smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)cc(C[N@@H+](CC(=O)[O-])CC2CC2)c1[O-] ZINC000844937649 955685006 /nfs/dbraw/zinc/68/50/06/955685006.db2.gz XETUPFSZZFCVHO-UHFFFAOYSA-N -1 3 328.206 2.760 20 10 EFCDHM Cc1cc(Br)cc(C[N@H+](CC(=O)[O-])CC2CC2)c1[O-] ZINC000844937649 955685013 /nfs/dbraw/zinc/68/50/13/955685013.db2.gz XETUPFSZZFCVHO-UHFFFAOYSA-N -1 3 328.206 2.760 20 10 EFCDHM Cn1nc(C(=O)[O-])cc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000874039539 956098137 /nfs/dbraw/zinc/09/81/37/956098137.db2.gz NOIFPQGCYXYVBD-UHFFFAOYSA-N -1 3 329.400 2.769 20 10 EFCDHM Cn1nc(C(=O)[O-])cc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000874039539 956098147 /nfs/dbraw/zinc/09/81/47/956098147.db2.gz NOIFPQGCYXYVBD-UHFFFAOYSA-N -1 3 329.400 2.769 20 10 EFCDHM COc1cc(C)c(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001594054310 958014767 /nfs/dbraw/zinc/01/47/67/958014767.db2.gz WHXJUKKVONLPAO-KRWDZBQOSA-N -1 3 327.380 2.893 20 10 EFCDHM COc1cc(C)c(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001594054310 958014781 /nfs/dbraw/zinc/01/47/81/958014781.db2.gz WHXJUKKVONLPAO-KRWDZBQOSA-N -1 3 327.380 2.893 20 10 EFCDHM COc1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC001594058658 958065961 /nfs/dbraw/zinc/06/59/61/958065961.db2.gz BTYIUCPYXSRRKZ-CQSZACIVSA-N -1 3 335.787 2.840 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+]CC2(C(=O)[O-])CCC2)c1[O-] ZINC000854244432 969306944 /nfs/dbraw/zinc/30/69/44/969306944.db2.gz FRYLJLAFWXWBEF-UHFFFAOYSA-N -1 3 328.206 2.808 20 10 EFCDHM COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])C2 ZINC001599632690 994241598 /nfs/dbraw/zinc/24/15/98/994241598.db2.gz KVJXQDFQRXEDOO-BXUZGUMPSA-N -1 3 343.379 2.753 20 10 EFCDHM C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232843 994387020 /nfs/dbraw/zinc/38/70/20/994387020.db2.gz PNHNVRKOZBADNE-ZDUSSCGKSA-N -1 3 341.411 2.805 20 10 EFCDHM C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234324 994399258 /nfs/dbraw/zinc/39/92/58/994399258.db2.gz YIZREPAGXFASRD-PLQHRBFRSA-N -1 3 337.441 2.796 20 10 EFCDHM C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246698 994456901 /nfs/dbraw/zinc/45/69/01/994456901.db2.gz NYDMXHXIVYXFKG-UKRRQHHQSA-N -1 3 329.396 2.592 20 10 EFCDHM C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593249251 994477201 /nfs/dbraw/zinc/47/72/01/994477201.db2.gz MSRSUNFPWNMNKH-ROOHIHILSA-N -1 3 341.407 2.907 20 10 EFCDHM C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593249254 994477550 /nfs/dbraw/zinc/47/75/50/994477550.db2.gz MSRSUNFPWNMNKH-ZLXGRDSLSA-N -1 3 341.407 2.907 20 10 EFCDHM C[C@@H](NCc1ccoc1C(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593311932 994789675 /nfs/dbraw/zinc/78/96/75/994789675.db2.gz VWMZHSRGVMREET-CYBMUJFWSA-N -1 3 330.384 2.665 20 10 EFCDHM CC1(C(=O)[O-])C[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001593807561 996538835 /nfs/dbraw/zinc/53/88/35/996538835.db2.gz FOZCFPNFJBAQNP-UHFFFAOYSA-N -1 3 327.380 2.878 20 10 EFCDHM COc1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)c(O)c1OC ZINC001599560788 998189882 /nfs/dbraw/zinc/18/98/82/998189882.db2.gz SHTZYJUOYQJTHU-UHFFFAOYSA-N -1 3 343.379 2.666 20 10 EFCDHM COc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)c(OC)c1 ZINC001599571171 998367705 /nfs/dbraw/zinc/36/77/05/998367705.db2.gz NLRLIDGCIPEUNX-NSHDSACASA-N -1 3 331.368 2.958 20 10 EFCDHM COc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c([O-])c1 ZINC001599572533 998388655 /nfs/dbraw/zinc/38/86/55/998388655.db2.gz BBPRKXKQEPKVSW-LBPRGKRZSA-N -1 3 331.368 2.543 20 10 EFCDHM Cc1cc(NCc2ccc(N(C)C)c(F)c2)cc(-c2nnn[n-]2)c1 ZINC001581034152 1091062534 /nfs/dbraw/zinc/06/25/34/1091062534.db2.gz QJGREIMDCARXPU-UHFFFAOYSA-N -1 3 326.379 2.992 20 10 EFCDHM Cc1cc(NCc2ccc(N(C)C)c(F)c2)cc(-c2nn[n-]n2)c1 ZINC001581034152 1091062540 /nfs/dbraw/zinc/06/25/40/1091062540.db2.gz QJGREIMDCARXPU-UHFFFAOYSA-N -1 3 326.379 2.992 20 10 EFCDHM [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(F)c1-c1nnn[n-]1 ZINC001582815117 1091675308 /nfs/dbraw/zinc/67/53/08/1091675308.db2.gz ZUCOCPSBJREOGC-UHFFFAOYSA-N -1 3 333.754 2.655 20 10 EFCDHM [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(F)c1-c1nn[n-]n1 ZINC001582815117 1091675314 /nfs/dbraw/zinc/67/53/14/1091675314.db2.gz ZUCOCPSBJREOGC-UHFFFAOYSA-N -1 3 333.754 2.655 20 10 EFCDHM CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCO1 ZINC001589571670 1093108261 /nfs/dbraw/zinc/10/82/61/1093108261.db2.gz KWVCMEJALFNSQD-HZSPNIEDSA-N -1 3 345.447 2.817 20 10 EFCDHM C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953078 1093191611 /nfs/dbraw/zinc/19/16/11/1093191611.db2.gz YNRKQULATFITFU-MEDUHNTESA-N -1 3 336.399 2.769 20 10 EFCDHM C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953079 1093192064 /nfs/dbraw/zinc/19/20/64/1093192064.db2.gz YNRKQULATFITFU-ZBEGNZNMSA-N -1 3 336.399 2.769 20 10 EFCDHM C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957939 1093195435 /nfs/dbraw/zinc/19/54/35/1093195435.db2.gz JOXJYYAUTLFTKD-XIKOKIGWSA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961326 1093196241 /nfs/dbraw/zinc/19/62/41/1093196241.db2.gz LOFWBIVJJRBNNL-TZTCFGBESA-N -1 3 339.802 2.928 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961464 1093196811 /nfs/dbraw/zinc/19/68/11/1093196811.db2.gz CZLQGECPKSMSSY-NEPJUHHUSA-N -1 3 331.420 2.571 20 10 EFCDHM CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@@H]1CCCCO1 ZINC001590461445 1093431999 /nfs/dbraw/zinc/43/19/99/1093431999.db2.gz DURIBIHVXHTHTN-UGFHNGPFSA-N -1 3 331.420 2.571 20 10 EFCDHM CC[C@H]([NH2+]CCCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466236 1093435702 /nfs/dbraw/zinc/43/57/02/1093435702.db2.gz JOGUSSRETLOVAQ-NSHDSACASA-N -1 3 329.326 2.956 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1CC[C@H](SC)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465533 1093436557 /nfs/dbraw/zinc/43/65/57/1093436557.db2.gz IMQAYEPKXBLULP-SUNKGSAMSA-N -1 3 333.461 2.897 20 10 EFCDHM CC[C@@H]([NH2+]CCOC1CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465813 1093436800 /nfs/dbraw/zinc/43/68/00/1093436800.db2.gz GNDKXLWIPWIARG-OAHLLOKOSA-N -1 3 331.420 2.572 20 10 EFCDHM CC[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466505 1093438496 /nfs/dbraw/zinc/43/84/96/1093438496.db2.gz NJSWWMSBGXDHDD-ZPLURGMSSA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@H]([NH2+]CCC(O)(CC)CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469415 1093441718 /nfs/dbraw/zinc/44/17/18/1093441718.db2.gz YTPDKDCJTPDKIK-AWEZNQCLSA-N -1 3 333.436 2.554 20 10 EFCDHM CCN(CCOc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC001590715017 1093551671 /nfs/dbraw/zinc/55/16/71/1093551671.db2.gz DGRALJKGPNWOHO-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM CCN(CCOc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC001590715017 1093551678 /nfs/dbraw/zinc/55/16/78/1093551678.db2.gz DGRALJKGPNWOHO-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM CCOCCC1(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCC1 ZINC001590805785 1093577730 /nfs/dbraw/zinc/57/77/30/1093577730.db2.gz JSEXTIUWKRPOBV-ZDUSSCGKSA-N -1 3 345.447 2.820 20 10 EFCDHM C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)c(F)c1[O-] ZINC001591130399 1093665972 /nfs/dbraw/zinc/66/59/72/1093665972.db2.gz HWQMXATXIQDPTR-UHFFFAOYSA-N -1 3 337.355 2.544 20 10 EFCDHM C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)c(F)c1[O-] ZINC001591130399 1093665975 /nfs/dbraw/zinc/66/59/75/1093665975.db2.gz HWQMXATXIQDPTR-UHFFFAOYSA-N -1 3 337.355 2.544 20 10 EFCDHM COCC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccco1 ZINC001591400150 1093715267 /nfs/dbraw/zinc/71/52/67/1093715267.db2.gz NEBDKIJMNFUOHG-SMDDNHRTSA-N -1 3 343.387 2.594 20 10 EFCDHM COCCC1(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCCC1 ZINC001591401038 1093717559 /nfs/dbraw/zinc/71/75/59/1093717559.db2.gz NVLWYJNQRQLHRH-ZDUSSCGKSA-N -1 3 345.447 2.820 20 10 EFCDHM COc1cc(C)cc(CNc2cc(F)cc(-c3nnn[n-]3)c2)c1O ZINC001591519867 1093748216 /nfs/dbraw/zinc/74/82/16/1093748216.db2.gz AVSFKXFXZHHXFS-UHFFFAOYSA-N -1 3 329.335 2.641 20 10 EFCDHM COc1cc(C)cc(CNc2cc(F)cc(-c3nn[n-]n3)c2)c1O ZINC001591519867 1093748222 /nfs/dbraw/zinc/74/82/22/1093748222.db2.gz AVSFKXFXZHHXFS-UHFFFAOYSA-N -1 3 329.335 2.641 20 10 EFCDHM COc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c(O)c1 ZINC001591601475 1093790426 /nfs/dbraw/zinc/79/04/26/1093790426.db2.gz XSACSYWCGCVUMM-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c(O)c1 ZINC001591601475 1093790433 /nfs/dbraw/zinc/79/04/33/1093790433.db2.gz XSACSYWCGCVUMM-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001591607649 1093794187 /nfs/dbraw/zinc/79/41/87/1093794187.db2.gz GXZNYOHLNVKMFW-OAHLLOKOSA-N -1 3 336.399 2.566 20 10 EFCDHM COc1ccc(N(Cc2cncc(-c3nnn[n-]3)c2)CC2CC2)cc1 ZINC001591607941 1093795043 /nfs/dbraw/zinc/79/50/43/1093795043.db2.gz LLDGXZDBFOYMMS-UHFFFAOYSA-N -1 3 336.399 2.687 20 10 EFCDHM COc1ccc(N(Cc2cncc(-c3nn[n-]n3)c2)CC2CC2)cc1 ZINC001591607941 1093795048 /nfs/dbraw/zinc/79/50/48/1093795048.db2.gz LLDGXZDBFOYMMS-UHFFFAOYSA-N -1 3 336.399 2.687 20 10 EFCDHM COc1ccc(O)c(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001591618424 1093801356 /nfs/dbraw/zinc/80/13/56/1093801356.db2.gz KLULRTLFKSAFBS-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc(O)c(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001591618424 1093801362 /nfs/dbraw/zinc/80/13/62/1093801362.db2.gz KLULRTLFKSAFBS-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc2c(c1)CCN2Cc1cccc(F)c1-c1nnn[n-]1 ZINC001591626280 1093804148 /nfs/dbraw/zinc/80/41/48/1093804148.db2.gz BZBWFYBKRUYTHW-UHFFFAOYSA-N -1 3 325.347 2.577 20 10 EFCDHM COc1ccc2c(c1)CCN2Cc1cccc(F)c1-c1nn[n-]n1 ZINC001591626280 1093804152 /nfs/dbraw/zinc/80/41/52/1093804152.db2.gz BZBWFYBKRUYTHW-UHFFFAOYSA-N -1 3 325.347 2.577 20 10 EFCDHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1O ZINC001591769100 1093852254 /nfs/dbraw/zinc/85/22/54/1093852254.db2.gz BSZPFHKENWJIOG-VIFPVBQESA-N -1 3 343.774 2.717 20 10 EFCDHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1O ZINC001591769100 1093852256 /nfs/dbraw/zinc/85/22/56/1093852256.db2.gz BSZPFHKENWJIOG-VIFPVBQESA-N -1 3 343.774 2.717 20 10 EFCDHM Cc1cc(NCc2c(O)ccc3c2CCCC3)ncc1-c1nnn[n-]1 ZINC001592052622 1093968740 /nfs/dbraw/zinc/96/87/40/1093968740.db2.gz QIJOGDMUTWSEIZ-UHFFFAOYSA-N -1 3 336.399 2.767 20 10 EFCDHM Cc1cc(NCc2c(O)ccc3c2CCCC3)ncc1-c1nn[n-]n1 ZINC001592052622 1093968746 /nfs/dbraw/zinc/96/87/46/1093968746.db2.gz QIJOGDMUTWSEIZ-UHFFFAOYSA-N -1 3 336.399 2.767 20 10 EFCDHM Cc1cccc(F)c1NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001592232899 1094042410 /nfs/dbraw/zinc/04/24/10/1094042410.db2.gz SCGKDMNCKYEECH-UHFFFAOYSA-N -1 3 343.391 2.628 20 10 EFCDHM Cc1cccc(F)c1NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001592232899 1094042417 /nfs/dbraw/zinc/04/24/17/1094042417.db2.gz SCGKDMNCKYEECH-UHFFFAOYSA-N -1 3 343.391 2.628 20 10 EFCDHM Cc1csc(CCC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592314937 1094074184 /nfs/dbraw/zinc/07/41/84/1094074184.db2.gz YVUCTUPGDOJIKF-NSHDSACASA-N -1 3 344.444 2.621 20 10 EFCDHM Cc1ncccc1C=CC(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592426898 1094104960 /nfs/dbraw/zinc/10/49/60/1094104960.db2.gz YNOOGFTWCPXHEZ-CLFYSBASSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ncccc1C=CC(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592426898 1094104963 /nfs/dbraw/zinc/10/49/63/1094104963.db2.gz YNOOGFTWCPXHEZ-CLFYSBASSA-N -1 3 346.394 2.563 20 10 EFCDHM O=C(NCc1cc(Cl)ccc1O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001593121503 1094225109 /nfs/dbraw/zinc/22/51/09/1094225109.db2.gz GWWDNSBSSLNOQS-UHFFFAOYSA-N -1 3 344.762 2.547 20 10 EFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1C1CCC1 ZINC001593376313 1094300476 /nfs/dbraw/zinc/30/04/76/1094300476.db2.gz HUXDJNDJBXPIOE-XYOKQWHBSA-N -1 3 343.437 2.620 20 10 EFCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1C1CCC1 ZINC001593376313 1094300483 /nfs/dbraw/zinc/30/04/83/1094300483.db2.gz HUXDJNDJBXPIOE-XYOKQWHBSA-N -1 3 343.437 2.620 20 10 EFCDHM O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cccc(O)c1[O-] ZINC000588612068 1094372833 /nfs/dbraw/zinc/37/28/33/1094372833.db2.gz IBYLNNVYKBBSES-SREVYHEPSA-N -1 3 329.337 2.965 20 10 EFCDHM O=C([O-])c1cnc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC001602518925 1096278861 /nfs/dbraw/zinc/27/88/61/1096278861.db2.gz LNIBEAAEVIVRFN-UHFFFAOYSA-N -1 3 327.384 2.825 20 10 EFCDHM O=C([O-])c1cnc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC001602518925 1096278868 /nfs/dbraw/zinc/27/88/68/1096278868.db2.gz LNIBEAAEVIVRFN-UHFFFAOYSA-N -1 3 327.384 2.825 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658573 1096581012 /nfs/dbraw/zinc/58/10/12/1096581012.db2.gz TXQNDHQBHCPHKU-GAQJKIJGSA-N -1 3 335.358 2.657 20 10 EFCDHM C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658027 1096581351 /nfs/dbraw/zinc/58/13/51/1096581351.db2.gz RLUAEEMBASNCAW-SDBXPKJASA-N -1 3 342.230 2.807 20 10 EFCDHM CC[C@@H]([NH2+]CCC1(COC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054192 1096712595 /nfs/dbraw/zinc/71/25/95/1096712595.db2.gz GSHWVPLYTZISKT-OAHLLOKOSA-N -1 3 345.447 2.820 20 10 EFCDHM C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604344063 1096821644 /nfs/dbraw/zinc/82/16/44/1096821644.db2.gz YVZCZHUAVMHLCB-SNVBAGLBSA-N -1 3 334.338 2.625 20 10 EFCDHM COc1ccc2c(c1)CCCN2Cc1csc(-c2nnn[n-]2)c1 ZINC001605308800 1097089874 /nfs/dbraw/zinc/08/98/74/1097089874.db2.gz LQKPGHNZXVDNMK-UHFFFAOYSA-N -1 3 327.413 2.890 20 10 EFCDHM Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)cc(-c2nnn[n-]2)c1 ZINC001605713558 1097204190 /nfs/dbraw/zinc/20/41/90/1097204190.db2.gz USIXOCWJMVMQPX-NSHDSACASA-N -1 3 338.371 2.763 20 10 EFCDHM Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)cc(-c2nn[n-]n2)c1 ZINC001605713558 1097204195 /nfs/dbraw/zinc/20/41/95/1097204195.db2.gz USIXOCWJMVMQPX-NSHDSACASA-N -1 3 338.371 2.763 20 10 EFCDHM Oc1cccc(Br)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC001607111505 1097518307 /nfs/dbraw/zinc/51/83/07/1097518307.db2.gz XBUOXCVYZVTSJT-UHFFFAOYSA-N -1 3 346.188 2.947 20 10 EFCDHM COc1cc(CN2CCc3c(cccc3C(=O)[O-])C2)c(O)cc1C ZINC001607157587 1097546361 /nfs/dbraw/zinc/54/63/61/1097546361.db2.gz KDPNEXOUJPKIAK-UHFFFAOYSA-N -1 3 327.380 2.966 20 10 EFCDHM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc(C)cc1O)CC2 ZINC001607215200 1097563501 /nfs/dbraw/zinc/56/35/01/1097563501.db2.gz JBBMCUBBNPXTHW-UHFFFAOYSA-N -1 3 327.380 2.966 20 10 EFCDHM COc1ccc(O)c(CNCc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001607277573 1097582650 /nfs/dbraw/zinc/58/26/50/1097582650.db2.gz HXESOHRHLWSBPL-LBPRGKRZSA-N -1 3 331.368 2.543 20 10 EFCDHM O=C([O-])c1sccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001609009188 1098108215 /nfs/dbraw/zinc/10/82/15/1098108215.db2.gz HFANMVSQDUWYHZ-UHFFFAOYSA-N -1 3 346.452 2.697 20 10 EFCDHM CCc1nnc(-c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)o1 ZINC001609255245 1098228435 /nfs/dbraw/zinc/22/84/35/1098228435.db2.gz IFZYXAAOBOOTSD-UHFFFAOYSA-N -1 3 335.371 2.887 20 10 EFCDHM COc1ccc2c(c1)CCN2Cc1ccc(-c2nnn[n-]2)cc1F ZINC001609359642 1098266321 /nfs/dbraw/zinc/26/63/21/1098266321.db2.gz CKYMJIDAPDKSJW-UHFFFAOYSA-N -1 3 325.347 2.577 20 10 EFCDHM COc1ccc2c(c1)CCN2Cc1ccc(-c2nn[n-]n2)cc1F ZINC001609359642 1098266325 /nfs/dbraw/zinc/26/63/25/1098266325.db2.gz CKYMJIDAPDKSJW-UHFFFAOYSA-N -1 3 325.347 2.577 20 10 EFCDHM Cc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(O)c1O ZINC001609419894 1098304616 /nfs/dbraw/zinc/30/46/16/1098304616.db2.gz IGTNOVNXCUCULL-JTQLQIEISA-N -1 3 340.339 2.504 20 10 EFCDHM Cc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(O)c1O ZINC001609419894 1098304624 /nfs/dbraw/zinc/30/46/24/1098304624.db2.gz IGTNOVNXCUCULL-JTQLQIEISA-N -1 3 340.339 2.504 20 10 EFCDHM Cc1cccc(C)c1NC(=S)NNc1ccc(-c2nn[n-]n2)cc1 ZINC001609430690 1098315080 /nfs/dbraw/zinc/31/50/80/1098315080.db2.gz LECJLCOGHSLBGW-UHFFFAOYSA-N -1 3 339.428 2.797 20 10 EFCDHM C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609772301 1098452528 /nfs/dbraw/zinc/45/25/28/1098452528.db2.gz IZYKJLYEMRZZNX-CJNGLKHVSA-N -1 3 329.396 2.907 20 10 EFCDHM CCCC[C@@H](CC)CN1CCC12CN(C(=O)c1cc([O-])[nH]c(=O)c1)C2 ZINC001269919457 1098522513 /nfs/dbraw/zinc/52/25/13/1098522513.db2.gz RCDHMDGBULTDBS-CQSZACIVSA-N -1 3 347.459 2.610 20 10 EFCDHM COc1cc(Br)cc(C[N@@H+](CC(=O)[O-])CC(C)C)c1[O-] ZINC001610280108 1098599788 /nfs/dbraw/zinc/59/97/88/1098599788.db2.gz WPQRFQRORJWUEB-UHFFFAOYSA-N -1 3 346.221 2.706 20 10 EFCDHM COc1cc(Br)cc(C[N@H+](CC(=O)[O-])CC(C)C)c1[O-] ZINC001610280108 1098599796 /nfs/dbraw/zinc/59/97/96/1098599796.db2.gz WPQRFQRORJWUEB-UHFFFAOYSA-N -1 3 346.221 2.706 20 10 EFCDHM Cn1ncc(Br)c1CNCc1c([O-])cccc1Cl ZINC000693500651 1102669755 /nfs/dbraw/zinc/66/97/55/1102669755.db2.gz KEXZKDDPBDWCNY-UHFFFAOYSA-N -1 3 330.613 2.831 20 10 EFCDHM O=C1OCCCN1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000897591499 1105816033 /nfs/dbraw/zinc/81/60/33/1105816033.db2.gz DUJKXIOMXGOTOJ-UHFFFAOYSA-N -1 3 342.798 2.991 20 10 EFCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[C@]1(O)C(F)(F)F ZINC001142508975 1106037829 /nfs/dbraw/zinc/03/78/29/1106037829.db2.gz RKORSPDHWYYOPJ-ISVAXAHUSA-N -1 3 325.277 2.806 20 10 EFCDHM CN(CC1CN(Cc2cc(F)c(F)cc2[O-])C1)C(=O)OC(C)(C)C ZINC001142509189 1106041570 /nfs/dbraw/zinc/04/15/70/1106041570.db2.gz ZYSCDTIITICEQL-UHFFFAOYSA-N -1 3 342.386 2.969 20 10 EFCDHM O=C1c2ccccc2CN1[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530431 1106225822 /nfs/dbraw/zinc/22/58/22/1106225822.db2.gz HGUPWDRVOJZUOP-AWEZNQCLSA-N -1 3 344.361 2.901 20 10 EFCDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])C[C@@H](C)O1 ZINC001232974087 1107488762 /nfs/dbraw/zinc/48/87/62/1107488762.db2.gz HWVFLCXGNBRWMZ-NXEZZACHSA-N -1 3 347.196 2.606 20 10 EFCDHM C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)CC[C@@H]1O ZINC001233027406 1107545467 /nfs/dbraw/zinc/54/54/67/1107545467.db2.gz RELWULNISQTHFQ-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC(N2CCCCC2)C1 ZINC001233031543 1107552927 /nfs/dbraw/zinc/55/29/27/1107552927.db2.gz GATHJBSCZUDLTP-UHFFFAOYSA-N -1 3 343.240 2.964 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](CCO)C1 ZINC001235303158 1111732193 /nfs/dbraw/zinc/73/21/93/1111732193.db2.gz LPAAPHDELUZUSW-SNVBAGLBSA-N -1 3 332.213 2.888 20 10 EFCDHM CCCCC(=O)NCCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089807041 1113061119 /nfs/dbraw/zinc/06/11/19/1113061119.db2.gz FLYCWYMHASCBLM-UHFFFAOYSA-N -1 3 348.403 2.528 20 10 EFCDHM C[S@](=O)c1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168526493 1118716719 /nfs/dbraw/zinc/71/67/19/1118716719.db2.gz XDCFFTNQZKJFBI-QHCPKHFHSA-N -1 3 348.815 2.733 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1[O-] ZINC000271741485 301069738 /nfs/dbraw/zinc/06/97/38/301069738.db2.gz ABKQKYMURKMTFV-BFKGZMGPSA-N -1 3 346.290 2.804 20 10 EFCDHM C[C@H](NCC(=O)NCC(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000280883522 299275866 /nfs/dbraw/zinc/27/58/66/299275866.db2.gz ONUOEOPXOJOFQV-LURJTMIESA-N -1 3 327.158 2.731 20 10 EFCDHM C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000280925103 299284578 /nfs/dbraw/zinc/28/45/78/299284578.db2.gz HQGSXPUBWJIRFO-QMMMGPOBSA-N -1 3 338.256 2.927 20 10 EFCDHM CCCOc1ccc(CN2CCO[C@@H](c3cnn(CC)c3)C2)c([O-])c1 ZINC000191709620 240003443 /nfs/dbraw/zinc/00/34/43/240003443.db2.gz DTUBHYPPTZIECR-LJQANCHMSA-N -1 3 345.443 2.971 20 10 EFCDHM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC000192990410 240079208 /nfs/dbraw/zinc/07/92/08/240079208.db2.gz QPAPOZBTXMDJJP-KDOFPFPSSA-N -1 3 327.380 2.996 20 10 EFCDHM CC1(C)CCN(Cc2c([O-])ccc3ccccc32)CCS1(=O)=O ZINC000193380052 240102452 /nfs/dbraw/zinc/10/24/52/240102452.db2.gz OBCRVFLHNFQQKF-UHFFFAOYSA-N -1 3 333.453 2.945 20 10 EFCDHM COCCN(Cc1ccco1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278192242 240800302 /nfs/dbraw/zinc/80/03/02/240800302.db2.gz IAOBJXLBMJAMHM-UHFFFAOYSA-N -1 3 336.344 2.551 20 10 EFCDHM C[C@@H](NCc1ccc(OCc2ccccc2)cc1[O-])c1ncn(C)n1 ZINC000276150612 240764214 /nfs/dbraw/zinc/76/42/14/240764214.db2.gz DYFBIRKVYYNEHO-CQSZACIVSA-N -1 3 338.411 2.951 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C1CC(F)(F)C1 ZINC000277255019 240777105 /nfs/dbraw/zinc/77/71/05/240777105.db2.gz IIGYWYWSSAMGMS-UHFFFAOYSA-N -1 3 330.718 2.608 20 10 EFCDHM Cc1c(NC(=O)c2ccc(C)c(O)c2[O-])cnn1C1CCOCC1 ZINC000296161339 241076264 /nfs/dbraw/zinc/07/62/64/241076264.db2.gz QZEICLZXNBQPRN-UHFFFAOYSA-N -1 3 331.372 2.515 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC[C@H](OC(=O)N(C)C)C2)c1[O-] ZINC000294702944 241049153 /nfs/dbraw/zinc/04/91/53/241049153.db2.gz DCCOADWGSLRPFV-ZDUSSCGKSA-N -1 3 342.823 2.717 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC(c3ccncn3)CC2)c1[O-] ZINC000298101962 241141379 /nfs/dbraw/zinc/14/13/79/241141379.db2.gz IYIIFDHHAWOTLP-UHFFFAOYSA-N -1 3 329.375 2.904 20 10 EFCDHM COc1ccnc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301209675 241186996 /nfs/dbraw/zinc/18/69/96/241186996.db2.gz SYMXBAWRVMYEBA-AWEZNQCLSA-N -1 3 348.834 2.921 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000366263243 242346939 /nfs/dbraw/zinc/34/69/39/242346939.db2.gz CAGLNBPIVHMKFE-HNNXBMFYSA-N -1 3 339.798 2.853 20 10 EFCDHM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1[O-] ZINC000069818242 203054220 /nfs/dbraw/zinc/05/42/20/203054220.db2.gz VIBWUTUKEXBWHO-LBPRGKRZSA-N -1 3 329.356 2.759 20 10 EFCDHM CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976346 203085409 /nfs/dbraw/zinc/08/54/09/203085409.db2.gz RPYNJRYURCJDMH-RDJZCZTQSA-N -1 3 334.460 2.534 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000186987077 296253755 /nfs/dbraw/zinc/25/37/55/296253755.db2.gz IOIXTOCBKRWPJZ-OAHLLOKOSA-N -1 3 333.771 2.965 20 10 EFCDHM COC(=O)[C@@]1(C)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177427691 533139958 /nfs/dbraw/zinc/13/99/58/533139958.db2.gz QGYMOKIUJIVOCW-INIZCTEOSA-N -1 3 325.792 2.633 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c([O-])c1O ZINC000182897258 292059430 /nfs/dbraw/zinc/05/94/30/292059430.db2.gz YJLDXVYFRRZPHS-FQEVSTJZSA-N -1 3 339.391 2.720 20 10 EFCDHM C[C@H]1CN(c2ccc(CNCc3c([O-])cccc3Cl)cn2)CCO1 ZINC000113322523 544569140 /nfs/dbraw/zinc/56/91/40/544569140.db2.gz LFHZOSCMCNAWAX-ZDUSSCGKSA-N -1 3 347.846 2.956 20 10 EFCDHM COCC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccco1 ZINC000278508596 274040105 /nfs/dbraw/zinc/04/01/05/274040105.db2.gz PJRKSXLHRCGDHO-LBPRGKRZSA-N -1 3 336.344 2.769 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[S@](=O)C[C@@H](C)C2)c1[O-] ZINC000277637750 301069834 /nfs/dbraw/zinc/06/98/34/301069834.db2.gz YEYLGYCXXNAOAG-OVWNDWIMSA-N -1 3 346.290 2.664 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CN[C@@]1(CO)COc2ccccc2C1 ZINC000529642108 316937711 /nfs/dbraw/zinc/93/77/11/316937711.db2.gz FAKLZEXPMVCORN-KRWDZBQOSA-N -1 3 337.778 2.641 20 10 EFCDHM CCO[C@H]1C[C@@H](O)C12CCN(Cc1c([O-])cccc1Cl)CC2 ZINC000130248109 472592155 /nfs/dbraw/zinc/59/21/55/472592155.db2.gz SMNYQLQICGFVFX-CVEARBPZSA-N -1 3 325.836 2.798 20 10 EFCDHM COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000120024371 472618666 /nfs/dbraw/zinc/61/86/66/472618666.db2.gz