@@H]1O ZINC000089170259 487765338 /nfs/dbraw/zinc/76/53/38/487765338.db2.gz BKHVFJJQWYSKHV-WPRPVWTQSA-N -1 0 236.271 1.353 10 0 BDAERM CS(=O)(=O)Oc1ccc([S-])cc1 ZINC000034078102 487873024 /nfs/dbraw/zinc/87/30/24/487873024.db2.gz IFIKILAPWJGSPO-UHFFFAOYSA-N -1 0 204.272 1.314 10 0 BDAERM CC[C@@H](C)[C@H](C(=O)[O-])N(C)C(=O)N(C)C ZINC000308835835 323179866 /nfs/dbraw/zinc/17/98/66/323179866.db2.gz IBFVZDKUWFIWHW-HTQZYQBOSA-N -1 0 216.281 1.099 10 0 BDAERM C[C@@H](CCCNC(=O)N1CC[C@@H](C)C1)C(=O)[O-] ZINC000123281700 324106724 /nfs/dbraw/zinc/10/67/24/324106724.db2.gz FLZFBOVIEWORKU-ZJUUUORDSA-N -1 0 242.319 1.539 10 0 BDAERM CCC[C@H](NC(=O)C1CC(C)C1)C(=O)[O-] ZINC000134406334 325357361 /nfs/dbraw/zinc/35/73/61/325357361.db2.gz LWAQMEUWHGAKPL-HACHORDNSA-N -1 0 213.277 1.402 10 0 BDAERM CCN(CC)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000086087853 325609521 /nfs/dbraw/zinc/60/95/21/325609521.db2.gz DQZMLUWOJJLFBZ-BDAKNGLRSA-N -1 0 226.276 1.067 10 0 BDAERM CCN(CC)C(=O)NCC[C@H](C)CC(=O)[O-] ZINC000309689956 326163118 /nfs/dbraw/zinc/16/31/18/326163118.db2.gz PMCHXSLOOLKNQX-VIFPVBQESA-N -1 0 230.308 1.539 10 0 BDAERM O=C([O-])c1coc(NCC[C@@H]2CCCO2)n1 ZINC000165879580 488046414 /nfs/dbraw/zinc/04/64/14/488046414.db2.gz QJRVZPSSBBSZKM-ZETCQYMHSA-N -1 0 226.232 1.354 10 0 BDAERM CC(C)[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000166813668 488110263 /nfs/dbraw/zinc/11/02/63/488110263.db2.gz VZLNZGUJDIRCQO-DTWKUNHWSA-N -1 0 229.320 1.894 10 0 BDAERM CC(C)[C@@H](C)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000061834197 487481959 /nfs/dbraw/zinc/48/19/59/487481959.db2.gz WIWPTAPVBGRKBV-RKDXNWHRSA-N -1 0 215.293 1.648 10 0 BDAERM CC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-] ZINC000250234713 487728613 /nfs/dbraw/zinc/72/86/13/487728613.db2.gz HIGXADYCJSKESA-BZNPZCIMSA-N -1 0 211.261 1.012 10 0 BDAERM COc1ccc(CC(=O)C(=O)[O-])cc1OC ZINC000034521262 488198495 /nfs/dbraw/zinc/19/84/95/488198495.db2.gz HVDXNAJKYCPKGG-YVMONPNESA-N -1 0 224.212 1.687 10 0 BDAERM O=Cc1cn([C@H]2CCSC2)nc1C(=O)[O-] ZINC000757169113 582549371 /nfs/dbraw/zinc/54/93/71/582549371.db2.gz WYVIWNPNFJYFMK-ZETCQYMHSA-N -1 0 226.257 1.072 10 0 BDAERM O=Cc1cn([C@H]2CCCSC2)nc1C(=O)[O-] ZINC000757168308 582549521 /nfs/dbraw/zinc/54/95/21/582549521.db2.gz BJFVPHZPEVUQSE-QMMMGPOBSA-N -1 0 240.284 1.462 10 0 BDAERM Cc1ccc(-c2sc(N)nc2C(=O)[O-])nn1 