smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1C(=O)C(=CNc2cc(C)ccc2OC)C(=O)[N-]C1=S ZINC000060861862 441260020 /nfs/dbraw/zinc/26/00/20/441260020.db2.gz CUMFHZVNVXQQFT-LUAWRHEFSA-N -1 1 349.412 1.189 20 10 EDCDMM CCOc1ccc(NC=C2C(=O)[N-]C(=S)N(CCOC)C2=O)cc1 ZINC000060860874 441260076 /nfs/dbraw/zinc/26/00/76/441260076.db2.gz CQGGNOXPLYFOFY-RAXLEYEMSA-N -1 1 349.412 1.271 20 10 EDCDMM COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277632099 444016636 /nfs/dbraw/zinc/01/66/36/444016636.db2.gz XFVXOBMSTGUWIX-IUCAKERBSA-N -1 1 328.162 1.580 20 10 EDCDMM COc1c([O-])c(CN2CCS(=O)(=O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278207426 444117886 /nfs/dbraw/zinc/11/78/86/444117886.db2.gz JTKFDACOHNUXJX-UHFFFAOYSA-N -1 1 344.389 1.318 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3OCC(=O)N[C@@H]3C2)c1[O-] ZINC000366758117 446337007 /nfs/dbraw/zinc/33/70/07/446337007.db2.gz OGJCDOPSQLGPDE-KGLIPLIRSA-N -1 1 338.791 1.338 20 10 EDCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cn1 ZINC000758168562 579976067 /nfs/dbraw/zinc/97/60/67/579976067.db2.gz CGWRHEKIMHDLQA-UHFFFAOYSA-N -1 1 326.305 1.514 20 10 EDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1COCCO1 ZINC000764765928 580128296 /nfs/dbraw/zinc/12/82/96/580128296.db2.gz WWIPEKQXNWRTPO-JTQLQIEISA-N -1 1 345.193 1.369 20 10 EDCDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773751014 580345356 /nfs/dbraw/zinc/34/53/56/580345356.db2.gz ZHOCZSXMSBNGLY-MRVPVSSYSA-N -1 1 349.412 1.985 20 10 EDCDMM CCC[C@H](C)N1C[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1=O ZINC000783094961 580593129 /nfs/dbraw/zinc/59/31/29/580593129.db2.gz USVUDSPCNNIADQ-AAEUAGOBSA-N -1 1 349.383 1.861 20 10 EDCDMM O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1c(F)ccc(O)c1[O-] ZINC000789980855 593163434 /nfs/dbraw/zinc/16/34/34/593163434.db2.gz RSJREZAPDPPZML-LLVKDONJSA-N -1 1 348.305 1.911 20 10 EDCDMM COc1ccc(O)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821837608 593951330 /nfs/dbraw/zinc/95/13/30/593951330.db2.gz DYJWELWQHPFERJ-UHFFFAOYSA-N -1 1 343.303 1.496 20 10 EDCDMM COc1ccc(O)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821837608 593951333 /nfs/dbraw/zinc/95/13/33/593951333.db2.gz DYJWELWQHPFERJ-UHFFFAOYSA-N -1 1 343.303 1.496 20 10 EDCDMM Cn1nc(C2CC2)nc1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000829922860 594292971 /nfs/dbraw/zinc/29/29/71/594292971.db2.gz VVECPWWEHJWFLU-UHFFFAOYSA-N -1 1 331.328 1.072 20 10 EDCDMM C[C@@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])CS(C)(=O)=O ZINC000827449025 594673057 /nfs/dbraw/zinc/67/30/57/594673057.db2.gz GQEPIWPBBYAREV-JTQLQIEISA-N -1 1 349.836 1.613 20 10 EDCDMM C[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])CS(C)(=O)=O ZINC000827449025 594673058 /nfs/dbraw/zinc/67/30/58/594673058.db2.gz GQEPIWPBBYAREV-JTQLQIEISA-N -1 1 349.836 1.613 20 10 EDCDMM O=C([O-])NCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000832397352 594747423 /nfs/dbraw/zinc/74/74/23/594747423.db2.gz SPLYMNPKEIUTLN-GFCCVEGCSA-N -1 1 341.795 1.394 20 10 EDCDMM Cc1nnc(CC(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC000834475690 595135198 /nfs/dbraw/zinc/13/51/98/595135198.db2.gz AIXBTTKPWHTOGC-UHFFFAOYSA-N -1 1 325.166 1.440 20 10 EDCDMM COc1c([O-])c(CNCc2nnn(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000848923328 595468024 /nfs/dbraw/zinc/46/80/24/595468024.db2.gz JGPBQRIUBQGMEG-UHFFFAOYSA-N -1 1 336.352 1.340 20 10 EDCDMM Cc1cc(Br)c([O-])c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000848926092 595468514 /nfs/dbraw/zinc/46/85/14/595468514.db2.gz LDTZGMAMQDOQAS-QWHCGFSZSA-N -1 1 341.249 1.714 20 10 EDCDMM COCCN1C(=O)C(=CNc2cccc(C(C)=O)c2)C(=O)[N-]C1=S ZINC000920975954 697501066 /nfs/dbraw/zinc/50/10/66/697501066.db2.gz DNHJERSNSNWNEP-UKTHLTGXSA-N -1 1 347.396 1.075 20 10 EDCDMM COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1O ZINC000069216908 710598479 /nfs/dbraw/zinc/59/84/79/710598479.db2.gz GFLAXFYXPVAYAT-UHFFFAOYSA-N -1 1 325.324 1.567 20 10 EDCDMM CC(C)CN1C(=O)C(=CNc2cccc([N+](=O)[O-])c2)C(=O)[N-]C1=S ZINC000060860876 441259781 /nfs/dbraw/zinc/25/97/81/441259781.db2.gz PKWBKUMIECUBEO-GHXNOFRVSA-N -1 1 348.384 1.790 20 10 EDCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1CC(F)(F)F ZINC000276612257 443764798 /nfs/dbraw/zinc/76/47/98/443764798.db2.gz STXOZIVDOWBKNP-QMMMGPOBSA-N -1 1 336.285 1.946 20 10 EDCDMM CN(C)S(=O)(=O)C[C@H](NCc1cccc(F)c1[O-])C(F)(F)F ZINC000289373331 444122158 /nfs/dbraw/zinc/12/21/58/444122158.db2.gz LTLLWKYHFURQCF-JTQLQIEISA-N -1 1 344.330 1.443 20 10 EDCDMM CS(=O)(=O)CC1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295754887 444192313 /nfs/dbraw/zinc/19/23/13/444192313.db2.gz HUJZEOOJRWQDDT-UHFFFAOYSA-N -1 1 345.392 1.570 20 10 EDCDMM COc1c([O-])c(CN2CCO[C@@H](COC(C)C)C2)ccc1[N+](=O)[O-] ZINC000365821465 446356173 /nfs/dbraw/zinc/35/61/73/446356173.db2.gz KVGPYVJQSULQMO-CYBMUJFWSA-N -1 1 340.376 1.935 20 10 EDCDMM CC1(CNC(=O)NCc2cccc(Br)c2[O-])COC1 ZINC000277608278 486066563 /nfs/dbraw/zinc/06/65/63/486066563.db2.gz VQOFGLYAASNOQG-UHFFFAOYSA-N -1 1 329.194 1.990 20 10 EDCDMM Cc1ccc(O)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000753466897 579880872 /nfs/dbraw/zinc/88/08/72/579880872.db2.gz WSVGOVCVRWYMGJ-UHFFFAOYSA-N -1 1 337.357 1.425 20 10 EDCDMM Cc1ccc(C)n1-c1ccsc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765458619 580142910 /nfs/dbraw/zinc/14/29/10/580142910.db2.gz JXOMZSKYJVKZRB-UHFFFAOYSA-N -1 1 332.385 1.934 20 10 EDCDMM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1cccc2nonc21 ZINC000765648460 580147271 /nfs/dbraw/zinc/14/72/71/580147271.db2.gz KTZMNVDTRDTCIP-UHFFFAOYSA-N -1 1 342.340 1.809 20 10 EDCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2n[nH]nc2c1 ZINC000765727816 580150118 /nfs/dbraw/zinc/15/01/18/580150118.db2.gz OZHUJTFTWFJQPX-UHFFFAOYSA-N -1 1 348.160 1.751 20 10 EDCDMM C[C@@H]1CCN(S(=O)(=O)NCc2cccc(Br)c2[O-])C1 ZINC000766199849 580161658 /nfs/dbraw/zinc/16/16/58/580161658.db2.gz JXEVQEHRYPGREW-SECBINFHSA-N -1 1 349.250 1.831 20 10 EDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2C(N)=O)c1 ZINC000769630932 580241819 /nfs/dbraw/zinc/24/18/19/580241819.db2.gz OIFWCVROFJUDPS-UHFFFAOYSA-N -1 1 349.368 1.115 20 10 EDCDMM Cc1ocnc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771726589 580292612 /nfs/dbraw/zinc/29/26/12/580292612.db2.gz QCIIHPKDUDZECU-UHFFFAOYSA-N -1 1 336.329 1.777 20 10 EDCDMM COc1c([O-])c(CN(CC(N)=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000774883232 580376466 /nfs/dbraw/zinc/37/64/66/580376466.db2.gz CGXCIDDQWINFPY-UHFFFAOYSA-N -1 1 345.355 1.797 20 10 EDCDMM O=C(COC(=O)[C@@H]1CCCN1c1ncccn1)c1ccc([O-])c(O)c1 ZINC000782672905 580582242 /nfs/dbraw/zinc/58/22/42/580582242.db2.gz RKWWCJUBYWQYKT-LBPRGKRZSA-N -1 1 343.339 1.283 20 10 EDCDMM CCCc1[nH]nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1[N+](=O)[O-] ZINC000796261850 580949439 /nfs/dbraw/zinc/94/94/39/580949439.db2.gz ZPENDIMBABUWHM-UHFFFAOYSA-N -1 1 349.299 1.721 20 10 EDCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@]12CCC(=O)N1CCS2 ZINC000890758145 590747710 /nfs/dbraw/zinc/74/77/10/590747710.db2.gz RSKQVGMWPSTYRL-AWEZNQCLSA-N -1 1 326.805 1.727 20 10 EDCDMM O=C(NCCC(=O)N1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000891735968 591203635 /nfs/dbraw/zinc/20/36/35/591203635.db2.gz OFPOQSSFQBKPJI-UHFFFAOYSA-N -1 1 341.795 1.094 20 10 EDCDMM C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cc(Br)ccc1O ZINC000908171458 592359386 /nfs/dbraw/zinc/35/93/86/592359386.db2.gz YJTSELPVTVEHFF-FZMZJTMJSA-N -1 1 343.221 1.226 20 10 EDCDMM O=C(NC[C@H](O)COc1ccc(F)cc1)c1c(F)ccc(O)c1[O-] ZINC000789995192 593163769 /nfs/dbraw/zinc/16/37/69/593163769.db2.gz GFNBWDQZISFKDZ-JTQLQIEISA-N -1 1 339.294 1.546 20 10 EDCDMM O=C(NCc1cccc(Br)c1[O-])C1=CCS(=O)(=O)C1 ZINC000822459221 594051894 /nfs/dbraw/zinc/05/18/94/594051894.db2.gz QQHQSYRBWFPYNY-UHFFFAOYSA-N -1 1 346.202 1.126 20 10 EDCDMM O=C(Nc1n[n-]c(C2=S=CC=C2)n1)c1ccnn1C1CCOCC1 ZINC000825779927 594244796 /nfs/dbraw/zinc/24/47/96/594244796.db2.gz RWYSLPYGBZMYRJ-UHFFFAOYSA-N -1 1 344.400 1.231 20 10 EDCDMM O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1ccnn1C1CCOCC1 ZINC000825779927 594244798 /nfs/dbraw/zinc/24/47/98/594244798.db2.gz RWYSLPYGBZMYRJ-UHFFFAOYSA-N -1 1 344.400 1.231 20 10 EDCDMM CC(=O)c1cc(F)cc(C[N@H+](CC(=O)[O-])C2CCOCC2)c1[O-] ZINC000825946673 594288318 /nfs/dbraw/zinc/28/83/18/594288318.db2.gz KJFNXMNHGZNVRD-UHFFFAOYSA-N -1 1 325.336 1.800 20 10 EDCDMM CC(=O)c1cc(F)cc(C[N@@H+](CC(=O)[O-])C2CCOCC2)c1[O-] ZINC000825946673 594288319 /nfs/dbraw/zinc/28/83/19/594288319.db2.gz KJFNXMNHGZNVRD-UHFFFAOYSA-N -1 1 325.336 1.800 20 10 EDCDMM CC(C)N(Cc1ccc(N(C)C)cc1)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833496247 594859125 /nfs/dbraw/zinc/85/91/25/594859125.db2.gz BLCXYFSKJYTEKW-HNNXBMFYSA-N -1 1 333.432 1.854 20 10 EDCDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000833623177 594889025 /nfs/dbraw/zinc/88/90/25/594889025.db2.gz RDIYLDUANYTJKW-PYEVWLCESA-N -1 1 334.372 1.118 20 10 EDCDMM Cn1ncc(S(=O)(=O)[N-]Cc2ccccc2O)c1C(F)(F)F ZINC000866828537 596369311 /nfs/dbraw/zinc/36/93/11/596369311.db2.gz AUURHWUKFOPVBC-UHFFFAOYSA-N -1 1 335.307 1.623 20 10 EDCDMM COC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000883519965 597785979 /nfs/dbraw/zinc/78/59/79/597785979.db2.gz JTJDFKVKTRKWCY-UHFFFAOYSA-N -1 1 346.177 1.604 20 10 EDCDMM COC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000883519965 597785981 /nfs/dbraw/zinc/78/59/81/597785981.db2.gz JTJDFKVKTRKWCY-UHFFFAOYSA-N -1 1 346.177 1.604 20 10 EDCDMM O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1c([O-])c(O)ccc1F ZINC000882558098 597992450 /nfs/dbraw/zinc/99/24/50/597992450.db2.gz OCLZHLPHJWRIAU-LURJTMIESA-N -1 1 333.184 1.525 20 