KJNMKBPQQMRJKL-LBPRGKRZSA-N -1 3 332.375 2.507 20 10 EFCDHM O=C(CN(Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCCCCC1 ZINC000072952766 472746621 /nfs/dbraw/zinc/74/66/21/472746621.db2.gz YQEAUGYNLXPZMB-GOSISDBHSA-N -1 3 346.471 2.776 20 10 EFCDHM O=C(c1ccccc1[O-])N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000120823099 472752295 /nfs/dbraw/zinc/75/22/95/472752295.db2.gz ZWYMBAXEDXAYOX-OAHLLOKOSA-N -1 3 327.380 2.919 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000079432782 472862665 /nfs/dbraw/zinc/86/26/65/472862665.db2.gz KLVKGBRKFGSJLP-JSGCOSHPSA-N -1 3 335.297 2.622 20 10 EFCDHM CCCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134265352 472889818 /nfs/dbraw/zinc/88/98/18/472889818.db2.gz ULYABUDKEYGRKH-OAHLLOKOSA-N -1 3 340.851 2.553 20 10 EFCDHM [O-]c1ccc(Br)cc1CN(CCCO)CC(F)(F)F ZINC000093042880 473032474 /nfs/dbraw/zinc/03/24/74/473032474.db2.gz QUZBDAJKXHMTGH-UHFFFAOYSA-N -1 3 342.155 2.901 20 10 EFCDHM [O-]c1ccc(Br)cc1CN(CCO)Cc1cccnc1 ZINC000093085571 473040805 /nfs/dbraw/zinc/04/08/05/473040805.db2.gz YAECDAWFZOTWGX-UHFFFAOYSA-N -1 3 337.217 2.544 20 10 EFCDHM CCCN(CC(=O)N(C)C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000122713302 473050274 /nfs/dbraw/zinc/05/02/74/473050274.db2.gz IASWHEZGMJEQSU-UHFFFAOYSA-N -1 3 326.824 2.548 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000135546804 473091581 /nfs/dbraw/zinc/09/15/81/473091581.db2.gz ULVFZZIFYFELGJ-GJZGRUSLSA-N -1 3 341.860 2.955 20 10 EFCDHM CCCOc1ccc(CN([C@@H](C)CS(C)(=O)=O)C2CC2)c([O-])c1 ZINC000093392800 473099460 /nfs/dbraw/zinc/09/94/60/473099460.db2.gz SYRQYRRVLLYWNM-ZDUSSCGKSA-N -1 3 341.473 2.579 20 10 EFCDHM COc1ccccc1CNC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109773024 473119645 /nfs/dbraw/zinc/11/96/45/473119645.db2.gz AZKAEUOUKJJQPD-CQSZACIVSA-N -1 3 328.412 2.538 20 10 EFCDHM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1C ZINC000109773336 473119706 /nfs/dbraw/zinc/11/97/06/473119706.db2.gz CVOXBJMETIVGAU-ZDUSSCGKSA-N -1 3 344.411 2.827 20 10 EFCDHM [O-]c1ccccc1CN(Cc1nc(C2CC2)no1)C[C@@H]1CCCO1 ZINC000109761581 473120053 /nfs/dbraw/zinc/12/00/53/473120053.db2.gz QNJDQGLNNQATGG-HNNXBMFYSA-N -1 3 329.400 2.834 20 10 EFCDHM COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])cc1OC ZINC000109773009 473120623 /nfs/dbraw/zinc/12/06/23/473120623.db2.gz VAMJEMKRWCVTGA-CYBMUJFWSA-N -1 3 344.411 2.868 20 10 EFCDHM Cn1cnnc1[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000093809521 473146291 /nfs/dbraw/zinc/14/62/91/473146291.db2.gz IJOOMMHRQOOZQK-GFCCVEGCSA-N -1 3 337.221 2.620 20 10 EFCDHM CC(C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1 ZINC000094107038 473177546 /nfs/dbraw/zinc/17/75/46/473177546.db2.gz IOHAVNOAEKRTJH-UHFFFAOYSA-N -1 3 340.445 2.557 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCO1 ZINC000075416614 473184409 /nfs/dbraw/zinc/18/44/09/473184409.db2.gz BAIAUVGDQDNAKK-CYBMUJFWSA-N -1 3 328.206 2.682 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c[nH]nc1C ZINC000075416772 473185139 /nfs/dbraw/zinc/18/51/39/473185139.db2.gz HMLCSMVXWLFZQH-UHFFFAOYSA-N -1 3 338.205 2.849 20 10 EFCDHM COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c(OC)c1 ZINC000111235631 473197950 /nfs/dbraw/zinc/19/79/50/473197950.db2.gz OULTVLPUHVVVEF-ZDUSSCGKSA-N -1 3 344.411 2.868 20 10 EFCDHM Cc1cn2c(nc(C)c2CN(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000185893752 473540555 /nfs/dbraw/zinc/54/05/55/473540555.db2.gz SSTMLAZPOPRZKN-UHFFFAOYSA-N -1 3 331.397 2.696 20 10 EFCDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000127119173 473579099 /nfs/dbraw/zinc/57/90/99/473579099.db2.gz NMAMNJWKRUILRZ-INIZCTEOSA-N -1 3 335.835 2.725 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c([O-])c1O ZINC000179405846 473684971 /nfs/dbraw/zinc/68/49/71/473684971.db2.gz PSMJMEWIBBYBKJ-UHFFFAOYSA-N -1 3 340.379 2.895 20 10 EFCDHM Cc1cc(Br)cc(CN2CCC[C@H]2C(=O)N(C)C)c1[O-] ZINC000179636805 473700907 /nfs/dbraw/zinc/70/09/07/473700907.db2.gz GPTRVTNXUSBPFN-ZDUSSCGKSA-N -1 3 341.249 2.516 20 10 EFCDHM COC(=O)C[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000179886970 473750334 /nfs/dbraw/zinc/75/03/34/473750334.db2.gz QHUXFEOMWWUSOG-GFCCVEGCSA-N -1 3 328.206 2.682 20 10 EFCDHM CC[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1[O-] ZINC000287781715 473757840 /nfs/dbraw/zinc/75/78/40/473757840.db2.gz SDSJFMFYNKOOJS-CABCVRRESA-N -1 3 348.834 2.625 20 10 EFCDHM CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(O)c1[O-] ZINC000186800590 473759878 /nfs/dbraw/zinc/75/98/78/473759878.db2.gz AAWKKAIBKFPTTP-UHFFFAOYSA-N -1 3 326.396 2.970 20 10 EFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000186887687 473774947 /nfs/dbraw/zinc/77/49/47/473774947.db2.gz VMHQWBKHGZXDFA-LLVKDONJSA-N -1 3 340.379 2.937 20 10 EFCDHM O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(O)c1[O-] ZINC000186980122 473794283 /nfs/dbraw/zinc/79/42/83/473794283.db2.gz PHVJRLRNLSRUSM-UHFFFAOYSA-N -1 3 340.379 2.976 20 10 EFCDHM C[C@H]1COCCN1c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000187115354 473820198 /nfs/dbraw/zinc/82/01/98/473820198.db2.gz WDVXYJNCKHFHMS-LBPRGKRZSA-N -1 3 328.368 2.575 20 10 EFCDHM CCc1nsc(N2CCCN(Cc3cc(F)ccc3[O-])CC2)n1 ZINC000180250851 473839200 /nfs/dbraw/zinc/83/92/00/473839200.db2.gz ZHWBSAJDJXQQMG-UHFFFAOYSA-N -1 3 336.436 2.658 20 10 EFCDHM COc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])c(C)c1OC ZINC000288079983 473841904 /nfs/dbraw/zinc/84/19/04/473841904.db2.gz PKJIWZJESFRWRX-LLVKDONJSA-N -1 3 331.368 2.914 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180278728 473845396 /nfs/dbraw/zinc/84/53/96/473845396.db2.gz NPVNMGSXHHKXLE-PKOBYXMFSA-N -1 3 331.387 2.856 20 10 EFCDHM [O-]c1ccc(F)cc1CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281814303 473845598 /nfs/dbraw/zinc/84/55/98/473845598.db2.gz OBUBVXRVWHAUDE-QUCCMNQESA-N -1 3 342.414 2.617 20 10 EFCDHM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000281829242 473851939 /nfs/dbraw/zinc/85/19/39/473851939.db2.gz OTVSBPPWBDDTEH-AWEZNQCLSA-N -1 3 329.400 2.990 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c(C)c1O ZINC000274753655 473944757 /nfs/dbraw/zinc/94/47/57/473944757.db2.gz FLTOYODQRPBVOP-UHFFFAOYSA-N -1 3 349.408 2.889 20 10 EFCDHM C[C@H]1CN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)C[C@H](C)O1 ZINC000275008629 474040576 /nfs/dbraw/zinc/04/05/76/474040576.db2.gz WQWNHJUBTPBYJC-STQMWFEESA-N -1 3 342.395 2.964 20 10 EFCDHM O=C(Nc1ccccc1CN1CCSCC1)c1cccc(O)c1[O-] ZINC000188320371 474058733 /nfs/dbraw/zinc/05/87/33/474058733.db2.gz XJVHXCHSAKYCTA-UHFFFAOYSA-N -1 3 344.436 2.899 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c([O-])c1O ZINC000181776800 474062722 /nfs/dbraw/zinc/06/27/22/474062722.db2.gz FVVMSTFOXLWUHR-AWEZNQCLSA-N -1 3 330.384 2.566 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000188380169 474076675 /nfs/dbraw/zinc/07/66/75/474076675.db2.gz HJCRLOIQFXVTNV-HNNXBMFYSA-N -1 3 335.306 2.590 20 10 EFCDHM CCCCN(Cc1nnnn1CC(F)(F)F)Cc1ccccc1[O-] ZINC000282470705 474078137 /nfs/dbraw/zinc/07/81/37/474078137.db2.gz NSIDYYXTMMNOBB-UHFFFAOYSA-N -1 3 343.353 2.743 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000188413314 474086918 /nfs/dbraw/zinc/08/69/18/474086918.db2.gz POUSMYKGKBESQA-OAHLLOKOSA-N -1 3 333.771 2.965 20 10 EFCDHM COc1ccc([C@H](CCO)NCc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000182414085 474171468 /nfs/dbraw/zinc/17/14/68/474171468.db2.gz QLPJCQIATMCAOZ-SFHVURJKSA-N -1 3 347.386 2.956 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1coc(C)c1 ZINC000189008477 474262267 /nfs/dbraw/zinc/26/22/67/474262267.db2.gz UGVSHAPUFHKSRX-UHFFFAOYSA-N -1 3 337.759 2.762 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c([O-])c1O ZINC000182825747 474264830 /nfs/dbraw/zinc/26/48/30/474264830.db2.gz OVHJVLJRLFYZCU-UHFFFAOYSA-N -1 3 344.386 2.503 20 10 EFCDHM COc1cc(Cl)cc(CN(CCCO)Cc2ccccn2)c1[O-] ZINC000289455454 474277803 /nfs/dbraw/zinc/27/78/03/474277803.db2.gz NTRYVIIUASIIMB-UHFFFAOYSA-N -1 3 336.819 2.834 20 10 EFCDHM Cc1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)O)c([O-])c1O ZINC000182991162 474302742 /nfs/dbraw/zinc/30/27/42/474302742.db2.gz WLXVAAPWQGLIDK-UHFFFAOYSA-N -1 3 329.396 2.820 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cncc(F)c3)CC2)c1[O-] ZINC000270881999 474304839 /nfs/dbraw/zinc/30/48/39/474304839.db2.gz KGDHYAIVSUNHOU-UHFFFAOYSA-N -1 3 347.365 2.590 20 10 EFCDHM C[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1ncn(C)n1 ZINC000275757573 474308318 /nfs/dbraw/zinc/30/83/18/474308318.db2.gz SORMBYANZQAQQE-IUCAKERBSA-N -1 3 325.210 2.695 20 10 EFCDHM COc1ccc(N[C@H](C)c2ccccc2O)cc1[N-]S(C)(=O)=O ZINC000183677178 474411399 /nfs/dbraw/zinc/41/13/99/474411399.db2.gz UZXOYRRBTJOLMH-LLVKDONJSA-N -1 3 336.413 2.945 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC3(C2)CCOCC3)c1[O-] ZINC000271189883 474431434 /nfs/dbraw/zinc/43/14/34/474431434.db2.gz FQYNNWXAVCPOFB-UHFFFAOYSA-N -1 3 326.780 2.956 20 10 EFCDHM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@@H](O)C(F)(F)F ZINC000189542535 474436948 /nfs/dbraw/zinc/43/69/48/474436948.db2.gz QKGQZOSYBGDWMM-GFCCVEGCSA-N -1 3 339.741 2.993 20 10 EFCDHM CCCOc1ccc(CN(C)Cc2nc([C@H](C)OC)no2)c([O-])c1 ZINC000271203212 474438230 /nfs/dbraw/zinc/43/82/30/474438230.db2.gz JMSMBAJWDOQSNK-LBPRGKRZSA-N -1 3 335.404 2.903 20 10 EFCDHM COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276210629 474453894 /nfs/dbraw/zinc/45/38/94/474453894.db2.gz LDNBMQDJAAFUGV-RTBURBONSA-N -1 3 341.407 2.558 20 10 EFCDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000271276125 474470838 /nfs/dbraw/zinc/47/08/38/474470838.db2.gz KYSTYXVQLNKAMJ-MLGOLLRUSA-N -1 3 335.835 2.725 20 10 EFCDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000271276128 474471040 /nfs/dbraw/zinc/47/10/40/474471040.db2.gz KYSTYXVQLNKAMJ-WBMJQRKESA-N -1 3 335.835 2.725 20 10 EFCDHM CCCOc1ccc(CN2C[C@@H](CC)S(=O)(=O)[C@@H](C)C2)c([O-])c1 ZINC000289930299 474489872 /nfs/dbraw/zinc/48/98/72/474489872.db2.gz WJTHITCZIYUCAC-XJKSGUPXSA-N -1 3 341.473 2.579 20 10 EFCDHM CCN(Cc1cc(Cl)cc(OC)c1[O-])C[C@H](O)C(F)(F)F ZINC000189870883 474497409 /nfs/dbraw/zinc/49/74/09/474497409.db2.gz WMEKWGROCASXDI-NSHDSACASA-N -1 3 327.730 2.799 20 10 EFCDHM CN(Cc1ccccc1[O-])c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 ZINC000276357714 474510516 /nfs/dbraw/zinc/51/05/16/474510516.db2.gz VLFORYZFKAJUFQ-UHFFFAOYSA-N -1 3 327.388 2.629 20 10 EFCDHM COC(=O)[C@H](Cc1ccccc1)NCc1cc(Cl)cc(OC)c1[O-] ZINC000276408482 474532609 /nfs/dbraw/zinc/53/26/09/474532609.db2.gz FAZHLHIJBWJZHS-HNNXBMFYSA-N -1 3 349.814 2.928 20 10 EFCDHM CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000241775889 474558964 /nfs/dbraw/zinc/55/89/64/474558964.db2.gz RPYNJRYURCJDMH-DOTOQJQBSA-N -1 3 334.460 2.534 20 10 EFCDHM COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)n1 ZINC000290219524 474561813 /nfs/dbraw/zinc/56/18/13/474561813.db2.gz QSFXWYADKPMGPY-JTQLQIEISA-N -1 3 333.344 2.563 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCCN(CC(F)F)CC1 ZINC000290427359 474570617 /nfs/dbraw/zinc/57/06/17/474570617.db2.gz LDDCVQVJWRCKND-UHFFFAOYSA-N -1 3 349.219 2.928 20 10 EFCDHM C[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276873357 474573581 /nfs/dbraw/zinc/57/35/81/474573581.db2.gz FADIZPYLMOPZQV-LLVKDONJSA-N -1 3 341.379 2.795 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000276965071 474574492 /nfs/dbraw/zinc/57/44/92/474574492.db2.gz UZLHKKVNDDIJCW-UHFFFAOYSA-N -1 3 337.397 2.773 20 10 EFCDHM COc1ccc([C@@H](CN(C)C)NCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284127840 474578746 /nfs/dbraw/zinc/57/87/46/474578746.db2.gz UIGATWIQRFGFJM-QGZVFWFLSA-N -1 3 345.399 2.702 20 10 EFCDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000271757444 474588911 /nfs/dbraw/zinc/58/89/11/474588911.db2.gz DACIWBRWEVNMQH-CJNGLKHVSA-N -1 3 335.835 2.725 20 10 EFCDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000271757449 474589322 /nfs/dbraw/zinc/58/93/22/474589322.db2.gz DACIWBRWEVNMQH-XJKSGUPXSA-N -1 3 335.835 2.725 20 10 EFCDHM CCN1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277585619 474590728 /nfs/dbraw/zinc/59/07/28/474590728.db2.gz RWNHJJBOYNPDQJ-CYBMUJFWSA-N -1 3 341.249 2.645 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[S@@](=O)C[C@@H](C)C2)c1[O-] ZINC000277637737 474591040 /nfs/dbraw/zinc/59/10/40/474591040.db2.gz YEYLGYCXXNAOAG-APBUJDDRSA-N -1 3 346.290 2.664 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000291318524 474599844 /nfs/dbraw/zinc/59/98/44/474599844.db2.gz SIQJKJLTPTXNCF-JTQLQIEISA-N -1 3 336.176 2.604 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(Oc3ncccc3F)CC2)c([O-])c1O ZINC000278180710 474602152 /nfs/dbraw/zinc/60/21/52/474602152.db2.gz BJGPCYQYJADUNA-UHFFFAOYSA-N -1 3 346.358 2.624 20 10 EFCDHM COc1c([O-])c(CN(CCCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278257192 474605683 /nfs/dbraw/zinc/60/56/83/474605683.db2.gz PZQGFWLFSNFNKW-UHFFFAOYSA-N -1 3 346.383 2.694 20 10 EFCDHM COCc1nc(CNCc2cc(Cl)cc(OC)c2[O-])cs1 ZINC000291511167 474607489 /nfs/dbraw/zinc/60/74/89/474607489.db2.gz IJGISEZVGIZVGY-UHFFFAOYSA-N -1 3 328.821 2.947 20 10 EFCDHM CC[C@@H](C)c1nnc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])[nH]1 ZINC000278372386 474625089 /nfs/dbraw/zinc/62/50/89/474625089.db2.gz KUTVYJXNXAWCFY-ZJUUUORDSA-N -1 3 349.391 2.791 20 10 EFCDHM CC[C@@H](C)c1nc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])n[nH]1 ZINC000278372386 474625092 /nfs/dbraw/zinc/62/50/92/474625092.db2.gz KUTVYJXNXAWCFY-ZJUUUORDSA-N -1 3 349.391 2.791 20 10 EFCDHM CC(C)(C)n1cc(CNCc2cccc(Br)c2[O-])nn1 ZINC000278417983 474639159 /nfs/dbraw/zinc/63/91/59/474639159.db2.gz RAKKNSKZVVQPHK-UHFFFAOYSA-N -1 3 339.237 2.791 20 10 EFCDHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000272934132 474644745 /nfs/dbraw/zinc/64/47/45/474644745.db2.gz GMZYWBSPMCCPRH-XIKOKIGWSA-N -1 3 345.395 2.921 20 10 EFCDHM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000272934118 474644788 /nfs/dbraw/zinc/64/47/88/474644788.db2.gz GMZYWBSPMCCPRH-KPZWWZAWSA-N -1 3 345.395 2.921 20 10 EFCDHM CCCOc1ccc(CN2C[C@H](OC)C[C@H]2c2nnc(C)[nH]2)c([O-])c1 ZINC000284691111 474725377 /nfs/dbraw/zinc/72/53/77/474725377.db2.gz ZBBFMFCFNNYERF-CVEARBPZSA-N -1 3 346.431 2.570 20 10 EFCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278675520 474770324 /nfs/dbraw/zinc/77/03/24/474770324.db2.gz JMTCZLAHIYTGOB-ISVAXAHUSA-N -1 3 330.215 2.817 20 10 EFCDHM C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273372611 474864621 /nfs/dbraw/zinc/86/46/21/474864621.db2.gz GKWVVGYZCLJIHN-CYBMUJFWSA-N -1 3 343.383 2.610 20 10 EFCDHM CCNC(=O)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273427665 474891523 /nfs/dbraw/zinc/89/15/23/474891523.db2.gz UTQSVHZGRNFWGO-LBPRGKRZSA-N -1 3 343.383 2.901 20 10 EFCDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCc1ccccc1 ZINC000273434803 474894715 /nfs/dbraw/zinc/89/47/15/474894715.db2.gz WPPITYHXYWIODG-CHWSQXEVSA-N -1 3 343.383 2.656 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc(NC(C)=O)c2)c1 ZINC000273443896 474900165 /nfs/dbraw/zinc/90/01/65/474900165.db2.gz ZIGUPJHYWARQLX-GFCCVEGCSA-N -1 3 342.395 2.988 20 10 EFCDHM C[C@H](NCc1nnc2n1CCC2)c1ccc(Br)cc1[O-] ZINC000273441264 474900601 /nfs/dbraw/zinc/90/06/01/474900601.db2.gz YMBYHQYJTXVWRA-VIFPVBQESA-N -1 3 337.221 2.543 20 10 EFCDHM C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000273447711 474901094 /nfs/dbraw/zinc/90/10/94/474901094.db2.gz FIGXDRDUIGAHAS-SUMWQHHRSA-N -1 3 328.387 2.983 20 10 EFCDHM CCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1CO ZINC000278899212 474901522 /nfs/dbraw/zinc/90/15/22/474901522.db2.gz QWNMQPPGTKWEHP-UHFFFAOYSA-N -1 3 348.355 2.812 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273524548 474944128 /nfs/dbraw/zinc/94/41/28/474944128.db2.gz UXNYDYNGPUYYEZ-QWRGUYRKSA-N -1 3 332.404 2.832 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000273524548 474944135 /nfs/dbraw/zinc/94/41/35/474944135.db2.gz UXNYDYNGPUYYEZ-QWRGUYRKSA-N -1 3 332.404 2.832 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000279625268 474984154 /nfs/dbraw/zinc/98/41/54/474984154.db2.gz ABFHENVOVGAUJU-ABAIWWIYSA-N -1 3 342.233 2.535 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn3c(cccc3C)n2)c1 ZINC000273605891 474988014 /nfs/dbraw/zinc/98/80/14/474988014.db2.gz UAGYZEFUWHDBSD-ZDUSSCGKSA-N -1 3 339.395 2.986 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn3cc(C)ccc3n2)c1 ZINC000273610481 474989011 /nfs/dbraw/zinc/98/90/11/474989011.db2.gz VSJJDEXDEWWHRF-ZDUSSCGKSA-N -1 3 339.395 2.986 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000279852327 474997401 /nfs/dbraw/zinc/99/74/01/474997401.db2.gz PCXOONZUQYMMIZ-CYBMUJFWSA-N -1 3 337.379 2.752 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](O)C(C)C ZINC000285738388 475039412 /nfs/dbraw/zinc/03/94/12/475039412.db2.gz RGIBIPCHCGYYOO-CYBMUJFWSA-N -1 3 330.222 2.520 20 10 EFCDHM O=C1NCCCN(Cc2cccc(Cl)c2[O-])[C@@H]1Cc1ccccc1 ZINC000293731266 475049875 /nfs/dbraw/zinc/04/98/75/475049875.db2.gz UUSZACVMSTWNFT-QGZVFWFLSA-N -1 3 344.842 2.979 20 10 EFCDHM COC(=O)C[C@H]1CSCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000273807401 475060795 /nfs/dbraw/zinc/06/07/95/475060795.db2.gz YDAOMAUALXTNGV-LBPRGKRZSA-N -1 3 345.848 2.535 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(CCCO)Cc2ccccn2)c1[O-] ZINC000280985546 475061482 /nfs/dbraw/zinc/06/14/82/475061482.db2.gz LKOYCSBBDCZICX-UHFFFAOYSA-N -1 3 332.375 2.514 20 10 EFCDHM O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1cccc(O)c1[O-] ZINC000294524406 475069133 /nfs/dbraw/zinc/06/91/33/475069133.db2.gz ZJDDNDZWCDQYDQ-UHFFFAOYSA-N -1 3 345.370 2.759 20 10 EFCDHM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)[C@H](c1ccccc1)N(C)C ZINC000294925554 475091312 /nfs/dbraw/zinc/09/13/12/475091312.db2.gz GXQILLRVYLURRA-MEDUHNTESA-N -1 3 332.375 2.658 20 10 EFCDHM CCN(C)C(=O)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000295033211 475097954 /nfs/dbraw/zinc/09/79/54/475097954.db2.gz LWJJDEWBUAKSCP-ZDUSSCGKSA-N -1 3 343.811 2.546 20 10 EFCDHM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000295244605 475114536 /nfs/dbraw/zinc/11/45/36/475114536.db2.gz BQIIBHQXSGZYKU-NSHDSACASA-N -1 3 338.404 2.521 20 10 EFCDHM CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000295242034 475114632 /nfs/dbraw/zinc/11/46/32/475114632.db2.gz LSVDAOLVBBPVMO-UHFFFAOYSA-N -1 3 346.402 2.961 20 10 EFCDHM COCCN(Cc1ccccn1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000287441833 475148695 /nfs/dbraw/zinc/14/86/95/475148695.db2.gz QEGLSRAYNSKIMB-UHFFFAOYSA-N -1 3 332.375 2.778 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000374891156 476575676 /nfs/dbraw/zinc/57/56/76/476575676.db2.gz BQZYMOFMXRZAEZ-LJQANCHMSA-N -1 3 347.361 2.967 20 10 EFCDHM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(C)c(O)c1[O-] ZINC000378568075 476721429 /nfs/dbraw/zinc/72/14/29/476721429.db2.gz DASOQPUIFHKBOO-AWEZNQCLSA-N -1 3 329.352 2.668 20 10 EFCDHM COc1c([O-])c(CN2CCC(c3c[nH]nc3C)CC2)ccc1[N+](=O)[O-] ZINC000375268799 476749552 /nfs/dbraw/zinc/74/95/52/476749552.db2.gz VZGPHCOUMOETNS-UHFFFAOYSA-N -1 3 346.387 2.720 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1CCCc2c1cnn2CCO ZINC000370455171 476818232 /nfs/dbraw/zinc/81/82/32/476818232.db2.gz NQEYNDBDUXWMPG-ZDUSSCGKSA-N -1 3 339.798 2.541 20 10 EFCDHM O=C(Cc1ccco1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000371214998 477181187 /nfs/dbraw/zinc/18/11/87/477181187.db2.gz HNYLUAZHPLJZBJ-HNNXBMFYSA-N -1 3 348.830 2.962 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2cnc3n2CCCC3)c1[O-] ZINC000368495337 477811215 /nfs/dbraw/zinc/81/12/15/477811215.db2.gz JGKXFPJUUFOEBK-UHFFFAOYSA-N -1 3 336.779 2.776 20 10 EFCDHM CCn1nncc1CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000527920065 478571702 /nfs/dbraw/zinc/57/17/02/478571702.db2.gz LKSRFVOGDQXQES-MRVPVSSYSA-N -1 3 343.200 2.756 20 10 EFCDHM CCN(C(=O)/C=C\c1cncc([O-])c1)c1ccc(OC)c(OC)c1 ZINC000492439079 478989308 /nfs/dbraw/zinc/98/93/08/478989308.db2.gz KLCXACILGMSSDE-YVMONPNESA-N -1 3 328.368 2.871 20 10 EFCDHM Cc1ccc(C(=O)N2CCc3nc(C(C)(C)C)ncc3C2)c([O-])c1O ZINC000529675072 479244025 /nfs/dbraw/zinc/24/40/25/479244025.db2.gz CSAFPUHTCXKTOC-UHFFFAOYSA-N -1 3 341.411 2.692 20 10 EFCDHM Cc1cccc(CN2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000177661797 534706303 /nfs/dbraw/zinc/70/63/03/534706303.db2.gz LTDUGANLFDRTDP-UHFFFAOYSA-N -1 3 340.423 2.673 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCCN(c3nccs3)CC2)c1[O-] ZINC000177267878 527208685 /nfs/dbraw/zinc/20/86/85/527208685.db2.gz RWLKJCPZRLFIEC-UHFFFAOYSA-N -1 3 349.431 2.903 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000177263046 527210437 /nfs/dbraw/zinc/21/04/37/527210437.db2.gz WQKUCCJWPLNXBE-GFCCVEGCSA-N -1 3 333.363 2.805 20 10 EFCDHM CCCCN(Cc1c([O-])cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000160777330 528442104 /nfs/dbraw/zinc/44/21/04/528442104.db2.gz XVRCRPQYOQKPGZ-GFCCVEGCSA-N -1 3 331.865 2.835 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365125340 536862473 /nfs/dbraw/zinc/86/24/73/536862473.db2.gz ZRXZONJZRCOJJP-AWEZNQCLSA-N -1 3 336.388 2.700 20 10 EFCDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])C1CCCCC1 ZINC000755129509 575547727 /nfs/dbraw/zinc/54/77/27/575547727.db2.gz FBRIFFGLBXKIIM-MRXNPFEDSA-N -1 3 337.391 2.945 20 10 EFCDHM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000756333391 575719170 /nfs/dbraw/zinc/71/91/70/575719170.db2.gz QQDNISNDHWVEBS-GOSISDBHSA-N -1 3 344.386 2.578 20 10 EFCDHM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000756350950 575721557 /nfs/dbraw/zinc/72/15/57/575721557.db2.gz QQDNISNDHWVEBS-SFHVURJKSA-N -1 3 344.386 2.578 20 10 EFCDHM C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000756382486 575727524 /nfs/dbraw/zinc/72/75/24/575727524.db2.gz DCMSRDFGZVDUCG-NSHDSACASA-N -1 3 338.404 2.754 20 10 EFCDHM COCCOc1ncccc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756430493 575738282 /nfs/dbraw/zinc/73/82/82/575738282.db2.gz IZWKVSYVULYINQ-LLVKDONJSA-N -1 3 338.354 2.941 20 10 EFCDHM COCCOc1ccc(CN[C@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000756432500 575738470 /nfs/dbraw/zinc/73/84/70/575738470.db2.gz IXZPLTBWIUQDCY-LLVKDONJSA-N -1 3 338.354 2.941 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc3c2OCO3)c1 ZINC000756458224 575742627 /nfs/dbraw/zinc/74/26/27/575742627.db2.gz KMECJBYLXVVQMQ-NSHDSACASA-N -1 3 329.352 2.758 20 10 EFCDHM C[C@@H](NCc1ccc(-n2cncn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756544498 575758571 /nfs/dbraw/zinc/75/85/71/575758571.db2.gz JGNDNGHDKRBSJI-GFCCVEGCSA-N -1 3 339.355 2.732 20 10 EFCDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756664181 575774284 /nfs/dbraw/zinc/77/42/84/575774284.db2.gz MFDGGJRGXQPCLA-SECBINFHSA-N -1 3 325.359 2.826 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000756672752 575775507 /nfs/dbraw/zinc/77/55/07/575775507.db2.gz QWKFBXDUUVIFIN-NSHDSACASA-N -1 3 330.340 2.938 20 10 EFCDHM CC(C)[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)N1CCCC1 ZINC000756704191 575779079 /nfs/dbraw/zinc/77/90/79/575779079.db2.gz GIPDNKGSHYGHOA-LRDDRELGSA-N -1 3 335.404 2.598 20 10 EFCDHM C[C@@H](NCC(=O)NC1CCCC1)c1ccc(Br)cc1[O-] ZINC000756704053 575779103 /nfs/dbraw/zinc/77/91/03/575779103.db2.gz DWYRJHKJIGMHRP-SNVBAGLBSA-N -1 3 341.249 2.864 20 10 EFCDHM C[C@H](N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756837961 575790573 /nfs/dbraw/zinc/79/05/73/575790573.db2.gz KHVIEAGBDCBFPC-PGUXBMHVSA-N -1 3 348.834 2.624 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(CC(F)F)c2)c1 ZINC000756844902 575791436 /nfs/dbraw/zinc/79/14/36/575791436.db2.gz MTHKDVMRVNNWHS-VIFPVBQESA-N -1 3 325.315 2.814 20 10 EFCDHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([O-])cs1 ZINC000757667558 575848740 /nfs/dbraw/zinc/84/87/40/575848740.db2.gz SZGZMBVUCUZMIG-UHFFFAOYSA-N -1 3 348.424 2.953 20 10 EFCDHM CN(Cc1cc(Br)cn1C)C(=O)c1cc([O-])cs1 ZINC000759099324 575884589 /nfs/dbraw/zinc/88/45/89/575884589.db2.gz YXHQOHZAWPTLBK-UHFFFAOYSA-N -1 3 329.219 2.827 20 10 EFCDHM Cc1ccc(CCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)o1 ZINC000761047833 576104537 /nfs/dbraw/zinc/10/45/37/576104537.db2.gz AJGBIWUCNWDEJF-UHFFFAOYSA-N -1 3 348.786 2.954 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC[C@@H](N3CCCC3=O)C2)c1[O-] ZINC000761199348 576128359 /nfs/dbraw/zinc/12/83/59/576128359.db2.gz LRKBRGACVHSNLP-CQSZACIVSA-N -1 3 338.835 2.641 20 10 EFCDHM [O-]c1ccc2ccncc2c1CN1CCN(c2ncccc2F)CC1 ZINC000761299649 576142901 /nfs/dbraw/zinc/14/29/01/576142901.db2.gz NYQAHIUUSBFFNA-UHFFFAOYSA-N -1 3 338.386 2.797 20 10 EFCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000761574214 576182211 /nfs/dbraw/zinc/18/22/11/576182211.db2.gz ZXUYVCAAAIZKJV-LLVKDONJSA-N -1 3 328.397 2.516 20 10 EFCDHM CC(C)(C)C(=O)N1CCC(COC(=O)c2cc([O-])cs2)CC1 ZINC000762888693 576343287 /nfs/dbraw/zinc/34/32/87/576343287.db2.gz ALSLVNLLYFYZSM-UHFFFAOYSA-N -1 3 325.430 2.895 20 10 EFCDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000764157609 576437364 /nfs/dbraw/zinc/43/73/64/576437364.db2.gz QSCPLCPVEQQEIC-JTQLQIEISA-N -1 3 347.367 2.615 20 10 EFCDHM COc1cccc(N2CCN(Cc3c([O-])cccc3OC)CC2)c1 ZINC000768171684 577259281 /nfs/dbraw/zinc/25/92/81/577259281.db2.gz GNJUPJIQSHLVCI-UHFFFAOYSA-N -1 3 328.412 2.732 20 10 EFCDHM Cc1ccccc1[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768444786 577274146 /nfs/dbraw/zinc/27/41/46/577274146.db2.gz CUKMWZDPKXFLMM-UYAOXDASSA-N -1 3 341.407 2.700 20 10 EFCDHM CN(Cc1cccc(C(N)=O)c1)Cc1cccc(Br)c1[O-] ZINC000768926651 577316948 /nfs/dbraw/zinc/31/69/48/577316948.db2.gz LBPICVQCMJTTCU-UHFFFAOYSA-N -1 3 349.228 2.886 20 10 EFCDHM CN(Cc1cccc(C(N)=O)c1)Cc1cc(Br)ccc1[O-] ZINC000768925974 577317114 /nfs/dbraw/zinc/31/71/14/577317114.db2.gz KGLPZDBAYAARAR-UHFFFAOYSA-N -1 3 349.228 2.886 20 10 EFCDHM COc1cccc([O-])c1CN1CCc2c(cccc2NC(C)=O)C1 ZINC000768985037 577322531 /nfs/dbraw/zinc/32/25/31/577322531.db2.gz NYTZUUXPUDXWSO-UHFFFAOYSA-N -1 3 326.396 2.918 20 10 EFCDHM COc1cccc([O-])c1CN1CCCN(C(=O)OCC(C)C)CC1 ZINC000769224697 577345570 /nfs/dbraw/zinc/34/55/70/577345570.db2.gz AMUVPLZXQMPXGI-UHFFFAOYSA-N -1 3 336.432 2.701 20 10 EFCDHM COC(=O)C(C)(C)N(C)Cc1cc(Br)cc(OC)c1[O-] ZINC000769304731 577350639 /nfs/dbraw/zinc/35/06/39/577350639.db2.gz CSRCQKJWDRBTBB-UHFFFAOYSA-N -1 3 346.221 2.547 20 10 EFCDHM COCCN(Cc1ccc2c(c1)OCO2)Cc1c([O-])cccc1OC ZINC000769399373 577359262 /nfs/dbraw/zinc/35/92/62/577359262.db2.gz IGUFUFGUJVKOLQ-UHFFFAOYSA-N -1 3 345.395 2.778 20 10 EFCDHM CCOc1ccc(CN2CCN(c3nc(CC)ns3)CC2)c([O-])c1 ZINC000769485406 577366260 /nfs/dbraw/zinc/36/62/60/577366260.db2.gz QXBYUDLSQIHTKH-UHFFFAOYSA-N -1 3 348.472 2.527 20 10 EFCDHM COc1cc[n-]c(=NNC(=S)Nc2ccc(OC(C)C)cc2)n1 ZINC000726455873 577367049 /nfs/dbraw/zinc/36/70/49/577367049.db2.gz CODRSDIHHGZJHD-UHFFFAOYSA-N -1 3 333.417 2.586 20 10 EFCDHM COc1ccc(N2CCN(Cc3c([O-])cccc3OC)CC2)cc1F ZINC000770303816 577410608 /nfs/dbraw/zinc/41/06/08/577410608.db2.gz ZDDYAQFTQFWAIZ-UHFFFAOYSA-N -1 3 346.402 2.871 20 10 EFCDHM CCOc1ccc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000770333046 577411478 /nfs/dbraw/zinc/41/14/78/577411478.db2.gz VXXFYBPCBZXLMK-MRXNPFEDSA-N -1 3 331.416 2.704 20 10 EFCDHM COc1cccc([O-])c1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000770349236 577412273 /nfs/dbraw/zinc/41/22/73/577412273.db2.gz FMLPAOHSCXMBMF-APWZRJJASA-N -1 3 343.423 2.725 20 10 EFCDHM Cc1ccc(C(=O)NCCN2c3ccccc3C[C@@H]2C)c([O-])c1O ZINC000770481779 577420766 /nfs/dbraw/zinc/42/07/66/577420766.db2.gz SQOBRFZTKFVNPK-ZDUSSCGKSA-N -1 3 326.396 2.587 20 10 EFCDHM Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c([O-])c1O ZINC000770481109 577420782 /nfs/dbraw/zinc/42/07/82/577420782.db2.gz KFYSCAYPTIWATI-UHFFFAOYSA-N -1 3 326.396 2.719 20 10 EFCDHM Cc1ccc(C(=O)NCCN2c3ccccc3C[C@H]2C)c([O-])c1O ZINC000770481777 577420825 /nfs/dbraw/zinc/42/08/25/577420825.db2.gz SQOBRFZTKFVNPK-CYBMUJFWSA-N -1 3 326.396 2.587 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccccc2SCCC(N)=O)c([O-])c1O ZINC000770483128 577420927 /nfs/dbraw/zinc/42/09/27/577420927.db2.gz KFIBXTGRYZGRCP-UHFFFAOYSA-N -1 3 346.408 2.626 20 10 EFCDHM CCN1CCN(c2cccc(NC(=O)c3ccc(F)cc3[O-])c2)CC1 ZINC000771637705 581229256 /nfs/dbraw/zinc/22/92/56/581229256.db2.gz VBTCSUYKTQUVQP-UHFFFAOYSA-N -1 3 343.402 2.926 20 10 EFCDHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(N(C)C)c(F)c1 ZINC000772559175 581340253 /nfs/dbraw/zinc/34/02/53/581340253.db2.gz RMNRCWVRMJEXFN-UHFFFAOYSA-N -1 3 340.395 2.818 20 10 EFCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772931926 581381951 /nfs/dbraw/zinc/38/19/51/581381951.db2.gz JFFATGQCJNFZNX-QWRGUYRKSA-N -1 3 340.445 2.924 20 10 EFCDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773082771 581394959 /nfs/dbraw/zinc/39/49/59/581394959.db2.gz ALGKNRSGUODNID-GFCCVEGCSA-N -1 3 349.412 2.700 20 10 EFCDHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773085508 581395189 /nfs/dbraw/zinc/39/51/89/581395189.db2.gz WSOROAUVQPEFPY-ZDUSSCGKSA-N -1 3 336.461 2.570 20 10 EFCDHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773088920 581395851 /nfs/dbraw/zinc/39/58/51/581395851.db2.gz QBJATKKNACTWDX-LLVKDONJSA-N -1 3 339.486 2.811 20 10 EFCDHM C[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000773908991 581473325 /nfs/dbraw/zinc/47/33/25/581473325.db2.gz ZHYVZVPNCOCAMN-CYUIRQCWSA-N -1 3 335.407 2.714 20 10 EFCDHM C[C@H](NC[C@H](C)S(C)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000774266608 581488427 /nfs/dbraw/zinc/48/84/27/581488427.db2.gz REMOAPHNAQGJON-YUMQZZPRSA-N -1 3 326.245 2.783 20 10 EFCDHM C[C@H](NCc1nnnn1CC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774354708 581490084 /nfs/dbraw/zinc/49/00/84/581490084.db2.gz FCROIKBFWAAQAU-QMMMGPOBSA-N -1 3 342.230 2.946 20 10 EFCDHM COc1c([O-])c(CNc2ccc(NC(C)=O)cc2)ccc1[N+](=O)[O-] ZINC000774933233 581504476 /nfs/dbraw/zinc/50/44/76/581504476.db2.gz BAJRCQGBFKYDHQ-UHFFFAOYSA-N -1 3 331.328 2.880 20 10 EFCDHM O=C([O-])c1occc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000740282000 600313766 /nfs/dbraw/zinc/31/37/66/600313766.db2.gz POLJJBBDTWXKFO-OAHLLOKOSA-N -1 3 331.368 2.865 20 10 EFCDHM COc1cc(Br)cc(C[NH2+]C(C)(C)CC(=O)[O-])c1[O-] ZINC000737846398 600799398 /nfs/dbraw/zinc/79/93/98/600799398.db2.gz XLPMBIJXEJIBAK-UHFFFAOYSA-N -1 3 332.194 2.506 20 10 EFCDHM COc1cc(OC)cc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])c1 ZINC000832058453 602170806 /nfs/dbraw/zinc/17/08/06/602170806.db2.gz ZPFVAGWUNXOXAZ-GOSISDBHSA-N -1 3 343.379 2.554 20 10 EFCDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(N(C)C)cc1 ZINC000825782969 607975151 /nfs/dbraw/zinc/97/51/51/607975151.db2.gz XKXJZGOLLROHRS-UHFFFAOYSA-N -1 3 333.399 2.969 20 10 EFCDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(N(C)C)cc1 ZINC000825782969 607975152 /nfs/dbraw/zinc/97/51/52/607975152.db2.gz XKXJZGOLLROHRS-UHFFFAOYSA-N -1 3 333.399 2.969 20 10 EFCDHM CN(C(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825812617 607978831 /nfs/dbraw/zinc/97/88/31/607978831.db2.gz ORJTYTVZASUDRR-VURMDHGXSA-N -1 3 340.774 2.591 20 10 EFCDHM CN(C(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825812617 607978832 /nfs/dbraw/zinc/97/88/32/607978832.db2.gz ORJTYTVZASUDRR-VURMDHGXSA-N -1 3 340.774 2.591 20 10 EFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)ccc1O ZINC000825631515 609476909 /nfs/dbraw/zinc/47/69/09/609476909.db2.gz BWOFBCHJRHUOHK-UHFFFAOYSA-N -1 3 325.372 2.892 20 10 EFCDHM CC(C)(CO)[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000185878425 1253259753 /nfs/dbraw/zinc/25/97/53/1253259753.db2.gz BJWFSLXRVDGHEH-OAHLLOKOSA-N -1 3 329.396 2.630 20 10 EFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cccc(F)c2[O-])N1CC(F)(F)F ZINC001273305006 1266114783 /nfs/dbraw/zinc/11/47/83/1266114783.db2.gz WVPNKGOAAXLWTF-CHWSQXEVSA-N -1 3 346.324 2.659 20 10 EFCDHM C[C@@H](NCc1c(Br)cnn1C)c1ccc(F)cc1[O-] ZINC000710551859 1259828595 /nfs/dbraw/zinc/82/85/95/1259828595.db2.gz NBYDUNMNEVCKCX-MRVPVSSYSA-N -1 3 328.185 2.878 20 10 EFCDHM Cc1cc(C)n(-c2ccccc2CNC(=O)c2cccc(O)c2[O-])n1 ZINC000187189465 1261878820 /nfs/dbraw/zinc/87/88/20/1261878820.db2.gz WLOYKAVLZCIXLR-UHFFFAOYSA-N -1 3 337.379 2.830 20 10 EFCDHM Cc1cc([O-])c(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1Cl ZINC000824849954 1278313822 /nfs/dbraw/zinc/31/38/22/1278313822.db2.gz JPGJQQAZAVBESX-HNNXBMFYSA-N -1 3 341.835 2.897 20 10 EFCDHM CC(C)CN1CC[C@@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273378872 1269276952 /nfs/dbraw/zinc/27/69/52/1269276952.db2.gz QKIDDKVEMGAMBP-SFHVURJKSA-N -1 3 338.398 2.893 20 10 EFCDHM CCc1nnc(CNCc2ccc(Br)cc2[O-])s1 ZINC000691487679 1274716734 /nfs/dbraw/zinc/71/67/34/1274716734.db2.gz HQDSXVSEJUXPFV-UHFFFAOYSA-N -1 3 328.235 2.858 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H]1C ZINC000787326941 1275757500 /nfs/dbraw/zinc/75/75/00/1275757500.db2.gz KDRLTYKOYUFKRF-ZANVPECISA-N -1 3 325.792 2.632 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC(=O)N(C)[C@H]2c2ccccc2)c1[O-] ZINC000788470504 1276187708 /nfs/dbraw/zinc/18/77/08/1276187708.db2.gz SZIHHOSNVSNSHS-LJQANCHMSA-N -1 3 342.370 2.707 20 10 EFCDHM CCn1nc(C)c(CN[C@@H](C)c2cc(Br)ccc2[O-])n1 ZINC000818344851 1276511073 /nfs/dbraw/zinc/51/10/73/1276511073.db2.gz HJHXDIOVINDAMT-VIFPVBQESA-N -1 3 339.237 2.925 20 10 EFCDHM COc1ccc(N2CCC(NC(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000187065257 1276583275 /nfs/dbraw/zinc/58/32/75/1276583275.db2.gz NQVIRTMQSPOUQM-UHFFFAOYSA-N -1 3 342.395 2.505 20 10 EFCDHM COc1nc(Br)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000789878217 1277047477 /nfs/dbraw/zinc/04/74/77/1277047477.db2.gz NACKJGVITJKWMR-UHFFFAOYSA-N -1 3 339.145 2.516 20 10 EFCDHM CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790488086 1277596305 /nfs/dbraw/zinc/59/63/05/1277596305.db2.gz ZEHLQEHYTSDXPK-OAHLLOKOSA-N -1 3 343.379 2.911 20 10 EFCDHM O=C(Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)NC1CC1 ZINC000790511888 1277623177 /nfs/dbraw/zinc/62/31/77/1277623177.db2.gz NGMHUYQGDJHBEZ-UHFFFAOYSA-N -1 3 327.340 2.634 20 10 EFCDHM O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1cccc(O)c1[O-] ZINC000790560961 1277648581 /nfs/dbraw/zinc/64/85/81/1277648581.db2.gz MCFUIHXSMSRWNG-UHFFFAOYSA-N -1 3 349.390 2.702 20 10 EFCDHM CCOC(=O)N(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790574751 1277680362 /nfs/dbraw/zinc/68/03/62/1277680362.db2.gz RZALIIXQZNDXJR-UHFFFAOYSA-N -1 3 330.340 2.943 20 10 EFCDHM COC(=O)CSCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790643653 1277715066 /nfs/dbraw/zinc/71/50/66/1277715066.db2.gz NNMGJQOHTUMHQO-UHFFFAOYSA-N -1 3 347.392 2.756 20 10 EFCDHM O=C(NCc1ccc(Br)cc1F)c1cccc(O)c1[O-] ZINC000790692168 1277730859 /nfs/dbraw/zinc/73/08/59/1277730859.db2.gz XTVPONIYTLQPKA-UHFFFAOYSA-N -1 3 340.148 2.929 20 10 EFCDHM COC(=O)N(C)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790732764 1277752641 /nfs/dbraw/zinc/75/26/41/1277752641.db2.gz FIXOHEVLCHOZPP-UHFFFAOYSA-N -1 3 330.340 2.548 20 10 EFCDHM COCCc1nc2cc(NC(=O)c3cccc(O)c3[O-])ccc2o1 ZINC000790875783 1277819212 /nfs/dbraw/zinc/81/92/12/1277819212.db2.gz WATKVRUQXMHATM-UHFFFAOYSA-N -1 3 328.324 2.680 20 10 EFCDHM Cn1cc(CCNC(=O)c2cccc(O)c2[O-])c2ccc(F)cc21 ZINC000790936487 1277856419 /nfs/dbraw/zinc/85/64/19/1277856419.db2.gz FNYBYOYXPCPPMV-UHFFFAOYSA-N -1 3 328.343 2.701 20 10 EFCDHM CC1N=NC(=S)N1c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790911190 1277864503 /nfs/dbraw/zinc/86/45/03/1277864503.db2.gz OLYFVBMQQVWBQQ-UHFFFAOYSA-N -1 3 342.380 2.528 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)c(F)cc2[O-])CC[C@]1(C)O ZINC001144298403 1279384838 /nfs/dbraw/zinc/38/48/38/1279384838.db2.gz CYWITOSVNZZAST-XPTSAGLGSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)c(F)cc2[O-])CC[C@]1(C)O ZINC001144298401 1279384699 /nfs/dbraw/zinc/38/46/99/1279384699.db2.gz CYWITOSVNZZAST-OTYXRUKQSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])[C@@H]1CO ZINC001144298320 1279384896 /nfs/dbraw/zinc/38/48/96/1279384896.db2.gz BKDZWMAUOHULIF-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]2OCC[C@H]2C1 ZINC001144306581 1279404430 /nfs/dbraw/zinc/40/44/30/1279404430.db2.gz HTJDVYXZPUKUCJ-XPTSAGLGSA-N -1 3 330.197 2.905 20 10 EFCDHM C[C@@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)C1 ZINC000793585587 1279757432 /nfs/dbraw/zinc/75/74/32/1279757432.db2.gz BTIZOMGHYLXONE-GHMZBOCLSA-N -1 3 333.259 2.586 20 10 EFCDHM O=C(NC1CC1)[C@H]1Cc2ccccc2CN1Cc1cc(F)ccc1[O-] ZINC000845998519 1279967479 /nfs/dbraw/zinc/96/74/79/1279967479.db2.gz CAPJTTPFILJSOK-GOSISDBHSA-N -1 3 340.398 2.737 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2cncc3ccccc32)CC1 ZINC000793944488 1279974135 /nfs/dbraw/zinc/97/41/35/1279974135.db2.gz SAVUIWYTLPLYRL-UHFFFAOYSA-N -1 3 349.390 2.608 20 10 EFCDHM O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000807795897 1281433009 /nfs/dbraw/zinc/43/30/09/1281433009.db2.gz MHKQYHYSRZTEFQ-ZDUSSCGKSA-N -1 3 341.285 2.580 20 10 EFCDHM O=C(Nc1nccnc1OCc1ccccc1)c1cccc(O)c1[O-] ZINC001148212761 1281454203 /nfs/dbraw/zinc/45/42/03/1281454203.db2.gz KSVJCHBVBVKFIE-UHFFFAOYSA-N -1 3 337.335 2.719 20 10 EFCDHM CC1(C)Cc2c(NC(=O)c3cccc(O)c3[O-])cccc2NC1=O ZINC001148220152 1281456717 /nfs/dbraw/zinc/45/67/17/1281456717.db2.gz TXPBSVYQIBRUMO-UHFFFAOYSA-N -1 3 326.352 2.871 20 10 EFCDHM COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001148218811 1281457245 /nfs/dbraw/zinc/45/72/45/1281457245.db2.gz LYVKQJCJCRTIEK-ZDUSSCGKSA-N -1 3 343.379 2.692 20 10 EFCDHM CC(C)S(=O)(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001148218779 1281457698 /nfs/dbraw/zinc/45/76/98/1281457698.db2.gz KXLDPJSEQYWWQH-UHFFFAOYSA-N -1 3 335.381 2.532 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001148218797 1281457794 /nfs/dbraw/zinc/45/77/94/1281457794.db2.gz LLHCYLRIKPGPBJ-CQSZACIVSA-N -1 3 333.771 2.965 20 10 EFCDHM O=C(COC(=O)[C@H]1CCCCN1C1CCCC1)c1ccc([O-])c(O)c1 ZINC000815446417 1287508054 /nfs/dbraw/zinc/50/80/54/1287508054.db2.gz VTZLIYNLHQQINN-OAHLLOKOSA-N -1 3 347.411 2.621 20 10 EFCDHM O=C(Nc1ccncc1Oc1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148581742 1281658746 /nfs/dbraw/zinc/65/87/46/1281658746.db2.gz UKYAWFMCJFRHOB-UHFFFAOYSA-N -1 3 338.319 2.665 20 10 EFCDHM CC1(C)CC(=O)Nc2c(NC(=O)c3cc(O)c([O-])c(O)c3)cccc21 ZINC001148586045 1281662750 /nfs/dbraw/zinc/66/27/50/1281662750.db2.gz GDPLXVLOXUSCRH-UHFFFAOYSA-N -1 3 342.351 2.676 20 10 EFCDHM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1cc(O)c([O-])c(O)c1 ZINC001148586087 1281662893 /nfs/dbraw/zinc/66/28/93/1281662893.db2.gz IDMHCEYXIDWBRI-UHFFFAOYSA-N -1 3 345.229 2.660 20 10 EFCDHM CCc1ccc(NCc2c([O-])cccc2Cl)cc1S(N)(=O)=O ZINC000808443295 1281714484 /nfs/dbraw/zinc/71/44/84/1281714484.db2.gz WFKHCXXMZZTBHL-UHFFFAOYSA-N -1 3 340.832 2.868 20 10 EFCDHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000811696407 1284540517 /nfs/dbraw/zinc/54/05/17/1284540517.db2.gz LYLIRTQAVIMKMU-UHFFFAOYSA-N -1 3 325.411 2.641 20 10 EFCDHM COC(=O)C1(CS(=O)(=O)Nc2ccc([O-])c(Cl)c2)CCCC1 ZINC000811693120 1284541108 /nfs/dbraw/zinc/54/11/08/1284541108.db2.gz FOJFKJYAVLTPAB-UHFFFAOYSA-N -1 3 347.820 2.521 20 10 EFCDHM N[C@@]1(C(F)(F)F)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001206223117 1286960065 /nfs/dbraw/zinc/96/00/65/1286960065.db2.gz UAWOXDJKAWNMDV-NSHDSACASA-N -1 3 339.155 2.620 20 10 EFCDHM COc1cc(Cl)cc([C@H]2NC(=O)[C@@H]3Cc4ccccc4CN32)c1[O-] ZINC000871602425 1287168734 /nfs/dbraw/zinc/16/87/34/1287168734.db2.gz YXKVZMOMKJNOHF-YOEHRIQHSA-N -1 3 344.798 2.610 20 10 EFCDHM CN(CC(=O)NCc1ccco1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482760 1288153961 /nfs/dbraw/zinc/15/39/61/1288153961.db2.gz SBCBRYDPKICZIC-UHFFFAOYSA-N -1 3 326.755 2.526 20 10 EFCDHM O=C1CCCN1C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816503921 1288174516 /nfs/dbraw/zinc/17/45/16/1288174516.db2.gz RNSQZIRPBKMYKV-UHFFFAOYSA-N -1 3 326.799 2.772 20 10 EFCDHM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000817642885 1288696899 /nfs/dbraw/zinc/69/68/99/1288696899.db2.gz DVDVICLQPLCZEW-RYUDHWBXSA-N -1 3 335.400 2.538 20 10 EFCDHM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000817642883 1288697360 /nfs/dbraw/zinc/69/73/60/1288697360.db2.gz DVDVICLQPLCZEW-NWDGAFQWSA-N -1 3 335.400 2.538 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccco3)CC2)cc1Cl ZINC000824490667 1289668464 /nfs/dbraw/zinc/66/84/64/1289668464.db2.gz ICSJRSGFBMXWSG-UHFFFAOYSA-N -1 3 334.803 2.905 20 10 EFCDHM CCOC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCOC1 ZINC000825671785 1289701322 /nfs/dbraw/zinc/70/13/22/1289701322.db2.gz PJUATQRTGVUHBO-MLGOLLRUSA-N -1 3 341.835 2.802 20 10 EFCDHM CCOC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])[C@H]1CCCOC1 ZINC000825671784 1289701554 /nfs/dbraw/zinc/70/15/54/1289701554.db2.gz PJUATQRTGVUHBO-LRDDRELGSA-N -1 3 341.835 2.802 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCCC[C@@H]1O ZINC001181098753 1289706748 /nfs/dbraw/zinc/70/67/48/1289706748.db2.gz XQIVHPLPBFWRRE-JSGCOSHPSA-N -1 3 334.803 2.761 20 10 EFCDHM CC(C)c1nnc(CNCc2cccc(Br)c2[O-])[nH]1 ZINC000824603549 1289721416 /nfs/dbraw/zinc/72/14/16/1289721416.db2.gz TYPYXZABAPBFSO-UHFFFAOYSA-N -1 3 325.210 2.686 20 10 EFCDHM CN(C)C(=O)O[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000824616634 1289728267 /nfs/dbraw/zinc/72/82/67/1289728267.db2.gz XWNMHJCPCMDWKH-NSHDSACASA-N -1 3 330.787 2.847 20 10 EFCDHM Cc1cc([O-])c(CN2CCc3ccccc3[C@@H]2C(N)=O)cc1Cl ZINC000824639319 1289735968 /nfs/dbraw/zinc/73/59/68/1289735968.db2.gz JQAOZQKTZAPKSA-QGZVFWFLSA-N -1 3 330.815 2.939 20 10 EFCDHM CCN(C(=O)c1cccc(O)c1[O-])c1ccc(N2CCOCC2)cc1 ZINC000824642041 1289736719 /nfs/dbraw/zinc/73/67/19/1289736719.db2.gz DGXXFMSMCJFYQK-UHFFFAOYSA-N -1 3 342.395 2.601 20 10 EFCDHM Cc1cc([O-])c(CN2CCCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825716395 1290229393 /nfs/dbraw/zinc/22/93/93/1290229393.db2.gz SZJYVZVHSNSQNU-ZDUSSCGKSA-N -1 3 331.865 2.753 20 10 EFCDHM C[C@@H]1OCC[C@@]12CN(Cc1ccc(Br)cc1[O-])CCO2 ZINC000825738653 1290263334 /nfs/dbraw/zinc/26/33/34/1290263334.db2.gz RDEFZAXHVNPFPN-XHDPSFHLSA-N -1 3 342.233 2.535 20 10 EFCDHM COc1ccc2[nH]cc(CCNC(=O)c3cccc(O)c3[O-])c2c1 ZINC000247947525 1290724330 /nfs/dbraw/zinc/72/43/30/1290724330.db2.gz KKILIXZBCPFDDK-UHFFFAOYSA-N -1 3 326.352 2.560 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@H](C)S1(=O)=O ZINC000825900312 1291008999 /nfs/dbraw/zinc/00/89/99/1291008999.db2.gz KWKMUAZPJGRVQM-WCQYABFASA-N -1 3 331.865 2.752 20 10 EFCDHM CN(Cc1ccc(I)cc1[O-])CC(F)F ZINC001232981046 1312825350 /nfs/dbraw/zinc/82/53/50/1312825350.db2.gz WHXNWFSHGWXNQL-UHFFFAOYSA-N -1 3 327.112 2.694 20 10 EFCDHM CC(=O)OC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093453986 1291144978 /nfs/dbraw/zinc/14/49/78/1291144978.db2.gz DAWVOFFFPGGURZ-UHFFFAOYSA-N -1 3 328.206 2.682 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CCN(C2CCC2)CC1 ZINC001233027189 1312835430 /nfs/dbraw/zinc/83/54/30/1312835430.db2.gz MHMHVJPEQVZLDU-UHFFFAOYSA-N -1 3 343.240 2.964 20 10 EFCDHM CCN1C[C@@H]2C[C@H]1CN2Cc1c([O-])cc(Br)cc1F ZINC001233033345 1312837749 /nfs/dbraw/zinc/83/77/49/1312837749.db2.gz LQQKABMEZFFLIV-QWRGUYRKSA-N -1 3 329.213 2.572 20 10 EFCDHM CCCN1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233032025 1312837763 /nfs/dbraw/zinc/83/77/63/1312837763.db2.gz SKJGZOPMYWLLSC-UHFFFAOYSA-N -1 3 331.229 2.821 20 10 EFCDHM CC(=O)NC[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000877674234 1291324489 /nfs/dbraw/zinc/32/44/89/1291324489.db2.gz LDSURGJBXRRLFF-CYBMUJFWSA-N -1 3 341.249 2.645 20 10 EFCDHM Cc1ccnc(O[C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079471 1312850529 /nfs/dbraw/zinc/85/05/29/1312850529.db2.gz DSSRVFHPFCVJOC-ZDUSSCGKSA-N -1 3 335.354 2.812 20 10 EFCDHM CC(C)C(=O)N(C)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233080638 1312851408 /nfs/dbraw/zinc/85/14/08/1312851408.db2.gz YVFHDJKCZSAGNW-UHFFFAOYSA-N -1 3 326.387 2.749 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](C)CC2)cc1Br ZINC001233135188 1312863280 /nfs/dbraw/zinc/86/32/80/1312863280.db2.gz OBXOGBJYJNXQIG-JTQLQIEISA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(CN2CC3(C2)CCCOC3)cc1Br ZINC001233136786 1312863990 /nfs/dbraw/zinc/86/39/90/1312863990.db2.gz CFYPYPSIXAFNRI-UHFFFAOYSA-N -1 3 342.233 2.776 20 10 EFCDHM COc1cc([O-])c(CN2CCCCC23COC3)cc1Br ZINC001233140330 1312864773 /nfs/dbraw/zinc/86/47/73/1312864773.db2.gz DYTJPWXRVCQKQS-UHFFFAOYSA-N -1 3 342.233 2.918 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@@H](C(C)=O)C2)cc1Br ZINC001233140583 1312865426 /nfs/dbraw/zinc/86/54/26/1312865426.db2.gz NMXLVKSYWPNFRX-LLVKDONJSA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@H]2C(C)=O)cc1Br ZINC001233143130 1312866372 /nfs/dbraw/zinc/86/63/72/1312866372.db2.gz XVOGTXKEFSPMEH-LBPRGKRZSA-N -1 3 328.206 2.717 20 10 EFCDHM CC1(C)CCN(Cc2ccc(Br)cc2[O-])CC[S@@]1=O ZINC000691680323 1291677312 /nfs/dbraw/zinc/67/73/12/1291677312.db2.gz UZMFFAGPJNKYIW-IBGZPJMESA-N -1 3 346.290 2.888 20 10 EFCDHM O=C1c2ccccc2C(=O)c2cc([N-]S(=O)(=O)CCCF)ccc21 ZINC001189863612 1291896566 /nfs/dbraw/zinc/89/65/66/1291896566.db2.gz ONNUJAOTPGYNDO-UHFFFAOYSA-N -1 3 347.367 2.563 20 10 EFCDHM O=C(C1CCN(Cc2c([O-])ccc(F)c2F)CC1)N1CCCCC1 ZINC001233334658 1312905709 /nfs/dbraw/zinc/90/57/09/1312905709.db2.gz PAMVXVPZDJXETH-UHFFFAOYSA-N -1 3 338.398 2.895 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CCc2ncnc(C3CC3)c2CC1 ZINC001233333925 1312906145 /nfs/dbraw/zinc/90/61/45/1312906145.db2.gz MTWLLACWLQMSRG-UHFFFAOYSA-N -1 3 331.366 2.939 20 10 EFCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)C[C@H]2C2CCC2)cc1Cl ZINC000826121410 1292247118 /nfs/dbraw/zinc/24/71/18/1292247118.db2.gz PUUQNPHSAJFTRG-HNNXBMFYSA-N -1 3 343.876 2.753 20 10 EFCDHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(N(C)C)cc1 ZINC000775404231 1292284037 /nfs/dbraw/zinc/28/40/37/1292284037.db2.gz MCFBQCCFFMJTSP-NSHDSACASA-N -1 3 328.368 2.678 20 10 EFCDHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(N(C)C)cc1 ZINC000775404228 1292284303 /nfs/dbraw/zinc/28/43/03/1292284303.db2.gz MCFBQCCFFMJTSP-LLVKDONJSA-N -1 3 328.368 2.678 20 10 EFCDHM [O-]c1c(CN2CCN(c3ccncn3)CC2)cccc1C(F)(F)F ZINC001233419272 1312928943 /nfs/dbraw/zinc/92/89/43/1312928943.db2.gz QTTMSFPBZOTXEZ-UHFFFAOYSA-N -1 3 338.333 2.523 20 10 EFCDHM CCOC(=O)c1ncn2c1CN(Cc1cc(Cl)ccc1[O-])CCC2 ZINC001203648272 1312979824 /nfs/dbraw/zinc/97/98/24/1312979824.db2.gz HTUAOFFHQQKHGK-UHFFFAOYSA-N -1 3 349.818 2.825 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCn2cc(Cn3cccn3)nc2C1 ZINC001203656136 