ZINC000757186193 582555304 /nfs/dbraw/zinc/55/53/04/582555304.db2.gz GQOMXWNPHKHTEB-UHFFFAOYSA-N -1 0 236.256 1.189 10 0 BDAERM CC(=O)N1[C@@H](c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000057347894 519639115 /nfs/dbraw/zinc/63/91/15/519639115.db2.gz WWRKPDIDCXGRFU-NEPJUHHUSA-N -1 0 233.267 1.823 10 0 BDAERM CC(=O)Nc1ccc2c(CC(=O)[O-])cccc2n1 ZINC000057347760 519734449 /nfs/dbraw/zinc/73/44/49/519734449.db2.gz PYWYPXHCILQYMU-UHFFFAOYSA-N -1 0 244.250 1.820 10 0 BDAERM CC(=O)Nc1ccc2ncc(C(=O)[O-])cc2c1 ZINC000057348066 519735427 /nfs/dbraw/zinc/73/54/27/519735427.db2.gz UIFOAGUIMPSPDZ-UHFFFAOYSA-N -1 0 230.223 1.891 10 0 BDAERM O=C([O-])[C@@]1(c2ccc(F)nc2)CCCO1 ZINC000725262257 582808362 /nfs/dbraw/zinc/80/83/62/582808362.db2.gz KCFAKXXZBCWBCU-JTQLQIEISA-N -1 0 211.192 1.311 10 0 BDAERM COC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1F ZINC000229020800 524006733 /nfs/dbraw/zinc/00/67/33/524006733.db2.gz CJIUYMLADIYWKX-QPUJVOFHSA-N -1 0 238.214 1.557 10 0 BDAERM Cc1ccn(Cc2ncc(C(=O)[O-])c(C)n2)n1 ZINC000072221009 525605836 /nfs/dbraw/zinc/60/58/36/525605836.db2.gz ZERQMMPEENGMJP-UHFFFAOYSA-N -1 0 232.243 1.036 10 0 BDAERM Cc1ccc(-n2ccn(CC(=O)[O-])c2=O)c(C)c1 ZINC000229005693 525915054 /nfs/dbraw/zinc/91/50/54/525915054.db2.gz ZYCMPGVTZOOSSW-UHFFFAOYSA-N -1 0 246.266 1.340 10 0 BDAERM O=C([O-])[C@@H]1CCCCN1c1nccnc1Cl ZINC000073737286 526270712 /nfs/dbraw/zinc/27/07/12/526270712.db2.gz KBORCGAFPFIBJL-ZETCQYMHSA-N -1 0 241.678 1.574 10 0 BDAERM O=C([O-])[C@H]1CCCC[C@@H]1N1CCCC1=O ZINC000082919540 526320750 /nfs/dbraw/zinc/32/07/50/526320750.db2.gz QNOVAEWJQCXCEE-IUCAKERBSA-N -1 0 211.261 1.252 10 0 BDAERM CC(F)(F)CC(=O)[N-]S(=O)(=O)C1CCC1 ZINC000408487146 535190493 /nfs/dbraw/zinc/19/04/93/535190493.db2.gz VIQFAHJSUGYNML-UHFFFAOYSA-N -1 0 241.259 1.030 10 0 BDAERM CCC(=O)C(C(=O)CC)=C([O-])[C@H](C)OC ZINC000725257462 538063347 /nfs/dbraw/zinc/06/33/47/538063347.db2.gz QSMWTMHQVMWOKI-ZETCQYMHSA-N -1 0 214.261 1.165 10 0 BDAERM C[C@H](C1CC1)n1[n-]c(-c2ccnn2C)cc1=O ZINC000725257683 538066375 /nfs/dbraw/zinc/06/63/75/538066375.db2.gz UODKPYVJDLUZQL-MRVPVSSYSA-N -1 0 232.287 1.155 10 0 BDAERM CCC[C@H](C)C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC000725262777 538089337 /nfs/dbraw/zinc/08/93/37/538089337.db2.gz NIOGZOPNALPPQU-CABZTGNLSA-N -1 0 243.303 1.030 10 0 BDAERM Cn1ccnc1C([O-])=CC(=O)C(F)(F)F