10 EDCDMM C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739177313 602788454 /nfs/dbraw/zinc/78/84/54/602788454.db2.gz VYWRICSEVFRUDJ-CJNGLKHVSA-N -1 1 348.447 1.347 20 10 EDCDMM COC(=O)[C@H]1C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277632092 444016649 /nfs/dbraw/zinc/01/66/49/444016649.db2.gz XFVXOBMSTGUWIX-BDAKNGLRSA-N -1 1 328.162 1.580 20 10 EDCDMM CCC[C@]1(C)C(=O)NCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278368915 444146916 /nfs/dbraw/zinc/14/69/16/444146916.db2.gz KKOJUYFESUOXON-MRXNPFEDSA-N -1 1 337.376 1.800 20 10 EDCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cnn([C@H]2CCOC2)c1 ZINC000758168616 579976101 /nfs/dbraw/zinc/97/61/01/579976101.db2.gz DQGLPJIFLWDYBI-VIFPVBQESA-N -1 1 327.337 1.490 20 10 EDCDMM COc1c([O-])c(CN(C)[C@@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000774887714 580376569 /nfs/dbraw/zinc/37/65/69/580376569.db2.gz NERCLNQEXDTHJU-VIFPVBQESA-N -1 1 332.378 1.174 20 10 EDCDMM Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000776434200 580417212 /nfs/dbraw/zinc/41/72/12/580417212.db2.gz AFLXOFXIPHCDJW-UHFFFAOYSA-N -1 1 343.748 1.522 20 10 EDCDMM CC(C)(C)OC(=O)NCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782547847 580577313 /nfs/dbraw/zinc/57/73/13/580577313.db2.gz FDGQIYVIZZNLOO-UHFFFAOYSA-N -1 1 339.344 1.739 20 10 EDCDMM CCc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnc2ncnn21 ZINC000782749096 580584400 /nfs/dbraw/zinc/58/44/00/580584400.db2.gz NTOSDDWNSKAVGX-UHFFFAOYSA-N -1 1 342.311 1.138 20 10 EDCDMM COc1ncc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC000784811001 580629232 /nfs/dbraw/zinc/62/92/32/580629232.db2.gz 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ZINC000782571202 580578039 /nfs/dbraw/zinc/57/80/39/580578039.db2.gz HGLSBQLAYHADKH-UHFFFAOYSA-N -1 1 332.356 1.807 20 10 EDCDMM CN(CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)c1cccs1 ZINC000782725627 580583685 /nfs/dbraw/zinc/58/36/85/580583685.db2.gz CBMTZNMPJAZEOU-UHFFFAOYSA-N -1 1 349.364 1.657 20 10 EDCDMM COC(=O)N(C)CCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783502142 580600651 /nfs/dbraw/zinc/60/06/51/580600651.db2.gz IHNVZGWISCERSF-UHFFFAOYSA-N -1 1 325.317 1.302 20 10 EDCDMM COC(=O)[C@H]1CCC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784039382 580612480 /nfs/dbraw/zinc/61/24/80/580612480.db2.gz NEWJMVMVGCHQPS-RYUDHWBXSA-N -1 1 336.340 1.803 20 10 EDCDMM C[C@H](Oc1cccc(CO)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784350308 580619119 /nfs/dbraw/zinc/61/91/19/580619119.db2.gz ZCYQVPGEHCLRMD-NSHDSACASA-N -1 1 346.335 1.784 20 10 EDCDMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1O ZINC000797820461 580981724 /nfs/dbraw/zinc/98/17/24/580981724.db2.gz YQTOCAVPZAJKJW-UHFFFAOYSA-N -1 1 334.353 1.696 20 10 EDCDMM C[C@@H]1CN(CCNC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000892600118 591088050 /nfs/dbraw/zinc/08/80/50/591088050.db2.gz PCVMGGCOZIBKHC-LLVKDONJSA-N -1 1 327.812 1.566 20 10 EDCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCS(=O)(=O)C1 ZINC000893992179 591156979 /nfs/dbraw/zinc/15/69/79/591156979.db2.gz YURTVRJFKMSUEG-JTQLQIEISA-N -1 1 332.809 1.422 20 10 EDCDMM C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CS1(=O)=O ZINC000895765049 591268122 /nfs/dbraw/zinc/26/81/22/591268122.db2.gz LPKLFCFTYRKGRI-GXSJLCMTSA-N -1 1 346.836 1.811 20 10 EDCDMM COc1cc(Cl)cc(CN2CCC(O)(COCCO)CC2)c1O ZINC000895830575 591284356 /nfs/dbraw/zinc/28/43/56/591284356.db2.gz XZYAEHNEPJWBDI-UHFFFAOYSA-N -1 1 345.823 1.390 20 10 EDCDMM CCN1CCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1=O ZINC000896640894 591564836 /nfs/dbraw/zinc/56/48/36/591564836.db2.gz SMXZWJYLIXURPB-LBPRGKRZSA-N -1 1 325.796 1.856 20 10 EDCDMM O=C(NC[C@H]1CCC2(CCOCC2)O1)c1c(F)ccc(O)c1[O-] ZINC000900690500 592095870 /nfs/dbraw/zinc/09/58/70/592095870.db2.gz 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ZINC000874197463 596964470 /nfs/dbraw/zinc/96/44/70/596964470.db2.gz WSHAULFUHHPVSK-ZDUSSCGKSA-N -1 1 344.419 1.236 20 10 EDCDMM COCCN1C(=O)C(=CNc2ccc(F)cc2F)C(=O)[N-]C1=S ZINC000920975289 697500929 /nfs/dbraw/zinc/50/09/29/697500929.db2.gz CAPJCFLQVPXSLF-VQHVLOKHSA-N -1 1 341.339 1.150 20 10 EDCDMM COCCn1c(C)c(C)c2cc(C(=O)NN3CC(=O)[N-]C3=O)ccc21 ZINC000264035450 443246756 /nfs/dbraw/zinc/24/67/56/443246756.db2.gz NZZHRZMQYYOJAF-UHFFFAOYSA-N -1 1 344.371 1.101 20 10 EDCDMM O=C([N-]C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1)C(F)(F)F ZINC000291019165 443733956 /nfs/dbraw/zinc/73/39/56/443733956.db2.gz DGYYMTSZBPJZTP-VIFPVBQESA-N -1 1 346.305 1.629 20 10 EDCDMM CCN(C)C(=O)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277585108 444010666 /nfs/dbraw/zinc/01/06/66/444010666.db2.gz SVOKXQQJPZTEQB-UHFFFAOYSA-N -1 1 344.209 1.432 20 10 EDCDMM CSCC[C@H](O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277626635 444015326 /nfs/dbraw/zinc/01/53/26/444015326.db2.gz WUMVEAYMQCAPCT-JTQLQIEISA-N -1 1 334.235 1.885 20 10 EDCDMM O=C(NCCOCC(F)(F)C(F)F)c1c(F)ccc(O)c1[O-] ZINC000296577789 444239612 /nfs/dbraw/zinc/23/96/12/444239612.db2.gz DQMXCRQQRMBKBG-UHFFFAOYSA-N -1 1 329.221 1.884 20 10 EDCDMM COc1ccc2c(c1)c1c(n2CC(=O)Nc2nnn[n-]2)CCCC1 ZINC000651353861 453498120 /nfs/dbraw/zinc/49/81/20/453498120.db2.gz ZRCJZQOOPVAZFW-UHFFFAOYSA-N -1 1 326.360 1.681 20 10 EDCDMM COc1ccc2c(c1)c1c(n2CC(=O)Nc2nn[n-]n2)CCCC1 ZINC000651353861 453498129 /nfs/dbraw/zinc/49/81/29/453498129.db2.gz ZRCJZQOOPVAZFW-UHFFFAOYSA-N -1 1 326.360 1.681 20 10 EDCDMM CC(=O)NC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1 ZINC000177199603 526796265 /nfs/dbraw/zinc/79/62/65/526796265.db2.gz DUAZVCIQPGAQLS-AWEZNQCLSA-N -1 1 340.807 1.585 20 10 EDCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cnccn3)no2)c1 ZINC000758291257 579979084 /nfs/dbraw/zinc/97/90/84/579979084.db2.gz VDAAQSKVKOEQBM-UHFFFAOYSA-N -1 1 333.329 1.271 20 10 EDCDMM O=C(NCCn1cccn1)NCc1cccc(Br)c1[O-] ZINC000764790913 580128799 /nfs/dbraw/zinc/12/87/99/580128799.db2.gz KLYZNLYZSLZFGB-UHFFFAOYSA-N -1 1 339.193 1.851 20 10 EDCDMM CN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765764612 580150685 /nfs/dbraw/zinc/15/06/85/580150685.db2.gz MURXCOULROKCGS-SNVBAGLBSA-N -1 1 327.178 1.392 20 10 EDCDMM COc1c([O-])c(CN2CCN(C(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774836637 580375356 /nfs/dbraw/zinc/37/53/56/580375356.db2.gz UCRMAYNMORYBHV-UHFFFAOYSA-N -1 1 338.364 1.108 20 10 EDCDMM NC(=O)COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782179893 580568782 /nfs/dbraw/zinc/56/87/82/580568782.db2.gz RBGPVZPPSYMUAX-UHFFFAOYSA-N -1 1 345.307 1.002 20 10 EDCDMM NC(=O)COc1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782576708 580578258 /nfs/dbraw/zinc/57/82/58/580578258.db2.gz XVZCNALKOKGAKN-UHFFFAOYSA-N -1 1 345.307 1.002 20 10 EDCDMM COC[C@@H](NCc1cc(C)cc(Br)c1[O-])C(=O)OC ZINC000789576144 580749762 /nfs/dbraw/zinc/74/97/62/580749762.db2.gz OFIRPYZSJNEVFD-LLVKDONJSA-N -1 1 332.194 1.741 20 10 EDCDMM COc1ccc(C(=O)NCCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789958410 580757903 /nfs/dbraw/zinc/75/79/03/580757903.db2.gz FKRJPIJRVQDGIJ-UHFFFAOYSA-N -1 1 348.330 1.405 20 10 EDCDMM CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@]2(CCOC2)O1 ZINC000794700803 580903432 /nfs/dbraw/zinc/90/34/32/580903432.db2.gz HTBVHFCEBMOPKZ-SKDZVZGDSA-N -1 1 335.400 1.588 20 10 EDCDMM CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000898548972 591406312 /nfs/dbraw/zinc/40/63/12/591406312.db2.gz UJOGKJCYWYTRSH-UFBFGSQYSA-N -1 1 329.299 1.600 20 10 EDCDMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(Cl)c1O ZINC000908326889 592461950 /nfs/dbraw/zinc/46/19/50/592461950.db2.gz FGRBOYJHIWBUIT-GOSISDBHSA-N -1 1 326.827 1.498 20 10 EDCDMM COC(=O)C1(CS(=O)(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000908330071 592463210 /nfs/dbraw/zinc/46/32/10/592463210.db2.gz WWGKYNRZDJVYJW-UHFFFAOYSA-N -1 1 347.820 1.808 20 10 EDCDMM CCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nn1C ZINC000817691392 593623745 /nfs/dbraw/zinc/62/37/45/593623745.db2.gz XVVXUZBEXSYTSC-UHFFFAOYSA-N -1 1 338.389 1.312 20 10 EDCDMM CC(=O)NCC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)C(=O)[O-] ZINC000819770114 593768024 /nfs/dbraw/zinc/76/80/24/593768024.db2.gz HQZLHCHISOSHCD-SECBINFHSA-N -1 1 340.351 1.145 20 10 EDCDMM CC(=O)NCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)C(=O)[O-] ZINC000819770114 593768025 /nfs/dbraw/zinc/76/80/25/593768025.db2.gz HQZLHCHISOSHCD-SECBINFHSA-N -1 1 340.351 1.145 20 10 EDCDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000841393543 594892915 /nfs/dbraw/zinc/89/29/15/594892915.db2.gz DVNCPKPIUGWFHU-UHFFFAOYSA-N -1 1 332.360 1.201 20 10 EDCDMM CC(C)[C@H]1CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CCCO1 ZINC000851709464 595892794 /nfs/dbraw/zinc/89/27/94/595892794.db2.gz YZYNMNZSXQRFDG-CYBMUJFWSA-N -1 1 334.376 1.380 20 10 EDCDMM COCCN1C(=O)C(=CNc2ccc(F)cc2C)C(=O)[N-]C1=S ZINC000060864149 441259735 /nfs/dbraw/zinc/25/97/35/441259735.db2.gz YHVMOPQWOJGFTO-FLIBITNWSA-N -1 1 337.376 1.320 20 10 EDCDMM COCCN1C(=O)C(=CNc2ccc3c(c2)CCC3)C(=O)[N-]C1=S ZINC000060863549 441260369 /nfs/dbraw/zinc/26/03/69/441260369.db2.gz OQTUZEJCTUIZBT-UVTDQMKNSA-N -1 1 345.424 1.361 20 10 EDCDMM CCC[C@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC000273206054 443563255 /nfs/dbraw/zinc/56/32/55/443563255.db2.gz UFRHTQXETVPGME-INIZCTEOSA-N -1 1 349.431 1.187 20 10 EDCDMM Cc1cc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)on1 ZINC000276504795 443726305 /nfs/dbraw/zinc/72/63/05/443726305.db2.gz IHDRGNQDVJOAGB-UHFFFAOYSA-N -1 1 335.335 1.491 20 10 EDCDMM CCn1cnnc1[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276589667 443758159 /nfs/dbraw/zinc/75/81/59/443758159.db2.gz PVOQKWNQMPJGGD-SNVBAGLBSA-N -1 1 334.351 1.868 20 10 EDCDMM