1312982376 /nfs/dbraw/zinc/98/23/76/1312982376.db2.gz JDDYKBCSIADEGQ-UHFFFAOYSA-N -1 3 343.818 2.503 20 10 EFCDHM O=C(NCc1ccco1)C12CC(C1)CN2Cc1cc(Cl)ccc1[O-] ZINC001203657705 1312982815 /nfs/dbraw/zinc/98/28/15/1312982815.db2.gz FAZLPYQIEHXXJT-UHFFFAOYSA-N -1 3 346.814 2.919 20 10 EFCDHM CC(=O)c1cc2c(cc1NC(=O)c1ccc([O-])c(O)c1Cl)OCO2 ZINC001193228873 1293225681 /nfs/dbraw/zinc/22/56/81/1293225681.db2.gz AESITAMDRYRWDA-UHFFFAOYSA-N -1 3 349.726 2.935 20 10 EFCDHM O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc([O-])c(O)c(Cl)c1 ZINC001193589602 1293354313 /nfs/dbraw/zinc/35/43/13/1293354313.db2.gz MYTJPIIRZODCNB-UHFFFAOYSA-N -1 3 338.772 2.979 20 10 EFCDHM O=C(NCCc1c[nH]c2ccncc12)c1cc(O)c([O-])c(Cl)c1 ZINC001193633890 1293377692 /nfs/dbraw/zinc/37/76/92/1293377692.db2.gz KBFOESXLJPKPHX-UHFFFAOYSA-N -1 3 331.759 2.600 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CNCc1nnc(C2CC2)[nH]1 ZINC000883132912 1293475152 /nfs/dbraw/zinc/47/51/52/1293475152.db2.gz JCIAFYRHAASMTR-UHFFFAOYSA-N -1 3 341.184 2.579 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCC(C)(C)O1 ZINC000775633634 1293793758 /nfs/dbraw/zinc/79/37/58/1293793758.db2.gz XFDLPULVQRPISW-CQSZACIVSA-N -1 3 341.835 2.978 20 10 EFCDHM CC(C)C(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775652944 1293918635 /nfs/dbraw/zinc/91/86/35/1293918635.db2.gz WOGVNHLTCFKMSV-UHFFFAOYSA-N -1 3 328.815 2.921 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC001195791300 1294037598 /nfs/dbraw/zinc/03/75/98/1294037598.db2.gz HPKNKDKGQYRSRK-UHFFFAOYSA-N -1 3 334.441 2.669 20 10 EFCDHM CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276353960 1294568952 /nfs/dbraw/zinc/56/89/52/1294568952.db2.gz AOTSHIBABRVMAS-GASCZTMLSA-N -1 3 344.434 2.597 20 10 EFCDHM Cc1c(C)c([N-]S(=O)(=O)c2ccc3nccnc3c2)ccc1O ZINC001198147906 1294910500 /nfs/dbraw/zinc/91/05/00/1294910500.db2.gz GDUWVZCYNADJGD-UHFFFAOYSA-N -1 3 329.381 2.753 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001276470326 1313155708 /nfs/dbraw/zinc/15/57/08/1313155708.db2.gz MAFNORQDCGDLIO-OKILXGFUSA-N -1 3 333.382 2.847 20 10 EFCDHM C[C@@H]1CC[C@H](CO)CN1Cc1cc(Br)cc(F)c1[O-] ZINC001235057495 1313233071 /nfs/dbraw/zinc/23/30/71/1313233071.db2.gz PICXYYCFUCLDCH-ZJUUUORDSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])CCC[C@@H]1O ZINC001235296077 1313284366 /nfs/dbraw/zinc/28/43/66/1313284366.db2.gz HEYZQYJUQHPZAE-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCN2CCCC[C@H]2C1 ZINC001235301834 1313285798 /nfs/dbraw/zinc/28/57/98/1313285798.db2.gz JJFKSHHYEYDXPR-ZDUSSCGKSA-N -1 3 343.240 2.964 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC001235305548 1313287143 /nfs/dbraw/zinc/28/71/43/1313287143.db2.gz NJWRDLDJSDNTSE-RNCFNFMXSA-N -1 3 330.197 2.905 20 10 EFCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)OCCO2 ZINC000776337777 1297773659 /nfs/dbraw/zinc/77/36/59/1297773659.db2.gz ATNLKXZHIOQJFN-CYBMUJFWSA-N -1 3 329.352 2.750 20 10 EFCDHM O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(O)c1[O-] ZINC000776339601 1297796223 /nfs/dbraw/zinc/79/62/23/1297796223.db2.gz UBEYSURLKUSJHL-QGZVFWFLSA-N -1 3 341.363 2.750 20 10 EFCDHM COCc1noc2c1CN(Cc1c([O-])cc(OC)cc1Cl)CC2 ZINC001236796527 1313530834 /nfs/dbraw/zinc/53/08/34/1313530834.db2.gz GCDBZMCVBMRXOG-UHFFFAOYSA-N -1 3 338.791 2.747 20 10 EFCDHM O=C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]2CCCN12 ZINC001236802211 1313532069 /nfs/dbraw/zinc/53/20/69/1313532069.db2.gz HWKRVAYOICWQRY-NSHDSACASA-N -1 3 329.227 2.896 20 10 EFCDHM CCNC(=O)OC1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236807802 1313532982 /nfs/dbraw/zinc/53/29/82/1313532982.db2.gz RQHDHYWACRVYLF-UHFFFAOYSA-N -1 3 342.823 2.765 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)CC2)c(Br)c1 ZINC001237065317 1313580103 /nfs/dbraw/zinc/58/01/03/1313580103.db2.gz MYANMQXPAUNAPT-UHFFFAOYSA-N -1 3 328.206 2.718 20 10 EFCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H]2CO3)c(Br)c1 ZINC001237068449 1313581429 /nfs/dbraw/zinc/58/14/29/1313581429.db2.gz PNPLRDFMIOTXTP-NXEZZACHSA-N -1 3 328.206 2.527 20 10 EFCDHM O=C1CC2(CN1)CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237078184 1313582480 /nfs/dbraw/zinc/58/24/80/1313582480.db2.gz PAGAGJPOZHRZTQ-UHFFFAOYSA-N -1 3 329.227 2.801 20 10 EFCDHM COc1cc([O-])c(CN2[C@@H]3CC[C@H]2CC(=O)C3)c(Br)c1 ZINC001237061406 1313579086 /nfs/dbraw/zinc/57/90/86/1313579086.db2.gz GDOOZXRWKGWSDM-AOOOYVTPSA-N -1 3 340.217 2.859 20 10 EFCDHM O=C1CCCC2(CCN(Cc3c([O-])ccc(F)c3Cl)CC2)N1 ZINC001237121764 1313590931 /nfs/dbraw/zinc/59/09/31/1313590931.db2.gz PEBBBHQJQRAGMA-UHFFFAOYSA-N -1 3 326.799 2.819 20 10 EFCDHM Cc1ccnc(O[C@@H]2CCN(Cc3c([O-])ccc(F)c3Cl)C2)n1 ZINC001237129395 1313591730 /nfs/dbraw/zinc/59/17/30/1313591730.db2.gz YDNMEGRAYLNCFQ-LLVKDONJSA-N -1 3 337.782 2.936 20 10 EFCDHM COc1ccc(N2CCN(Cc3occc3[S-])CC2)c(OC)c1 ZINC001237187237 1313601639 /nfs/dbraw/zinc/60/16/39/1313601639.db2.gz ZESAUDBNBJUZEN-UHFFFAOYSA-N -1 3 334.441 2.908 20 10 EFCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)OCCO2 ZINC000776605026 1299771593 /nfs/dbraw/zinc/77/15/93/1299771593.db2.gz XEEZUYNCFAYICC-QGZVFWFLSA-N -1 3 343.379 2.996 20 10 EFCDHM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000776636881 1299977792 /nfs/dbraw/zinc/97/77/92/1299977792.db2.gz LIDHGSWJPOPPJL-CVEARBPZSA-N -1 3 331.343 2.887 20 10 EFCDHM COC(=O)[C@@]1(C)CCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237678593 1313690134 /nfs/dbraw/zinc/69/01/34/1313690134.db2.gz AGTJOSAQWMGRQZ-OAHLLOKOSA-N -1 3 342.233 2.991 20 10 EFCDHM Cc1ncc2n1CCN(Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237680993 1313690989 /nfs/dbraw/zinc/69/09/89/1313690989.db2.gz ONZCKVUHDCKVRQ-UHFFFAOYSA-N -1 3 336.233 2.984 20 10 EFCDHM CCOC(=O)CN(Cc1cc(Br)c(C)cc1[O-])C1CC1 ZINC001237685618 1313691775 /nfs/dbraw/zinc/69/17/75/1313691775.db2.gz QTBIMFVSSGBQQE-UHFFFAOYSA-N -1 3 342.233 2.991 20 10 EFCDHM Cc1cc([O-])c(CN2C[C@H](F)C[C@@H](CO)C2)cc1Br ZINC001237675752 1313688774 /nfs/dbraw/zinc/68/87/74/1313688774.db2.gz AJGDQCHFXHMHCW-ZYHUDNBSSA-N -1 3 332.213 2.615 20 10 EFCDHM Cc1cc([O-])c(CN2CC(F)(F)C[C@H]2CO)cc1Br ZINC001237676495 1313689296 /nfs/dbraw/zinc/68/92/96/1313689296.db2.gz JLEFTHGWOYUVHW-JTQLQIEISA-N -1 3 336.176 2.665 20 10 EFCDHM [O-]c1c(Cl)cc(F)cc1CN1CCCN(c2ncccn2)CC1 ZINC001237800064 1313708498 /nfs/dbraw/zinc/70/84/98/1313708498.db2.gz WEZYHMQBCFNVAI-UHFFFAOYSA-N -1 3 336.798 2.687 20 10 EFCDHM [O-]c1c(Cl)cc(F)cc1CN1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237801484 1313708912 /nfs/dbraw/zinc/70/89/12/1313708912.db2.gz UNKOLKFGTOGPGE-CHWSQXEVSA-N -1 3 348.809 2.543 20 10 EFCDHM Cc1ccnc(O[C@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237941620 1313734611 /nfs/dbraw/zinc/73/46/11/1313734611.db2.gz ZIHQKZIHBHTUGX-LBPRGKRZSA-N -1 3 337.782 2.936 20 10 EFCDHM O=C1CCCN1C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237948738 1313735653 /nfs/dbraw/zinc/73/56/53/1313735653.db2.gz HTFJHJJWWFZKTP-UHFFFAOYSA-N -1 3 326.799 2.772 20 10 EFCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@]2(CCOC2)O1 ZINC000862351790 1302342728 /nfs/dbraw/zinc/34/27/28/1302342728.db2.gz UXLKLSLTZORHTQ-XHDPSFHLSA-N -1 3 342.233 2.535 20 10 EFCDHM CN(Cc1c([O-])cccc1Br)C[C@@H](O)C(F)(F)F ZINC000862367808 1302349392 /nfs/dbraw/zinc/34/93/92/1302349392.db2.gz VQOPYQOUOTYWTO-SNVBAGLBSA-N -1 3 328.128 2.510 20 10 EFCDHM COC(=O)CN(CCCOC(C)C)Cc1cc(Cl)ccc1[O-] ZINC000119567046 1302677493 /nfs/dbraw/zinc/67/74/93/1302677493.db2.gz FUZKSPQORNLKCQ-UHFFFAOYSA-N -1 3 329.824 2.836 20 10 EFCDHM CCn1ncnc1CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000794840322 1303278719 /nfs/dbraw/zinc/27/87/19/1303278719.db2.gz INJRSTAYLMSFDI-VIFPVBQESA-N -1 3 325.210 2.617 20 10 EFCDHM Cc1nocc1S(=O)(=O)[N-]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000866753466 1303779184 /nfs/dbraw/zinc/77/91/84/1303779184.db2.gz TWCRPUYFZLYSNM-UHFFFAOYSA-N -1 3 349.456 2.698 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)[C@H](C)[C@@H]3C)c2c1 ZINC000122500011 1304689066 /nfs/dbraw/zinc/68/90/66/1304689066.db2.gz VHQGWIAVEMFSDJ-QWHCGFSZSA-N -1 3 349.452 2.561 20 10 EFCDHM CCc1ccc([O-])c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000748831181 1314159302 /nfs/dbraw/zinc/15/93/02/1314159302.db2.gz RPJFPLZOAAZKIB-UHFFFAOYSA-N -1 3 340.423 2.926 20 10 EFCDHM COc1cc(O)ccc1[N-]S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000901702648 1310907129 /nfs/dbraw/zinc/90/71/29/1310907129.db2.gz GRXVPFKOQCOGRY-BBRMVZONSA-N -1 3 337.372 2.838 20 10 EFCDHM CC[C@H](COc1cccc2c1C(=O)c1c([O-])cccc1C2=O)OC ZINC001226383725 1311659289 /nfs/dbraw/zinc/65/92/89/1311659289.db2.gz KKQHBNFIHGNZGP-LLVKDONJSA-N -1 3 326.348 2.971 20 10 EFCDHM CC[C@@H](COc1cccc2c1C(=O)c1c([O-])cccc1C2=O)OC ZINC001226383728 1311659366 /nfs/dbraw/zinc/65/93/66/1311659366.db2.gz KKQHBNFIHGNZGP-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCOC[C@H]3F)cccc21 ZINC001226382841 1311659528 /nfs/dbraw/zinc/65/95/28/1311659528.db2.gz CWBKWKUWFLNWQM-TZMCWYRMSA-N -1 3 342.322 2.673 20 10 EFCDHM COc1ccc(NCc2cc(F)ccc2O)cc1[N-]S(C)(=O)=O ZINC000802642847 1311875150 /nfs/dbraw/zinc/87/51/50/1311875150.db2.gz GTEJOOGCIPETPX-UHFFFAOYSA-N -1 3 340.376 2.524 20 10 EFCDHM CC1=C[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CC(=O)O1 ZINC001227938752 1311876534 /nfs/dbraw/zinc/87/65/34/1311876534.db2.gz XRTQCZBXIXPCLS-CYBMUJFWSA-N -1 3 340.331 2.927 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CCOC[C@@H]1F ZINC001227941784 1311877091 /nfs/dbraw/zinc/87/70/91/1311877091.db2.gz WSHGRQFEWBQTLM-ZFWWWQNUSA-N -1 3 332.327 2.835 20 10 EFCDHM CCN1CC[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229185971 1312058811 /nfs/dbraw/zinc/05/88/11/1312058811.db2.gz DVZXDSLAFDICBU-LBPRGKRZSA-N -1 3 337.375 2.641 20 10 EFCDHM C[C@H]1COCC[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191580 1312059623 /nfs/dbraw/zinc/05/96/23/1312059623.db2.gz CSTSBWBAVDWMOG-NHYWBVRUSA-N -1 3 338.359 2.971 20 10 EFCDHM O=C1c2cccc(O[C@@H]3CCOC[C@@H]3F)c2C(=O)c2cccc([O-])c21 ZINC001229192705 1312059913 /nfs/dbraw/zinc/05/99/13/1312059913.db2.gz SILAWLQETHJGPN-GXTWGEPZSA-N -1 3 342.322 2.673 20 10 EFCDHM Cc1c([O-])cc2c(c1O[C@H](C)CN(C)C)C(=O)c1ccccc1C2=O ZINC001229828775 1312146201 /nfs/dbraw/zinc/14/62/01/1312146201.db2.gz GNOKFKGJTBEKDI-LLVKDONJSA-N -1 3 339.391 2.805 20 10 EFCDHM C[C@@H]1c2nc(C(=O)N(C)C)cn2CCN1Cc1cc(Cl)ccc1[O-] ZINC001277457933 1312251110 /nfs/dbraw/zinc/25/11/10/1312251110.db2.gz MSBGSABPJXZXPT-LLVKDONJSA-N -1 3 348.834 2.521 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nc3c(s2)CCC3)c1 ZINC000903190813 1312445912 /nfs/dbraw/zinc/44/59/12/1312445912.db2.gz DQPVFSOIDHGATN-JTQLQIEISA-N -1 3 332.425 2.975 20 10 EFCDHM Cc1cccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)c1 ZINC001231446973 1312499419 /nfs/dbraw/zinc/49/94/19/1312499419.db2.gz NCASYOTYLYBFHH-UHFFFAOYSA-N -1 3 326.396 2.721 20 10 EFCDHM CN1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1c1ccccc1 ZINC001231451746 1312500279 /nfs/dbraw/zinc/50/02/79/1312500279.db2.gz SVTJHXQXWZPIIG-QGZVFWFLSA-N -1 3 326.396 2.579 20 10 EFCDHM CN1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1c1ccccc1 ZINC001231451746 1312500282 /nfs/dbraw/zinc/50/02/82/1312500282.db2.gz SVTJHXQXWZPIIG-QGZVFWFLSA-N -1 3 326.396 2.579 20 10 EFCDHM CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231453808 1312501299 /nfs/dbraw/zinc/50/12/99/1312501299.db2.gz PVOHALYRKVLRTR-UHFFFAOYSA-N -1 3 348.443 2.607 20 10 EFCDHM COC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2ncn(C)c21 ZINC001231866683 1312577347 /nfs/dbraw/zinc/57/73/47/1312577347.db2.gz HMXZBENFDATBNB-ZDUSSCGKSA-N -1 3 335.835 2.833 20 10 EFCDHM COC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2ncn(C)c21 ZINC001231866680 1312577693 /nfs/dbraw/zinc/57/76/93/1312577693.db2.gz HMXZBENFDATBNB-CYBMUJFWSA-N -1 3 335.835 2.833 20 10 EFCDHM O=C(N1CCN(Cc2ccc3ccccc3c2[O-])CC1)C(F)(F)F ZINC001231879690 1312579795 /nfs/dbraw/zinc/57/97/95/1312579795.db2.gz NWJNCBSJJANHOA-UHFFFAOYSA-N -1 3 338.329 2.752 20 10 EFCDHM O=S1(=O)CC[C@H](CF)C12CN(Cc1ccc3ccccc3c1[O-])C2 ZINC001231880249 1312579974 /nfs/dbraw/zinc/57/99/74/1312579974.db2.gz AJWDDHRGZNWWAU-OAHLLOKOSA-N -1 3 349.427 2.504 20 10 EFCDHM COc1ccnc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231913223 1312587066 /nfs/dbraw/zinc/58/70/66/1312587066.db2.gz IPSPDGAIDIFGPC-UHFFFAOYSA-N -1 3 349.818 2.888 20 10 EFCDHM COc1ccnc(O[C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231912977 1312587576 /nfs/dbraw/zinc/58/75/76/1312587576.db2.gz BOUMXXGDBZROLC-CYBMUJFWSA-N -1 3 349.818 2.888 20 10 EFCDHM C[C@@H](NCc1cn(C)cn1)c1cc(Br)cc(F)c1[O-] ZINC000903351765 1312590455 /nfs/dbraw/zinc/59/04/55/1312590455.db2.gz OHRUJYYGSDVOLF-MRVPVSSYSA-N -1 3 328.185 2.878 20 10 EFCDHM O=C1c2ccccc2[C@H]2CN(Cc3cc(Cl)c([O-])cc3O)CCN12 ZINC001232258422 1312659869 /nfs/dbraw/zinc/65/98/69/1312659869.db2.gz XVTFVGQCGJZHHC-OAHLLOKOSA-N -1 3 344.798 2.764 20 10 EFCDHM CCOCc1noc2c1CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232261607 1312661349 /nfs/dbraw/zinc/66/13/49/1312661349.db2.gz KGKQRMUEHDASBD-UHFFFAOYSA-N -1 3 338.791 2.834 20 10 EFCDHM COc1cc([O-])c(CN2CCN(Cc3ccco3)CC2)cc1Cl ZINC001232265217 1312662246 /nfs/dbraw/zinc/66/22/46/1312662246.db2.gz RHCRBMSMVNIWPV-UHFFFAOYSA-N -1 3 336.819 2.965 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001215327592 1314816082 /nfs/dbraw/zinc/81/60/82/1314816082.db2.gz JYKXNWVRAOHXLQ-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM Cc1noc2ccc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)cc12 ZINC001215327421 1314816171 /nfs/dbraw/zinc/81/61/71/1314816171.db2.gz AGLMEUOGUJPJIA-UHFFFAOYSA-N -1 3 325.280 2.970 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccnc2OC(F)F)no1 ZINC001215327549 1314816191 /nfs/dbraw/zinc/81/61/91/1314816191.db2.gz HTMPFLPEGKXUKW-UHFFFAOYSA-N -1 3 337.238 2.517 20 10 EFCDHM CC(C)Oc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cn1 ZINC001215327526 1314816205 /nfs/dbraw/zinc/81/62/05/1314816205.db2.gz GCVGRCSJGZYEJB-UHFFFAOYSA-N -1 3 329.312 2.703 20 10 EFCDHM COc1cc(F)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1F ZINC001215327774 1314816307 /nfs/dbraw/zinc/81/63/07/1314816307.db2.gz SFXCZTWGWTYTEB-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3cncc(C(F)(F)F)c3)no2)cc1O ZINC001215328894 1314816910 /nfs/dbraw/zinc/81/69/10/1314816910.db2.gz VBGKBFJYXNOOLJ-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM Cc1cc(CN2CCOCC(F)(F)C2)c([O-])cc1Br ZINC001250120615 1315174480 /nfs/dbraw/zinc/17/44/80/1315174480.db2.gz KRBVGEWCCYLYOZ-UHFFFAOYSA-N -1 3 336.176 2.931 20 10 EFCDHM Cc1cc(CN2CC(O)(C(F)(F)F)C2)c([O-])cc1Br ZINC001250120838 1315174262 /nfs/dbraw/zinc/17/42/62/1315174262.db2.gz RNOCULBRMUCKSS-UHFFFAOYSA-N -1 3 340.139 2.572 20 10 EFCDHM Cc1cc(CN2CCC(=O)C(F)(F)C2)c([O-])cc1Br ZINC001250128698 1315176438 /nfs/dbraw/zinc/17/64/38/1315176438.db2.gz JGMZZXIZCSVXMS-UHFFFAOYSA-N -1 3 334.160 2.873 20 10 EFCDHM Cc1cc(CN2CCN(C(C)C)C(=O)C2)c([O-])cc1Br ZINC001250134128 1315177419 /nfs/dbraw/zinc/17/74/19/1315177419.db2.gz WIZDKYGIENGGTG-UHFFFAOYSA-N -1 3 341.249 2.516 20 10 EFCDHM O=S(=O)([N-]Cc1cccc(O)c1O)c1cc(Cl)ccc1Cl ZINC001251374675 1315343854 /nfs/dbraw/zinc/34/38/54/1315343854.db2.gz CGDQQXYXZRTJFF-UHFFFAOYSA-N -1 3 348.207 2.883 20 10 EFCDHM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1cc(Cl)ccc1Cl ZINC001251374819 1315344124 /nfs/dbraw/zinc/34/41/24/1315344124.db2.gz LODQSJMDJVPSBH-UHFFFAOYSA-N -1 3 348.207 2.883 20 10 EFCDHM N[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1ccccc1 ZINC001220212662 1315385442 /nfs/dbraw/zinc/38/54/42/1315385442.db2.gz RLDORSBYXAMJGF-HNNXBMFYSA-N -1 3 341.798 2.910 20 10 EFCDHM Nc1cc(N)cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001220212345 1315385963 /nfs/dbraw/zinc/38/59/63/1315385963.db2.gz GEALIQYWPOBSJT-UHFFFAOYSA-N -1 3 342.786 2.688 20 10 EFCDHM [O-]c1ccc(-c2nnc(-c3ccccc3)o2)cc1CN1CCOCC1 ZINC001253144817 1315573976 /nfs/dbraw/zinc/57/39/76/1315573976.db2.gz BMLIKXGIXZIRSP-UHFFFAOYSA-N -1 3 337.379 2.941 20 10 EFCDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(O)c1 ZINC001259082664 1316206384 /nfs/dbraw/zinc/20/63/84/1316206384.db2.gz LFCJPFKIIMAQEB-UHFFFAOYSA-N -1 3 345.342 2.905 20 10 EFCDHM CN(C)Cc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC001260387856 1316336628 /nfs/dbraw/zinc/33/66/28/1316336628.db2.gz XVAPCGKRKSFTES-UHFFFAOYSA-N -1 3 348.453 2.554 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c(C)cc1O ZINC001260451764 1316339794 /nfs/dbraw/zinc/33/97/94/1316339794.db2.gz XXCXRDFTBRJUSI-UHFFFAOYSA-N -1 3 345.376 2.916 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)c2ccc(F)cc2)c1[O-] ZINC000734851277 1321900236 /nfs/dbraw/zinc/90/02/36/1321900236.db2.gz XQRPIKUVYIQELB-ZDUSSCGKSA-N -1 3 340.738 2.916 20 10 EFCDHM CN(C)c1ccc(CN2CCOc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000903925515 1324857457 /nfs/dbraw/zinc/85/74/57/1324857457.db2.gz AQKNVPIKHKAQKX-GOSISDBHSA-N -1 3 326.396 2.773 20 10 EFCDHM Cc1c([C@H](NCc2ccc(N3CCCCC3)cc2)C(=O)[O-])cnn1C ZINC000904047056 1324862373 /nfs/dbraw/zinc/86/23/73/1324862373.db2.gz AIMWZXYWVQLIFO-SFHVURJKSA-N -1 3 342.443 2.634 20 10 EFCDHM C[C@H]1CCc2ccccc2N1CCNC(=O)c1cccc(O)c1[O-] ZINC001344108055 1332403586 /nfs/dbraw/zinc/40/35/86/1332403586.db2.gz ADJSWYRKNCGJDK-ZDUSSCGKSA-N -1 3 326.396 2.669 20 10 EFCDHM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1[n-]cnc1C(F)(F)F ZINC000935945185 1335464146 /nfs/dbraw/zinc/46/41/46/1335464146.db2.gz NUWVMUICCPMEMO-UHFFFAOYSA-N -1 3 334.294 2.550 20 10 EFCDHM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc[n-]c1C(F)(F)F ZINC000935945185 1335464148 /nfs/dbraw/zinc/46/41/48/1335464148.db2.gz NUWVMUICCPMEMO-UHFFFAOYSA-N -1 3 334.294 2.550 20 10 EFCDHM CCOC(=O)[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000896961849 723915800 /nfs/dbraw/zinc/91/58/00/723915800.db2.gz FRMCKLMZUZQETF-NSHDSACASA-N -1 3 328.206 2.540 20 10 EFCDHM CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000179432757 717460767 /nfs/dbraw/zinc/46/07/67/717460767.db2.gz NWMVFJQVRNLUMU-UHFFFAOYSA-N -1 3 328.368 2.717 20 10 EFCDHM CNS(=O)(=O)c1cc(NCc2c([O-])cccc2Cl)ccc1C ZINC000317095229 717718581 /nfs/dbraw/zinc/71/85/81/717718581.db2.gz BITLFGZJAXGWOT-UHFFFAOYSA-N -1 3 340.832 2.874 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCC=CO1 ZINC000193921313 720961565 /nfs/dbraw/zinc/96/15/65/720961565.db2.gz WNHROVYLNXDHQY-CQSZACIVSA-N -1 3 325.792 2.713 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@H]1C ZINC000894539126 722775960 /nfs/dbraw/zinc/77/59/60/722775960.db2.gz YCBLYCBKMLGDOV-KWQFWETISA-N -1 3 346.196 2.677 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@@H]1C ZINC000894539124 722775972 /nfs/dbraw/zinc/77/59/72/722775972.db2.gz YCBLYCBKMLGDOV-KCJUWKMLSA-N -1 3 346.196 2.677 20 10 EFCDHM CCN(Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCNC1=O ZINC000894663110 722810487 /nfs/dbraw/zinc/81/04/87/722810487.db2.gz OYIMXFSEBURBDY-NSHDSACASA-N -1 3 347.640 2.519 20 10 EFCDHM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894745930 722833008 /nfs/dbraw/zinc/83/30/08/722833008.db2.gz NAJYERYRWGAEQT-CYBMUJFWSA-N -1 3 339.260 2.598 20 10 EFCDHM C[C@H]1C[C@H](CO)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895033209 723055745 /nfs/dbraw/zinc/05/57/45/723055745.db2.gz HDRFZBGTQHEGQC-UWVGGRQHSA-N -1 3 332.213 2.744 20 10 EFCDHM CSc1nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n[n-]1 ZINC000727486826 724073779 /nfs/dbraw/zinc/07/37/79/724073779.db2.gz RFTZHVNQSXFFIV-UHFFFAOYSA-N -1 3 328.401 2.581 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000897259649 724140171 /nfs/dbraw/zinc/14/01/71/724140171.db2.gz TZMMESVICLKQSY-GFCCVEGCSA-N -1 3 329.799 2.691 20 10 EFCDHM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895861827 724345238 /nfs/dbraw/zinc/34/52/38/724345238.db2.gz CYSZOYMDADDHOB-DZGCQCFKSA-N -1 3 341.835 2.944 20 10 EFCDHM CO[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000733329388 727544377 /nfs/dbraw/zinc/54/43/77/727544377.db2.gz SCIWIGABKQOJRK-VIFPVBQESA-N -1 3 328.674 2.621 20 10 EFCDHM Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000055217142 727915184 /nfs/dbraw/zinc/91/51/84/727915184.db2.gz MTZSLEBSRXQVMZ-GFCCVEGCSA-N -1 3 348.424 2.563 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)c([O-])c1O ZINC000182138791 727972447 /nfs/dbraw/zinc/97/24/47/727972447.db2.gz SGXOCBAPYGPAEF-UHFFFAOYSA-N -1 3 327.315 2.983 20 10 EFCDHM Cc1ccc(O)c(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC001594373296 958562697 /nfs/dbraw/zinc/56/26/97/958562697.db2.gz OKJVZIMUYDFLOT-UHFFFAOYSA-N -1 3 344.411 2.884 20 10 EFCDHM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000779491379 978784040 /nfs/dbraw/zinc/78/40/40/978784040.db2.gz OEPSDPMOILAYBG-SFHVURJKSA-N -1 3 344.386 2.578 20 10 EFCDHM CCC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C(=O)[O-] ZINC001596001754 983259237 /nfs/dbraw/zinc/25/92/37/983259237.db2.gz XVTHRPJHPSBHQR-SNVBAGLBSA-N -1 3 332.194 2.506 20 10 EFCDHM CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001589191027 985595914 /nfs/dbraw/zinc/59/59/14/985595914.db2.gz TXMLTDLINBCUSW-GFCCVEGCSA-N -1 3 342.395 2.942 20 10 EFCDHM COc1ccc(N2CCCN(Cc3occc3C(=O)[O-])CC2)cc1 ZINC001599585071 993601806 /nfs/dbraw/zinc/60/18/06/993601806.db2.gz IMYAWZNFIYNMIX-UHFFFAOYSA-N -1 3 330.384 2.699 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2ccccc2OCC(=O)[O-])c1 ZINC001599598198 993777100 /nfs/dbraw/zinc/77/71/00/993777100.db2.gz HVNZMUDDQOBDLQ-GFCCVEGCSA-N -1 3 331.368 2.715 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001599598947 993787732 /nfs/dbraw/zinc/78/77/32/993787732.db2.gz WGSATTAKAFHXLD-VIFPVBQESA-N -1 3 336.775 2.998 20 10 EFCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC001593198184 994168819 /nfs/dbraw/zinc/16/88/19/994168819.db2.gz OCOFJHVDFQLDGV-MNOVXSKESA-N -1 3 343.383 2.993 20 10 EFCDHM C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593198186 994169226 /nfs/dbraw/zinc/16/92/26/994169226.db2.gz OCOFJHVDFQLDGV-WDEREUQCSA-N -1 3 343.383 2.993 20 10 EFCDHM C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219702 994303776 /nfs/dbraw/zinc/30/37/76/994303776.db2.gz PMMJKJHUUFZNHQ-WFASDCNBSA-N -1 3 346.427 2.532 20 10 EFCDHM C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593230164 994359583 /nfs/dbraw/zinc/35/95/83/994359583.db2.gz BNQXQGMBIMWVSY-AAEUAGOBSA-N -1 3 345.374 2.554 20 10 EFCDHM C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232842 994387105 /nfs/dbraw/zinc/38/71/05/994387105.db2.gz PNHNVRKOZBADNE-CYBMUJFWSA-N -1 3 341.411 2.805 20 10 EFCDHM C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257596 994531605 /nfs/dbraw/zinc/53/16/05/994531605.db2.gz QMQCGXYJBFAYMW-JSGCOSHPSA-N -1 3 335.400 2.817 20 10 EFCDHM COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599211484 997508292 /nfs/dbraw/zinc/50/82/92/997508292.db2.gz LDMGMFWGSMVXFD-GXTWGEPZSA-N -1 3 333.384 2.982 20 10 EFCDHM COc1cc(Cl)cc(C[NH2+]CCc2ncc(C(=O)[O-])s2)c1[O-] ZINC001599421047 997594390 /nfs/dbraw/zinc/59/43/90/997594390.db2.gz YQARKZFWJLSQDR-UHFFFAOYSA-N -1 3 342.804 2.541 20 10 EFCDHM COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[O-])cc(C(=O)[O-])c1 ZINC001598929551 997719087 /nfs/dbraw/zinc/71/90/87/997719087.db2.gz PAHDMUSMSNLUAY-UHFFFAOYSA-N -1 3 329.352 2.509 