ZINC000106380578 582949837 /nfs/dbraw/zinc/94/98/37/582949837.db2.gz GEMIFYIDHIVWSN-UHFFFAOYSA-N -1 0 220.150 1.124 10 0 BDAERM COC(=O)c1cc([S@](=O)[O-])c(C)cc1F ZINC000675061981 566449417 /nfs/dbraw/zinc/44/94/17/566449417.db2.gz WVHBWXONKGWOGX-UHFFFAOYSA-N -1 0 232.232 1.501 10 0 BDAERM O=C([O-])c1cnc(C2CCSCC2)[nH]c1=O ZINC000401692221 566489484 /nfs/dbraw/zinc/48/94/84/566489484.db2.gz HMTJJPKRBFRKQR-UHFFFAOYSA-N -1 0 240.284 1.491 10 0 BDAERM Cc1nc(CCC2CC2)ncc1C(=O)[O-] ZINC000395179245 583048668 /nfs/dbraw/zinc/04/86/68/583048668.db2.gz QBEDHSOFIOMWLL-UHFFFAOYSA-N -1 0 206.245 1.826 10 0 BDAERM Cc1cnc([C@@H]2CC[C@@H](C)O2)nc1C(=O)[O-] ZINC000398348168 583128260 /nfs/dbraw/zinc/12/82/60/583128260.db2.gz YGFVVSATZGOMQC-SFYZADRCSA-N -1 0 222.244 1.723 10 0 BDAERM COc1cc(C(=O)[O-])cc2nc(CO)oc21 ZINC000757129278 582504823 /nfs/dbraw/zinc/50/48/23/582504823.db2.gz UZWFUOCMFSWSKP-UHFFFAOYSA-N -1 0 223.184 1.027 10 0 BDAERM C[S@](=O)CCSCc1ccc(C(=O)[O-])o1 ZINC000757137410 582516175 /nfs/dbraw/zinc/51/61/75/582516175.db2.gz KPOQOSNDNXMPAR-HNNXBMFYSA-N -1 0 248.325 1.590 10 0 BDAERM O=C([O-])c1ccc(C[S@](=O)CCCF)o1 ZINC000757145553 582528587 /nfs/dbraw/zinc/52/85/87/582528587.db2.gz PAKVLVUOYJYRSO-OAHLLOKOSA-N -1 0 234.248 1.586 10 0 BDAERM O=C([O-])c1ccc(C[S@](=O)CC2CC2)o1 ZINC000757146250 582529561 /nfs/dbraw/zinc/52/95/61/582529561.db2.gz RXYHYXTVQQBNGH-OAHLLOKOSA-N -1 0 228.269 1.637 10 0 BDAERM Cc1ccoc1CSC[C@@H](O)CC(=O)[O-] ZINC000757165347 582547166 /nfs/dbraw/zinc/54/71/66/582547166.db2.gz KLSWDLWHSZJGOG-QMMMGPOBSA-N -1 0 230.285 1.657 10 0 BDAERM CCc1ccc(CSC[C@H](O)C(=O)[O-])o1 ZINC000757166586 582547963 /nfs/dbraw/zinc/54/79/63/582547963.db2.gz QZUFBOODPVGMFL-VIFPVBQESA-N -1 0 230.285 1.521 10 0 BDAERM Cc1cccc(-c2n[nH]cc2C(=O)[O-])n1 ZINC000757171491 582551317 /nfs/dbraw/zinc/55/13/17/582551317.db2.gz RTYARGDXRALWKS-UHFFFAOYSA-N -1 0 203.201 1.478 10 0 BDAERM O=C([O-])[C@H](O)CC1CCC(F)(F)CC1 ZINC000757178646 582553358 /nfs/dbraw/zinc/55/33/58/582553358.db2.gz AADNKUFAWITBRI-SSDOTTSWSA-N -1 0 208.204 1.648 10 0 BDAERM O=C([O-])c1ccc([C@H]2CC[NH2+][C@@H](C(=O)[O-])C2)cc1 ZINC000757218528 582562307 /nfs/dbraw/zinc/56/23/07/582562307.db2.gz VOAMPKCPDFLXIK-WDEREUQCSA-N -1 0 249.266 1.305 10 0 BDAERM COC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000144311342 582570530 /nfs/dbraw/zinc/57/05/30/582570530.db2.gz