CC(C)(C[C@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1)C(N)=O ZINC000295769505 444192573 /nfs/dbraw/zinc/19/25/73/444192573.db2.gz YLDJTGSSXDRRMG-SNVBAGLBSA-N -1 1 338.379 1.991 20 10 EDCDMM COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc1 ZINC000743716831 579489542 /nfs/dbraw/zinc/48/95/42/579489542.db2.gz MFQKANNDSJGSMG-UHFFFAOYSA-N -1 1 337.357 1.420 20 10 EDCDMM COC(=O)c1ccc([O-])c([C@H]2NC(=O)CN2Cc2ccccc2)c1 ZINC000732818572 578731915 /nfs/dbraw/zinc/73/19/15/578731915.db2.gz HAKPNVFKYOAUSN-KRWDZBQOSA-N -1 1 326.352 1.809 20 10 EDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)[nH]n2)c1 ZINC000763233269 580095902 /nfs/dbraw/zinc/09/59/02/580095902.db2.gz PDHBOWDOIKKUDX-UHFFFAOYSA-N -1 1 330.753 1.393 20 10 EDCDMM O=C(NCc1cc[nH]n1)NCc1cccc(Br)c1[O-] ZINC000764788641 580128851 /nfs/dbraw/zinc/12/88/51/580128851.db2.gz BHAOMSFGNOGLAC-UHFFFAOYSA-N -1 1 325.166 1.877 20 10 EDCDMM CCNC(=O)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000765454270 580142787 /nfs/dbraw/zinc/14/27/87/580142787.db2.gz UVRGTJAXBIKJLB-UHFFFAOYSA-N -1 1 330.182 1.090 20 10 EDCDMM O=C(COC[C@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000765746085 580150519 /nfs/dbraw/zinc/15/05/19/580150519.db2.gz DFQGFNIMWWHKPR-LLVKDONJSA-N -1 1 344.205 1.967 20 10 EDCDMM Cc1cc(Br)c([O-])c(CN2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000781909985 580560058 /nfs/dbraw/zinc/56/00/58/580560058.db2.gz SGKFCYBNGQDILO-LLVKDONJSA-N -1 1 340.221 1.673 20 10 EDCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N1CCSCC1 ZINC000784346696 580619009 /nfs/dbraw/zinc/61/90/09/580619009.db2.gz HIPOOFCJCLZQBX-JTQLQIEISA-N -1 1 325.386 1.261 20 10 EDCDMM COc1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c(O)c1 ZINC000794387585 580890014 /nfs/dbraw/zinc/89/00/14/580890014.db2.gz LQYIIMMCOGJEAQ-UHFFFAOYSA-N -1 1 335.385 1.857 20 10 EDCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CN(c2ccncn2)C1 ZINC000896140005 591360814 /nfs/dbraw/zinc/36/08/14/591360814.db2.gz DVDPAOODRJZOBZ-UHFFFAOYSA-N -1 1 333.779 1.524 20 10 EDCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCS(=O)(=O)C1 ZINC000894852002 591443377 /nfs/dbraw/zinc/44/33/77/591443377.db2.gz RFYHROOKSZPCSF-JTQLQIEISA-N -1 1 346.836 1.670 20 10 EDCDMM Cn1cc(NC(=O)NCc2cccc(Br)c2[O-])nn1 ZINC000813009851 593514229 /nfs/dbraw/zinc/51/42/29/593514229.db2.gz YNVZUPQPPNLTCV-UHFFFAOYSA-N -1 1 326.154 1.605 20 10 EDCDMM COc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1O ZINC000821868762 593957306 /nfs/dbraw/zinc/95/73/06/593957306.db2.gz VHPXRELOGGHVNJ-UHFFFAOYSA-N -1 1 343.303 1.496 20 10 EDCDMM COc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1O ZINC000821868762 593957309 /nfs/dbraw/zinc/95/73/09/593957309.db2.gz VHPXRELOGGHVNJ-UHFFFAOYSA-N -1 1 343.303 1.496 20 10 EDCDMM CCN(C)c1ccc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC000821165403 593981249 /nfs/dbraw/zinc/98/12/49/593981249.db2.gz RAWVVUGCDZHXAS-UHFFFAOYSA-N -1 1 339.403 1.545 20 10 EDCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000822210726 594011044 /nfs/dbraw/zinc/01/10/44/594011044.db2.gz OUFFTAHEHXMBBX-UHFFFAOYSA-N -1 1 345.384 1.990 20 10 EDCDMM CCN(CCC(F)(F)F)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846243155 595185100 /nfs/dbraw/zinc/18/51/00/595185100.db2.gz BZPWOJMSSUARBN-UHFFFAOYSA-N -1 1 332.282 1.907 20 10 EDCDMM COc1ccc(O)c(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000114512458 596043621 /nfs/dbraw/zinc/04/36/21/596043621.db2.gz AEYRVYSTWIHXJO-UHFFFAOYSA-N -1 1 325.324 1.567 20 10 EDCDMM CC(C)(C)c1nnc2n1CCN(C(=O)c1c(F)ccc(O)c1[O-])C2 ZINC000857338554 596215607 /nfs/dbraw/zinc/21/56/07/596215607.db2.gz MRIQDTCSACJDCV-UHFFFAOYSA-N -1 1 334.351 1.782 20 10 EDCDMM O=C([O-])CN1CC[C@@H](N(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O ZINC000852725393 596233474 /nfs/dbraw/zinc/23/34/74/596233474.db2.gz DCOVRFAPASPWEJ-LSDHHAIUSA-N -1 1 348.399 1.059 20 10 EDCDMM COc1ccc(N2CCCN(Cc3cc(C(=O)[O-])nn3C)CC2)cc1 ZINC000874037179 596903159 /nfs/dbraw/zinc/90/31/59/596903159.db2.gz SNJQCUZTGIGROM-UHFFFAOYSA-N -1 1 344.415 1.839 20 10 EDCDMM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000152979071 695467600 /nfs/dbraw/zinc/46/76/00/695467600.db2.gz HMCKLHGJCFXFPA-JTQLQIEISA-N -1 1 339.351 1.695 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)[C@@H](C)O)CC2)c1[O-] ZINC000153192147 695568304 /nfs/dbraw/zinc/56/83/04/695568304.db2.gz XMOMYSWCDYZWDA-LLVKDONJSA-N -1 1 340.807 1.273 20 10 EDCDMM CN1CCO[C@@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]21 ZINC000284435358 290086397 /nfs/dbraw/zinc/08/63/97/290086397.db2.gz SHVXQTNGLCNJIK-UONOGXRCSA-N -1 1 341.795 1.859 20 10 EDCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncccc1[O-] ZINC000171262168 442335067 /nfs/dbraw/zinc/33/50/67/442335067.db2.gz PBROLWYPJKIFQM-UHFFFAOYSA-N -1 1 345.374 1.817 20 10 EDCDMM CO[C@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000282517488 443361994 /nfs/dbraw/zinc/36/19/94/443361994.db2.gz LNWUJRNHZXUJQZ-MRVPVSSYSA-N -1 1 338.223 1.609 20 10 EDCDMM O=S(=O)(CCCF)NCc1cccc(Br)c1[O-] ZINC000277486554 443993334 /nfs/dbraw/zinc/99/33/34/443993334.db2.gz NFXIXGOZTLVKHT-UHFFFAOYSA-N -1 1 326.187 1.934 20 10 EDCDMM CS[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H]1[NH+]1CCCC1 ZINC000294885680 444154710 /nfs/dbraw/zinc/15/47/10/444154710.db2.gz GKKLDNGILPPYAZ-WCQYABFASA-N -1 1 340.420 1.889 20 10 EDCDMM COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000365774282 446337847 /nfs/dbraw/zinc/33/78/47/446337847.db2.gz DLIFLODIGMDBLX-PWSUYJOCSA-N -1 1 340.332 1.071 20 10 EDCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000743259667 579474302 /nfs/dbraw/zinc/47/43/02/579474302.db2.gz JGSORQWGMRGCSW-UHFFFAOYSA-N -1 1 345.384 1.692 20 10 EDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000732266634 578700835 /nfs/dbraw/zinc/70/08/35/578700835.db2.gz HGQSZERFGRXJRU-UHFFFAOYSA-N -1 1 346.368 1.892 20 10 EDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccncc32)c1 ZINC000755994626 579940402 /nfs/dbraw/zinc/94/04/02/579940402.db2.gz FGEONEJOVPDNFM-UHFFFAOYSA-N -1 1 333.369 1.362 20 10 EDCDMM O=C(CCCn1cncn1)NCc1cccc(Br)c1[O-] ZINC000765737707 580150274 /nfs/dbraw/zinc/15/02/74/580150274.db2.gz WIIOIIRVEDBQLM-UHFFFAOYSA-N -1 1 339.193 1.843 20 10 EDCDMM O=C(CN1CCCCCCC1=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783008626 580591470 /nfs/dbraw/zinc/59/14/70/580591470.db2.gz CNSVVOSAXLUPFD-UHFFFAOYSA-N -1 1 335.356 1.616 20 10 EDCDMM C[C@H](CN1CCOCC1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000891897298 590678410 /nfs/dbraw/zinc/67/84/10/590678410.db2.gz 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CN(C)c1ccc(CN(C)C(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000833695050 594908702 /nfs/dbraw/zinc/90/87/02/594908702.db2.gz HOSNXZXMIYQTIM-SFHVURJKSA-N -1 1 333.432 1.554 20 10 EDCDMM CC(C)CN1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)[N-]C1=S ZINC000920974507 697500689 /nfs/dbraw/zinc/50/06/89/697500689.db2.gz OFOXVMQSKMXNFB-KPKJPENVSA-N -1 1 348.384 1.790 20 10 EDCDMM CC(C)CN1C(=O)C(=CNc2ccc3cn[nH]c3c2)C(=O)[N-]C1=S ZINC000028969025 707164454 /nfs/dbraw/zinc/16/44/54/707164454.db2.gz NNSKIGTVUIRSLA-GHXNOFRVSA-N -1 1 343.412 1.758 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N2CCOCC2)c1[O-] ZINC000177281209 442324571 /nfs/dbraw/zinc/32/45/71/442324571.db2.gz VOSVPIIEEXEDIR-UHFFFAOYSA-N -1 1 340.807 1.539 20 10 EDCDMM CCn1cnnc1C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276654451 443779279 /nfs/dbraw/zinc/77/92/79/443779279.db2.gz XBFMPRZNYFOONA-UHFFFAOYSA-N -1 1 334.351 1.868 20 10 EDCDMM CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277537002 444003701 /nfs/dbraw/zinc/00/37/01/444003701.db2.gz MYYFHRUBHFXXAP-GFCCVEGCSA-N -1 1 341.205 1.782 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1[O-] ZINC000375781788 447042485 /nfs/dbraw/zinc/04/24/85/447042485.db2.gz APGGAPLHLGMEMX-IINYFYTJSA-N -1 1 343.832 1.867 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](NS(C)(=O)=O)C2)c1[O-] ZINC000177192302 527206435 /nfs/dbraw/zinc/20/64/35/527206435.db2.gz SSZFRXSBWLPTCW-LBPRGKRZSA-N -1 1 346.836 1.372 20 10 EDCDMM CN(C)c1ccc(CNC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739659542 579232141 /nfs/dbraw/zinc/23/21/41/579232141.db2.gz DKYXQMXSDACRJR-OAHLLOKOSA-N -1 1 348.447 1.301 20 10 EDCDMM Cn1cc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cn1 ZINC000761799682 580061954 /nfs/dbraw/zinc/06/19/54/580061954.db2.gz GONBFLJKMCKCIL-UHFFFAOYSA-N -1 1 349.372 1.138 20 10 EDCDMM C[C@]1(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCCO1 ZINC000763327792 580097762 /nfs/dbraw/zinc/09/77/62/580097762.db2.gz YLYRSQDNQUGFNT-CQSZACIVSA-N -1 1 339.373 1.839 20 10 EDCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000765770243 580150913 /nfs/dbraw/zinc/15/09/13/580150913.db2.gz MZHPAZGIUQLMMN-VIFPVBQESA-N -1 1 348.218 1.206 20 10 EDCDMM O=C(COC(=O)c1cnc2sccn2c1=O)c1ccc([O-])c(O)c1 ZINC000782566944 580577953 /nfs/dbraw/zinc/57/79/53/580577953.db2.gz UOQHEEDYZUPWIG-UHFFFAOYSA-N -1 1 346.320 1.207 20 10 EDCDMM C[C@H](Sc1ncccn1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783092424 580593049 /nfs/dbraw/zinc/59/30/49/580593049.db2.gz FREHYQRWTUBEQN-VIFPVBQESA-N -1 1 334.353 1.795 20 10 EDCDMM Cc1nn(C)c(C)c1[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783296353 580597818 /nfs/dbraw/zinc/59/78/18/580597818.db2.gz DZSDCYINOXRQGR-VIFPVBQESA-N -1 1 332.356 1.978 20 10 EDCDMM COC(=O)N[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)C ZINC000783659563 580603633 /nfs/dbraw/zinc/60/36/33/580603633.db2.gz OMBGIXRPSXYHSV-ZDUSSCGKSA-N -1 1 325.317 1.204 20 10 EDCDMM C[S@@](=O)c1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784782333 580628954 /nfs/dbraw/zinc/62/89/54/580628954.db2.gz CUPSCUMYZFZBNV-HSZRJFAPSA-N -1 1 334.349 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/nfs/dbraw/zinc/21/73/05/593217305.db2.gz YTVMVMGHKIYKFB-MRVPVSSYSA-N -1 1 329.349 1.215 20 10 EDCDMM Cc1cc(N2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)n[nH]1 ZINC000829868298 594279195 /nfs/dbraw/zinc/27/91/95/594279195.db2.gz DBDOVRUBGNVYCL-UHFFFAOYSA-N -1 1 334.351 1.667 20 10 EDCDMM O=C([O-])C[N@H+](CC[C@@H]1CCOC1=O)Cc1cc(Cl)ccc1[O-] ZINC000833248389 594813548 /nfs/dbraw/zinc/81/35/48/594813548.db2.gz OKYOBJQIDFRKKG-SNVBAGLBSA-N -1 1 327.764 1.885 20 10 EDCDMM O=C([O-])C[N@@H+](CC[C@@H]1CCOC1=O)Cc1cc(Cl)ccc1[O-] ZINC000833248389 594813550 /nfs/dbraw/zinc/81/35/50/594813550.db2.gz OKYOBJQIDFRKKG-SNVBAGLBSA-N -1 1 327.764 1.885 20 10 EDCDMM COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843435659 595110887 /nfs/dbraw/zinc/11/08/87/595110887.db2.gz XBLYBKQHFMTWMD-GXSJLCMTSA-N -1 1 344.751 1.310 20 10 EDCDMM CC(=O)NCC[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000842631894 595150353 /nfs/dbraw/zinc/15/03/53/595150353.db2.gz QEPVEVRMJMNFLI-UHFFFAOYSA-N -1 1 342.395 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CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cccnc3)no2)c1 ZINC000758291771 579979129 /nfs/dbraw/zinc/97/91/29/579979129.db2.gz PWLXISFYICHTHG-UHFFFAOYSA-N -1 1 332.341 1.876 20 10 EDCDMM O=C(NCc1cccc(Br)c1[O-])C1(O)CCOCC1 ZINC000765757033 580150717 /nfs/dbraw/zinc/15/07/17/580150717.db2.gz PTZIDELWPQMFTQ-UHFFFAOYSA-N -1 1 330.178 1.312 20 10 EDCDMM CC(C)(C)OC(=O)NCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783246736 580596481 /nfs/dbraw/zinc/59/64/81/580596481.db2.gz LYGBSUGRNBTBEK-UHFFFAOYSA-N -1 1 325.317 1.348 20 10 EDCDMM Cc1nn(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)c1Cl ZINC000783644835 580603280 /nfs/dbraw/zinc/60/32/80/580603280.db2.gz YQAIZULSHWIHDC-UHFFFAOYSA-N -1 1 338.747 1.991 20 10 EDCDMM Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784062644 580612949 /nfs/dbraw/zinc/61/29/49/580612949.db2.gz VJOYWSDNTNDIBL-UHFFFAOYSA-N -1 1 347.323 1.090 20 10 EDCDMM COC(=O)c1ccncc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784137018 580614279 /nfs/dbraw/zinc/61/42/79/580614279.db2.gz 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/nfs/dbraw/zinc/25/99/53/441259953.db2.gz DEIYXXNVTOQZJT-LCYFTJDESA-N -1 1 349.431 1.741 20 10 EDCDMM Cc1cc(NC(=O)CN2CCN(Cc3cccc(F)c3[O-])CC2)no1 ZINC000272227666 443561846 /nfs/dbraw/zinc/56/18/46/443561846.db2.gz DEEJUXMPVNOMDV-UHFFFAOYSA-N -1 1 348.378 1.584 20 10 EDCDMM CN1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000277392388 443975717 /nfs/dbraw/zinc/97/57/17/443975717.db2.gz JGCGHITXCZGPRL-VIFPVBQESA-N -1 1 342.193 1.185 20 10 EDCDMM CCCCC[C@@H](C)NC=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000299248959 520280195 /nfs/dbraw/zinc/28/01/95/520280195.db2.gz AOEQYXIZSPVPTN-JPQYHBGPSA-N -1 1 327.450 1.318 20 10 EDCDMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc(OC)ccc2O)c1 ZINC000754021902 579894099 /nfs/dbraw/zinc/89/40/99/579894099.db2.gz KKWQCNYCSIVFNF-UHFFFAOYSA-N -1 1 341.341 1.259 20 10 EDCDMM Cc1cnc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)nc1 ZINC000762217969 580069980 /nfs/dbraw/zinc/06/99/80/580069980.db2.gz FZYBSNIAJYBQPC-UHFFFAOYSA-N -1 1 347.356 1.579 20 10 EDCDMM O=C(CN1CCCNC1=O)NCc1cccc(Br)c1[O-] ZINC000765748638 580150556 /nfs/dbraw/zinc/15/05/56/580150556.db2.gz YRKOYCVNUFOWTC-UHFFFAOYSA-N -1 1 342.193 1.186 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](S(N)(=O)=O)C2)c1[O-] ZINC000772223973 580305471 /nfs/dbraw/zinc/30/54/71/580305471.db2.gz VRHYMHJEHGZHDO-NSHDSACASA-N -1 1 332.809 1.111 20 10 EDCDMM O=C(COC(=O)[C@H]1CCCN1c1ncccn1)c1ccc([O-])c(O)c1 ZINC000782672902 580582250 /nfs/dbraw/zinc/58/22/50/580582250.db2.gz RKWWCJUBYWQYKT-GFCCVEGCSA-N -1 1 343.339 1.283 20 10 EDCDMM Cc1cc2nc(C)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)n2n1 ZINC000783083598 580592915 /nfs/dbraw/zinc/59/29/15/580592915.db2.gz MQQJAFAEOIGMEG-UHFFFAOYSA-N -1 1 341.323 1.797 20 10 EDCDMM CN(C)C(=O)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783443182 580600072 /nfs/dbraw/zinc/60/00/72/580600072.db2.gz ZXPURXWGSCYIHZ-UHFFFAOYSA-N -1 1 343.335 1.839 20 10 EDCDMM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757416 590747677 /nfs/dbraw/zinc/74/76/77/590747677.db2.gz CRUZHIGVRZXJKY-LBPRGKRZSA-N -1 1 346.836 1.476 20 10 EDCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000890761762 590749518 /nfs/dbraw/zinc/74/95/18/590749518.db2.gz WZOCOPGFJWMPRK-DGCLKSJQSA-N -1 1 348.790 1.092 20 10 EDCDMM Cc1nc2n(n1)C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])CC2 ZINC000892694174 591134902 /nfs/dbraw/zinc/13/49/02/591134902.db2.gz IXOLOHSJTOUEEV-LLVKDONJSA-N -1 1 335.795 1.760 20 10 EDCDMM CCN1C[C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])CC1=O ZINC000895557766 591801082 /nfs/dbraw/zinc/80/10/82/591801082.db2.gz GLXJRSMTZAIOPW-SNVBAGLBSA-N -1 1 325.796 1.713 20 10 EDCDMM CN1CCC[C@@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911360172 593006065 /nfs/dbraw/zinc/00/60/65/593006065.db2.gz NFODUDSSPWONIY-GFCCVEGCSA-N -1 1 326.780 1.553 20 10 EDCDMM Cc1ncsc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000761606797 593418616 /nfs/dbraw/zinc/41/86/16/593418616.db2.gz GGPQUZSORLLZBX-UHFFFAOYSA-N -1 1 327.387 1.781 20 10 EDCDMM O=C(NCCN1C[C@H]2CCCCN2C1=O)c1c(F)ccc(O)c1[O-] ZINC000857331291 596213923 /nfs/dbraw/zinc/21/39/23/596213923.db2.gz CQFGKCSZBUMTCE-SNVBAGLBSA-N -1 1 337.351 1.257 20 10 EDCDMM O=C(COC(=O)c1ccc(-n2cnnn2)cc1)c1ccc([O-])c(O)c1 ZINC000916608956 696687232 /nfs/dbraw/zinc/68/72/32/696687232.db2.gz YYLNGCKFEQUFNM-UHFFFAOYSA-N -1 1 340.295 1.113 20 10 EDCDMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(C)n1-c1ccccn1 ZINC000183404433 442927540 /nfs/dbraw/zinc/92/75/40/442927540.db2.gz APFLJWRRWUWJKC-NSHDSACASA-N -1 1 339.403 1.878 20 10 EDCDMM CCO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C12CCOCC2 ZINC000294883888 444153825 /nfs/dbraw/zinc/15/38/25/444153825.db2.gz CFXCTQBYJJMCFX-STQMWFEESA-N -1 1 339.363 1.941 20 10 EDCDMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)n1-c1ccccn1 ZINC000765434665 580142457 /nfs/dbraw/zinc/14/24/57/580142457.db2.gz MQDNUTPMQPOUFK-UHFFFAOYSA-N -1 1 327.344 1.268 20 10 EDCDMM O=C(Cn1ccccc1=O)NCc1cccc(Br)c1[O-] ZINC000765736073 580150227 /nfs/dbraw/zinc/15/02/27/580150227.db2.gz KQQUSOGAHHWGFA-UHFFFAOYSA-N -1 1 337.173 1.633 20 10 EDCDMM CNC(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765735852 580150269 /nfs/dbraw/zinc/15/02/69/580150269.db2.gz IHDKYQAFBQODAG-UHFFFAOYSA-N -1 1 341.205 1.687 20 10 EDCDMM Cc1cc(C)cc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)c1 ZINC000769794574 580245193 /nfs/dbraw/zinc/24/51/93/580245193.db2.gz OASAZGOTWRDODP-UHFFFAOYSA-N -1 1 343.416 1.999 20 10 EDCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1O ZINC000776747881 580427659 /nfs/dbraw/zinc/42/76/59/580427659.db2.gz PSFMZXIRRHDVDY-UHFFFAOYSA-N -1 1 332.337 1.385 20 10 EDCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)n1cc([N+](=O)[O-])cn1 ZINC000783375738 580598945 /nfs/dbraw/zinc/59/89/45/580598945.db2.gz BNVJFTTXLUGCTF-UHFFFAOYSA-N -1 1 349.299 1.364 20 10 EDCDMM CN(CC(=O)OCC(=O)c1ccc([O-])c(O)c1)[C@@H]1CCSC1 ZINC000784467772 580621656 /nfs/dbraw/zinc/62/16/56/580621656.db2.gz MZOFDMGDIUMCAG-LLVKDONJSA-N -1 1 325.386 1.261 20 10 EDCDMM O=C(N[C@H]1CCN(c2ncccc2F)C1)c1c(F)ccc(O)c1[O-] ZINC000789991296 580758884 /nfs/dbraw/zinc/75/88/84/580758884.db2.gz ROVXSDJSWYXEHP-VIFPVBQESA-N -1 1 335.310 1.780 20 10 EDCDMM O=C(CN1CCCCS1(=O)=O)NCc1cccc(Cl)c1[O-] ZINC000890762459 590749908 /nfs/dbraw/zinc/74/99/08/590749908.db2.gz DEGWUPQTIJBQIK-UHFFFAOYSA-N -1 1 332.809 1.087 20 10 EDCDMM CO[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCOC1 ZINC000895641411 591239511 /nfs/dbraw/zinc/23/95/11/591239511.db2.gz MIKMEASRBOLVLQ-AAEUAGOBSA-N -1 1 328.796 1.896 20 10 EDCDMM [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000895311746 591707530 /nfs/dbraw/zinc/70/75/30/591707530.db2.gz FKCPJFRJNIRYKU-UHFFFAOYSA-N -1 1 334.185 1.471 20 10 EDCDMM CN(C1CCOCC1)S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908329420 592463593 /nfs/dbraw/zinc/46/35/93/592463593.db2.gz RLRMJYDQBUAUIX-UHFFFAOYSA-N -1 1 334.825 1.491 20 10 EDCDMM CCOC(=O)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC000815532983 593641478 /nfs/dbraw/zinc/64/14/78/593641478.db2.gz FJHJCKXMFLRBMT-UHFFFAOYSA-N -1 1 345.307 1.709 20 10 EDCDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(O)c(O)c1 ZINC000823625437 594222626 /nfs/dbraw/zinc/22/26/26/594222626.db2.gz VEOXRLWSSPWISK-UHFFFAOYSA-N -1 1 343.303 1.236 20 10 EDCDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(O)c(O)c1 ZINC000823625437 594222627 /nfs/dbraw/zinc/22/26/27/594222627.db2.gz VEOXRLWSSPWISK-UHFFFAOYSA-N -1 1 343.303 1.236 20 10 EDCDMM O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1c([O-])c(O)ccc1F ZINC000826965941 594612551 /nfs/dbraw/zinc/61/25/51/594612551.db2.gz FDVZUCLEOYVEBL-LLVKDONJSA-N -1 1 336.363 1.758 20 10 EDCDMM O=C1[N-]C(=S)NC(=O)C1=CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000072680476 702302379 /nfs/dbraw/zinc/30/23/79/702302379.db2.gz ZQUKGWYPGGRBAM-GFCCVEGCSA-N -1 1 335.816 1.796 20 10 EDCDMM CN1N=C(C(=O)NCc2cccc(Br)c2[O-])CCC1=O ZINC000277466243 443987671 /nfs/dbraw/zinc/98/76/71/443987671.db2.gz HNERKOQUFHGUDE-UHFFFAOYSA-N -1 1 340.177 1.379 20 10 EDCDMM COC(=O)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1 ZINC000278176348 444110493 /nfs/dbraw/zinc/11/04/93/444110493.db2.gz GLABMXRZWVRNLL-LLVKDONJSA-N -1 1 340.332 1.073 20 10 EDCDMM CS[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H]1[NH+]1CCCC1 ZINC000294885686 444154740 /nfs/dbraw/zinc/15/47/40/444154740.db2.gz