GOKVTUXLNXEPLK-UHFFFAOYSA-N -1 0 219.196 1.653 10 0 BDAERM O=C([O-])c1noc([C@@H]2CCCC23CC3)n1 ZINC000706205040 582958585 /nfs/dbraw/zinc/95/85/85/582958585.db2.gz ZJOPRLJBJULDJR-LURJTMIESA-N -1 0 208.217 1.816 10 0 BDAERM Cc1nc(COCC2CC2)ncc1C(=O)[O-] ZINC000395553407 583061003 /nfs/dbraw/zinc/06/10/03/583061003.db2.gz FCFGZEQLSKDNEX-UHFFFAOYSA-N -1 0 222.244 1.410 10 0 BDAERM C[C@H]1Oc2c(cc(Br)cc2N)C1=O ZINC000757175832 586432905 /nfs/dbraw/zinc/43/29/05/586432905.db2.gz KMTQCQWLUKOBRQ-SCSAIBSYSA-N -1 0 242.072 1.995 10 0 BDAERM O=C([O-])c1cccc([C@H]2CCC[NH2+][C@@H]2C(=O)[O-])c1 ZINC000757216654 586441099 /nfs/dbraw/zinc/44/10/99/586441099.db2.gz PTZDJMFAVPCMJS-MNOVXSKESA-N -1 0 249.266 1.305 10 0 BDAERM O=C([O-])c1ccc([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)cc1 ZINC000757235602 586443181 /nfs/dbraw/zinc/44/31/81/586443181.db2.gz LYBLMCHEBKYWOP-MNOVXSKESA-N -1 0 249.266 1.305 10 0 BDAERM O=C([O-])c1ncsc1-c1ccncc1 ZINC000201373672 589089651 /nfs/dbraw/zinc/08/96/51/589089651.db2.gz HANKOZLVKFPQDN-UHFFFAOYSA-N -1 0 206.226 1.903 10 0 BDAERM O=C([O-])Cc1ccnn1-c1ccccc1 ZINC000107306443 588346633 /nfs/dbraw/zinc/34/66/33/588346633.db2.gz ZFMVAYZTOCNIPU-UHFFFAOYSA-N -1 0 202.213 1.499 10 0 BDAERM CC#CCCNc1ccc(C(=O)[O-])c(C)n1 ZINC000125855480 590193712 /nfs/dbraw/zinc/19/37/12/590193712.db2.gz NKWBGJLJKSPUAU-UHFFFAOYSA-N -1 0 218.256 1.914 10 0 BDAERM C[C@H](C(=O)[O-])c1cnnn1-c1ccccc1 ZINC000128740863 591157183 /nfs/dbraw/zinc/15/71/83/591157183.db2.gz RVLQRXJJJXKFRU-QMMMGPOBSA-N -1 0 217.228 1.455 10 0 BDAERM C[C@H](CCNC(=O)N1CCCC[C@@H]1C)C(=O)[O-] ZINC000129536171 591321673 /nfs/dbraw/zinc/32/16/73/591321673.db2.gz HAWPEJCQFNOGOE-ZJUUUORDSA-N -1 0 242.319 1.681 10 0 BDAERM O=C([O-])c1cnc(C2CCOCC2)nc1Cl ZINC000212782217 591427133 /nfs/dbraw/zinc/42/71/33/591427133.db2.gz YDSQGVNSXMEGJM-UHFFFAOYSA-N -1 0 242.662 1.722 10 0 BDAERM O=C([O-])C(F)(F)c1cccc2c1OCC2 ZINC000132556677 591719423 /nfs/dbraw/zinc/71/94/23/591719423.db2.gz WQIAGUCYOOKHFM-UHFFFAOYSA-N -1 0 214.167 1.798 10 0 BDAERM C[C@H]1CC[C@@H](C(=O)[N-]OC2CCCC2)O1 ZINC000135137801 591991772 /nfs/dbraw/zinc/99/17/72/591991772.db2.gz CAJDHDTZNGBLLF-WPRPVWTQSA-N -1 0 213.277 1.544 10 0 BDAERM CCCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000217663568 592148611 /nfs/dbraw/zinc/14/86/11/592148611.db2.gz UVSLKKNTTQEAPG-MRVPVSSYSA-N -1 0 247.291 1.391 10 0 BDAERM