GKKLDNGILPPYAZ-YPMHNXCESA-N -1 1 340.420 1.889 20 10 EDCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ncccc2F)CC1 ZINC000295417325 444183364 /nfs/dbraw/zinc/18/33/64/444183364.db2.gz DRUYTUYYNKYRNC-UHFFFAOYSA-N -1 1 335.310 1.733 20 10 EDCDMM CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000296081964 444203358 /nfs/dbraw/zinc/20/33/58/444203358.db2.gz SOTMFEAJYVUOIM-MGPLVRAMSA-N -1 1 349.362 1.961 20 10 EDCDMM O=C1NC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3[O-])CC[C@H]12 ZINC000365661704 446291671 /nfs/dbraw/zinc/29/16/71/446291671.db2.gz RGHPFWYWVIRLMJ-PWSUYJOCSA-N -1 1 325.206 1.723 20 10 EDCDMM O=C(COC[C@@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000765746088 580150508 /nfs/dbraw/zinc/15/05/08/580150508.db2.gz DFQGFNIMWWHKPR-NSHDSACASA-N -1 1 344.205 1.967 20 10 EDCDMM O=C(COc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000781863235 580559013 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CCS(=O)(=O)CCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895384693 591739100 /nfs/dbraw/zinc/73/91/00/591739100.db2.gz AQDJJPBRCVJAHL-UHFFFAOYSA-N -1 1 334.825 1.670 20 10 EDCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(CN2CCNC2=O)CC1 ZINC000900740137 592114278 /nfs/dbraw/zinc/11/42/78/592114278.db2.gz IYVZBTATDCJQCH-UHFFFAOYSA-N -1 1 337.351 1.114 20 10 EDCDMM CN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000814170952 593577708 /nfs/dbraw/zinc/57/77/08/593577708.db2.gz FAZLDEDRLDVFKP-NSHDSACASA-N -1 1 336.816 1.650 20 10 EDCDMM O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823540628 594215534 /nfs/dbraw/zinc/21/55/34/594215534.db2.gz IGIVUCAKIINNTD-JXMROGBWSA-N -1 1 348.413 1.231 20 10 EDCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCOC[C@@H](C3CCC3)C1)cc2=O ZINC000846261783 595190002 /nfs/dbraw/zinc/19/00/02/595190002.db2.gz NWELLCBWLGNNGJ-LBPRGKRZSA-N -1 1 346.387 1.382 20 10 EDCDMM CC1(C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1CCO ZINC000844214914 595303936 /nfs/dbraw/zinc/30/39/36/595303936.db2.gz LFCVFGKIMIFZOA-XQRVVYSFSA-N -1 1 349.387 1.586 20 10 EDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000844252665 595313275 /nfs/dbraw/zinc/31/32/75/595313275.db2.gz PBIYRVKLNLAXFN-CQSZACIVSA-N -1 1 349.431 1.044 20 10 EDCDMM O=c1nc(NCc2ccc(N3CCC(O)CC3)cc2)nc2[nH][n-]cc1-2 ZINC000853955333 595932078 /nfs/dbraw/zinc/93/20/78/595932078.db2.gz CUTRNEYDZPETPI-UHFFFAOYSA-N -1 1 340.387 1.005 20 10 EDCDMM O=C(NCC[S@](=O)CC(F)(F)F)c1c([O-])c(O)ccc1F ZINC000857302538 596208582 /nfs/dbraw/zinc/20/85/82/596208582.db2.gz UYWRCFCGJJYHRB-NRFANRHFSA-N -1 1 329.271 1.278 20 10 EDCDMM CC[C@@H](NC(C)=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000867831221 596576715 /nfs/dbraw/zinc/57/67/15/596576715.db2.gz SFUZZGJONIRNPM-LLVKDONJSA-N -1 1 329.194 1.686 20 10 EDCDMM COC1CCN(c2ccc(CN3C[C@@H](C)O[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000863475398 596592571 /nfs/dbraw/zinc/59/25/71/596592571.db2.gz YLJWRXZTACAYID-KDOFPFPSSA-N -1 1 348.443 1.976 20 10 EDCDMM CCS(=O)(=O)N(C)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876722902 597305405 /nfs/dbraw/zinc/30/54/05/597305405.db2.gz HSROVHXZYSZRTF-UHFFFAOYSA-N -1 1 348.415 1.916 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000037329120 213140806 /nfs/dbraw/zinc/14/08/06/213140806.db2.gz NMSSKJAAYXTYMZ-GFCCVEGCSA-N -1 1 331.821 1.867 20 10 EDCDMM CN1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000277564231 444006560 /nfs/dbraw/zinc/00/65/60/444006560.db2.gz PSNPJQISQXIMBE-SECBINFHSA-N -1 1 327.178 1.249 20 10 EDCDMM CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C12CCOCC2 ZINC000294883873 444153908 /nfs/dbraw/zinc/15/39/08/444153908.db2.gz CFXCTQBYJJMCFX-CHWSQXEVSA-N -1 1 339.363 1.941 20 10 EDCDMM O=C1NC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3[O-])CC[C@@H]12 ZINC000365661705 446291464 /nfs/dbraw/zinc/29/14/64/446291464.db2.gz RGHPFWYWVIRLMJ-ZYHUDNBSSA-N -1 1 325.206 1.723 20 10 EDCDMM CCCC(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000765732103 580150137 /nfs/dbraw/zinc/15/01/37/580150137.db2.gz PLWIZOWSUKCBCI-UHFFFAOYSA-N -1 1 329.194 1.687 20 10 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/nfs/dbraw/zinc/61/62/67/591616267.db2.gz YQKQBWAFFFOABZ-GXFFZTMASA-N -1 1 328.796 1.896 20 10 EDCDMM C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](CC(=O)[O-])C3)cc2)CC1 ZINC000901501348 592376424 /nfs/dbraw/zinc/37/64/24/592376424.db2.gz GLKSEHSBZPCOQE-KRWDZBQOSA-N -1 1 333.432 1.114 20 10 EDCDMM O=C1C[C@@H](S(=O)(=O)NCc2cccc(Cl)c2[O-])CN1C1CC1 ZINC000908330435 592447257 /nfs/dbraw/zinc/44/72/57/592447257.db2.gz XQNVSXBNUHLZAE-LLVKDONJSA-N -1 1 344.820 1.228 20 10 EDCDMM O=C(NCc1cccnc1-n1ccnc1)c1c(F)ccc(O)c1[O-] ZINC000789953949 593162910 /nfs/dbraw/zinc/16/29/10/593162910.db2.gz BZWIDMKRZPNIIF-UHFFFAOYSA-N -1 1 328.303 1.748 20 10 EDCDMM O=C(C[C@@H]1CCCS(=O)(=O)C1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000815282001 593624747 /nfs/dbraw/zinc/62/47/47/593624747.db2.gz BXOHMFHXJZHPJT-JTQLQIEISA-N -1 1 342.369 1.039 20 10 EDCDMM COc1c([O-])c(CNCc2nn(C)cc2Cl)ccc1[N+](=O)[O-] ZINC000824757937 594069805 /nfs/dbraw/zinc/06/98/05/594069805.db2.gz AQJZKZVXOWMAND-UHFFFAOYSA-N -1 1 326.740 1.986 20 10 EDCDMM 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/nfs/dbraw/zinc/21/48/29/596214829.db2.gz IXYKRPBCXDLRMG-UHFFFAOYSA-N -1 1 334.328 1.371 20 10 EDCDMM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncccc1[O-] ZINC000171262044 442335214 /nfs/dbraw/zinc/33/52/14/442335214.db2.gz VPLGDAOZRTWONY-UHFFFAOYSA-N -1 1 331.347 1.693 20 10 EDCDMM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000275582939 443632629 /nfs/dbraw/zinc/63/26/29/443632629.db2.gz PYMVOAOWABOIJK-UONOGXRCSA-N -1 1 341.791 1.747 20 10 EDCDMM O=C(N[C@H]1CCCN(c2cccnn2)C1)c1c(F)ccc(O)c1[O-] ZINC000276510422 443729156 /nfs/dbraw/zinc/72/91/56/443729156.db2.gz BBYZFZWDCMNIFE-JTQLQIEISA-N -1 1 332.335 1.426 20 10 EDCDMM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1c(F)ccc(O)c1[O-])CC2 ZINC000276546104 443741749 /nfs/dbraw/zinc/74/17/49/443741749.db2.gz GUQUAEZRFGFYHP-QWHCGFSZSA-N -1 1 339.363 1.629 20 10 EDCDMM COc1c([O-])c(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278312248 444136698 /nfs/dbraw/zinc/13/66/98/444136698.db2.gz WYUTWLARAUTZMQ-VHSXEESVSA-N -1 1 346.405 1.562 20 10 EDCDMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000911330352 592994652 /nfs/dbraw/zinc/99/46/52/592994652.db2.gz JWHOTVLXISVPIK-SNVBAGLBSA-N -1 1 326.780 1.458 20 10 EDCDMM O=C(NCc1ccnc(-n2cccn2)c1)c1c(F)ccc(O)c1[O-] ZINC000789952473 593162676 /nfs/dbraw/zinc/16/26/76/593162676.db2.gz FFBRLBFEPQKCNB-UHFFFAOYSA-N -1 1 328.303 1.748 20 10 EDCDMM CCOC(=O)N(C)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825693650 594227414 /nfs/dbraw/zinc/22/74/14/594227414.db2.gz GZBNPPKVUOVJAP-UHFFFAOYSA-N -1 1 340.351 1.930 20 10 EDCDMM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000826026346 594309302 /nfs/dbraw/zinc/30/93/02/594309302.db2.gz AZIJKQCDCCBULK-RKDXNWHRSA-N -1 1 331.365 1.323 20 10 EDCDMM CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCN2C)NC(=O)[O-])cc1 ZINC000828055237 594331923 /nfs/dbraw/zinc/33/19/23/594331923.db2.gz GFQHLDPDPHFZQY-JKSUJKDBSA-N -1 1 348.447 1.662 20 10 EDCDMM C[C@@]1(Br)C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000860116268 595584759 /nfs/dbraw/zinc/58/47/59/595584759.db2.gz MWMNERAEOIMFNZ-ISVAXAHUSA-N -1 1 329.146 1.997 20 10 EDCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCC(=O)N1 ZINC000861332591 595945659 /nfs/dbraw/zinc/94/56/59/595945659.db2.gz ICFUFCBAGYBZBQ-KCJUWKMLSA-N -1 1 341.205 1.686 20 10 EDCDMM Cn1cc([C@@H]2C[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])CCO2)cn1 ZINC000857273805 596202815 /nfs/dbraw/zinc/20/28/15/596202815.db2.gz YZUGTJLHKTYRML-GWCFXTLKSA-N -1 1 335.335 1.621 20 10 EDCDMM O=C(C[C@@H]1CCNC1=O)NCc1cccc(Br)c1[O-] ZINC000879775283 597719923 /nfs/dbraw/zinc/71/99/23/597719923.db2.gz WGARJHAKNLBGNS-QMMMGPOBSA-N -1 1 327.178 1.297 20 10 EDCDMM COc1c([O-])c(CN(CCS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000278139959 444103611 /nfs/dbraw/zinc/10/36/11/444103611.db2.gz ASHIIIOIMQJDPR-UHFFFAOYSA-N -1 1 344.389 1.318 20 10 EDCDMM COc1c([O-])c(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278145635 444105723 /nfs/dbraw/zinc/10/57/23/444105723.db2.gz BNTLDFLJOSVYBD-ZJUUUORDSA-N -1 1 344.389 1.316 20 10 EDCDMM Cc1cc(C)n(C[C@@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])CCO2)n1 ZINC000295355417 444179889 /nfs/dbraw/zinc/17/98/89/444179889.db2.gz VSXPOXQPQNJATK-LBPRGKRZSA-N -1 1 349.362 1.591 20 10 EDCDMM COc1c([O-])c(CN2CCOC[C@@H]2c2ncon2)ccc1[N+](=O)[O-] ZINC000365821514 446357385 /nfs/dbraw/zinc/35/73/85/446357385.db2.gz LEUXFXUKYUUQGG-LLVKDONJSA-N -1 1 336.304 1.266 20 10 EDCDMM O=C(C=Cc1ccc(O)c(O)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000014774634 571723300 /nfs/dbraw/zinc/72/33/00/571723300.db2.gz DPMVCMFEBYVTFB-QHHAFSJGSA-N -1 1 330.292 1.948 20 10 endogenous,in-man EDCDMM COc1ccc(O)c([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000770424094 580260091 /nfs/dbraw/zinc/26/00/91/580260091.db2.gz KAUWPPXYWOAUIW-QMMMGPOBSA-N -1 1 333.300 1.901 20 10 EDCDMM O=C(COC(=O)c1cnn(CC(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000784894399 580630765 /nfs/dbraw/zinc/63/07/65/580630765.db2.gz UCVHVXFNDWZAQP-UHFFFAOYSA-N -1 1 344.245 1.896 20 10 EDCDMM O=C(CCNC(=O)c1c(F)ccc(O)c1[O-])NCc1ccccn1 ZINC000790075269 580761732 /nfs/dbraw/zinc/76/17/32/580761732.db2.gz JYLCKXIIPMOSIG-UHFFFAOYSA-N -1 1 333.319 1.068 20 10 EDCDMM O=C(NCc1nnc(C2CC2)n1C1CC1)c1c(F)ccc(O)c1[O-] ZINC000790077791 580761802 /nfs/dbraw/zinc/76/18/02/580761802.db2.gz ZILSVBYVMDVGFM-UHFFFAOYSA-N -1 1 332.335 1.971 20 10 EDCDMM CCc1[nH]nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1[N+](=O)[O-] ZINC000795612207 580931121 /nfs/dbraw/zinc/93/11/21/580931121.db2.gz OEFSSEMECGPKNG-UHFFFAOYSA-N -1 1 335.272 1.331 20 10 EDCDMM O=C(COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc([O-])c(O)c1 ZINC000800116006 581043510 /nfs/dbraw/zinc/04/35/10/581043510.db2.gz VBSXUCLVVBUEOK-LBPRGKRZSA-N -1 1 347.367 1.615 20 10 EDCDMM CCOC(=O)[C@H](CC(=O)NCc1cccc(Cl)c1[O-])C(C)=O ZINC000890759079 590748769 /nfs/dbraw/zinc/74/87/69/590748769.db2.gz BQJARHRZQZOTML-LLVKDONJSA-N -1 1 327.764 1.820 20 10 EDCDMM O=C(NCc1nnc2n1CCCC2)NCc1cccc(Cl)c1[O-] ZINC000892098569 590797405 /nfs/dbraw/zinc/79/74/05/590797405.db2.gz HUOOSGCTFBRBSJ-UHFFFAOYSA-N -1 1 335.795 1.973 20 10 EDCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](O)[C@H](CO)C1 ZINC000895014856 591523370 /nfs/dbraw/zinc/52/33/70/591523370.db2.gz PHZFQHMSXKNOID-CABZTGNLSA-N -1 1 334.185 1.469 20 10 EDCDMM COC[C@H]1C[C@@H](O)CN1Cc1cc(Br)cc(F)c1[O-] ZINC000895137545 591612240 /nfs/dbraw/zinc/61/22/40/591612240.db2.gz NBMAFLXMLKYPNT-GHMZBOCLSA-N -1 1 334.185 1.875 20 10 EDCDMM CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901962165 591880138 /nfs/dbraw/zinc/88/01/38/591880138.db2.gz AQAMPZAYENHHJY-LJQANCHMSA-N -1 1 345.805 1.416 20 10 EDCDMM CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000908211879 592387694 /nfs/dbraw/zinc/38/76/94/592387694.db2.gz LZYJPCCTGYIFKM-IINYFYTJSA-N -1 1 333.215 1.770 20 10 EDCDMM CCc1nnc(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)[nH]1 ZINC000830297898 594370186 /nfs/dbraw/zinc/37/01/86/594370186.db2.gz LQTFGTSCGOQMBS-UHFFFAOYSA-N -1 1 334.351 1.937 20 10 EDCDMM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000828516164 594442532 /nfs/dbraw/zinc/44/25/32/594442532.db2.gz UPAQVXONJSNULQ-OAHLLOKOSA-N -1 1 329.324 1.059 20 10 EDCDMM CNC(=O)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000836632088 594982565 /nfs/dbraw/zinc/98/25/65/594982565.db2.gz IZONKBKTNXFIMV-MRVPVSSYSA-N -1 1 344.209 1.479 20 10 EDCDMM CN(C)c1n[nH]c(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1 ZINC000846649434 595293226 /nfs/dbraw/zinc/29/32/26/595293226.db2.gz XDGLUXNJUYJPCH-UHFFFAOYSA-N -1 1 349.366 1.441 20 10 EDCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1nn[n-]n1 ZINC000864637247 596292951 /nfs/dbraw/zinc/29/29/51/596292951.db2.gz KOXVHKNZQOOLIZ-UHFFFAOYSA-N -1 1 328.420 1.781 20 10 EDCDMM COc1ccccc1OCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590341 696682405 /nfs/dbraw/zinc/68/24/05/696682405.db2.gz PVMSDIMUJOSOCY-UHFFFAOYSA-N -1 1 332.308 1.911 20 10 EDCDMM COc1c([O-])c(CN2CC[C@H](C)[S@](=O)CC2)ccc1[N+](=O)[O-] ZINC000278416723 443323974 /nfs/dbraw/zinc/32/39/74/443323974.db2.gz QXJYFZCMHDOCGO-MLMJSJRWSA-N -1 1 328.390 1.652 20 10 EDCDMM CCc1nn(C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271559705 443506042 /nfs/dbraw/zinc/50/60/42/443506042.db2.gz QMQAFYKVTQTTNT-UHFFFAOYSA-N -1 1 338.389 1.312 20 10 EDCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC(=O)N(CCC(F)(F)F)C1 ZINC000295954110 444196376 /nfs/dbraw/zinc/19/63/76/444196376.db2.gz MKEJLIDYXZNIJK-UHFFFAOYSA-N -1 1 336.241 1.431 20 10 EDCDMM COc1c([O-])c(CN2CCO[C@H](COC(C)C)C2)ccc1[N+](=O)[O-] ZINC000365821466 446356409 /nfs/dbraw/zinc/35/64/09/446356409.db2.gz KVGPYVJQSULQMO-ZDUSSCGKSA-N -1 1 340.376 1.935 20 10 EDCDMM Cc1ccc(C)n1-c1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765407760 580141280 /nfs/dbraw/zinc/14/12/80/580141280.db2.gz BDDVVLNLBUUUIN-UHFFFAOYSA-N -1 1 326.356 1.873 20 10 EDCDMM COc1cc(C(=O)NCc2cccc(Br)c2[O-])nn1C ZINC000765770391 580150982 /nfs/dbraw/zinc/15/09/82/580150982.db2.gz PXGWHUDIAAJMJU-UHFFFAOYSA-N -1 1 340.177 1.827 20 10 EDCDMM CC(C)OCCN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000789989108 580758788 /nfs/dbraw/zinc/75/87/88/580758788.db2.gz DUUPBSGDTWPXEK-UHFFFAOYSA-N -1 1 326.368 1.420 20 10 EDCDMM Cn1cc2c(n1)CCC[C@@H]2C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000798759095 581007106 /nfs/dbraw/zinc/00/71/06/581007106.db2.gz TXLJYDGWAGDKBJ-NSHDSACASA-N -1 1 330.340 1.677 20 10 EDCDMM CCN1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1=O ZINC000896640893 591564649 /nfs/dbraw/zinc/56/46/49/591564649.db2.gz SMXZWJYLIXURPB-GFCCVEGCSA-N -1 1 325.796 1.856 20 10 EDCDMM CN1C(=O)CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000907758997 592780037 /nfs/dbraw/zinc/78/00/37/592780037.db2.gz XFKJMIVFZVESLA-LLVKDONJSA-N -1 1 341.205 1.782 20 10 EDCDMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000765094310 593432396 /nfs/dbraw/zinc/43/23/96/593432396.db2.gz DKMIVUVTPZAGEX-UHFFFAOYSA-N -1 1 336.304 1.262 20 10 EDCDMM O=C(N[C@H]1CCOC2(CCOCC2)C1)c1c(F)ccc(O)c1[O-] ZINC000822494035 594057248 /nfs/dbraw/zinc/05/72/48/594057248.db2.gz DYTWULHGASOLMR-JTQLQIEISA-N -1 1 325.336 1.695 20 10 EDCDMM COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000830886562 594505546 /nfs/dbraw/zinc/50/55/46/594505546.db2.gz QPDRIOXMEAFEBF-AAEUAGOBSA-N -1 1 341.791 1.604 20 10 EDCDMM O=C1N[C@H](c2c([O-])cccc2Br)N2CCSC[C@@H]12 ZINC000864387049 596877618 /nfs/dbraw/zinc/87/76/18/596877618.db2.gz LTEQHBSXQDGYTI-KWQFWETISA-N -1 1 329.219 1.701 20 10 EDCDMM COC(=O)c1cn([C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nn1 ZINC000877353752 597499172 /nfs/dbraw/zinc/49/91/72/597499172.db2.gz WVKUUGREFLIJHV-SNVBAGLBSA-N -1 1 338.314 1.496 20 10 EDCDMM COC(=O)C1=NO[C@@]2(CCN(Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000877712097 597549408 /nfs/dbraw/zinc/54/94/08/597549408.db2.gz FPMASSFZWGASBA-HNNXBMFYSA-N -1 1 326.299 1.564 20 10 EDCDMM CCC(NCc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000029011677 597924326 /nfs/dbraw/zinc/92/43/26/597924326.db2.gz VDEPKMIEWRAOEL-UHFFFAOYSA-N -1 1 332.429 1.037 20 10 EDCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1O ZINC000182476091 700825767 /nfs/dbraw/zinc/82/57/67/700825767.db2.gz ZURVQGCLQPPIPG-UHFFFAOYSA-N -1 1 334.353 1.946 20 10 EDCDMM 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Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000281137458 443828753 /nfs/dbraw/zinc/82/87/53/443828753.db2.gz JHQUOCDSMSGCAF-UHFFFAOYSA-N -1 1 336.417 1.644 20 10 EDCDMM CC[C@H](C(=O)NCc1cccc(Br)c1[O-])C(=O)OC ZINC000277560124 444005270 /nfs/dbraw/zinc/00/52/70/444005270.db2.gz PHYQLXMPDSJASV-SECBINFHSA-N -1 1 330.178 1.970 20 10 EDCDMM CSCC[C@@H](O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277626638 444015422 /nfs/dbraw/zinc/01/54/22/444015422.db2.gz WUMVEAYMQCAPCT-SNVBAGLBSA-N -1 1 334.235 1.885 20 10 EDCDMM NC(=O)NCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277656407 444018728 /nfs/dbraw/zinc/01/87/28/444018728.db2.gz ZKZYFENAZJVVLK-UHFFFAOYSA-N -1 1 344.209 1.610 20 10 EDCDMM Cc1cc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)no1 ZINC000295195442 444169845 /nfs/dbraw/zinc/16/98/45/444169845.db2.gz OLHGCLWCWNCENZ-UHFFFAOYSA-N -1 1 335.335 1.491 20 10 EDCDMM C[C@H]1OCC[C@@]12CN(C(=O)c1c(F)ccc(O)c1[O-])C[C@@H](C)O2 ZINC000296270800 444216388 /nfs/dbraw/zinc/21/63/88/444216388.db2.gz MHBMXPPDIYYURL-XIZWVBILSA-N -1 1 325.336 1.645 20 10 EDCDMM CCOC(COCCNC(=O)c1c(F)ccc(O)c1[O-])OCC ZINC000295521541 444188043 /nfs/dbraw/zinc/18/80/43/444188043.db2.gz USLHLHLTYKSYSI-UHFFFAOYSA-N -1 1 331.340 1.382 20 10 EDCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000766048342 580157523 /nfs/dbraw/zinc/15/75/23/580157523.db2.gz RPFMUIZHYDLBBA-UHFFFAOYSA-N -1 1 348.380 1.803 20 10 EDCDMM COCc1nc(C(=O)NCc2cccc(Br)c2[O-])no1 ZINC000766236275 580162442 /nfs/dbraw/zinc/16/24/42/580162442.db2.gz IAIYMWUIKIAURV-UHFFFAOYSA-N -1 1 342.149 1.614 20 10 EDCDMM Cc1ccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)cc1F ZINC000769796001 580245230 /nfs/dbraw/zinc/24/52/30/580245230.db2.gz VQOVEPSGSCVSCY-UHFFFAOYSA-N -1 1 347.379 1.830 20 10 EDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2c[nH]nc2Cl)c1 ZINC000774222314 580357069 /nfs/dbraw/zinc/35/70/69/580357069.db2.gz CULLHWKJHHZPGZ-UHFFFAOYSA-N -1 1 330.753 1.393 20 10 EDCDMM CCCC(=O)N1CCC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000783096443 580593185 /nfs/dbraw/zinc/59/31/85/580593185.db2.gz PFVSAHOBWGLTKX-ZDUSSCGKSA-N -1 1 349.383 1.862 20 10 EDCDMM Cn1c(=O)[nH]c2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC000783186111 580595139 /nfs/dbraw/zinc/59/51/39/580595139.db2.gz SYFMYAHHEGKLHU-UHFFFAOYSA-N -1 1 342.307 1.730 20 10 EDCDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc3c2OCO3)ccc1O ZINC000800837869 581059250 /nfs/dbraw/zinc/05/92/50/581059250.db2.gz DVELMKZTLLHCFY-UHFFFAOYSA-N -1 1 337.309 1.620 20 10 EDCDMM CCN1C[C@@H](S(=O)(=O)NCc2cccc(Cl)c2[O-])CC1=O ZINC000908327297 592462008 /nfs/dbraw/zinc/46/20/08/592462008.db2.gz GVHINMKATZFYQL-JTQLQIEISA-N -1 1 332.809 1.086 20 10 EDCDMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000911330348 592994748 /nfs/dbraw/zinc/99/47/48/592994748.db2.gz JWHOTVLXISVPIK-JTQLQIEISA-N -1 1 326.780 1.458 20 10 EDCDMM C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000841430435 593066391 /nfs/dbraw/zinc/06/63/91/593066391.db2.gz SUOBNVLUFJNPED-RCOVLWMOSA-N -1 1 329.150 1.268 20 10 EDCDMM COc1cnc(C(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000816496335 593527465 /nfs/dbraw/zinc/52/74/65/593527465.db2.gz GAPUZFIHPUUUMD-UHFFFAOYSA-N -1 1 338.161 1.883 20 10 EDCDMM O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1c(F)ccc(O)c1[O-] ZINC000279220587 443540013 /nfs/dbraw/zinc/54/00/13/443540013.db2.gz OWNUBFKDPZJJDJ-SNVBAGLBSA-N -1 1 332.335 1.426 20 10 EDCDMM CCOC(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000277383358 443972844 /nfs/dbraw/zinc/97/28/44/443972844.db2.gz BHJQMRBMLKEHIE-UHFFFAOYSA-N -1 1 331.166 1.517 20 10 EDCDMM CC1(C)CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@]2(CCOC2)O1 ZINC000295184900 444169130 /nfs/dbraw/zinc/16/91/30/444169130.db2.gz