O=C(c1ccccc1)N1CCC[C@H]1c1nnn[n-]1 ZINC000095167566 635430324 /nfs/dbraw/zinc/43/03/24/635430324.db2.gz AAGQPWUDTKSFTN-JTQLQIEISA-N -1 0 243.270 1.177 10 0 BDAERM Cn1c2c(cccc2C(=O)[O-])[nH]c1=S ZINC000075952293 631284016 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592202988 /nfs/dbraw/zinc/20/29/88/592202988.db2.gz PDPFATUBDRTTHH-PSASIEDQSA-N -1 0 240.303 1.291 10 0 BDAERM Cc1nc([C@]2(C(=O)[O-])CCCO2)cs1 ZINC000725262307 631791952 /nfs/dbraw/zinc/79/19/52/631791952.db2.gz RXZMUEBVVFNVKE-VIFPVBQESA-N -1 0 213.258 1.542 10 0 BDAERM C[C@H]1CN(c2nccc3occc32)C[C@@H]1C(=O)[O-] ZINC000235725686 632820802 /nfs/dbraw/zinc/82/08/02/632820802.db2.gz HHUWBXZRGJCGQO-WPRPVWTQSA-N -1 0 246.266 1.985 10 0 BDAERM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000163294786 633053534 /nfs/dbraw/zinc/05/35/34/633053534.db2.gz SIIXWRSNAXLAOJ-ZETCQYMHSA-N -1 0 234.255 1.764 10 0 BDAERM C[C@@H]1CC[C@@H](c2ncc(C(=O)[O-])c(=O)[nH]2)O1 ZINC000398291263 634320464 /nfs/dbraw/zinc/32/04/64/634320464.db2.gz BATIDBWMAGRTNA-VDTYLAMSSA-N -1 0 224.216 1.120 10 0 BDAERM C[C@@H](O)[C@@H](C)N=c1[n-]c(C(F)(F)F)cs1 ZINC000336748844 635259251 /nfs/dbraw/zinc/25/92/51/635259251.db2.gz DAEZBGDEAWLILK-RFZPGFLSSA-N -1 0 240.250 1.765 10 0 BDAERM CCN(CC(C)C)c1ccc(C(=O)[O-])nn1 ZINC000037461934 711466985 /nfs/dbraw/zinc/46/69/85/711466985.db2.gz YRDIUACRRRFDQY-UHFFFAOYSA-N -1 0 223.276 1.657 10 0 BDAERM CC(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000223538490 640576529 /nfs/dbraw/zinc/57/65/29/640576529.db2.gz FVGKWHFTWRUNCN-ZCFIWIBFSA-N -1 0 237.202 1.326 10 0 BDAERM CC[C@](C)(NC(=O)c1cnc(C)s1)C(=O)[O-] ZINC000224752709 640637633 /nfs/dbraw/zinc/63/76/33/640637633.db2.gz LQFHTPRIGBDZJR-JTQLQIEISA-N -1 0 242.300 1.435 10 0 BDAERM CC(C)OC(=O)NCC(C)(C)C(=O)[O-] ZINC000167893181 640758810 /nfs/dbraw/zinc/75/88/10/640758810.db2.gz NDVJYYBWDORGJT-UHFFFAOYSA-N -1 0 203.238 1.232 10 0 BDAERM CC(C)OC(=O)NCC1(C(=O)[O-])CCC1 ZINC000168400746 640803620 /nfs/dbraw/zinc/80/36/20/640803620.db2.gz CJENZVUFUIYSEY-UHFFFAOYSA-N -1 0 215.249 1.376 10 0 BDAERM COc1cc(C(=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000169278691 640847114 /nfs/dbraw/zinc/84/71/14/640847114.db2.gz BCHVQOFFAGCCCR-UHFFFAOYSA-N -1 0 231.591 1.955 10 0 BDAERM O=C1CC[C@@H](c2ccc([S@](=O)[O-])cc2)N1 ZINC000675062059 640946589 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