QGEYEOMHCJQOEJ-INIZCTEOSA-N -1 1 325.336 1.647 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN2CCn3c(nn(C)c3=O)C2)c1[O-] ZINC000090681044 527206867 /nfs/dbraw/zinc/20/68/67/527206867.db2.gz CWIPPGVHRWFKQA-UHFFFAOYSA-N -1 1 336.779 1.159 20 10 EDCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(Cn3cccn3)no2)c1 ZINC000758291978 579979122 /nfs/dbraw/zinc/97/91/22/579979122.db2.gz XLEVSONTYVFBTD-UHFFFAOYSA-N -1 1 335.345 1.059 20 10 EDCDMM Cn1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1-n1cccc1 ZINC000782658563 580582015 /nfs/dbraw/zinc/58/20/15/580582015.db2.gz CQAHKTSFJWZWKG-UHFFFAOYSA-N -1 1 341.323 1.662 20 10 EDCDMM CC(C)CS(=O)(=O)CCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783006912 580591383 /nfs/dbraw/zinc/59/13/83/580591383.db2.gz BXTPAUGJPGLJAW-UHFFFAOYSA-N -1 1 344.385 1.285 20 10 EDCDMM C[C@@H](NC(=O)C1CCCC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783029675 580592017 /nfs/dbraw/zinc/59/20/17/580592017.db2.gz SEFCIGOQNDLDMH-SNVBAGLBSA-N -1 1 335.356 1.519 20 10 EDCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797820480 580981719 /nfs/dbraw/zinc/98/17/19/580981719.db2.gz ZTRMDGXFVQCTNJ-UHFFFAOYSA-N -1 1 337.353 1.988 20 10 EDCDMM CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893931141 591141904 /nfs/dbraw/zinc/14/19/04/591141904.db2.gz HNQNLDRXQSYEOM-CMPLNLGQSA-N -1 1 325.796 1.760 20 10 EDCDMM COC(=O)[C@]1(O)CCN(Cc2cc(Br)ccc2O)C1 ZINC000895706577 591255617 /nfs/dbraw/zinc/25/56/17/591255617.db2.gz HDUBDAVSLKVTLI-ZDUSSCGKSA-N -1 1 330.178 1.265 20 10 EDCDMM CC(=O)NCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000840997103 591378902 /nfs/dbraw/zinc/37/89/02/591378902.db2.gz TXHOBUGFPUISGN-QMMMGPOBSA-N -1 1 332.759 1.596 20 10 EDCDMM C[C@]1(C(=O)NCc2cccc(Br)c2[O-])CCNC(=O)C1 ZINC000898703587 591481307 /nfs/dbraw/zinc/48/13/07/591481307.db2.gz KNDYLHXNHNKAJE-AWEZNQCLSA-N -1 1 341.205 1.687 20 10 EDCDMM CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000902693105 592047256 /nfs/dbraw/zinc/04/72/56/592047256.db2.gz OENYSHUHWOURRJ-INIZCTEOSA-N -1 1 333.432 1.411 20 10 EDCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])C(=O)NCc1ccccc1 ZINC000789962973 593162832 /nfs/dbraw/zinc/16/28/32/593162832.db2.gz DEOXUFHJGZMPLW-JTQLQIEISA-N -1 1 332.331 1.672 20 10 EDCDMM c1[nH]c2ncccc2c1C1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000823868158 593875933 /nfs/dbraw/zinc/87/59/33/593875933.db2.gz PATBYQCVBUQXDV-UHFFFAOYSA-N -1 1 345.370 1.827 20 10 EDCDMM c1[nH]c2ncccc2c1C1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000823868158 593875934 /nfs/dbraw/zinc/87/59/34/593875934.db2.gz PATBYQCVBUQXDV-UHFFFAOYSA-N -1 1 345.370 1.827 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3nncn3C)CC2)c1[O-] ZINC000847037385 595354628 /nfs/dbraw/zinc/35/46/28/595354628.db2.gz HHOALXUAAUBQDA-UHFFFAOYSA-N -1 1 349.822 1.699 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CC(N)=O)C2)c1[O-] ZINC000860016426 595544095 /nfs/dbraw/zinc/54/40/95/595544095.db2.gz JUOACHSFDGWQGJ-GFCCVEGCSA-N -1 1 326.780 1.324 20 10 EDCDMM Cn1cc([C@H](NC(=O)c2c(F)ccc(O)c2[O-])C2(CO)CCC2)cn1 ZINC000857264293 596201085 /nfs/dbraw/zinc/20/10/85/596201085.db2.gz UXUSDDULMAZYBY-HNNXBMFYSA-N -1 1 349.362 1.604 20 10 EDCDMM COC[C@]1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1 ZINC000862551760 596344506 /nfs/dbraw/zinc/34/45/06/596344506.db2.gz PIJLWCRYRXPLTO-HNNXBMFYSA-N -1 1 326.349 1.546 20 10 EDCDMM Cn1nc(C(=O)[O-])cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000874039738 596903537 /nfs/dbraw/zinc/90/35/37/596903537.db2.gz SPKLFEUGRFUAST-UHFFFAOYSA-N -1 1 348.378 1.384 20 10 EDCDMM COCCN1C(=O)C(=CNc2ccccc2C(C)C)C(=O)[N-]C1=S ZINC000920976107 697501119 /nfs/dbraw/zinc/50/11/19/697501119.db2.gz PGUQPBFGZTXNFP-JLHYYAGUSA-N -1 1 347.440 1.996 20 10 EDCDMM CC(C)CN1CC(=O)N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000077474868 441788812 /nfs/dbraw/zinc/78/88/12/441788812.db2.gz OSVUEMBPUZJRIH-ZDUSSCGKSA-N -1 1 329.194 1.947 20 10 EDCDMM O=C(NCCc1nnc2n1CCCCC2)c1c(F)ccc(O)c1[O-] ZINC000276491071 443723943 /nfs/dbraw/zinc/72/39/43/443723943.db2.gz GMQHAEQIZKHIOF-UHFFFAOYSA-N -1 1 334.351 1.527 20 10 EDCDMM CCc1n[nH]c(=O)c(CNC(=O)c2c(F)ccc(O)c2[O-])c1CC ZINC000276626080 443769746 /nfs/dbraw/zinc/76/97/46/443769746.db2.gz RXAVOMQOHJBIBD-UHFFFAOYSA-N -1 1 335.335 1.375 20 10 EDCDMM COc1c([O-])c(CN2CCOC[C@@H]2c2ncnn2C)ccc1[N+](=O)[O-] ZINC000284494189 443776931 /nfs/dbraw/zinc/77/69/31/443776931.db2.gz XDMFNGJVFQXWEG-GFCCVEGCSA-N -1 1 349.347 1.011 20 10 EDCDMM COC(=O)NCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277545339 444004752 /nfs/dbraw/zinc/00/47/52/444004752.db2.gz NQUNHBQAPGVBEB-UHFFFAOYSA-N -1 1 345.193 1.907 20 10 EDCDMM CCN1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000277525150 444000373 /nfs/dbraw/zinc/00/03/73/444000373.db2.gz MCSCYJLEOFKLTG-SNVBAGLBSA-N -1 1 341.205 1.639 20 10 EDCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])S(C)(=O)=O ZINC000277650204 444018499 /nfs/dbraw/zinc/01/84/99/444018499.db2.gz YXFZQNDLUOEESU-SSDOTTSWSA-N -1 1 336.207 1.204 20 10 EDCDMM O=C(C[C@@H]1CCCC(=O)N1)NCc1cccc(Br)c1[O-] ZINC000290212447 444254564 /nfs/dbraw/zinc/25/45/64/444254564.db2.gz QSZGSBSWYXBJGW-JTQLQIEISA-N -1 1 341.205 1.830 20 10 EDCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000377089559 446913507 /nfs/dbraw/zinc/91/35/07/446913507.db2.gz NOTROHQCXQEHEC-CYBMUJFWSA-N -1 1 344.242 1.705 20 10 EDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1COCCO1 ZINC000764765932 580128312 /nfs/dbraw/zinc/12/83/12/580128312.db2.gz WWIPEKQXNWRTPO-SNVBAGLBSA-N -1 1 345.193 1.369 20 10 EDCDMM Cn1ccc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764801241 580128937 /nfs/dbraw/zinc/12/89/37/580128937.db2.gz SIALVERVAUCYSH-UHFFFAOYSA-N -1 1 339.193 1.888 20 10 EDCDMM O=C(CCN1CCOC1=O)NCc1cccc(Br)c1[O-] ZINC000765729061 580150114 /nfs/dbraw/zinc/15/01/14/580150114.db2.gz YEDCDOLSYFCRKC-UHFFFAOYSA-N -1 1 343.177 1.613 20 10 EDCDMM CCC(=O)N[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765750433 580150623 /nfs/dbraw/zinc/15/06/23/580150623.db2.gz GQRFXCYFDOJIKB-QMMMGPOBSA-N -1 1 329.194 1.686 20 10 EDCDMM CCC(=O)N[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765750428 580150650 /nfs/dbraw/zinc/15/06/50/580150650.db2.gz GQRFXCYFDOJIKB-MRVPVSSYSA-N -1 1 329.194 1.686 20 10 EDCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](S(N)(=O)=O)C2)c1[O-] ZINC000772223970 580305443 /nfs/dbraw/zinc/30/54/43/580305443.db2.gz VRHYMHJEHGZHDO-LLVKDONJSA-N -1 1 332.809 1.111 20 10 EDCDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(O)c(O)c1 ZINC000784216558 580615788 /nfs/dbraw/zinc/61/57/88/580615788.db2.gz RDUVQSMAXJAYGI-UHFFFAOYSA-N -1 1 333.252 1.751 20 10 EDCDMM O=C(NCCOc1ccc2c(c1)OCO2)c1c(F)ccc(O)c1[O-] ZINC000789957729 580757862 /nfs/dbraw/zinc/75/78/62/580757862.db2.gz WRPZHCIFQAFIST-UHFFFAOYSA-N -1 1 335.287 1.774 20 10 EDCDMM COCCC[N@@H+](C)CCNC(=O)NCc1cccc(Cl)c1O ZINC000893224623 590719604 /nfs/dbraw/zinc/71/96/04/590719604.db2.gz FRYHPCNAXLYVSM-UHFFFAOYSA-N -1 1 329.828 1.813 20 10 EDCDMM COCCN1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CC1=O ZINC000890757537 590747767 /nfs/dbraw/zinc/74/77/67/590747767.db2.gz HBRCODUICQWNCR-LLVKDONJSA-N -1 1 326.780 1.157 20 10 EDCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCS(=O)(=O)C1 ZINC000893992180 591157007 /nfs/dbraw/zinc/15/70/07/591157007.db2.gz YURTVRJFKMSUEG-SNVBAGLBSA-N -1 1 332.809 1.422 20 10 EDCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCS(=O)(=O)C1 ZINC000891785732 591224109 /nfs/dbraw/zinc/22/41/09/591224109.db2.gz FVPNTGIAFBODII-SECBINFHSA-N -1 1 332.809 1.280 20 10 EDCDMM COC(=O)CC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCOCC1 ZINC000831521719 594680458 /nfs/dbraw/zinc/68/04/58/594680458.db2.gz 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/nfs/dbraw/zinc/42/78/49/593427849.db2.gz YHGNPPBXWRQLSZ-UHFFFAOYSA-N -1 1 328.340 1.834 20 10 EDCDMM Clc1ccc(C2=CCN(c3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC000826351730 594439855 /nfs/dbraw/zinc/43/98/55/594439855.db2.gz YAYUKUWKHJDILE-UHFFFAOYSA-N -1 1 340.778 1.999 20 10 EDCDMM Clc1ccc(C2=CCN(c3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC000826351730 594439856 /nfs/dbraw/zinc/43/98/56/594439856.db2.gz YAYUKUWKHJDILE-UHFFFAOYSA-N -1 1 340.778 1.999 20 10 EDCDMM O=S(=O)(NCc1ccccc1O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492027 594499887 /nfs/dbraw/zinc/49/98/87/594499887.db2.gz PBNJRNBPZBBZCM-UHFFFAOYSA-N -1 1 349.347 1.190 20 10 EDCDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000833623171 594888738 /nfs/dbraw/zinc/88/87/38/594888738.db2.gz RDIYLDUANYTJKW-FHMRSRPSSA-N -1 1 334.372 1.118 20 10 EDCDMM O=C([O-])N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000834184010 595045036 /nfs/dbraw/zinc/04/50/36/595045036.db2.gz SFGJQHBAXXLGDM-CQSZACIVSA-N -1 1 337.395 1.894 20 10 EDCDMM COCCN1C(=O)C(=CNc2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000920974283 697500738 /nfs/dbraw/zinc/50/07/38/697500738.db2.gz HDPNAIYZAUFRHY-DHZHZOJOSA-N -1 1 339.804 1.526 20 10 EDCDMM CC(C)(C)OC(=O)NCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276632284 443772062 /nfs/dbraw/zinc/77/20/62/443772062.db2.gz SYLXCXGNTBBRRG-UHFFFAOYSA-N -1 1 328.340 1.882 20 10 EDCDMM COCCOCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277341916 443966560 /nfs/dbraw/zinc/96/65/60/443966560.db2.gz FSDOLAZMEHZSJT-UHFFFAOYSA-N -1 1 347.209 1.617 20 10 EDCDMM CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000289584185 444176622 /nfs/dbraw/zinc/17/66/22/444176622.db2.gz UDQGYACXOLTZRB-GFCCVEGCSA-N -1 1 332.853 1.901 20 10 EDCDMM COCCN1C(=O)C(=CN[C@H](C)CCCC(C)C)C(=O)[N-]C1=S ZINC000299262526 523787243 /nfs/dbraw/zinc/78/72/43/523787243.db2.gz LIMLQMRFYSZGCU-YGYTWAPGSA-N -1 1 341.477 1.564 20 10 EDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000769633723 580241828 /nfs/dbraw/zinc/24/18/28/580241828.db2.gz OFQCGGLYOZJFAO-UHFFFAOYSA-N -1 1 349.368 1.115 20 10 EDCDMM Cc1cccc(C(=O)NCCNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789957571 580757857 /nfs/dbraw/zinc/75/78/57/580757857.db2.gz ANPYQJYHUXYGSG-UHFFFAOYSA-N -1 1 332.331 1.705 20 10 EDCDMM O=C(NCCN1C(=O)c2ccccc2C1=O)c1c(F)ccc(O)c1[O-] ZINC000789965824 580758121 /nfs/dbraw/zinc/75/81/21/580758121.db2.gz DRKKGHYEDHCTIL-UHFFFAOYSA-N -1 1 344.298 1.263 20 10 EDCDMM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760681 590748778 /nfs/dbraw/zinc/74/87/78/590748778.db2.gz VYVLCIUAMRMVFE-GFCCVEGCSA-N -1 1 348.852 1.626 20 10 EDCDMM COc1c([O-])c(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895920398 591304444 /nfs/dbraw/zinc/30/44/44/591304444.db2.gz KGLPZXXWMRURCA-OUAUKWLOSA-N -1 1 337.376 1.749 20 10 EDCDMM CS(=O)(=O)CCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895447277 591760804 /nfs/dbraw/zinc/76/08/04/591760804.db2.gz DEQHCGDHSIUZJZ-UHFFFAOYSA-N -1 1 334.825 1.670 20 10 EDCDMM O=S1(=O)CCN(Cc2c([O-])cccc2Cl)[C@H]2CCOC[C@H]21 ZINC000839186708 593272693 /nfs/dbraw/zinc/27/26/93/593272693.db2.gz OBCKLMOUKBNOHG-GXTWGEPZSA-N -1 1 331.821 1.434 20 10 EDCDMM O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1c(F)ccc(O)c1[O-] ZINC000827013379 594623613 /nfs/dbraw/zinc/62/36/13/594623613.db2.gz JMOVPNIKOHJNJB-GFCCVEGCSA-N -1 1 336.363 1.900 20 10 EDCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H](OC3CCC3)C1)cc2=O ZINC000848712908 595434507 /nfs/dbraw/zinc/43/45/07/595434507.db2.gz UMYXWRAOCYCOAE-ZDUSSCGKSA-N -1 1 346.387 1.667 20 10 EDCDMM O=C(COC(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1ccc([O-])c(O)c1 ZINC000845266995 595471970 /nfs/dbraw/zinc/47/19/70/595471970.db2.gz OAIRAPMODJTDGU-DYVFJYSZSA-N -1 1 343.335 1.997 20 10 EDCDMM O=C([O-])CN1CC[C@H](N(Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000852725390 596233709 /nfs/dbraw/zinc/23/37/09/596233709.db2.gz DCOVRFAPASPWEJ-CABCVRRESA-N -1 1 348.399 1.059 20 10 EDCDMM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])N2CCSC[C@@H]12 ZINC000270845826 296394742 /nfs/dbraw/zinc/39/47/42/296394742.db2.gz XLRIQBJAYZBDAC-ONGXEEELSA-N -1 1 345.218 1.406 20 10 EDCDMM COCCNc1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000058807611 441213221 /nfs/dbraw/zinc/21/32/21/441213221.db2.gz WNDUOMMKOWMNFD-UHFFFAOYSA-N -1 1 341.414 1.983 20 10 EDCDMM COCCN1C(=O)C(=CN[C@@H](C)CCCC(C)C)C(=O)[N-]C1=S ZINC000060862003 441259570 /nfs/dbraw/zinc/25/95/70/441259570.db2.gz LIMLQMRFYSZGCU-IXJPEXDMSA-N -1 1 341.477 1.564 20 10 EDCDMM CCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C(C)(C)C1=O ZINC000278433180 443329741 /nfs/dbraw/zinc/32/97/41/443329741.db2.gz UJICXTQYQFHOCX-UHFFFAOYSA-N -1 1 337.376 1.752 20 10 EDCDMM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])N2CCSC[C@H]12 ZINC000270845824 443483506 /nfs/dbraw/zinc/48/35/06/443483506.db2.gz XLRIQBJAYZBDAC-KOLCDFICSA-N -1 1 345.218 1.406 20 10 EDCDMM CO[C@H]1COC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000291289236 443755550 /nfs/dbraw/zinc/75/55/50/443755550.db2.gz SLULFWPGOWWRKR-QWRGUYRKSA-N -1 1 345.193 1.368 20 10 EDCDMM CCC[C@@H](NC(N)=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277530828 444003016 /nfs/dbraw/zinc/00/30/16/444003016.db2.gz MNLRBDIATASHOQ-SNVBAGLBSA-N -1 1 344.209 1.608 20 10 EDCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])nnn1C ZINC000277576146 444009543 /nfs/dbraw/zinc/00/95/43/444009543.db2.gz RBURYJPVGVMRDU-UHFFFAOYSA-N -1 1 325.166 1.522 20 10 EDCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC2(CCOCC2)O1 ZINC000296253570 444215361 /nfs/dbraw/zinc/21/53/61/444215361.db2.gz LPCIVJPHLOMPEZ-SNVBAGLBSA-N -1 1 325.336 1.647 20 10 EDCDMM CCOCc1nc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])no1 ZINC000296301656 444218401 /nfs/dbraw/zinc/21/84/01/444218401.db2.gz ZUWMCZKCFIPNLN-SSDOTTSWSA-N -1 1 325.296 1.647 20 10 EDCDMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OC)c2O)o1 ZINC000751305610 579800816 /nfs/dbraw/zinc/80/08/16/579800816.db2.gz LSDQVSLFIDXSOX-UHFFFAOYSA-N -1 1 341.341 1.259 20 10 EDCDMM O=C(CNC(=O)C1CC1)NCc1cccc(Br)c1[O-] ZINC000765747070 580150559 /nfs/dbraw/zinc/15/05/59/580150559.db2.gz KOWLXFLCAHTEPR-UHFFFAOYSA-N -1 1 327.178 1.297 20 10 EDCDMM COc1ccncc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769745093 580243962 /nfs/dbraw/zinc/24/39/62/580243962.db2.gz WZVOZXLWKPKHEF-UHFFFAOYSA-N -1 1 337.357 1.420 20 10 EDCDMM C[C@@H](Sc1ncccn1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783092422 580593020 /nfs/dbraw/zinc/59/30/20/580593020.db2.gz FREHYQRWTUBEQN-SECBINFHSA-N -1 1 334.353 1.795 20 10 EDCDMM O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1c(F)ccc(O)c1[O-] ZINC000789991292 580758874 /nfs/dbraw/zinc/75/88/74/580758874.db2.gz ROVXSDJSWYXEHP-SECBINFHSA-N -1 1 335.310 1.780 20 10 EDCDMM CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000792703445 580825133 /nfs/dbraw/zinc/82/51/33/580825133.db2.gz WOGQXZUZUAQTJH-UHFFFAOYSA-N -1 1 342.398 1.952 20 10 EDCDMM C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CCNC(=O)C1 ZINC000898703589 591481221 /nfs/dbraw/zinc/48/12/21/591481221.db2.gz KNDYLHXNHNKAJE-CQSZACIVSA-N -1 1 341.205 1.687 20 10 EDCDMM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000902693106 592047329 /nfs/dbraw/zinc/04/73/29/592047329.db2.gz OENYSHUHWOURRJ-MRXNPFEDSA-N -1 1 333.432 1.411 20 10 EDCDMM O=C(CSc1n[nH]c(=O)[n-]1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839049 593203091 /nfs/dbraw/zinc/20/30/91/593203091.db2.gz VYBLRAJJDIBCAP-UHFFFAOYSA-N -1 1 349.199 1.931 20 10 EDCDMM COC[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CCOC1 ZINC000830530263 594414952 /nfs/dbraw/zinc/41/49/52/594414952.db2.gz YAWYIKXXVNMVMF-AWEZNQCLSA-N -1 1 344.205 1.824 20 10 EDCDMM CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H]1n1cccn1 ZINC000832932925 594785669 /nfs/dbraw/zinc/78/56/69/594785669.db2.gz DGZWAUSSORPFGX-SUHUHFCYSA-N -1 1 335.335 1.582 20 10 EDCDMM CC(C)CO[C@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846255597 595188200 /nfs/dbraw/zinc/18/82/00/595188200.db2.gz JDRIKIFQFXAQIK-LBPRGKRZSA-N -1 1 334.376 1.380 20 10 EDCDMM CCN(C)c1ccc(CN(C)CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000846269941 595192083 /nfs/dbraw/zinc/19/20/83/595192083.db2.gz CLFRMRFDXGOQKM-UHFFFAOYSA-N -1 1 347.459 1.898 20 10 EDCDMM Nc1nccc([C@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)n1 ZINC000846650910 595293826 /nfs/dbraw/zinc/29/38/26/595293826.db2.gz NHERYNHBPLQIOZ-VIFPVBQESA-N -1 1 332.335 1.629 20 10 EDCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])[C@H]1CCC(=O)N1 ZINC000861332589 595945635 /nfs/dbraw/zinc/94/56/35/595945635.db2.gz ICFUFCBAGYBZBQ-GZMMTYOYSA-N -1 1 341.205 1.686 20 10 EDCDMM CCN(C1CCN(Cc2ccc(F)c(F)c2[O-])CC1)S(C)(=O)=O ZINC000876722197 597306142 /nfs/dbraw/zinc/30/61/42/597306142.db2.gz PQFHPRPXUKAESJ-UHFFFAOYSA-N -1 1 348.415 1.916 20 10 EDCDMM CC[C@H](NCc1nnc2n1CCNC2=O)c1cccc(Cl)c1[O-] ZINC000883304947 597710393 /nfs/dbraw/zinc/71/03/93/597710393.db2.gz KUIWRQWPBHOVSP-NSHDSACASA-N -1 1 335.795 1.621 20 10 EDCDMM CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000882712809 598029911 /nfs/dbraw/zinc/02/99/11/598029911.db2.gz NQVFQYGGWBDTLV-GOSISDBHSA-N -1 1 327.815 1.277 20 10 EDCDMM O=C(COC(=O)[C@@H]1COc2ccccc2O1)c1ccc([O-])c(O)c1 ZINC000916590442 696682293 /nfs/dbraw/zinc/68/22/93/696682293.db2.gz BAXPMWWPVPQBBP-INIZCTEOSA-N -1 1 330.292 1.664 20 10 EDCDMM COCCN1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1=O ZINC000282546923 249537247 /nfs/dbraw/zinc/53/72/47/249537247.db2.gz TUQXBJBIMKTOPS-UHFFFAOYSA-N -1 1 326.780 1.496 20 10 EDCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCCC(=O)N1 ZINC000280215564 443675535 /nfs/dbraw/zinc/67/55/35/443675535.db2.gz WIVUTFYBDFORBN-NSHDSACASA-N -1 1 341.205 1.830 20 10 EDCDMM COc1c([O-])c(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000291032757 443737583 /nfs/dbraw/zinc/73/75/83/443737583.db2.gz YPLSEYNNUZSJER-NXEZZACHSA-N -1 1 344.389 1.316 20 10 EDCDMM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c(F)ccc(O)c1[O-])CC2 ZINC000276546098 443741555 /nfs/dbraw/zinc/74/15/55/443741555.db2.gz GUQUAEZRFGFYHP-OLZOCXBDSA-N -1 1 339.363 1.629 20 10 EDCDMM O=C(CSc1nnnn1CC(F)(F)F)c1ccc([O-])c(O)c1 ZINC000299661267 444108575 /nfs/dbraw/zinc/10/85/75/444108575.db2.gz QMMBHBSOJLHNAO-UHFFFAOYSA-N -1 1 334.279 1.622 20 10 EDCDMM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)n1 ZINC000295279976 444174790 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CO[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(O)cc1 ZINC000784730549 580627461 /nfs/dbraw/zinc/62/74/61/580627461.db2.gz VLWICQZNNHKCMB-MRXNPFEDSA-N -1 1 332.308 1.917 20 10 EDCDMM Cn1cc2c(n1)CCC[C@H]2C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000798759094 581007099 /nfs/dbraw/zinc/00/70/99/581007099.db2.gz TXLJYDGWAGDKBJ-LLVKDONJSA-N -1 1 330.340 1.677 20 10 EDCDMM COC(=O)[C@](C)(CO)NCc1cc(C)cc(Br)c1[O-] ZINC000894974168 591504715 /nfs/dbraw/zinc/50/47/15/591504715.db2.gz CJARWOOCMJTUPV-ZDUSSCGKSA-N -1 1 332.194 1.477 20 10 EDCDMM CN(C)c1ccc(CN2CC[C@](O)(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000901900026 591862880 /nfs/dbraw/zinc/86/28/80/591862880.db2.gz DMWLXUPVJWYARK-CQSZACIVSA-N -1 1 332.322 1.793 20 10 EDCDMM COC(=O)[C@@H]1CSCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839936048 593217260 /nfs/dbraw/zinc/21/72/60/593217260.db2.gz YTVMVMGHKIYKFB-QMMMGPOBSA-N -1 1 329.349 1.215 20 10 EDCDMM CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCN2C)NC(=O)[O-])cc1 ZINC000828055231 594331797 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