20 10 EFCDHM COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[O-])cc(C(=O)[O-])c1 ZINC001598929551 997719092 /nfs/dbraw/zinc/71/90/92/997719092.db2.gz PAHDMUSMSNLUAY-UHFFFAOYSA-N -1 3 329.352 2.509 20 10 EFCDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc1C ZINC001599571440 998371529 /nfs/dbraw/zinc/37/15/29/998371529.db2.gz CBADDXPJXUNLPB-KRWDZBQOSA-N -1 3 331.368 2.633 20 10 EFCDHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2F)c(O)c1OC ZINC001599572536 998388742 /nfs/dbraw/zinc/38/87/42/998388742.db2.gz BMTOAJGXOYHBMZ-UHFFFAOYSA-N -1 3 335.331 2.537 20 10 EFCDHM N[C@@H](Cc1cc2ccccc2o1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001580134079 1090785279 /nfs/dbraw/zinc/78/52/79/1090785279.db2.gz HNMNGXNXPKDLPO-HNNXBMFYSA-N -1 3 344.798 2.978 20 10 EFCDHM CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCO1 ZINC001589571671 1093107831 /nfs/dbraw/zinc/10/78/31/1093107831.db2.gz KWVCMEJALFNSQD-MELADBBJSA-N -1 3 345.447 2.817 20 10 EFCDHM CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCO1 ZINC001589571669 1093108531 /nfs/dbraw/zinc/10/85/31/1093108531.db2.gz KWVCMEJALFNSQD-BFHYXJOUSA-N -1 3 345.447 2.817 20 10 EFCDHM C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961468 1093196705 /nfs/dbraw/zinc/19/67/05/1093196705.db2.gz CZLQGECPKSMSSY-VXGBXAGGSA-N -1 3 331.420 2.571 20 10 EFCDHM C[C@H]([NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(F)cc1[O-] ZINC001589959635 1093197284 /nfs/dbraw/zinc/19/72/84/1093197284.db2.gz ZWVDDPYXQJBTEB-BONVTDFDSA-N -1 3 339.374 2.529 20 10 EFCDHM CC[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462644 1093432209 /nfs/dbraw/zinc/43/22/09/1093432209.db2.gz DQDXIDBLPWZPOD-JOYOIKCWSA-N -1 3 325.363 2.904 20 10 EFCDHM CC[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466192 1093437070 /nfs/dbraw/zinc/43/70/70/1093437070.db2.gz IYNJSYANGMTOID-BXUZGUMPSA-N -1 3 333.461 2.756 20 10 EFCDHM CC[C@H]([NH2+]C1CCC(OC)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466420 1093437880 /nfs/dbraw/zinc/43/78/80/1093437880.db2.gz MNKBRVKMGYASAB-QOZQQMKHSA-N -1 3 331.420 2.571 20 10 EFCDHM CC[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466503 1093438070 /nfs/dbraw/zinc/43/80/70/1093438070.db2.gz NJSWWMSBGXDHDD-WANXJXJMSA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@@H]([NH2+]CCC(C)(C)COC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466967 1093438800 /nfs/dbraw/zinc/43/88/00/1093438800.db2.gz NFZMBBQSYPWHSQ-CQSZACIVSA-N -1 3 333.436 2.676 20 10 EFCDHM CC[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469549 1093441983 /nfs/dbraw/zinc/44/19/83/1093441983.db2.gz KRBRFHHFPUABEI-INIZCTEOSA-N -1 3 339.399 2.561 20 10 EFCDHM CC[C@@H]([NH2+]CCC1(OC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469056 1093442266 /nfs/dbraw/zinc/44/22/66/1093442266.db2.gz XOJMKIOOADLWTE-CQSZACIVSA-N -1 3 331.420 2.572 20 10 EFCDHM CC[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468743 1093442354 /nfs/dbraw/zinc/44/23/54/1093442354.db2.gz XRBCCMYSJCKVLY-RHJSQNMRSA-N -1 3 335.358 2.801 20 10 EFCDHM CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469550 1093442618 /nfs/dbraw/zinc/44/26/18/1093442618.db2.gz KRBRFHHFPUABEI-MRXNPFEDSA-N -1 3 339.399 2.561 20 10 EFCDHM CCN1C(=O)C(=Cc2c(C)cc(-c3nnn[n-]3)cc2C)SC1=S ZINC001590725713 1093557327 /nfs/dbraw/zinc/55/73/27/1093557327.db2.gz KMHXJFWAHBKCAM-KPKJPENVSA-N -1 3 345.453 2.705 20 10 EFCDHM CCN1C(=O)C(=Cc2c(C)cc(-c3nn[n-]n3)cc2C)SC1=S ZINC001590725713 1093557339 /nfs/dbraw/zinc/55/73/39/1093557339.db2.gz KMHXJFWAHBKCAM-KPKJPENVSA-N -1 3 345.453 2.705 20 10 EFCDHM CCN1C(=O)C(=Cc2c(C)cc(-c3nnn[n-]3)cc2C)SC1=S ZINC001590725712 1093558030 /nfs/dbraw/zinc/55/80/30/1093558030.db2.gz KMHXJFWAHBKCAM-GHXNOFRVSA-N -1 3 345.453 2.705 20 10 EFCDHM CCN1C(=O)C(=Cc2c(C)cc(-c3nn[n-]n3)cc2C)SC1=S ZINC001590725712 1093558038 /nfs/dbraw/zinc/55/80/38/1093558038.db2.gz KMHXJFWAHBKCAM-GHXNOFRVSA-N -1 3 345.453 2.705 20 10 EFCDHM CCOCC(C)(C)C[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590799542 1093576295 /nfs/dbraw/zinc/57/62/95/1093576295.db2.gz AURWEPXYTPVMCY-AWEZNQCLSA-N -1 3 333.436 2.676 20 10 EFCDHM CN(C)c1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC001591032744 1093654995 /nfs/dbraw/zinc/65/49/95/1093654995.db2.gz YXGSADUIUNFMIC-UHFFFAOYSA-N -1 3 330.342 2.823 20 10 EFCDHM CN(C)c1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC001591032744 1093655000 /nfs/dbraw/zinc/65/50/00/1093655000.db2.gz YXGSADUIUNFMIC-UHFFFAOYSA-N -1 3 330.342 2.823 20 10 EFCDHM CN(C)c1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC001591032473 1093655138 /nfs/dbraw/zinc/65/51/38/1093655138.db2.gz OQXHKIRNJBXALG-UHFFFAOYSA-N -1 3 348.332 2.962 20 10 EFCDHM CN(C)c1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC001591032473 1093655142 /nfs/dbraw/zinc/65/51/42/1093655142.db2.gz OQXHKIRNJBXALG-UHFFFAOYSA-N -1 3 348.332 2.962 20 10 EFCDHM COC(=O)c1cnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC001591305920 1093686849 /nfs/dbraw/zinc/68/68/49/1093686849.db2.gz TYKCSGUHLZDCQS-MRVPVSSYSA-N -1 3 347.425 2.963 20 10 EFCDHM COC(=O)c1cnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001591305920 1093686855 /nfs/dbraw/zinc/68/68/55/1093686855.db2.gz TYKCSGUHLZDCQS-MRVPVSSYSA-N -1 3 347.425 2.963 20 10 EFCDHM COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591654517 1093820177 /nfs/dbraw/zinc/82/01/77/1093820177.db2.gz QCMNBWZKDYDVPB-NEPJUHHUSA-N -1 3 339.399 2.993 20 10 EFCDHM Cc1ccc(O)c(CNC(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)c1 ZINC001592027540 1093959235 /nfs/dbraw/zinc/95/92/35/1093959235.db2.gz UQQATXLNFQHOMN-UHFFFAOYSA-N -1 3 338.371 2.511 20 10 EFCDHM Cc1ccc(O)c(CNC(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)c1 ZINC001592027540 1093959237 /nfs/dbraw/zinc/95/92/37/1093959237.db2.gz UQQATXLNFQHOMN-UHFFFAOYSA-N -1 3 338.371 2.511 20 10 EFCDHM Cc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c(Cl)n1 ZINC001592165612 1094010243 /nfs/dbraw/zinc/01/02/43/1094010243.db2.gz OJAOMYXWLRPRBR-JTQLQIEISA-N -1 3 344.806 2.780 20 10 EFCDHM Oc1ccc(Cl)cc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001593540524 1094353084 /nfs/dbraw/zinc/35/30/84/1094353084.db2.gz HOCLRSZQCTZICW-UHFFFAOYSA-N -1 3 337.170 2.886 20 10 EFCDHM Oc1ccc(Cl)cc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001593540524 1094353093 /nfs/dbraw/zinc/35/30/93/1094353093.db2.gz HOCLRSZQCTZICW-UHFFFAOYSA-N -1 3 337.170 2.886 20 10 EFCDHM Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1C ZINC001600402749 1095037476 /nfs/dbraw/zinc/03/74/76/1095037476.db2.gz SLPPQQZBCOTZIC-PBHICJAKSA-N -1 3 343.423 2.961 20 10 EFCDHM O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1[O-] ZINC001602058882 1096045060 /nfs/dbraw/zinc/04/50/60/1096045060.db2.gz KOCAIOCCASGGJN-UHFFFAOYSA-N -1 3 325.286 2.896 20 10 EFCDHM O=C([O-])C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1[O-] ZINC001602058882 1096045047 /nfs/dbraw/zinc/04/50/47/1096045047.db2.gz KOCAIOCCASGGJN-UHFFFAOYSA-N -1 3 325.286 2.896 20 10 EFCDHM O=C([O-])c1cc2ccccc2c(CN2CCOC3(CCC3)C2)c1O ZINC001602303822 1096167668 /nfs/dbraw/zinc/16/76/68/1096167668.db2.gz HPSKACSJLYMAFF-UHFFFAOYSA-N -1 3 327.380 2.999 20 10 EFCDHM CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001603070424 1096431375 /nfs/dbraw/zinc/43/13/75/1096431375.db2.gz AEVHIWMODRZIGK-LLVKDONJSA-N -1 3 328.368 2.900 20 10 EFCDHM C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603677671 1096587401 /nfs/dbraw/zinc/58/74/01/1096587401.db2.gz YQTYFEABBHNPSF-VHSXEESVSA-N -1 3 328.351 2.518 20 10 EFCDHM CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056837 1096713452 /nfs/dbraw/zinc/71/34/52/1096713452.db2.gz WUSPZBDXBXNEFV-IUODEOHRSA-N -1 3 338.415 2.812 20 10 EFCDHM CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056835 1096713548 /nfs/dbraw/zinc/71/35/48/1096713548.db2.gz WUSPZBDXBXNEFV-DOMZBBRYSA-N -1 3 338.415 2.812 20 10 EFCDHM CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056838 1096713758 /nfs/dbraw/zinc/71/37/58/1096713758.db2.gz WUSPZBDXBXNEFV-SWLSCSKDSA-N -1 3 338.415 2.812 20 10 EFCDHM CC[C@@H]([NH2+]Cc1cnc(C)cc1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604061805 1096715593 /nfs/dbraw/zinc/71/55/93/1096715593.db2.gz NVWIXGYRTNIATH-MRXNPFEDSA-N -1 3 338.415 2.825 20 10 EFCDHM C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326214 1096812503 /nfs/dbraw/zinc/81/25/03/1096812503.db2.gz ROZLQZBJSSOQKD-PBHICJAKSA-N -1 3 342.439 2.914 20 10 EFCDHM C[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340249 1096820051 /nfs/dbraw/zinc/82/00/51/1096820051.db2.gz AIPUSVLMIYGSFD-LBPRGKRZSA-N -1 3 325.368 2.791 20 10 EFCDHM C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604341714 1096820496 /nfs/dbraw/zinc/82/04/96/1096820496.db2.gz RTKVBJKNKQMVTH-LBPRGKRZSA-N -1 3 325.368 2.631 20 10 EFCDHM C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342775 1096822234 /nfs/dbraw/zinc/82/22/34/1096822234.db2.gz NAFOMJIBKBMWSA-CYBMUJFWSA-N -1 3 334.416 2.534 20 10 EFCDHM CCOC(=O)c1cnc(Sc2ccc(-c3nnn[n-]3)c(C)c2)s1 ZINC001604390552 1096835868 /nfs/dbraw/zinc/83/58/68/1096835868.db2.gz VDCDTHDYCOFUAF-UHFFFAOYSA-N -1 3 347.425 2.960 20 10 EFCDHM CCOC(=O)c1cnc(Sc2ccc(-c3nn[n-]n3)c(C)c2)s1 ZINC001604390552 1096835877 /nfs/dbraw/zinc/83/58/77/1096835877.db2.gz VDCDTHDYCOFUAF-UHFFFAOYSA-N -1 3 347.425 2.960 20 10 EFCDHM CCOC(=O)c1cnc(Sc2cccc(-c3nnn[n-]3)c2)s1 ZINC001604390015 1096836503 /nfs/dbraw/zinc/83/65/03/1096836503.db2.gz KQRSAQIQGSGOBM-UHFFFAOYSA-N -1 3 333.398 2.651 20 10 EFCDHM CCOC(=O)c1cnc(Sc2cccc(-c3nn[n-]n3)c2)s1 ZINC001604390015 1096836517 /nfs/dbraw/zinc/83/65/17/1096836517.db2.gz KQRSAQIQGSGOBM-UHFFFAOYSA-N -1 3 333.398 2.651 20 10 EFCDHM CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604538577 1096897976 /nfs/dbraw/zinc/89/79/76/1096897976.db2.gz KBKFDBARQAOTEZ-NWDGAFQWSA-N -1 3 338.415 2.942 20 10 EFCDHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1O ZINC001605404696 1097119247 /nfs/dbraw/zinc/11/92/47/1097119247.db2.gz RVRARKCXWXYDBV-SECBINFHSA-N -1 3 342.334 2.594 20 10 EFCDHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1O ZINC001605404696 1097119253 /nfs/dbraw/zinc/11/92/53/1097119253.db2.gz RVRARKCXWXYDBV-SECBINFHSA-N -1 3 342.334 2.594 20 10 EFCDHM CCN1[C@H](C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001605487356 1097135885 /nfs/dbraw/zinc/13/58/85/1097135885.db2.gz JPPAFPGQZWAULW-ZZSKPALWSA-N -1 3 333.388 2.612 20 10 EFCDHM CCN1[C@H](C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001605487355 1097136056 /nfs/dbraw/zinc/13/60/56/1097136056.db2.gz JPPAFPGQZWAULW-UMJOLFIYSA-N -1 3 333.388 2.612 20 10 EFCDHM CCOc1cccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c1O ZINC001605704257 1097199092 /nfs/dbraw/zinc/19/90/92/1097199092.db2.gz FPLIXAXUMAQAQZ-HNNXBMFYSA-N -1 3 337.322 2.985 20 10 EFCDHM CCc1oc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)cc1C(=O)[O-] ZINC001605892296 1097268331 /nfs/dbraw/zinc/26/83/31/1097268331.db2.gz QPWVQNKHPGDSTJ-ZDUSSCGKSA-N -1 3 344.411 2.917 20 10 EFCDHM Cc1cncc(C=CC(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001605982699 1097292334 /nfs/dbraw/zinc/29/23/34/1097292334.db2.gz FXVUCYVVEKISCM-QPJJXVBHSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1cncc(C=CC(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001605982699 1097292338 /nfs/dbraw/zinc/29/23/38/1097292338.db2.gz FXVUCYVVEKISCM-QPJJXVBHSA-N -1 3 346.394 2.563 20 10 EFCDHM COc1cc(Br)cc(C[NH2+]C(C)(C)CCC(=O)[O-])c1[O-] ZINC001607055283 1097502545 /nfs/dbraw/zinc/50/25/45/1097502545.db2.gz BYHBBNBRSMVFJT-UHFFFAOYSA-N -1 3 346.221 2.896 20 10 EFCDHM Cn1c(-c2ccccc2)cnc1SCc1ccc(-c2nnn[n-]2)cn1 ZINC001609475080 1098346571 /nfs/dbraw/zinc/34/65/71/1098346571.db2.gz KFMBWGGOAUYYLA-UHFFFAOYSA-N -1 3 349.423 2.955 20 10 EFCDHM Cn1c(-c2ccccc2)cnc1SCc1ccc(-c2nn[n-]n2)cn1 ZINC001609475080 1098346577 /nfs/dbraw/zinc/34/65/77/1098346577.db2.gz KFMBWGGOAUYYLA-UHFFFAOYSA-N -1 3 349.423 2.955 20 10 EFCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H](O)Cc1ccccc1 ZINC001609772349 1098452473 /nfs/dbraw/zinc/45/24/73/1098452473.db2.gz CENKOOXOHPZZMH-JCGVRSQUSA-N -1 3 329.396 2.733 20 10 EFCDHM C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774048 1098453214 /nfs/dbraw/zinc/45/32/14/1098453214.db2.gz RNHMDIOBDMPOSY-BXUZGUMPSA-N -1 3 333.359 2.656 20 10 EFCDHM CCOc1ccc(O)c(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC001610043603 1098528739 /nfs/dbraw/zinc/52/87/39/1098528739.db2.gz WUEOGYAWGJDZLX-INIZCTEOSA-N -1 3 337.322 2.985 20 10 EFCDHM COc1ccc(OCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001610344697 1098631215 /nfs/dbraw/zinc/63/12/15/1098631215.db2.gz MKZRNXVZCKOSMA-LBPRGKRZSA-N -1 3 331.368 2.829 20 10 EFCDHM O=C([O-])[C@@H]1[C@@H](CN(Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC001610731656 1098856159 /nfs/dbraw/zinc/85/61/59/1098856159.db2.gz PEJVOTNYWBDFLR-HIFRSBDPSA-N -1 3 337.322 2.953 20 10 EFCDHM COc1cc(Br)c([O-])c(Nc2ccnc(C(C)=O)c2)c1 ZINC001210591184 1102723128 /nfs/dbraw/zinc/72/31/28/1102723128.db2.gz DFAUVFWMIKTPOS-UHFFFAOYSA-N -1 3 337.173 2.926 20 10 EFCDHM CC(C)(C)N1CC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000897577335 1105779801 /nfs/dbraw/zinc/77/98/01/1105779801.db2.gz VVNAGCWMHGRHSA-LBPRGKRZSA-N -1 3 341.249 2.644 20 10 EFCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC001142508788 1106029750 /nfs/dbraw/zinc/02/97/50/1106029750.db2.gz LKJPNQPBZDYERV-CYBMUJFWSA-N -1 3 325.277 2.950 20 10 EFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142530348 1106228601 /nfs/dbraw/zinc/22/86/01/1106228601.db2.gz FJYKXTZVTUJCQJ-FZMZJTMJSA-N -1 3 340.370 2.722 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCO[C@H](C(F)(F)F)C1 ZINC000698972944 1108429496 /nfs/dbraw/zinc/42/94/96/1108429496.db2.gz WEBOCMVXLTUQJN-NSHDSACASA-N -1 3 340.139 2.918 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H](CCO)C1 ZINC001235303156 1111731992 /nfs/dbraw/zinc/73/19/92/1111731992.db2.gz LPAAPHDELUZUSW-JTQLQIEISA-N -1 3 332.213 2.888 20 10 EFCDHM [O-]c1c(CNc2cnc3[nH]nnc3c2)cc(Cl)c2cccnc12 ZINC001168523269 1112047073 /nfs/dbraw/zinc/04/70/73/1112047073.db2.gz MTUXCPRYEHXOFE-UHFFFAOYSA-N -1 3 326.747 2.872 20 10 EFCDHM COC(=O)c1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168523851 1112134730 /nfs/dbraw/zinc/13/47/30/1112134730.db2.gz UAPZVBPRIDYHMB-UHFFFAOYSA-N -1 3 344.758 2.783 20 10 EFCDHM [O-]c1c(CNc2cncc3nncn32)cc(Cl)c2cccnc12 ZINC001168526595 1118796296 /nfs/dbraw/zinc/79/62/96/1118796296.db2.gz ZRKMKFVDJCQYMN-UHFFFAOYSA-N -1 3 326.747 2.644 20 10 EFCDHM [O-]c1c(CNc2ncc3[nH]cnc3n2)cc(Cl)c2cccnc12 ZINC001168527459 1119876381 /nfs/dbraw/zinc/87/63/81/1119876381.db2.gz IUPFREWHVXEWGY-UHFFFAOYSA-N -1 3 326.747 2.824 20 10 EFCDHM CNC(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168528230 1120208441 /nfs/dbraw/zinc/20/84/41/1120208441.db2.gz QQYBBDUZBOUTSR-UHFFFAOYSA-N -1 3 342.786 2.961 20 10 EFCDHM CC(C)c1nnc(CNCc2cc(Br)ccc2[O-])[nH]1 ZINC000294733367 534985526 /nfs/dbraw/zinc/98/55/26/534985526.db2.gz GNHPBZXELFIMRX-UHFFFAOYSA-N -1 3 325.210 2.686 20 10 EFCDHM COCCCOC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000175716191 239283052 /nfs/dbraw/zinc/28/30/52/239283052.db2.gz UJVUIOJUYBEZRN-UHFFFAOYSA-N -1 3 339.407 2.751 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c([O-])c1O ZINC000177671372 239386436 /nfs/dbraw/zinc/38/64/36/239386436.db2.gz DIZVVMMAQIODJS-AWEZNQCLSA-N -1 3 326.396 2.663 20 10 EFCDHM Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c([O-])c1O ZINC000177676194 239388454 /nfs/dbraw/zinc/38/84/54/239388454.db2.gz NLDJPONAYRXQEU-UHFFFAOYSA-N -1 3 341.342 2.661 20 10 EFCDHM Cc1cccc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000177663904 239385560 /nfs/dbraw/zinc/38/55/60/239385560.db2.gz OTEVJZRQNMYTPU-UHFFFAOYSA-N -1 3 326.396 2.677 20 10 EFCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1ccccc1F ZINC000193142670 240089216 /nfs/dbraw/zinc/08/92/16/240089216.db2.gz PFQOYMJLSDEPRJ-UHFFFAOYSA-N -1 3 327.315 2.983 20 10 EFCDHM Cc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2[O-])N2CCCC2)o1 ZINC000276515364 240766976 /nfs/dbraw/zinc/76/69/76/240766976.db2.gz BUGDRKNXCUASOK-ZDUSSCGKSA-N -1 3 348.374 2.705 20 10 EFCDHM CC(=O)c1cc(F)cc(CN[C@]2(CO)CCc3ccccc32)c1[O-] ZINC000305738320 241202897 /nfs/dbraw/zinc/20/28/97/241202897.db2.gz QPEHHTLALABAAA-IBGZPJMESA-N -1 3 329.371 2.658 20 10 EFCDHM CC(=O)c1cc(F)cc(CN[C@@]2(CO)CCc3ccccc32)c1[O-] ZINC000305738321 241203174 /nfs/dbraw/zinc/20/31/74/241203174.db2.gz QPEHHTLALABAAA-LJQANCHMSA-N -1 3 329.371 2.658 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@]2(CO)CCc3ccccc32)c1[O-] ZINC000305138357 241200324 /nfs/dbraw/zinc/20/03/24/241200324.db2.gz HCAWDFWHWGWNJL-KRWDZBQOSA-N -1 3 348.786 2.877 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000363997756 242290028 /nfs/dbraw/zinc/29/00/28/242290028.db2.gz UXIWYCSZQPVNIT-SRBZOADZSA-N -1 3 337.391 2.502 20 10 EFCDHM O=C(NC1CCN(c2cccc(F)c2)CC1)c1cccc(O)c1[O-] ZINC000364805844 242308412 /nfs/dbraw/zinc/30/84/12/242308412.db2.gz BTGICROPKPQXJD-UHFFFAOYSA-N -1 3 330.359 2.636 20 10 EFCDHM COCCOC[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177350858 533114195 /nfs/dbraw/zinc/11/41/95/533114195.db2.gz SJVFIXAHNKMVEC-CYBMUJFWSA-N -1 3 341.835 2.733 20 10 EFCDHM CC(=O)Nc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000279135183 277075764 /nfs/dbraw/zinc/07/57/64/277075764.db2.gz RKZCJJSMYRYPMO-SNVBAGLBSA-N -1 3 330.344 2.505 20 10 EFCDHM COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccc(F)cc2[O-])C1=O ZINC000186102076 278054269 /nfs/dbraw/zinc/05/42/69/278054269.db2.gz BWJNIEYGDXZMPQ-IUODEOHRSA-N -1 3 344.386 2.996 20 10 EFCDHM C[C@@H](CN1CCOCC1)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000279397958 278262917 /nfs/dbraw/zinc/26/29/17/278262917.db2.gz KRVDTNAPEMOLKI-NSHDSACASA-N -1 3 333.259 2.852 20 10 EFCDHM Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000367878393 281244232 /nfs/dbraw/zinc/24/42/32/281244232.db2.gz KYMZZOHTCCQFCD-AWEZNQCLSA-N -1 3 341.411 2.826 20 10 EFCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000185159248 473346596 /nfs/dbraw/zinc/34/65/96/473346596.db2.gz OASALWUMGTUMLJ-UHFFFAOYSA-N -1 3 345.468 2.629 20 10 EFCDHM O=S(=O)([N-]c1c(F)c(F)cc(F)c1F)c1cccc2nonc21 ZINC000014256538 471866669 /nfs/dbraw/zinc/86/66/69/471866669.db2.gz PEYADCGADNVLMU-UHFFFAOYSA-N -1 3 347.249 2.580 20 10 EFCDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1[O-] ZINC000024192794 472048747 /nfs/dbraw/zinc/04/87/47/472048747.db2.gz KXAQJGCYRRQWEY-UHFFFAOYSA-N -1 3 326.396 2.501 20 10 EFCDHM COc1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000084937364 472229347 /nfs/dbraw/zinc/22/93/47/472229347.db2.gz GXHJUTHVLFPTHL-UHFFFAOYSA-N -1 3 330.359 2.502 20 10 EFCDHM C[C@@H]1CCCN(C(=O)CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000096970979 472403051 /nfs/dbraw/zinc/40/30/51/472403051.db2.gz DGCBYPQYMGJHLO-AEFFLSMTSA-N -1 3 346.471 2.632 20 10 EFCDHM COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c([O-])c1 ZINC000032914730 472479501 /nfs/dbraw/zinc/47/95/01/472479501.db2.gz YTLYXOJBRLQHNE-UHFFFAOYSA-N -1 3 326.396 2.931 20 10 EFCDHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)Cc1ccccc1O)c2=O ZINC000077258401 472488178 /nfs/dbraw/zinc/48/81/78/472488178.db2.gz XSDXYEVKORDMDB-UHFFFAOYSA-N -1 3 338.363 2.515 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000119216428 472536217 /nfs/dbraw/zinc/53/62/17/472536217.db2.gz RIDDXXUPUMLQAZ-CYBMUJFWSA-N -1 3 341.249 2.645 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](Cc3nccn3C)C2)c1[O-] ZINC000090003493 472576843 /nfs/dbraw/zinc/57/68/43/472576843.db2.gz ZHXLMYMVHSHJNH-CQSZACIVSA-N -1 3 345.418 2.922 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC000131843792 472697300 /nfs/dbraw/zinc/69/73/00/472697300.db2.gz UEFOTFGNRLVJBW-MRXNPFEDSA-N -1 3 330.359 2.782 20 10 EFCDHM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(OC)c(OC)cc1[O-] ZINC000131872521 472698122 /nfs/dbraw/zinc/69/81/22/472698122.db2.gz LUNJJVAHZRRDNX-KRWDZBQOSA-N -1 3 348.443 2.953 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2cccn2C)c1[O-] ZINC000132001713 472708202 /nfs/dbraw/zinc/70/82/02/472708202.db2.gz YYUVAGYVWSNSJW-KRWDZBQOSA-N -1 3 332.375 2.646 20 10 EFCDHM COC(=O)CN(Cc1csc(C)n1)Cc1cc(Cl)ccc1[O-] ZINC000120771477 472745573 /nfs/dbraw/zinc/74/55/73/472745573.db2.gz PDUJLAMBVMAQCJ-UHFFFAOYSA-N -1 3 340.832 2.986 20 10 EFCDHM CC[C@H](NCc1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000157006211 472775553 /nfs/dbraw/zinc/77/55/53/472775553.db2.gz GSSNSIXTQCVHKN-NSHDSACASA-N -1 3 325.210 2.524 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000091855913 472816665 /nfs/dbraw/zinc/81/66/65/472816665.db2.gz PEEQKGBBFFHMMT-AAEUAGOBSA-N -1 3 344.820 2.660 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H]1CN1CCOCC1 ZINC000092218192 472877717 /nfs/dbraw/zinc/87/77/17/472877717.db2.gz LXVGVXYSLMZVIE-AWEZNQCLSA-N -1 3 345.270 2.996 20 10 EFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1 ZINC000158029681 472884787 /nfs/dbraw/zinc/88/47/87/472884787.db2.gz FEKPPPJOGRKVIH-INIZCTEOSA-N -1 3 345.830 2.835 20 10 EFCDHM CNC(=O)[C@H]1CCCCN1Cc1cc(Br)cc(C)c1[O-] ZINC000158027082 472884960 /nfs/dbraw/zinc/88/49/60/472884960.db2.gz NEWYLPVICHPDFJ-CYBMUJFWSA-N -1 3 341.249 2.564 20 10 EFCDHM CCOCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158085247 472891129 /nfs/dbraw/zinc/89/11/29/472891129.db2.gz RZIRIBBGVAXQIN-OAHLLOKOSA-N -1 3 340.851 2.553 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000135584867 473097188 /nfs/dbraw/zinc/09/71/88/473097188.db2.gz PTMMNXBYEJJTEK-MRXNPFEDSA-N -1 3 331.391 2.977 20 10 EFCDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093454670 473109897 /nfs/dbraw/zinc/10/98/97/473109897.db2.gz UQEGQWWCPLKODX-INIZCTEOSA-N -1 3 335.835 2.725 20 10 EFCDHM C[C@@H](C(=O)N1CCc2sccc2C1)N(C)Cc1ccccc1[O-] ZINC000109770655 473120017 /nfs/dbraw/zinc/12/00/17/473120017.db2.gz CREYFBDDTAIVNZ-ZDUSSCGKSA-N -1 3 330.453 2.859 20 10 EFCDHM COc1cc(Br)cc(CN2CCOC[C@H]2C2CC2)c1[O-] ZINC000093645282 473129211 /nfs/dbraw/zinc/12/92/11/473129211.db2.gz STGFVDDMFLXOSX-ZDUSSCGKSA-N -1 3 342.233 2.774 20 10 EFCDHM CCCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000094033697 473168852 /nfs/dbraw/zinc/16/88/52/473168852.db2.gz CEYWSJFMXWLQPT-UHFFFAOYSA-N -1 3 342.461 2.805 20 10 EFCDHM Cc1ccccc1CCNC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000111236239 473197677 /nfs/dbraw/zinc/19/76/77/473197677.db2.gz BGADNVGAEDBNML-MRXNPFEDSA-N -1 3 326.440 2.880 20 10 EFCDHM COc1ccccc1[C@H](C)NC(=O)CN(C)Cc1ccccc1[O-] ZINC000111236124 473198544 /nfs/dbraw/zinc/19/85/44/473198544.db2.gz DNAHWHYPMRDOIU-AWEZNQCLSA-N -1 3 328.412 2.710 20 10 EFCDHM C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191210922 473509280 /nfs/dbraw/zinc/50/92/80/473509280.db2.gz CQOBGOFVDOVGND-GFCCVEGCSA-N -1 3 334.366 2.980 20 10 EFCDHM O=C(NCc1nnc(-c2ccccc2)s1)c1cccc(O)c1[O-] ZINC000185845169 473528635 /nfs/dbraw/zinc/52/86/35/473528635.db2.gz UIOPOLHAEFVCJH-UHFFFAOYSA-N -1 3 327.365 2.546 20 10 EFCDHM C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186082001 473587380 /nfs/dbraw/zinc/58/73/80/473587380.db2.gz WCACEHRCBFYRKM-RISCZKNCSA-N -1 3 348.834 2.625 20 10 EFCDHM COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccc(F)cc2[O-])C1=O ZINC000186102057 473591515 /nfs/dbraw/zinc/59/15/15/473591515.db2.gz BWJNIEYGDXZMPQ-SWLSCSKDSA-N -1 3 344.386 2.996 20 10 EFCDHM COc1cc(Br)cc(CN2CCCO[C@@H](C)C2)c1[O-] ZINC000179394808 473683798 /nfs/dbraw/zinc/68/37/98/473683798.db2.gz VBRMFIRDUMQRIW-JTQLQIEISA-N -1 3 330.222 2.774 20 10 EFCDHM Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c([O-])c1O ZINC000179478920 473690077 /nfs/dbraw/zinc/69/00/77/473690077.db2.gz NQZCEXNXBLRMGK-LLVKDONJSA-N -1 3 340.379 2.782 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c([O-])c1O ZINC000179475464 473690157 /nfs/dbraw/zinc/69/01/57/473690157.db2.gz NIMHKBGJEDBZBN-OAHLLOKOSA-N -1 3 349.333 2.898 20 10 EFCDHM Cc1ccc(C(=O)NCCc2nc3c(s2)CCCC3)c([O-])c1O ZINC000179548692 473694159 /nfs/dbraw/zinc/69/41/59/473694159.db2.gz CIJGSICLYWWZOG-UHFFFAOYSA-N -1 3 332.425 2.714 20 10 EFCDHM CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000179563750 473694670 /nfs/dbraw/zinc/69/46/70/473694670.db2.gz PAGKOLCFTDNXCM-UHFFFAOYSA-N -1 3 349.452 2.697 20 10 EFCDHM O=C(c1c(F)cccc1F)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179564326 473695245 /nfs/dbraw/zinc/69/52/45/473695245.db2.gz AWODRNLXPQKTOL-UHFFFAOYSA-N -1 3 332.350 2.628 20 10 EFCDHM O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179568828 473695809 /nfs/dbraw/zinc/69/58/09/473695809.db2.gz OQIWCVBWUIYDOY-UHFFFAOYSA-N -1 3 332.350 2.628 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@](C)(O)C1CC1 ZINC000287586129 473703231 /nfs/dbraw/zinc/70/32/31/473703231.db2.gz XRKGLQULPWQWKT-OAHLLOKOSA-N -1 3 342.233 2.664 20 10 EFCDHM COC(=O)C[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000179886954 473749351 /nfs/dbraw/zinc/74/93/51/473749351.db2.gz QHUXFEOMWWUSOG-LBPRGKRZSA-N -1 3 328.206 2.682 20 10 EFCDHM COC(=O)CN(CCOC1CCC1)Cc1cc(Cl)ccc1[O-] ZINC000287715676 473742263 /nfs/dbraw/zinc/74/22/63/473742263.db2.gz JXRDHTUKKSAUEN-UHFFFAOYSA-N -1 3 327.808 2.590 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000287815703 473767253 /nfs/dbraw/zinc/76/72/53/473767253.db2.gz JXVGMFRBWMETNO-BRWVUGGUSA-N -1 3 339.391 2.743 20 10 EFCDHM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000186887966 473775298 /nfs/dbraw/zinc/77/52/98/473775298.db2.gz ORRBVPKHYGIMJO-UHFFFAOYSA-N -1 3 342.395 2.734 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)c([O-])c1O ZINC000274323722 473782708 /nfs/dbraw/zinc/78/27/08/473782708.db2.gz DHCUGJZDESFRFP-CYBMUJFWSA-N -1 3 335.400 2.600 20 10 EFCDHM CC[C@@H](NCC(=O)N1CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287904302 473794562 /nfs/dbraw/zinc/79/45/62/473794562.db2.gz ZUYFYOCFOSZPPD-CYBMUJFWSA-N -1 3 347.242 2.599 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000180278691 473845545 /nfs/dbraw/zinc/84/55/45/473845545.db2.gz NPVNMGSXHHKXLE-IEBWSBKVSA-N -1 3 331.387 2.856 20 10 EFCDHM [O-]c1c(F)cccc1CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281896784 473876658 /nfs/dbraw/zinc/87/66/58/473876658.db2.gz WUGJBSYNWUTZBE-MOPGFXCFSA-N -1 3 342.414 2.617 20 10 EFCDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)s1 ZINC000269939630 473926372 /nfs/dbraw/zinc/92/63/72/473926372.db2.gz FFBZHBOUMDMZKZ-UHFFFAOYSA-N -1 3 337.470 2.530 20 10 EFCDHM C[C@H]1CCCN(c2ccc(CNC(=O)c3c[n-]nn3)cc2Cl)C1 ZINC000282255991 474000181 /nfs/dbraw/zinc/00/01/81/474000181.db2.gz ORNRUPQMKGURTR-NSHDSACASA-N -1 3 333.823 2.624 20 10 EFCDHM C[C@H]1CCCN(c2ccc(CNC(=O)c3cnn[n-]3)cc2Cl)C1 ZINC000282255991 474000184 /nfs/dbraw/zinc/00/01/84/474000184.db2.gz ORNRUPQMKGURTR-NSHDSACASA-N -1 3 333.823 2.624 20 10 EFCDHM C[C@H]1CCCN(c2ccc(CNC(=O)c3cn[n-]n3)cc2Cl)C1 ZINC000282255991 474000192 /nfs/dbraw/zinc/00/01/92/474000192.db2.gz ORNRUPQMKGURTR-NSHDSACASA-N -1 3 333.823 2.624 20 10 EFCDHM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000274948504 474024575 /nfs/dbraw/zinc/02/45/75/474024575.db2.gz HPMVLXWBJKWBCV-OAHLLOKOSA-N -1 3 337.379 2.962 20 10 EFCDHM C[C@H]1CN(c2ccccc2NC(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000188228155 474026588 /nfs/dbraw/zinc/02/65/88/474026588.db2.gz UGPPMGDSAWDYOW-STQMWFEESA-N -1 3 342.395 2.964 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1CC=CCC1 ZINC000181588915 474050885 /nfs/dbraw/zinc/05/08/85/474050885.db2.gz LDJFQHXZJLBQRM-GFCCVEGCSA-N -1 3 337.803 2.904 20 10 EFCDHM CN(CC(=O)N1CCSc2ccccc21)Cc1ccccc1[O-] ZINC000264694145 474091550 /nfs/dbraw/zinc/09/15/50/474091550.db2.gz IDMNYGNXPMRJFP-UHFFFAOYSA-N -1 3 328.437 2.963 20 10 EFCDHM CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(C)c(O)c1[O-])C2 ZINC000182156638 474111773 /nfs/dbraw/zinc/11/17/73/474111773.db2.gz BJWKLAOYWRYBPW-UHFFFAOYSA-N -1 3 340.379 2.563 20 10 EFCDHM CC[C@H]1CN(Cc2c([O-])ccc3ccccc32)C[C@H](C)S1(=O)=O ZINC000289088936 474144196 /nfs/dbraw/zinc/14/41/96/474144196.db2.gz OQSFBKABPBGMSW-ZFWWWQNUSA-N -1 3 333.453 2.943 20 10 EFCDHM COc1c([O-])c(CNc2ccc(OCCCO)cc2)ccc1[N+](=O)[O-] ZINC000289216053 474186204 /nfs/dbraw/zinc/18/62/04/474186204.db2.gz CGMNZCKSSWAONH-UHFFFAOYSA-N -1 3 348.355 2.682 20 10 EFCDHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1O ZINC000182548478 474203002 /nfs/dbraw/zinc/20/30/02/474203002.db2.gz FHLXIFMVFGGCME-OIRASMEMSA-N -1 3 347.436 2.977 20 10 EFCDHM CS(=O)(=O)[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000282823996 474207444 /nfs/dbraw/zinc/20/74/44/474207444.db2.gz UIJRNQVOSRRHAR-QGZVFWFLSA-N -1 3 331.437 2.678 20 10 EFCDHM C[C@@H](NCc1cc(Br)ccc1[O-])c1nnc2n1CCC2 ZINC000226036567 474237848 /nfs/dbraw/zinc/23/78/48/474237848.db2.gz XORDAFUOAYZJMJ-SECBINFHSA-N -1 3 337.221 2.543 20 10 EFCDHM C[C@H](NCc1cc(Br)ccc1[O-])c1nnc2n1CCC2 ZINC000226036577 474238389 /nfs/dbraw/zinc/23/83/89/474238389.db2.gz XORDAFUOAYZJMJ-VIFPVBQESA-N -1 3 337.221 2.543 20 10 EFCDHM COc1c([O-])c(CN2CCC=C(c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000289529533 474310159 /nfs/dbraw/zinc/31/01/59/474310159.db2.gz HNTABRRLJBDKQM-UHFFFAOYSA-N -1 3 341.367 2.993 20 10 EFCDHM C[C@@H]1CS(=O)(=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271188094 474431925 /nfs/dbraw/zinc/43/19/25/474431925.db2.gz NYDRIDUUJGTWGE-CQSZACIVSA-N -1 3 331.437 2.678 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)COC(C)C ZINC000266555077 474436189 /nfs/dbraw/zinc/43/61/89/474436189.db2.gz TUWYSMGWFZNZBB-UHFFFAOYSA-N -1 3 330.222 2.928 20 10 EFCDHM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276210619 474453235 /nfs/dbraw/zinc/45/32/35/474453235.db2.gz LDNBMQDJAAFUGV-RBUKOAKNSA-N -1 3 341.407 2.558 20 10 EFCDHM COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276210610 474453995 /nfs/dbraw/zinc/45/39/95/474453995.db2.gz LDNBMQDJAAFUGV-OALUTQOASA-N -1 3 341.407 2.558 20 10 EFCDHM Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000271276122 474471339 /nfs/dbraw/zinc/47/13/39/474471339.db2.gz KYSTYXVQLNKAMJ-LRDDRELGSA-N -1 3 335.835 2.725 20 10 EFCDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000271276119 474471486 /nfs/dbraw/zinc/47/14/86/474471486.db2.gz KYSTYXVQLNKAMJ-BLLLJJGKSA-N -1 3 335.835 2.725 20 10 EFCDHM CCCOc1ccc(CN2C[C@H](C)S(=O)(=O)[C@@H](CC)C2)c([O-])c1 ZINC000289930286 474489048 /nfs/dbraw/zinc/48/90/48/474489048.db2.gz WJTHITCZIYUCAC-BBRMVZONSA-N -1 3 341.473 2.579 20 10 EFCDHM CCCOc1ccc(CN2C[C@@H](C)S(=O)(=O)[C@H](CC)C2)c([O-])c1 ZINC000289930293 474489378 /nfs/dbraw/zinc/48/93/78/474489378.db2.gz WJTHITCZIYUCAC-CZUORRHYSA-N -1 3 341.473 2.579 20 10 EFCDHM COc1c([O-])c(CN[C@@H]2c3ccccc3O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289985830 474515308 /nfs/dbraw/zinc/51/53/08/474515308.db2.gz BWOYUSNPQQYFGB-BMIGLBTASA-N -1 3 330.340 2.921 20 10 EFCDHM C[C@@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1ncnn1C ZINC000276696589 474568937 /nfs/dbraw/zinc/56/89/37/474568937.db2.gz VJWZQAGYBWQLNB-DTWKUNHWSA-N -1 3 325.210 2.695 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377338 474569344 /nfs/dbraw/zinc/56/93/44/474569344.db2.gz HWSDZFVQSHOMIS-CYBMUJFWSA-N -1 3 346.387 2.986 20 10 EFCDHM CCCOc1ccc(CN[C@@H](C(=O)OC)c2cccc(O)c2)c([O-])c1 ZINC000276740625 474569873 /nfs/dbraw/zinc/56/98/73/474569873.db2.gz IYILJJQBRONEMB-GOSISDBHSA-N -1 3 345.395 2.891 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377341 474570147 /nfs/dbraw/zinc/57/01/47/474570147.db2.gz HWSDZFVQSHOMIS-ZDUSSCGKSA-N -1 3 346.387 2.986 20 10 EFCDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000276769544 474571427 /nfs/dbraw/zinc/57/14/27/474571427.db2.gz YDGCCZPJWPWKBG-OAHLLOKOSA-N -1 3 344.386 2.804 20 10 EFCDHM CCc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3[O-])CCO2)cc1 ZINC000276952228 474575253 /nfs/dbraw/zinc/57/52/53/474575253.db2.gz SLJFSMQJQRRHTK-KRWDZBQOSA-N -1 3 327.380 2.874 20 10 EFCDHM CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184669832 474580042 /nfs/dbraw/zinc/58/00/42/474580042.db2.gz UQWBVFWXSWUODN-NSHDSACASA-N -1 3 327.808 2.829 20 10 EFCDHM COc1cc(Cl)cc(CN2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000184676484 474580245 /nfs/dbraw/zinc/58/02/45/474580245.db2.gz ZFKSUGXMXMRTGG-UHFFFAOYSA-N -1 3 338.757 2.734 20 10 EFCDHM CC[C@@H](C(=O)NCc1cccc(Br)c1[O-])N(CC)CC ZINC000277459536 474586294 /nfs/dbraw/zinc/58/62/94/474586294.db2.gz GURBEEWRPZXVQY-ZDUSSCGKSA-N -1 3 343.265 2.891 20 10 EFCDHM COC(=O)[C@]1(F)CCN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000271765404 474590139 /nfs/dbraw/zinc/59/01/39/474590139.db2.gz FIJPBRBHKGCAQS-AWEZNQCLSA-N -1 3 346.196 2.550 20 10 EFCDHM Nc1c(Cl)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Cl ZINC000277873498 474597369 /nfs/dbraw/zinc/59/73/69/474597369.db2.gz BBSBJVSHVFWDDP-SSDOTTSWSA-N -1 3 342.104 2.953 20 10 EFCDHM CCCOc1ccc(CN2CCN(c3ccnc(C)n3)CC2)c([O-])c1 ZINC000184762517 474602572 /nfs/dbraw/zinc/60/25/72/474602572.db2.gz WMFBTBPIRABLKG-UHFFFAOYSA-N -1 3 342.443 2.602 20 10 EFCDHM COc1c([O-])c(CN(C)Cc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000278189718 474602634 /nfs/dbraw/zinc/60/26/34/474602634.db2.gz HVCHYKDZEOVJHN-UHFFFAOYSA-N -1 3 347.327 2.849 20 10 EFCDHM Cc1cccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1C ZINC000184771577 474604445 /nfs/dbraw/zinc/60/44/45/474604445.db2.gz IUNVNCKWKGTOJX-UHFFFAOYSA-N -1 3 326.396 2.677 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(c3cccc(F)c3F)CC2)c([O-])c1O ZINC000272747039 474624111 /nfs/dbraw/zinc/62/41/11/474624111.db2.gz NGJKLVYZPBNXMV-UHFFFAOYSA-N -1 3 348.349 2.647 20 10 EFCDHM COc1cc(N(C)C(=O)c2ccc(C)c(O)c2[O-])cc(OC)c1OC ZINC000272733904 474624667 /nfs/dbraw/zinc/62/46/67/474624667.db2.gz KMFCAJWZKVHFIH-UHFFFAOYSA-N -1 3 347.367 2.709 20 10 EFCDHM CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])[nH]1 ZINC000278372380 474625101 /nfs/dbraw/zinc/62/51/01/474625101.db2.gz KUTVYJXNXAWCFY-NXEZZACHSA-N -1 3 349.391 2.791 20 10 EFCDHM CC[C@@H](C)c1nc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])n[nH]1 ZINC000278372380 474625102 /nfs/dbraw/zinc/62/51/02/474625102.db2.gz KUTVYJXNXAWCFY-NXEZZACHSA-N -1 3 349.391 2.791 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)c([O-])c1O ZINC000272763906 474625423 /nfs/dbraw/zinc/62/54/23/474625423.db2.gz QUNWBZNJDAQWQH-GFCCVEGCSA-N -1 3 329.352 2.877 20 10 EFCDHM Cc1ccnc(OC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000272905576 474638310 /nfs/dbraw/zinc/63/83/10/474638310.db2.gz KVNBCNDOVRGNKN-UHFFFAOYSA-N -1 3 342.395 2.793 20 10 EFCDHM CCc1noc(CC)c1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278493289 474659713 /nfs/dbraw/zinc/65/97/13/474659713.db2.gz LXHCBEMIIAGUDI-UHFFFAOYSA-N -1 3 335.360 2.712 20 10 EFCDHM COc1c([O-])c(CNc2ccc3c(c2)N(C)CCO3)ccc1[N+](=O)[O-] ZINC000278512166 474671985 /nfs/dbraw/zinc/67/19/85/474671985.db2.gz PZHQLXVNGKLTDF-UHFFFAOYSA-N -1 3 345.355 2.750 20 10 EFCDHM Cc1ccc(C(=O)N2CC[C@H](COc3ccccc3)C2)c([O-])c1O ZINC000273015987 474672563 /nfs/dbraw/zinc/67/25/63/474672563.db2.gz QRKOQLHAKIYJAS-AWEZNQCLSA-N -1 3 327.380 2.947 20 10 EFCDHM CCNC(=O)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273427663 474891722 /nfs/dbraw/zinc/89/17/22/474891722.db2.gz UTQSVHZGRNFWGO-GFCCVEGCSA-N -1 3 343.383 2.901 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc3c(c2)OCCO3)c1 ZINC000273446007 474902036 /nfs/dbraw/zinc/90/20/36/474902036.db2.gz ZVFCJMOWFLQGJZ-LBPRGKRZSA-N -1 3 343.379 2.801 20 10 EFCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000278900804 474904048 /nfs/dbraw/zinc/90/40/48/474904048.db2.gz QXVFPGPIUHBIAF-UHFFFAOYSA-N -1 3 334.328 2.938 20 10 EFCDHM COC[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000279122481 474961254 /nfs/dbraw/zinc/96/12/54/474961254.db2.gz UYEHLDMXSGULNY-GJZGRUSLSA-N -1 3 327.808 2.532 20 10 EFCDHM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000279163936 474962604 /nfs/dbraw/zinc/96/26/04/474962604.db2.gz BTPUJJDBUHORMP-UHFFFAOYSA-N -1 3 343.354 2.972 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](c2nncn2C)C(C)C)c1[O-] ZINC000285309188 474966891 /nfs/dbraw/zinc/96/68/91/474966891.db2.gz HYDJHQRAZNFWRX-CQSZACIVSA-N -1 3 336.823 2.864 20 10 EFCDHM C[C@H](NCC(=O)N(C)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273612507 474990295 /nfs/dbraw/zinc/99/02/95/474990295.db2.gz WNDAYIUYOGOVCR-LBPRGKRZSA-N -1 3 335.404 2.742 20 10 EFCDHM C[C@@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1nncn1C ZINC000273614682 474990735 /nfs/dbraw/zinc/99/07/35/474990735.db2.gz WZWRDVAEBKIUOB-DTWKUNHWSA-N -1 3 325.210 2.695 20 10 EFCDHM COC(=O)CCCN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000279792606 474990827 /nfs/dbraw/zinc/99/08/27/474990827.db2.gz ITUZMYAXOVLCKH-UHFFFAOYSA-N -1 3 343.379 2.693 20 10 EFCDHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(O)c1[O-] ZINC000279846449 474995596 /nfs/dbraw/zinc/99/55/96/474995596.db2.gz DUNCNCZGYUBMSO-AWEZNQCLSA-N -1 3 329.352 2.908 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000280329986 475020536 /nfs/dbraw/zinc/02/05/36/475020536.db2.gz HPHHCDXIDOAXGS-KRWDZBQOSA-N -1 3 344.386 2.782 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000273734743 475034222 /nfs/dbraw/zinc/03/42/22/475034222.db2.gz KZNRVPAEQUEVRK-GWCFXTLKSA-N -1 3 339.741 2.942 20 10 EFCDHM Cc1ccc(C(=O)NC2CCC(O)(c3ccccc3)CC2)c([O-])c1O ZINC000273775599 475051384 /nfs/dbraw/zinc/05/13/84/475051384.db2.gz VGMLYELRZXTQOG-UHFFFAOYSA-N -1 3 341.407 2.966 20 10 EFCDHM CC[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1ccc(F)cc1[O-] ZINC000286249398 475057463 /nfs/dbraw/zinc/05/74/63/475057463.db2.gz UMUAGMYORLIHLL-OAHLLOKOSA-N -1 3 332.379 2.570 20 10 EFCDHM COC(=O)C[C@@H]1CSCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000273807398 475060979 /nfs/dbraw/zinc/06/09/79/475060979.db2.gz YDAOMAUALXTNGV-GFCCVEGCSA-N -1 3 345.848 2.535 20 10 EFCDHM COc1ccccc1O[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000286361175 475062131 /nfs/dbraw/zinc/06/21/31/475062131.db2.gz CHNVHEKPLFQKAC-CYBMUJFWSA-N -1 3 343.379 2.790 20 10 EFCDHM COC(=O)[C@H](c1cc(OC)cc(OC)c1)N(C)Cc1ccccc1[O-] ZINC000268911274 475066741 /nfs/dbraw/zinc/06/67/41/475066741.db2.gz NISOWCUAPDOJPI-SFHVURJKSA-N -1 3 345.395 2.756 20 10 EFCDHM COC(=O)CN(Cc1ccncc1C)Cc1cc(Cl)ccc1[O-] ZINC000294781209 475082665 /nfs/dbraw/zinc/08/26/65/475082665.db2.gz KBVMFEDNSVGEPD-UHFFFAOYSA-N -1 3 334.803 2.924 20 10 EFCDHM Cc1ccc(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c([O-])c1O ZINC000292565694 475091816 /nfs/dbraw/zinc/09/18/16/475091816.db2.gz FNZIEOQVEZSAPY-OAHLLOKOSA-N -1 3 338.407 2.683 20 10 EFCDHM C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CN1Cc1ccccc1 ZINC000295164201 475110134 /nfs/dbraw/zinc/11/01/34/475110134.db2.gz QWKIQPUWHNRRSW-GXTWGEPZSA-N -1 3 344.386 2.630 20 10 EFCDHM CC(=O)c1cc(F)cc(CNC2(C(=O)N(C)C)CCCCC2)c1[O-] ZINC000295194438 475111359 /nfs/dbraw/zinc/11/13/59/475111359.db2.gz UGLBQCHDIQFKOR-UHFFFAOYSA-N -1 3 336.407 2.615 20 10 EFCDHM COCCc1ccnc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000287507357 475178079 /nfs/dbraw/zinc/17/80/79/475178079.db2.gz NZINSHJTHGWNLG-LBPRGKRZSA-N -1 3 330.384 2.936 20 10 EFCDHM Cc1cccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1O ZINC000292744111 475179597 /nfs/dbraw/zinc/17/95/97/475179597.db2.gz HUIFEQQPRFXOAZ-DGCLKSJQSA-N -1 3 330.350 2.732 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377708308 476537608 /nfs/dbraw/zinc/53/76/08/476537608.db2.gz XBVIMUQKQBAXKB-HIFRSBDPSA-N -1 3 342.233 2.535 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000378349109 476697247 /nfs/dbraw/zinc/69/72/47/476697247.db2.gz NHARUCAHVVKHOM-HUUCEWRRSA-N -1 3 345.270 2.730 20 10 EFCDHM COc1c([O-])c(CN2CC[C@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370528729 476856573 /nfs/dbraw/zinc/85/65/73/476856573.db2.gz PSYPPUWXHDVFDA-HNNXBMFYSA-N -1 3 344.367 2.962 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCOC2(CCOCC2)CC1 ZINC000370636591 476906968 /nfs/dbraw/zinc/90/69/68/476906968.db2.gz UEVSQGIIBHIUIU-UHFFFAOYSA-N -1 3 329.799 2.956 20 10 EFCDHM COc1cccc(C2=CCN(C(=O)c3ccc(C)c(O)c3[O-])C2)c1 ZINC000371676806 477438358 /nfs/dbraw/zinc/43/83/58/477438358.db2.gz PCOGFAPFDAGWJB-UHFFFAOYSA-N -1 3 325.364 2.954 20 10 EFCDHM [O-]c1ccc(Br)cc1CNCc1cnc2n1CCCC2 ZINC000376730843 477478552 /nfs/dbraw/zinc/47/85/52/477478552.db2.gz ZVXDBWILYKPZCM-UHFFFAOYSA-N -1 3 336.233 2.977 20 10 EFCDHM O=C(c1cccs1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000377044700 477615852 /nfs/dbraw/zinc/61/58/52/477615852.db2.gz HUAIVTVYVWNPFD-UHFFFAOYSA-N -1 3 331.393 2.894 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000372679345 477809336 /nfs/dbraw/zinc/80/93/36/477809336.db2.gz BSQMKDRSRSBPNN-ZDUSSCGKSA-N -1 3 331.391 2.847 20 10 EFCDHM COc1cccc([C@@H](CNC(=O)c2ccc(C)c(O)c2[O-])OC)c1 ZINC000529578609 479212625 /nfs/dbraw/zinc/21/26/25/479212625.db2.gz SEDZZMGHENRJDL-OAHLLOKOSA-N -1 3 331.368 2.532 20 10 EFCDHM CCOC[C@@H]1CN(Cc2cc(Br)cc(C)c2[O-])CCO1 ZINC000529667180 479240698 /nfs/dbraw/zinc/24/06/98/479240698.db2.gz RWWBLRLSGZTHRF-AWEZNQCLSA-N -1 3 344.249 2.700 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000298077670 526771140 /nfs/dbraw/zinc/77/11/40/526771140.db2.gz JHORVWCUFIJJQN-BXUZGUMPSA-N -1 3 333.409 2.888 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000298077683 526772304 /nfs/dbraw/zinc/77/23/04/526772304.db2.gz JHORVWCUFIJJQN-SMDDNHRTSA-N -1 3 333.409 2.888 20 10 EFCDHM CCOCCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175843651 528591068 /nfs/dbraw/zinc/59/10/68/528591068.db2.gz BDZKDGKAMNLAEY-UHFFFAOYSA-N -1 3 330.222 2.930 20 10 EFCDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)CCO3)cc1 ZINC000756333958 575719174 /nfs/dbraw/zinc/71/91/74/575719174.db2.gz VNDUNORUKWSCJC-KRWDZBQOSA-N -1 3 327.380 2.936 20 10 EFCDHM CC(C)NC(=O)CN[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756364096 575723713 /nfs/dbraw/zinc/72/37/13/575723713.db2.gz UGHDVRARPYMUQV-MRVPVSSYSA-N -1 3 349.656 2.983 20 10 EFCDHM COCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000756378821 575726434 /nfs/dbraw/zinc/72/64/34/575726434.db2.gz GMHVGRAJXUFMSB-LBPRGKRZSA-N -1 3 332.375 2.967 20 10 EFCDHM C[C@@H](NCc1cccnc1-n1cccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756393987 575729915 /nfs/dbraw/zinc/72/99/15/575729915.db2.gz VBJCGUWDVNVBBU-GFCCVEGCSA-N -1 3 339.355 2.732 20 10 EFCDHM CCOc1ncccc1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756393955 575730021 /nfs/dbraw/zinc/73/00/21/575730021.db2.gz UNCANPQGMGPTDY-GFCCVEGCSA-N -1 3 330.384 2.823 20 10 EFCDHM C[C@@H](N[C@H]1CCCCNC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756395989 575730271 /nfs/dbraw/zinc/73/02/71/575730271.db2.gz MRTXQXYIURFDNO-PELKAZGASA-N -1 3 345.212 2.613 20 10 EFCDHM O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1cc([O-])cs1 ZINC000756410403 575733348 /nfs/dbraw/zinc/73/33/48/575733348.db2.gz LGNHOPAJDLPIKL-NSHDSACASA-N -1 3 339.319 2.694 20 10 EFCDHM COCCOc1ncccc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756430494 575738233 /nfs/dbraw/zinc/73/82/33/575738233.db2.gz IZWKVSYVULYINQ-NSHDSACASA-N -1 3 338.354 2.941 20 10 EFCDHM C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756474010 575744938 /nfs/dbraw/zinc/74/49/38/575744938.db2.gz GFQXIEFTLBKMDC-STQMWFEESA-N -1 3 341.367 2.757 20 10 EFCDHM C[C@@H](N[C@H]1CCCN(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756637877 575771567 /nfs/dbraw/zinc/77/15/67/575771567.db2.gz KLIVIHCQXPHRFG-PELKAZGASA-N -1 3 345.212 2.565 20 10 EFCDHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756664186 575774181 /nfs/dbraw/zinc/77/41/81/575774181.db2.gz MFDGGJRGXQPCLA-VIFPVBQESA-N -1 3 325.359 2.826 20 10 EFCDHM CC(C)[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])C(=O)N1CCCC1 ZINC000756709340 575779672 /nfs/dbraw/zinc/77/96/72/575779672.db2.gz LLSAAHOLPKMQOG-NHYWBVRUSA-N -1 3 326.387 2.968 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CO)c2ccccc2OC)c1 ZINC000756711095 575779797 /nfs/dbraw/zinc/77/97/97/575779797.db2.gz IOJRWNZHJDQIGV-LRDDRELGSA-N -1 3 345.395 2.572 20 10 EFCDHM C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756737847 575782327 /nfs/dbraw/zinc/78/23/27/575782327.db2.gz CJWNILYGVLVYMP-QVQLBTGDSA-N -1 3 334.397 2.889 20 10 EFCDHM C[C@H](N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756837959 575790540 /nfs/dbraw/zinc/79/05/40/575790540.db2.gz KHVIEAGBDCBFPC-JRPNMDOOSA-N -1 3 348.834 2.624 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc3c2oc(=O)n3C)c1 ZINC000756854417 575793343 /nfs/dbraw/zinc/79/33/43/575793343.db2.gz FCLJOSIBIUGDMU-SNVBAGLBSA-N -1 3 342.351 2.797 20 10 EFCDHM COc1ccc(OC(F)F)c(CNC(=O)c2cc([O-])cs2)c1 ZINC000757423524 575839171 /nfs/dbraw/zinc/83/91/71/575839171.db2.gz DXUBEGLVTIDTFS-UHFFFAOYSA-N -1 3 329.324 2.994 20 10 EFCDHM COc1ccc(N[C@@H](C)c2cc(F)ccc2[O-])cc1-n1cnnn1 ZINC000757610759 575844941 /nfs/dbraw/zinc/84/49/41/575844941.db2.gz HEYXGVVFMXSYNR-JTQLQIEISA-N -1 3 329.335 2.689 20 10 EFCDHM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000757642356 575847082 /nfs/dbraw/zinc/84/70/82/575847082.db2.gz BJWWSSNEZUOZNB-AWEZNQCLSA-N -1 3 335.400 2.648 20 10 EFCDHM COC[C@@](C)(CC(=O)OC)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000757927537 575855925 /nfs/dbraw/zinc/85/59/25/575855925.db2.gz YIFXPSNTPWXSIJ-CQSZACIVSA-N -1 3 336.215 2.757 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnco1 ZINC000759384889 575890628 /nfs/dbraw/zinc/89/06/28/575890628.db2.gz UBBHSSXOJIFQEN-UHFFFAOYSA-N -1 3 325.162 2.805 20 10 EFCDHM CCOC(=O)[C@H]1CSCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000761191833 576127452 /nfs/dbraw/zinc/12/74/52/576127452.db2.gz XKDUYBBKZYLLKU-GFCCVEGCSA-N -1 3 345.848 2.535 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCC(F)(F)C1 ZINC000761421831 576157473 /nfs/dbraw/zinc/15/74/73/576157473.db2.gz VNFCWEHRSALLSS-NSHDSACASA-N -1 3 344.745 2.998 20 10 EFCDHM O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cc([O-])cs1 ZINC000762374900 576295833 /nfs/dbraw/zinc/29/58/33/576295833.db2.gz YYWHSKFVVOEPEZ-LBPRGKRZSA-N -1 3 334.372 2.518 20 10 EFCDHM O=C(NCCOc1ncc(Cl)cc1Cl)c1cc([O-])cs1 ZINC000762578933 576314582 /nfs/dbraw/zinc/31/45/82/576314582.db2.gz NQXFJQAVUVYYBT-UHFFFAOYSA-N -1 3 333.196 2.964 20 10 EFCDHM Cc1cc(N(C)C)nc(NCc2cccc(Br)c2[O-])n1 ZINC000764933375 576525807 /nfs/dbraw/zinc/52/58/07/576525807.db2.gz CSHKULISGFRNOG-UHFFFAOYSA-N -1 3 337.221 2.931 20 10 EFCDHM Cc1ccnc(N2CCN(Cc3c([O-])ccc4ccncc43)CC2)c1 ZINC000765139486 577011438 /nfs/dbraw/zinc/01/14/38/577011438.db2.gz BDWIMDJNKNPMGX-UHFFFAOYSA-N -1 3 334.423 2.966 20 10 EFCDHM COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000765414511 577039482 /nfs/dbraw/zinc/03/94/82/577039482.db2.gz SDSFSHBLPNAOFE-CYBMUJFWSA-N -1 3 333.409 2.748 20 10 EFCDHM COc1cc(COC(=O)c2cc([O-])cs2)c([N+](=O)[O-])cc1F ZINC000766205227 577121029 /nfs/dbraw/zinc/12/10/29/577121029.db2.gz XLGPIBYUPYJVTC-UHFFFAOYSA-N -1 3 327.289 2.867 20 10 EFCDHM O=C(COC(=O)c1cc([O-])cs1)COc1ccc(Cl)cc1 ZINC000767343664 577205391 /nfs/dbraw/zinc/20/53/91/577205391.db2.gz BKIBIOWVZGHCFO-UHFFFAOYSA-N -1 3 326.757 2.912 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000768162758 577258835 /nfs/dbraw/zinc/25/88/35/577258835.db2.gz HSIBWCUBBZYJST-UHFFFAOYSA-N -1 3 343.383 2.631 20 10 EFCDHM CCCCN(Cc1ccc(OCC)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000768169036 577259076 /nfs/dbraw/zinc/25/90/76/577259076.db2.gz CCOOEQJIHXSVNK-HNNXBMFYSA-N -1 3 341.473 2.580 20 10 EFCDHM COc1cccc([O-])c1CN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000768352609 577268056 /nfs/dbraw/zinc/26/80/56/577268056.db2.gz PBOKXMGBQVYSOB-ZDUSSCGKSA-N -1 3 336.432 2.890 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@@H](c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768441783 577273803 /nfs/dbraw/zinc/27/38/03/577273803.db2.gz MVIZDFVADKCLLD-PKOBYXMFSA-N -1 3 345.370 2.531 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@@H](c3cccc(F)c3)C1)[C@H](O)CO2 ZINC000768452084 577275037 /nfs/dbraw/zinc/27/50/37/577275037.db2.gz OHEBIKREPHSTDS-IEBWSBKVSA-N -1 3 345.370 2.531 20 10 EFCDHM [O-]c1cc2c(cc1CN1Cc3ccccc3C(F)(F)C1)[C@H](O)CO2 ZINC000768463798 577276003 /nfs/dbraw/zinc/27/60/03/577276003.db2.gz XDKFAQMUEDOVQT-MRXNPFEDSA-N -1 3 333.334 2.926 20 10 EFCDHM [O-]c1cc2c(cc1CNC1(c3nccs3)CCCC1)[C@H](O)CO2 ZINC000768465639 577276317 /nfs/dbraw/zinc/27/63/17/577276317.db2.gz OAHDAIJCVNIANY-CQSZACIVSA-N -1 3 332.425 2.834 20 10 EFCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@H]2CCCC[C@@H]21 ZINC000769415873 577361016 /nfs/dbraw/zinc/36/10/16/577361016.db2.gz ZZDDRBVVWHHTKA-ZFWWWQNUSA-N -1 3 329.849 2.587 20 10 EFCDHM CN(Cc1c([O-])cccc1Cl)CC(C)(C)CN1CCOCC1 ZINC000769513606 577368943 /nfs/dbraw/zinc/36/89/43/577368943.db2.gz CXLMSNOFEOIQTQ-UHFFFAOYSA-N -1 3 326.868 2.836 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H]2NC(=O)c3cc(Cl)ccc3N2)c1 ZINC000726796819 577386902 /nfs/dbraw/zinc/38/69/02/577386902.db2.gz ILVFGRPDLLRIDE-AWEZNQCLSA-N -1 3 332.743 2.686 20 10 EFCDHM CCC[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1CCOC ZINC000770283694 577409807 /nfs/dbraw/zinc/40/98/07/577409807.db2.gz KNONUVNZLOCXJS-INIZCTEOSA-N -1 3 326.868 2.978 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccccc2N2CCOC2=O)c([O-])c1O ZINC000770484155 577420913 /nfs/dbraw/zinc/42/09/13/577420913.db2.gz PVWGOABKASPQSM-UHFFFAOYSA-N -1 3 328.324 2.615 20 10 EFCDHM CCCCNC(=O)C1(NC(=O)c2ccc(C)c(O)c2[O-])CCCCC1 ZINC000770486123 577421000 /nfs/dbraw/zinc/42/10/00/577421000.db2.gz MPBAXMCGFFVJNF-UHFFFAOYSA-N -1 3 348.443 2.755 20 10 EFCDHM COc1ccc(NC(C)=O)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770487097 577421137 /nfs/dbraw/zinc/42/11/37/577421137.db2.gz OOBBMOZQPTXAGN-UHFFFAOYSA-N -1 3 330.340 2.626 20 10 EFCDHM Cc1ccc(C(=O)Nc2cccc(N3CCCNC3=O)c2)c([O-])c1O ZINC000770498414 577421837 /nfs/dbraw/zinc/42/18/37/577421837.db2.gz AGXDOFWLBCXTPY-UHFFFAOYSA-N -1 3 341.367 2.578 20 10 EFCDHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000770506175 577422130 /nfs/dbraw/zinc/42/21/30/577422130.db2.gz WSFPCPLRSQTDLN-XJKSGUPXSA-N -1 3 336.432 2.506 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@](C)(O)C(C)C ZINC000771408244 581208879 /nfs/dbraw/zinc/20/88/79/581208879.db2.gz RFADLICFRFRAAS-HNNXBMFYSA-N -1 3 344.249 2.910 20 10 EFCDHM CC[C@H](OC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771053679 581169213 /nfs/dbraw/zinc/16/92/13/581169213.db2.gz PPCKZHAYFIRINW-HOCLYGCPSA-N -1 3 340.851 2.551 20 10 EFCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772931929 581381931 /nfs/dbraw/zinc/38/19/31/581381931.db2.gz JFFATGQCJNFZNX-WDEREUQCSA-N -1 3 340.445 2.924 20 10 EFCDHM CC(C)(C)NC(=O)N1CCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000774556839 581494075 /nfs/dbraw/zinc/49/40/75/581494075.db2.gz GMYHFXORIKUXSB-UHFFFAOYSA-N -1 3 342.443 2.566 20 10 EFCDHM COc1c([O-])c(CN2CCc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000774841918 581502031 /nfs/dbraw/zinc/50/20/31/581502031.db2.gz YSKCHLOVBXSWNE-UHFFFAOYSA-N -1 3 330.340 2.573 20 10 EFCDHM CCN(CC)c1ccc(CNc2ncccc2-c2nnn[n-]2)cc1F ZINC000736531936 598556328 /nfs/dbraw/zinc/55/63/28/598556328.db2.gz MYCLUZMJZHQYPR-UHFFFAOYSA-N -1 3 341.394 2.859 20 10 EFCDHM CCN(CC)c1ccc(CNc2ncccc2-c2nn[n-]n2)cc1F ZINC000736531936 598556330 /nfs/dbraw/zinc/55/63/30/598556330.db2.gz MYCLUZMJZHQYPR-UHFFFAOYSA-N -1 3 341.394 2.859 20 10 EFCDHM O=C([O-])c1ccoc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000740249436 600143289 /nfs/dbraw/zinc/14/32/89/600143289.db2.gz VTECESHCYIZPFD-AWEZNQCLSA-N -1 3 331.368 2.865 20 10 EFCDHM C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000393047920 600313487 /nfs/dbraw/zinc/31/34/87/600313487.db2.gz KMLHDBCLZAGOMR-VEXXYJEVSA-N -1 3 345.399 2.756 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC000831353711 601891742 /nfs/dbraw/zinc/89/17/42/601891742.db2.gz PCVGMMMWUUFCFQ-IBGZPJMESA-N -1 3 343.379 2.629 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC000831353711 601891744 /nfs/dbraw/zinc/89/17/44/601891744.db2.gz PCVGMMMWUUFCFQ-IBGZPJMESA-N -1 3 343.379 2.629 20 10 EFCDHM CCOc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000825638867 607631643 /nfs/dbraw/zinc/63/16/43/607631643.db2.gz QFSGZCUMOFLDKE-UHFFFAOYSA-N -1 3 339.399 2.910 20 10 EFCDHM CCOc1ccc(N(C)Cc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000825638867 607631644 /nfs/dbraw/zinc/63/16/44/607631644.db2.gz QFSGZCUMOFLDKE-UHFFFAOYSA-N -1 3 339.399 2.910 20 10 EFCDHM CN(C(=O)C=Cc1cccnc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569674 606962746 /nfs/dbraw/zinc/96/27/46/606962746.db2.gz RQSGXDRTBPIKLA-DAXSKMNVSA-N -1 3 340.774 2.591 20 10 EFCDHM CN(C(=O)C=Cc1cccnc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569674 606962747 /nfs/dbraw/zinc/96/27/47/606962747.db2.gz RQSGXDRTBPIKLA-DAXSKMNVSA-N -1 3 340.774 2.591 20 10 EFCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc3c(c2)CCCN3C)n1 ZINC000826276794 608280428 /nfs/dbraw/zinc/28/04/28/608280428.db2.gz XMNUHMZADWQZTC-UHFFFAOYSA-N -1 3 335.415 2.565 20 10 EFCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc3c(c2)CCCN3C)n1 ZINC000826276794 608280429 /nfs/dbraw/zinc/28/04/29/608280429.db2.gz XMNUHMZADWQZTC-UHFFFAOYSA-N -1 3 335.415 2.565 20 10 EFCDHM Clc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000826351633 608296293 /nfs/dbraw/zinc/29/62/93/608296293.db2.gz TZOIGHUATKGBOH-UHFFFAOYSA-N -1 3 339.790 2.604 20 10 EFCDHM Clc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000826351633 608296295 /nfs/dbraw/zinc/29/62/95/608296295.db2.gz TZOIGHUATKGBOH-UHFFFAOYSA-N -1 3 339.790 2.604 20 10 EFCDHM Cc1ccnc(NCc2ccc(N3CCCC3)cc2)c1-c1nnn[n-]1 ZINC000826314252 609533146 /nfs/dbraw/zinc/53/31/46/609533146.db2.gz NGCALKXMJGTJTI-UHFFFAOYSA-N -1 3 335.415 2.782 20 10 EFCDHM Cc1ccnc(NCc2ccc(N3CCCC3)cc2)c1-c1nn[n-]n1 ZINC000826314252 609533148 /nfs/dbraw/zinc/53/31/48/609533148.db2.gz NGCALKXMJGTJTI-UHFFFAOYSA-N -1 3 335.415 2.782 20 10 EFCDHM CC(C)CN(CC(N)=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708147378 1259678804 /nfs/dbraw/zinc/67/88/04/1259678804.db2.gz ZSKYDCGXJRGVNM-UHFFFAOYSA-N -1 3 349.656 2.751 20 10 EFCDHM COC(=O)CN(CCc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC000734149027 1266878926 /nfs/dbraw/zinc/87/89/26/1266878926.db2.gz UOOZKUUFKHSNSY-UHFFFAOYSA-N -1 3 334.803 2.658 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)c(C)cc1[O-])C1CCOCC1 ZINC000824894989 1278331204 /nfs/dbraw/zinc/33/12/04/1278331204.db2.gz NNOQBLXEZAWKEV-UHFFFAOYSA-N -1 3 327.808 2.508 20 10 EFCDHM O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1c([O-])cccc1Cl ZINC001273107833 1267772276 /nfs/dbraw/zinc/77/22/76/1267772276.db2.gz GICWFYVTPGMLBW-INIZCTEOSA-N -1 3 344.789 2.878 20 10 EFCDHM O=C(NCC(F)F)[C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000825068376 1278404030 /nfs/dbraw/zinc/40/40/30/1278404030.db2.gz OGGPZAHSQNTTPT-LBPRGKRZSA-N -1 3 332.778 2.781 20 10 EFCDHM CC(C)CN1CC[C@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273378870 1269276642 /nfs/dbraw/zinc/27/66/42/1269276642.db2.gz QKIDDKVEMGAMBP-GOSISDBHSA-N -1 3 338.398 2.893 20 10 EFCDHM CCOC(=O)[C@@H](CC1CC1)NCc1ccc(Br)cc1[O-] ZINC000825490122 1278566342 /nfs/dbraw/zinc/56/63/42/1278566342.db2.gz UTEMQVZLHMXWQT-CYBMUJFWSA-N -1 3 342.233 2.976 20 10 EFCDHM CCCC[C@@H](NCc1ccc(Br)cc1[O-])C(=O)OC ZINC000825519412 1278580885 /nfs/dbraw/zinc/58/08/85/1278580885.db2.gz FLJFJJXBTZZRKZ-GFCCVEGCSA-N -1 3 330.222 2.976 20 10 EFCDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521949 1278581944 /nfs/dbraw/zinc/58/19/44/1278581944.db2.gz HFCXBYOCJRELRE-JSGCOSHPSA-N -1 3 344.386 2.802 20 10 EFCDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521955 1278582426 /nfs/dbraw/zinc/58/24/26/1278582426.db2.gz HFCXBYOCJRELRE-TZMCWYRMSA-N -1 3 344.386 2.802 20 10 EFCDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521952 1278582692 /nfs/dbraw/zinc/58/26/92/1278582692.db2.gz HFCXBYOCJRELRE-OCCSQVGLSA-N -1 3 344.386 2.802 20 10 EFCDHM C[C@@H](NCc1nnc2n1CCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000788509208 1276204803 /nfs/dbraw/zinc/20/48/03/1276204803.db2.gz ZSQYKQQYFSBOJQ-SECBINFHSA-N -1 3 326.322 2.800 20 10 EFCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788685747 1276259126 /nfs/dbraw/zinc/25/91/26/1276259126.db2.gz KVZOSOMWEBLDGQ-ZANVPECISA-N -1 3 329.322 2.529 20 10 EFCDHM CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[O-])cc1)C1CC1 ZINC000819014433 1276589845 /nfs/dbraw/zinc/58/98/45/1276589845.db2.gz LAAJVNUDFRQBAQ-UHFFFAOYSA-N -1 3 326.352 2.865 20 10 EFCDHM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1O ZINC000819365582 1276757308 /nfs/dbraw/zinc/75/73/08/1276757308.db2.gz RKIHXTICWIVQDH-UHFFFAOYSA-N -1 3 331.324 2.541 20 10 EFCDHM COc1ccc(N2CC[C@@H](CNC(=O)c3ccccc3[O-])C2)cc1 ZINC000819583769 1276827665 /nfs/dbraw/zinc/82/76/65/1276827665.db2.gz VYORFQRTUQXOFH-AWEZNQCLSA-N -1 3 326.396 2.657 20 10 EFCDHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000789956845 1277121298 /nfs/dbraw/zinc/12/12/98/1277121298.db2.gz IJZXEOCDCYQLEZ-AWEZNQCLSA-N -1 3 344.386 2.631 20 10 EFCDHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000790325002 1277426762 /nfs/dbraw/zinc/42/67/62/1277426762.db2.gz GHEWNPMGEUKOGX-LSDHHAIUSA-N -1 3 342.443 2.739 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000790415714 1277528102 /nfs/dbraw/zinc/52/81/02/1277528102.db2.gz IVSFBGKAWKMVJH-UHFFFAOYSA-N -1 3 348.424 2.738 20 10 EFCDHM O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc(O)c1[O-] ZINC000790481501 1277592924 /nfs/dbraw/zinc/59/29/24/1277592924.db2.gz BSDQQRYJUKYXKY-UHFFFAOYSA-N -1 3 349.770 2.843 20 10 EFCDHM O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc(O)c1[O-] ZINC000790527120 1277631035 /nfs/dbraw/zinc/63/10/35/1277631035.db2.gz CTNJCVHEZCLMDE-UHFFFAOYSA-N -1 3 327.365 2.825 20 10 EFCDHM CC(=O)OCCCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790925768 1277848918 /nfs/dbraw/zinc/84/89/18/1277848918.db2.gz DPWYZUNRKZGMRW-UHFFFAOYSA-N -1 3 329.352 2.846 20 10 EFCDHM CCOC(=O)CC1(CNC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000790903879 1277859514 /nfs/dbraw/zinc/85/95/14/1277859514.db2.gz BWOUEOQYRRKNBF-UHFFFAOYSA-N -1 3 335.400 2.731 20 10 EFCDHM O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000790915530 1277866932 /nfs/dbraw/zinc/86/69/32/1277866932.db2.gz CRFRSWXPQZCTDK-GFCCVEGCSA-N -1 3 341.285 2.580 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC001144293742 1279378233 /nfs/dbraw/zinc/37/82/33/1279378233.db2.gz SHNQXIYLXFLYCR-KOLCDFICSA-N -1 3 330.197 2.762 20 10 EFCDHM C[C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])[C@H]1CO ZINC001144298322 1279384544 /nfs/dbraw/zinc/38/45/44/1279384544.db2.gz BKDZWMAUOHULIF-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])CC[C@H]1O ZINC001144299274 1279386161 /nfs/dbraw/zinc/38/61/61/1279386161.db2.gz ULZFJMGESFAELT-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)c(F)cc2[O-])CCC[C@H]1O ZINC001144298843 1279387537 /nfs/dbraw/zinc/38/75/37/1279387537.db2.gz LANOXCYYKROFLS-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)c(F)cc2[O-])CCC[C@H]1O ZINC001144298845 1279387829 /nfs/dbraw/zinc/38/78/29/1279387829.db2.gz LANOXCYYKROFLS-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM CCOC(=O)[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306395 1279403850 /nfs/dbraw/zinc/40/38/50/1279403850.db2.gz ADLIOSWRUAAPOG-SECBINFHSA-N -1 3 346.196 2.679 20 10 EFCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793363919 1279571286 /nfs/dbraw/zinc/57/12/86/1279571286.db2.gz YXRDFZOBRCKLGP-NHYWBVRUSA-N -1 3 342.233 2.535 20 10 EFCDHM Oc1ccc(Br)cc1CNc1ccccc1-c1nn[n-]n1 ZINC001171177888 1279584242 /nfs/dbraw/zinc/58/42/42/1279584242.db2.gz LZRYKBKIAVEJCO-UHFFFAOYSA-N -1 3 346.188 2.947 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001148214454 1281454476 /nfs/dbraw/zinc/45/44/76/1281454476.db2.gz SMFGJYQYHPOMMQ-UKPHBRMFSA-N -1 3 331.412 2.765 20 10 EFCDHM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1cccc(O)c1[O-] ZINC001148219103 1281457394 /nfs/dbraw/zinc/45/73/94/1281457394.db2.gz SNEZVMLNOBATKT-UHFFFAOYSA-N -1 3 329.230 2.954 20 10 EFCDHM COc1cccc2c1SC[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC001148225059 1281459910 /nfs/dbraw/zinc/45/99/10/1281459910.db2.gz CUSFVPKVTJIZKG-LLVKDONJSA-N -1 3 331.393 2.553 20 10 EFCDHM O=C(NCc1coc(-c2ccc(F)cc2)n1)c1cccc(O)c1[O-] ZINC001148224616 1281460677 /nfs/dbraw/zinc/46/06/77/1281460677.db2.gz QRYGIJRIVZJNIK-UHFFFAOYSA-N -1 3 328.299 2.822 20 10 EFCDHM COc1cc(OC)c(NC(=O)c2cc(O)c([O-])c(O)c2)cc1Cl ZINC001148580484 1281659572 /nfs/dbraw/zinc/65/95/72/1281659572.db2.gz GMOYNGURACJHNW-UHFFFAOYSA-N -1 3 339.731 2.726 20 10 EFCDHM O=C(Nc1cnnc2ccc(Cl)cc21)c1cc(O)c([O-])c(O)c1 ZINC001148582852 1281660856 /nfs/dbraw/zinc/66/08/56/1281660856.db2.gz NOLZDGSWMZQSAJ-UHFFFAOYSA-N -1 3 331.715 2.652 20 10 EFCDHM Cc1cc(C)cc(OC[C@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586458 1281663050 /nfs/dbraw/zinc/66/30/50/1281663050.db2.gz OXFZELXQXJULJS-LBPRGKRZSA-N -1 3 331.368 2.618 20 10 EFCDHM O=C(NCC1(Cc2ccccc2F)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148591111 1281664104 /nfs/dbraw/zinc/66/41/04/1281664104.db2.gz UVUIJKDMSIPVPQ-UHFFFAOYSA-N -1 3 331.343 2.695 20 10 EFCDHM Cc1cc(Br)c([O-])c(CN(C)C[C@@H](O)C(F)(F)F)c1 ZINC000809751880 1282455764 /nfs/dbraw/zinc/45/57/64/1282455764.db2.gz WPEBNHNBRKKEDO-SNVBAGLBSA-N -1 3 342.155 2.818 20 10 EFCDHM CNC(=O)OC[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000809779166 1282479162 /nfs/dbraw/zinc/47/91/62/1282479162.db2.gz FTJISIZZIHCZBF-JTQLQIEISA-N -1 3 330.787 2.895 20 10 EFCDHM COc1ccc(CNCc2c([O-])ccc(Cl)c2F)c(OC)n1 ZINC000810177175 1283008744 /nfs/dbraw/zinc/00/87/44/1283008744.db2.gz MPLQORKCUYDMCI-UHFFFAOYSA-N -1 3 326.755 2.887 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(F)c(NC(N)=O)c2)c1 ZINC000815631880 1287648973 /nfs/dbraw/zinc/64/89/73/1287648973.db2.gz VSQJXOSEPPASDH-VIFPVBQESA-N -1 3 347.346 2.982 20 10 EFCDHM COC(=O)c1coc(=O)c(NCc2cc3ccccc3cc2[O-])c1 ZINC001171404728 1283588355 /nfs/dbraw/zinc/58/83/55/1283588355.db2.gz KTEZLKZQSYBGAY-UHFFFAOYSA-N -1 3 325.320 2.897 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3C[C@H](C)S(=O)(=O)[C@@H](C)C3)c2c1 ZINC000811796729 1284622603 /nfs/dbraw/zinc/62/26/03/1284622603.db2.gz QLGQHELAYQZLFO-STQMWFEESA-N -1 3 349.452 2.561 20 10 EFCDHM Cc1cnc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000813811240 1286136752 /nfs/dbraw/zinc/13/67/52/1286136752.db2.gz VGTWXFLQQUMFDZ-AWEZNQCLSA-N -1 3 349.818 2.736 20 10 EFCDHM CN(Cc1cc(Br)ccc1[O-])[C@@H]1CC(C)(C)OC1=O ZINC000814179912 1286362021 /nfs/dbraw/zinc/36/20/21/1286362021.db2.gz JGHHVUCZZDLHEA-LLVKDONJSA-N -1 3 328.206 2.681 20 10 EFCDHM COC(=O)[C@H](COC(C)C)N(C)Cc1ccc2ccccc2c1[O-] ZINC000816521647 1288200492 /nfs/dbraw/zinc/20/04/92/1288200492.db2.gz VZBFSZUBOACCKJ-KRWDZBQOSA-N -1 3 331.412 2.944 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCOC2(CCOCC2)CC1 ZINC000816570890 1288211919 /nfs/dbraw/zinc/21/19/19/1288211919.db2.gz KJFRZRWQOWXODQ-UHFFFAOYSA-N -1 3 329.799 2.956 20 10 EFCDHM CN(C)C(=O)OC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816655176 1288230742 /nfs/dbraw/zinc/23/07/42/1288230742.db2.gz VCZMOQWRIPXQBI-UHFFFAOYSA-N -1 3 330.787 2.847 20 10 EFCDHM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC000817624762 1288672949 /nfs/dbraw/zinc/67/29/49/1288672949.db2.gz DOIBZBZCHBOQGQ-NWDGAFQWSA-N -1 3 335.400 2.680 20 10 EFCDHM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000817642888 1288697372 /nfs/dbraw/zinc/69/73/72/1288697372.db2.gz DVDVICLQPLCZEW-VXGBXAGGSA-N -1 3 335.400 2.538 20 10 EFCDHM C[C@@](O)(C(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(F)(F)F ZINC001180492011 1289537829 /nfs/dbraw/zinc/53/78/29/1289537829.db2.gz UWYNKPKFQJWVCA-CYBMUJFWSA-N -1 3 348.708 2.523 20 10 EFCDHM CCCN1CCCN(Cc2ccc(Br)cc2[O-])CC1=O ZINC000825667516 1289688716 /nfs/dbraw/zinc/68/87/16/1289688716.db2.gz ZQHNTNIUUHAWDO-UHFFFAOYSA-N -1 3 341.249 2.599 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCCC[C@H]1O ZINC001181098751 1289706510 /nfs/dbraw/zinc/70/65/10/1289706510.db2.gz XQIVHPLPBFWRRE-GXTWGEPZSA-N -1 3 334.803 2.761 20 10 EFCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000825754074 1290416651 /nfs/dbraw/zinc/41/66/51/1290416651.db2.gz ZGKKEJYBFYQZKD-IAQYHMDHSA-N -1 3 342.233 2.535 20 10 EFCDHM COc1cc(O)ccc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185135797 1290601802 /nfs/dbraw/zinc/60/18/02/1290601802.db2.gz WZPJBNXHICKJHD-UHFFFAOYSA-N -1 3 329.324 2.621 20 10 EFCDHM CN(Cc1ccon1)Cc1ccc(I)cc1[O-] ZINC001232979877 1312824305 /nfs/dbraw/zinc/82/43/05/1312824305.db2.gz JLODYWZQRKZYSD-UHFFFAOYSA-N -1 3 344.152 2.617 20 10 EFCDHM CC[C@H]1COCCN1Cc1ccc(I)cc1[O-] ZINC001232978250 1312824399 /nfs/dbraw/zinc/82/43/99/1312824399.db2.gz DBAFHAOGTAWYMG-LBPRGKRZSA-N -1 3 347.196 2.608 20 10 EFCDHM CC(C)OC1CN(Cc2ccc(I)cc2[O-])C1 ZINC001232978152 1312824608 /nfs/dbraw/zinc/82/46/08/1312824608.db2.gz YLQRLDNZNKCKMN-UHFFFAOYSA-N -1 3 347.196 2.606 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CCN(C2CC2)CC1 ZINC001233027066 1312835272 /nfs/dbraw/zinc/83/52/72/1312835272.db2.gz LDOKCKFVVPUGGL-UHFFFAOYSA-N -1 3 329.213 2.574 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@@]2(CCOC2)C1 ZINC001233028806 1312836667 /nfs/dbraw/zinc/83/66/67/1312836667.db2.gz VPHCRCSJVGEABX-CQSZACIVSA-N -1 3 330.197 2.906 20 10 EFCDHM COc1cccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC001203663731 1291187007 /nfs/dbraw/zinc/18/70/07/1291187007.db2.gz GBKQIDKCLZXSNM-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM C[C@@H](c1ccccc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093908192 1291239635 /nfs/dbraw/zinc/23/96/35/1291239635.db2.gz PJMNSDDWSWSOOY-LBPRGKRZSA-N -1 3 348.424 2.597 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC(N2CCCC2)C1 ZINC001233032282 1312837630 /nfs/dbraw/zinc/83/76/30/1312837630.db2.gz XUNLONAOKVPERG-UHFFFAOYSA-N -1 3 329.213 2.574 20 10 EFCDHM COC(=O)c1coc(CNCc2cccc(Br)c2[O-])c1 ZINC000775146837 1291254159 /nfs/dbraw/zinc/25/41/59/1291254159.db2.gz QZNFIMOUSRVLDN-UHFFFAOYSA-N -1 3 340.173 2.824 20 10 EFCDHM COc1cccc(O[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079966 1312850486 /nfs/dbraw/zinc/85/04/86/1312850486.db2.gz OKJYQIIBSOKTBB-LBPRGKRZSA-N -1 3 336.338 2.727 20 10 EFCDHM Cc1nccnc1O[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079614 1312850739 /nfs/dbraw/zinc/85/07/39/1312850739.db2.gz HDPCBMCZZKQEFT-ZDUSSCGKSA-N -1 3 335.354 2.812 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)[C@@H](C)C2)cc1Br ZINC001233134684 1312863612 /nfs/dbraw/zinc/86/36/12/1312863612.db2.gz BIISGYCXBXFQJC-JTQLQIEISA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1Br ZINC001233136776 1312864050 /nfs/dbraw/zinc/86/40/50/1312864050.db2.gz CCAHTJHRPYOXAX-PEXQALLHSA-N -1 3 330.197 2.953 20 10 EFCDHM CC[C@@H]1COCCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001233140393 1312864780 /nfs/dbraw/zinc/86/47/80/1312864780.db2.gz HYXIVMSWQFCSMQ-LLVKDONJSA-N -1 3 330.222 2.774 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2ccon2)cc1Br ZINC001233140711 1312865221 /nfs/dbraw/zinc/86/52/21/1312865221.db2.gz SAZRBMYIVBZKBJ-UHFFFAOYSA-N -1 3 327.178 2.783 20 10 EFCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H]2CO3)cc1Br ZINC001233142943 1312866190 /nfs/dbraw/zinc/86/61/90/1312866190.db2.gz RXJMTWABAOMFQA-GHMZBOCLSA-N -1 3 328.206 2.527 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001233332447 1312904911 /nfs/dbraw/zinc/90/49/11/1312904911.db2.gz LMYAGULFTKTPKX-YPMHNXCESA-N -1 3 343.267 2.898 20 10 EFCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332833 1312904963 /nfs/dbraw/zinc/90/49/63/1312904963.db2.gz YZRWDZOQRXQPNE-JTQLQIEISA-N -1 3 328.359 2.769 20 10 EFCDHM CN(CCN(C)C(=O)OC(C)(C)C)Cc1c([O-])ccc(F)c1F ZINC001233332099 1312905190 /nfs/dbraw/zinc/90/51/90/1312905190.db2.gz YQEIAAOPLPEXQS-UHFFFAOYSA-N -1 3 330.375 2.969 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001233332446 1312905208 /nfs/dbraw/zinc/90/52/08/1312905208.db2.gz LMYAGULFTKTPKX-WCQYABFASA-N -1 3 343.267 2.898 20 10 EFCDHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1O ZINC001190401787 1292152461 /nfs/dbraw/zinc/15/24/61/1292152461.db2.gz PVCMAOWYBGVWLB-MRVPVSSYSA-N -1 3 331.315 2.849 20 10 EFCDHM CCN(C)c1ncnc2c1CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333284 1312906653 /nfs/dbraw/zinc/90/66/53/1312906653.db2.gz QKUZLFIJCAWMPE-UHFFFAOYSA-N -1 3 348.397 2.517 20 10 EFCDHM [O-]c1c(CN2CCOC3(CCOCC3)C2)cccc1C(F)(F)F ZINC001233419386 1312928618 /nfs/dbraw/zinc/92/86/18/1312928618.db2.gz WJFUYNHKHNACTL-UHFFFAOYSA-N -1 3 331.334 2.792 20 10 EFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCn2c(nnc2C2CC2)C1 ZINC001233454558 1312934818 /nfs/dbraw/zinc/93/48/18/1312934818.db2.gz ZDIDBRZFVWGUEK-UHFFFAOYSA-N -1 3 338.333 2.896 20 10 EFCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc(=O)[nH]1 ZINC001192239040 1292845318 /nfs/dbraw/zinc/84/53/18/1292845318.db2.gz BPVUGUPZWUSOHQ-UHFFFAOYSA-N -1 3 343.770 2.933 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCn2nc(C(F)(F)F)nc2C1 ZINC001203648667 1312980737 /nfs/dbraw/zinc/98/07/37/1312980737.db2.gz RKWPFCSYVQSHBQ-UHFFFAOYSA-N -1 3 332.713 2.672 20 10 EFCDHM Cc1nonc1[N-]C(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193163943 1293191662 /nfs/dbraw/zinc/19/16/62/1293191662.db2.gz JUPBUSAMFUIEJG-UHFFFAOYSA-N -1 3 329.385 2.820 20 10 EFCDHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(O)c(C(C)C)c1 ZINC000882798703 1293326301 /nfs/dbraw/zinc/32/63/01/1293326301.db2.gz AJBVUPLBUGTEHW-HNNXBMFYSA-N -1 3 343.445 2.989 20 10 EFCDHM CCCNC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775647832 1293859316 /nfs/dbraw/zinc/85/93/16/1293859316.db2.gz BZTKCWKZKGRLIC-UHFFFAOYSA-N -1 3 328.815 2.923 20 10 EFCDHM O=C1CCCN1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775678075 1294103088 /nfs/dbraw/zinc/10/30/88/1294103088.db2.gz WLRGTGXEHWXWJX-UHFFFAOYSA-N -1 3 326.799 2.772 20 10 EFCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198154200 1294915784 /nfs/dbraw/zinc/91/57/84/1294915784.db2.gz QTTCNKNGIBDXQO-UHFFFAOYSA-N -1 3 329.381 2.753 20 10 EFCDHM COc1ccccc1CCNC(=O)CN[C@H](C)c1c([O-])cccc1F ZINC000886605710 1295051646 /nfs/dbraw/zinc/05/16/46/1295051646.db2.gz XBGJVPUXKILWGQ-CYBMUJFWSA-N -1 3 346.402 2.549 20 10 EFCDHM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234525143 1313145374 /nfs/dbraw/zinc/14/53/74/1313145374.db2.gz BKJZRDPZASGFRG-WBMJQRKESA-N -1 3 333.359 2.639 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CC(O)(C(F)(F)F)C3)c2c1 ZINC001234525449 1313145412 /nfs/dbraw/zinc/14/54/12/1313145412.db2.gz HXJGPLNIEBDUMK-UHFFFAOYSA-N -1 3 327.302 2.663 20 10 EFCDHM CC[C@@H](COC)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749479 1313188845 /nfs/dbraw/zinc/18/88/45/1313188845.db2.gz UHQVAHCFXOWMLU-JTQLQIEISA-N -1 3 346.335 2.867 20 10 EFCDHM CCO[C@@H](C)COc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234753884 1313189275 /nfs/dbraw/zinc/18/92/75/1313189275.db2.gz SBQXUPMIUUEQDS-VIFPVBQESA-N -1 3 346.335 2.867 20 10 EFCDHM CCOC(=O)[C@@H]1COCCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234998073 1313219895 /nfs/dbraw/zinc/21/98/95/1313219895.db2.gz HQWSEILJBSWIOD-SFHVURJKSA-N -1 3 341.407 2.823 20 10 EFCDHM C[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])[C@H]1CO ZINC001235058249 1313233162 /nfs/dbraw/zinc/23/31/62/1313233162.db2.gz ZWCIDCWZCGSWGK-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](O)[C@H](F)CC1 ZINC001235057813 1313233216 /nfs/dbraw/zinc/23/32/16/1313233216.db2.gz TYRZUXDEEFQDJR-ZYHUDNBSSA-N -1 3 336.176 2.589 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@]1(C)O ZINC001235057754 1313233515 /nfs/dbraw/zinc/23/35/15/1313233515.db2.gz SFWZOSZUSNMHFC-YMTOWFKASA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CC[C@@H](CO)CN1Cc1cc(Br)cc(F)c1[O-] ZINC001235057492 1313233803 /nfs/dbraw/zinc/23/38/03/1313233803.db2.gz PICXYYCFUCLDCH-NXEZZACHSA-N -1 3 332.213 2.887 20 10 EFCDHM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1cc(F)ccc1[O-] ZINC001275908690 1296445960 /nfs/dbraw/zinc/44/59/60/1296445960.db2.gz HMPWHLHQPWUJBQ-GASCZTMLSA-N -1 3 333.432 2.755 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC001235293644 1313283285 /nfs/dbraw/zinc/28/32/85/1313283285.db2.gz KIQBFZLDIVYFQE-KOLCDFICSA-N -1 3 330.197 2.762 20 10 EFCDHM C[C@@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])[C@@H]1CO ZINC001235295914 1313284188 /nfs/dbraw/zinc/28/41/88/1313284188.db2.gz GNPTVEFSAYUKMM-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])CC[C@H]1O ZINC001235295871 1313284353 /nfs/dbraw/zinc/28/43/53/1313284353.db2.gz GHXWDONTTNGIOZ-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCN2CCCC[C@@H]2C1 ZINC001235301833 1313285419 /nfs/dbraw/zinc/28/54/19/1313285419.db2.gz JJFKSHHYEYDXPR-CYBMUJFWSA-N -1 3 343.240 2.964 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(C3CC3)n(C)n2)c1 ZINC000927109649 1296992627 /nfs/dbraw/zinc/99/26/27/1296992627.db2.gz UVSGESLCUKGQDP-LLVKDONJSA-N -1 3 329.400 2.641 20 10 EFCDHM CCOc1cc2c(cc1CNC(=O)c1cccc(O)c1[O-])O[C@@H](C)C2 ZINC000776319764 1297584860 /nfs/dbraw/zinc/58/48/60/1297584860.db2.gz INQATRYYAZMBCB-NSHDSACASA-N -1 3 343.379 2.750 20 10 EFCDHM CCCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C(C)(C)C1=O ZINC000778413325 1297674110 /nfs/dbraw/zinc/67/41/10/1297674110.db2.gz JEPWVPJKENUBMC-UHFFFAOYSA-N -1 3 336.407 2.567 20 10 EFCDHM N[C@]1(C(F)(F)F)CCN(Cc2c([O-])cccc2Br)C1 ZINC001206230098 1313423566 /nfs/dbraw/zinc/42/35/66/1313423566.db2.gz YLZKUBYFKAFGCR-LLVKDONJSA-N -1 3 339.155 2.620 20 10 EFCDHM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000776349552 1297928039 /nfs/dbraw/zinc/92/80/39/1297928039.db2.gz KILLQOTYIZUOIC-AWEZNQCLSA-N -1 3 344.386 2.944 20 10 EFCDHM CC(=O)N(C)[C@@H]1CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236668375 1313507089 /nfs/dbraw/zinc/50/70/89/1313507089.db2.gz ADSVNCRQOZWORG-CYBMUJFWSA-N -1 3 341.249 2.516 20 10 EFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001236796477 1313529799 /nfs/dbraw/zinc/52/97/99/1313529799.db2.gz PJZWPYNEGFYSIK-ZDUSSCGKSA-N -1 3 345.270 2.996 20 10 EFCDHM COc1ccc(CN2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1Cl ZINC001236802617 1313532411 /nfs/dbraw/zinc/53/24/11/1313532411.db2.gz ATTFBCBWNVULDR-QGZVFWFLSA-N -1 3 338.835 2.689 20 10 EFCDHM CCOC(=O)[C@@H]1CCCCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236803472 1313532495 /nfs/dbraw/zinc/53/24/95/1313532495.db2.gz OEARUOJFYVHMSG-AWEZNQCLSA-N -1 3 327.808 2.972 20 10 EFCDHM CCC(=O)NC1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236811737 1313534646 /nfs/dbraw/zinc/53/46/46/1313534646.db2.gz NRFCNKJTJGPBOD-UHFFFAOYSA-N -1 3 326.824 2.545 20 10 EFCDHM CCOC(=O)[C@@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236812147 1313535089 /nfs/dbraw/zinc/53/50/89/1313535089.db2.gz SBVCYZVNUXSCSS-GFCCVEGCSA-N -1 3 327.808 2.829 20 10 EFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC2(C[C@@H](O)CO2)CC1 ZINC001237078070 1313583307 /nfs/dbraw/zinc/58/33/07/1313583307.db2.gz NDVYYNSERHKYJT-SNVBAGLBSA-N -1 3 332.227 2.815 20 10 EFCDHM O=C1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@H]2CCCN12 ZINC001237087358 1313583646 /nfs/dbraw/zinc/58/36/46/1313583646.db2.gz WHPNKJWSZSVDTI-SNVBAGLBSA-N -1 3 329.227 2.896 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(Br)c1 ZINC001237058921 1313578643 /nfs/dbraw/zinc/57/86/43/1313578643.db2.gz CDQFOXDNMCPULX-FWDPORAESA-N -1 3 330.197 2.953 20 10 EFCDHM CN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1Cl ZINC001237122111 1313590091 /nfs/dbraw/zinc/59/00/91/1313590091.db2.gz RXTRUPQGOZVSAY-INIZCTEOSA-N -1 3 326.799 2.772 20 10 EFCDHM CC(C)C(=O)NC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125805 1313591053 /nfs/dbraw/zinc/59/10/53/1313591053.db2.gz FKZHJDBLAQVVHO-UHFFFAOYSA-N -1 3 328.815 2.921 20 10 EFCDHM COc1ccc(N2CCN(Cc3cc([O-])cc(F)c3)CC2)c(OC)c1 ZINC001237288408 1313618212 /nfs/dbraw/zinc/61/82/12/1313618212.db2.gz YESJXSPYYWYEJS-UHFFFAOYSA-N -1 3 346.402 2.871 20 10 EFCDHM CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000776625179 1299906906 /nfs/dbraw/zinc/90/69/06/1299906906.db2.gz XKYJSLHOBWQWJB-UHFFFAOYSA-N -1 3 329.356 2.880 20 10 EFCDHM O=C1CCC[C@@]2(CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)N1 ZINC001237618337 1313678007 /nfs/dbraw/zinc/67/80/07/1313678007.db2.gz HSWLOZLTEASQAD-INIZCTEOSA-N -1 3 326.799 2.819 20 10 EFCDHM COCCCCN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237623840 1313679008 /nfs/dbraw/zinc/67/90/08/1313679008.db2.gz LNNPTQFYUYYNJM-UHFFFAOYSA-N -1 3 330.831 2.729 20 10 EFCDHM [O-]c1c(I)cccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001237783331 1313704831 /nfs/dbraw/zinc/70/48/31/1313704831.db2.gz KCUHCUIYGHJMAM-SKDRFNHKSA-N -1 3 329.181 2.981 20 10 EFCDHM COC[C@H]1CCCN1Cc1cccc(I)c1[O-] ZINC001237778470 1313704906 /nfs/dbraw/zinc/70/49/06/1313704906.db2.gz WIJMLHDGVJOMJY-LLVKDONJSA-N -1 3 347.196 2.608 20 10 EFCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1C ZINC000795325088 1300746151 /nfs/dbraw/zinc/74/61/51/1300746151.db2.gz QFDZZCAHVBWDQV-UHFFFAOYSA-N -1 3 349.408 2.987 20 10 EFCDHM O=C1OCCCN1C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237941604 1313734729 /nfs/dbraw/zinc/73/47/29/1313734729.db2.gz ZDRIDPMXIJFQAT-UHFFFAOYSA-N -1 3 342.798 2.991 20 10 EFCDHM Cc1nnc(CN(C)Cc2c([O-])cccc2Br)s1 ZINC000862417369 1302375104 /nfs/dbraw/zinc/37/51/04/1302375104.db2.gz ANYRUUJKOSCBSA-UHFFFAOYSA-N -1 3 328.235 2.947 20 10 EFCDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(F)c(N(C)C)cc2F)n1 ZINC000862432453 1302383076 /nfs/dbraw/zinc/38/30/76/1302383076.db2.gz DLIUXJDGZQBIKZ-UHFFFAOYSA-N -1 3 336.386 2.860 20 10 EFCDHM CC(C)(C)n1ncnc1CNCc1c([O-])cccc1Br ZINC001348098965 1332799801 /nfs/dbraw/zinc/79/98/01/1332799801.db2.gz BFAGGVYAQZYCKI-UHFFFAOYSA-N -1 3 339.237 2.791 20 10 EFCDHM Cc1conc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000866763684 1303783522 /nfs/dbraw/zinc/78/35/22/1303783522.db2.gz HCONUKXBSRTQKY-AWEZNQCLSA-N -1 3 349.818 2.736 20 10 EFCDHM Cc1cc(CN2CCc3cnn(C)c3C2)c([O-])cc1Br ZINC001250132713 1315177678 /nfs/dbraw/zinc/17/76/78/1315177678.db2.gz DMAPXJJFEUTKLU-UHFFFAOYSA-N -1 3 336.233 2.755 20 10 EFCDHM CN1CCC[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380296 1311658776 /nfs/dbraw/zinc/65/87/76/1311658776.db2.gz QVJZGGJJVZCDED-LBPRGKRZSA-N -1 3 337.375 2.641 20 10 EFCDHM C[C@@H]1COCC[C@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385312 1311659703 /nfs/dbraw/zinc/65/97/03/1311659703.db2.gz PWZXWXYYZDXWAK-IAQYHMDHSA-N -1 3 338.359 2.971 20 10 EFCDHM C[C@H]1COCC[C@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385326 1311659749 /nfs/dbraw/zinc/65/97/49/1311659749.db2.gz PWZXWXYYZDXWAK-XHDPSFHLSA-N -1 3 338.359 2.971 20 10 EFCDHM CN1CCC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937183 1311876279 /nfs/dbraw/zinc/87/62/79/1311876279.db2.gz DQZMRTJDJJKKCX-AWEZNQCLSA-N -1 3 327.380 2.802 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CN2CCC1CC2 ZINC001227937850 1311876475 /nfs/dbraw/zinc/87/64/75/1311876475.db2.gz OCENVUASYZLUBE-KRWDZBQOSA-N -1 3 339.391 2.802 20 10 EFCDHM COC(=O)C1CC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937829 1311876815 /nfs/dbraw/zinc/87/68/15/1311876815.db2.gz NSPNYOULUZOIBH-UHFFFAOYSA-N -1 3 342.347 2.659 20 10 EFCDHM C[C@H]1COCC[C@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191581 1312059093 /nfs/dbraw/zinc/05/90/93/1312059093.db2.gz CSTSBWBAVDWMOG-XHDPSFHLSA-N -1 3 338.359 2.971 20 10 EFCDHM CC[C@@H](COc1cccc2c1C(=O)c1cccc([O-])c1C2=O)OC ZINC001229192872 1312059817 /nfs/dbraw/zinc/05/98/17/1312059817.db2.gz WKPYTHCQQXQOFQ-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM O=C([C@@H]1CC12CN(Cc1c([O-])cccc1F)C2)N1CCCC12CC2 ZINC001277488896 1312439013 /nfs/dbraw/zinc/43/90/13/1312439013.db2.gz LKOSNQNYGDDFOK-AWEZNQCLSA-N -1 3 330.403 2.508 20 10 EFCDHM Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)cc1 ZINC001231446357 1312499193 /nfs/dbraw/zinc/49/91/93/1312499193.db2.gz HMEDUSZERUKUKZ-UHFFFAOYSA-N -1 3 326.396 2.721 20 10 EFCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001231446426 1312499474 /nfs/dbraw/zinc/49/94/74/1312499474.db2.gz IQLUUKVTHLGWHO-BONVTDFDSA-N -1 3 347.333 2.616 20 10 EFCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001231446426 1312499477 /nfs/dbraw/zinc/49/94/77/1312499477.db2.gz IQLUUKVTHLGWHO-BONVTDFDSA-N -1 3 347.333 2.616 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c([O-])c1 ZINC001231452438 1312500070 /nfs/dbraw/zinc/50/00/70/1312500070.db2.gz PDNSIKKLZCNRDZ-QGZVFWFLSA-N -1 3 327.380 2.882 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c([O-])c1 ZINC001231452438 1312500073 /nfs/dbraw/zinc/50/00/73/1312500073.db2.gz PDNSIKKLZCNRDZ-QGZVFWFLSA-N -1 3 327.380 2.882 20 10 EFCDHM COc1cc2c(cc1OC)CN(Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231452720 1312500269 /nfs/dbraw/zinc/50/02/69/1312500269.db2.gz SROTZVWEEUZNEX-UHFFFAOYSA-N -1 3 343.379 2.666 20 10 EFCDHM COC(=O)c1cccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231453414 1312501258 /nfs/dbraw/zinc/50/12/58/1312501258.db2.gz FZLIVXAOJUVQHB-UHFFFAOYSA-N -1 3 329.352 2.509 20 10 EFCDHM COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231453414 1312501261 /nfs/dbraw/zinc/50/12/61/1312501261.db2.gz FZLIVXAOJUVQHB-UHFFFAOYSA-N -1 3 329.352 2.509 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+](Cc2cccnc2)C2CCOCC2)c([O-])c1 ZINC001231452962 1312501270 /nfs/dbraw/zinc/50/12/70/1312501270.db2.gz YBJGLHLHFXITLV-UHFFFAOYSA-N -1 3 342.395 2.667 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+](Cc2cccnc2)C2CCOCC2)c([O-])c1 ZINC001231452962 1312501273 /nfs/dbraw/zinc/50/12/73/1312501273.db2.gz YBJGLHLHFXITLV-UHFFFAOYSA-N -1 3 342.395 2.667 20 10 EFCDHM CCCc1noc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231454896 1312501338 /nfs/dbraw/zinc/50/13/38/1312501338.db2.gz KBGFOPYYRFMVGU-UHFFFAOYSA-N -1 3 345.399 2.806 20 10 EFCDHM COC(CN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1O)OC ZINC001231560357 1312525152 /nfs/dbraw/zinc/52/51/52/1312525152.db2.gz HREZZZLVWYXUTF-UHFFFAOYSA-N -1 3 345.395 2.712 20 10 EFCDHM CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561681 1312525693 /nfs/dbraw/zinc/52/56/93/1312525693.db2.gz YIAGXKFUHXAEMS-GOSISDBHSA-N -1 3 335.400 2.646 20 10 EFCDHM CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561681 1312525696 /nfs/dbraw/zinc/52/56/96/1312525696.db2.gz YIAGXKFUHXAEMS-GOSISDBHSA-N -1 3 335.400 2.646 20 10 EFCDHM COc1cc(CN(C)Cc2cc(C(=O)[O-])ccc2O)cc(OC)c1 ZINC001231564476 1312526769 /nfs/dbraw/zinc/52/67/69/1312526769.db2.gz REPWVLJFFUKQEP-UHFFFAOYSA-N -1 3 331.368 2.740 20 10 EFCDHM [O-]c1c(Cl)cccc1CN1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001231909215 1312586019 /nfs/dbraw/zinc/58/60/19/1312586019.db2.gz CAEMLPQZSQKAGC-QGZVFWFLSA-N -1 3 346.858 2.724 20 10 EFCDHM Cc1cc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)nc(C)n1 ZINC001231911751 1312587603 /nfs/dbraw/zinc/58/76/03/1312587603.db2.gz LNKAKBWJSRYUQU-UHFFFAOYSA-N -1 3 332.835 2.775 20 10 EFCDHM COc1cc([O-])c(CN2CCN(C3CCCC3)C(=O)C2)cc1Cl ZINC001232265254 1312662082 /nfs/dbraw/zinc/66/20/82/1312662082.db2.gz RWAVZXQFSJBKCG-UHFFFAOYSA-N -1 3 338.835 2.641 20 10 EFCDHM COc1cc([O-])c(CN2CCN(c3cccnc3)CC2)cc1Cl ZINC001232266664 1312662220 /nfs/dbraw/zinc/66/22/20/1312662220.db2.gz QVGWJTDATOOYFN-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM CCOC(=O)[C@H]1CSCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269210 1312662985 /nfs/dbraw/zinc/66/29/85/1312662985.db2.gz TXLVDAFSGTWSPD-GFCCVEGCSA-N -1 3 345.848 2.535 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccccc2-n2ccnc2)no1 ZINC001215325289 1314815962 /nfs/dbraw/zinc/81/59/62/1314815962.db2.gz KMVZNPOUFSZGFS-UHFFFAOYSA-N -1 3 336.307 2.706 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3ccccc3-n3ccnc3)no2)cc1O ZINC001215327448 1314816234 /nfs/dbraw/zinc/81/62/34/1314816234.db2.gz BETITSHIBBFLEJ-UHFFFAOYSA-N -1 3 336.307 2.706 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC001215327757 1314816465 /nfs/dbraw/zinc/81/64/65/1314816465.db2.gz RHZCXIVQQOUBJN-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2CCN(C(N)=O)CC2)cc1Cl ZINC001248883321 1314992217 /nfs/dbraw/zinc/99/22/17/1314992217.db2.gz FHCXIZWZRSXMGB-UHFFFAOYSA-N -1 3 325.840 2.539 20 10 EFCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(C)c1 ZINC000749152975 1315157269 /nfs/dbraw/zinc/15/72/69/1315157269.db2.gz VOQCPBDJESWITJ-UHFFFAOYSA-N -1 3 335.381 2.923 20 10 EFCDHM Cc1cc(CN2CCCC(=O)[C@H](F)C2)c([O-])cc1Br ZINC001250120861 1315175237 /nfs/dbraw/zinc/17/52/37/1315175237.db2.gz SFPHDNLQHHUNGB-GFCCVEGCSA-N -1 3 330.197 2.966 20 10 EFCDHM CC(C)(C)[C@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001253734728 1315633665 /nfs/dbraw/zinc/63/36/65/1315633665.db2.gz HJTZXLWZQFCMNX-QGZVFWFLSA-N -1 3 339.391 2.987 20 10 EFCDHM CC(C)CCc1nnc(-c2ccc([O-])c(CN3CCOCC3)c2)o1 ZINC001258362592 1316143062 /nfs/dbraw/zinc/14/30/62/1316143062.db2.gz IGHXXOIUDQAWQC-UHFFFAOYSA-N -1 3 331.416 2.863 20 10 EFCDHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC001259324730 1316230412 /nfs/dbraw/zinc/23/04/12/1316230412.db2.gz RHDXPDWMOQRHFQ-UHFFFAOYSA-N -1 3 349.408 2.607 20 10 EFCDHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)cc1C ZINC000904048756 1324861813 /nfs/dbraw/zinc/86/18/13/1324861813.db2.gz UGQFQBHOFAKBKP-KRWDZBQOSA-N -1 3 331.416 2.741 20 10 EFCDHM CCc1nnc([C@H](C)NCc2c([O-])cccc2Br)[nH]1 ZINC001331269593 1330813116 /nfs/dbraw/zinc/81/31/16/1330813116.db2.gz BPUHMNHXIMAYBW-QMMMGPOBSA-N -1 3 325.210 2.686 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@](O)(C2CC2)C1 ZINC001331550987 1330851723 /nfs/dbraw/zinc/85/17/23/1330851723.db2.gz YIQDPBZOLCCPPT-AWEZNQCLSA-N -1 3 330.197 2.641 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826210239 1428923897 /nfs/dbraw/zinc/92/38/97/1428923897.db2.gz JUSDTGKWHAVFIH-SNVBAGLBSA-N -1 3 343.362 2.571 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826210239 1428923898 /nfs/dbraw/zinc/92/38/98/1428923898.db2.gz JUSDTGKWHAVFIH-SNVBAGLBSA-N -1 3 343.362 2.571 20 10 EFCDHM CCOc1ccc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c([O-])c1 ZINC000825639524 1427717174 /nfs/dbraw/zinc/71/71/74/1427717174.db2.gz YVHNDZWAGYKPJT-UHFFFAOYSA-N -1 3 339.399 2.603 20 10 EFCDHM CCOc1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c([O-])c1 ZINC000825639524 1427717176 /nfs/dbraw/zinc/71/71/76/1427717176.db2.gz YVHNDZWAGYKPJT-UHFFFAOYSA-N -1 3 339.399 2.603 20 10 EFCDHM C[C@@H](NCc1cccc(Br)c1[O-])c1nnc2n1CCC2 ZINC000048797089 715508108 /nfs/dbraw/zinc/50/81/08/715508108.db2.gz HSQXWRHFACYXLV-SECBINFHSA-N -1 3 337.221 2.543 20 10 EFCDHM CN(C)S(=O)(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000317417915 718078010 /nfs/dbraw/zinc/07/80/10/718078010.db2.gz NORGVTHEIGQWDL-UHFFFAOYSA-N -1 3 340.832 2.908 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c([O-])c1O ZINC000177682144 718159955 /nfs/dbraw/zinc/15/99/55/718159955.db2.gz MRGSJHNFSKOAKZ-UHFFFAOYSA-N -1 3 326.352 2.568 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCN(C2CC2)CC1 ZINC000893924342 720163789 /nfs/dbraw/zinc/16/37/89/720163789.db2.gz QUZJMXMVCCGPSJ-UHFFFAOYSA-N -1 3 329.213 2.574 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCCN(Cc2cscn2)CC1 ZINC000893999571 720214432 /nfs/dbraw/zinc/21/44/32/720214432.db2.gz TUMSFQWHRXFRSU-UHFFFAOYSA-N -1 3 339.411 2.835 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](CCO)C1 ZINC000894003584 720218124 /nfs/dbraw/zinc/21/81/24/720218124.db2.gz CWWFZDMTASRCPK-JTQLQIEISA-N -1 3 332.213 2.888 20 10 EFCDHM O=C(NCc1csc(Br)c1)c1cccc(O)c1[O-] ZINC000398291151 721032598 /nfs/dbraw/zinc/03/25/98/721032598.db2.gz GLBXOGUMAPQDKU-UHFFFAOYSA-N -1 3 328.187 2.852 20 10 EFCDHM COc1ccnc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000093079048 721365429 /nfs/dbraw/zinc/36/54/29/721365429.db2.gz YNPJZCUPCSLTES-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM C[C@@H](O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894423842 722732759 /nfs/dbraw/zinc/73/27/59/722732759.db2.gz VNGRRGRBCSBUDM-ZJUUUORDSA-N -1 3 332.213 2.887 20 10 EFCDHM CCN(Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCNC1=O ZINC000894663109 722810522 /nfs/dbraw/zinc/81/05/22/722810522.db2.gz OYIMXFSEBURBDY-LLVKDONJSA-N -1 3 347.640 2.519 20 10 EFCDHM C[C@@H]1[C@@H](CO)CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000895015203 723050700 /nfs/dbraw/zinc/05/07/00/723050700.db2.gz UHEQZJGWWZKPIY-NXEZZACHSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1C[C@H](CO)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895033211 723055818 /nfs/dbraw/zinc/05/58/18/723055818.db2.gz HDRFZBGTQHEGQC-ZJUUUORDSA-N -1 3 332.213 2.744 20 10 EFCDHM CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)ccc1[O-] ZINC000895863340 724346630 /nfs/dbraw/zinc/34/66/30/724346630.db2.gz IUERTRIOMCKFOD-KBPBESRZSA-N -1 3 327.808 2.636 20 10 EFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCCCCCC2)c1 ZINC000055114634 727903441 /nfs/dbraw/zinc/90/34/41/727903441.db2.gz DJOWIJBZUZPRLF-UHFFFAOYSA-N -1 3 340.445 2.606 20 10 EFCDHM CN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)Cc1ccccc1O ZINC000904191945 969600251 /nfs/dbraw/zinc/60/02/51/969600251.db2.gz UKIKSSTVESFYPY-UHFFFAOYSA-N -1 3 344.411 2.918 20 10 EFCDHM CN(C)c1ccc(/C=C\CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900073689 980245492 /nfs/dbraw/zinc/24/54/92/980245492.db2.gz KTGLGTLZCIIXPQ-OICCZTGUSA-N -1 3 340.427 2.785 20 10 EFCDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1C ZINC000901531139 980359849 /nfs/dbraw/zinc/35/98/49/980359849.db2.gz ULCSLUMEAFXFFD-SFHVURJKSA-N -1 3 327.380 2.854 20 10 EFCDHM Cc1[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccccc2O)c(C)c1C(=O)[O-] ZINC001599943231 985481876 /nfs/dbraw/zinc/48/18/76/985481876.db2.gz IQFVFHHSCARAQV-CMPLNLGQSA-N -1 3 330.384 2.957 20 10 EFCDHM CC(C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cc(C(=O)[O-])on1 ZINC001590870353 990771638 /nfs/dbraw/zinc/77/16/38/990771638.db2.gz BZBPAQOQFINETB-UHFFFAOYSA-N -1 3 328.727 2.896 20 10 EFCDHM COc1ccc(N2CCCN(Cc3cccc(C(=O)[O-])n3)CC2)cc1 ZINC001599585521 993608035 /nfs/dbraw/zinc/60/80/35/993608035.db2.gz UKUFXPJAYLYSQQ-UHFFFAOYSA-N -1 3 341.411 2.501 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001599598946 993787751 /nfs/dbraw/zinc/78/77/51/993787751.db2.gz WGSATTAKAFHXLD-SECBINFHSA-N -1 3 336.775 2.998 20 10 EFCDHM C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219699 994303283 /nfs/dbraw/zinc/30/32/83/994303283.db2.gz PMMJKJHUUFZNHQ-DOMZBBRYSA-N -1 3 346.427 2.532 20 10 EFCDHM C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593230165 994359122 /nfs/dbraw/zinc/35/91/22/994359122.db2.gz BNQXQGMBIMWVSY-DGCLKSJQSA-N -1 3 345.374 2.554 20 10 EFCDHM C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247219 994461430 /nfs/dbraw/zinc/46/14/30/994461430.db2.gz QIDUZTVLRHPDLD-PSLIRLAXSA-N -1 3 337.322 2.753 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247221 994462842 /nfs/dbraw/zinc/46/28/42/994462842.db2.gz QIDUZTVLRHPDLD-RFAUZJTJSA-N -1 3 337.322 2.753 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257598 994531372 /nfs/dbraw/zinc/53/13/72/994531372.db2.gz QMQCGXYJBFAYMW-TZMCWYRMSA-N -1 3 335.400 2.817 20 10 EFCDHM C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257597 994531709 /nfs/dbraw/zinc/53/17/09/994531709.db2.gz QMQCGXYJBFAYMW-OCCSQVGLSA-N -1 3 335.400 2.817 20 10 EFCDHM C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593276360 994632846 /nfs/dbraw/zinc/63/28/46/994632846.db2.gz ZXDFOUZFUCSAJX-LBPRGKRZSA-N -1 3 339.395 2.870 20 10 EFCDHM C[C@@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286661 994647391 /nfs/dbraw/zinc/64/73/91/994647391.db2.gz WECIBYWFGIVPEC-OWDMVUQNSA-N -1 3 341.407 2.834 20 10 EFCDHM C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1cc(C(=O)[O-])ccc1O ZINC001593292848 994679752 /nfs/dbraw/zinc/67/97/52/994679752.db2.gz PYSYJMIXZZPFEF-MRVPVSSYSA-N -1 3 343.305 2.694 20 10 EFCDHM COc1cc(C)cc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1O ZINC001599392783 997068985 /nfs/dbraw/zinc/06/89/85/997068985.db2.gz SNMOMYHABSOWNE-UHFFFAOYSA-N -1 3 327.380 2.966 20 10 EFCDHM COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599211486 997508640 /nfs/dbraw/zinc/50/86/40/997508640.db2.gz LDMGMFWGSMVXFD-OCCSQVGLSA-N -1 3 333.384 2.982 20 10 EFCDHM COc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c([O-])c1 ZINC001599572532 998388931 /nfs/dbraw/zinc/38/89/31/998388931.db2.gz BBPRKXKQEPKVSW-GFCCVEGCSA-N -1 3 331.368 2.543 20 10 EFCDHM Cc1ccc(C=CC(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)cn1 ZINC001581183106 1091087646 /nfs/dbraw/zinc/08/76/46/1091087646.db2.gz UQIFIQIJYKPOGE-KTKRTIGZSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccc(C=CC(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)cn1 ZINC001581183106 1091087653 /nfs/dbraw/zinc/08/76/53/1091087653.db2.gz UQIFIQIJYKPOGE-KTKRTIGZSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccc(C=CC(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)cn1 ZINC001581183107 1091088222 /nfs/dbraw/zinc/08/82/22/1091088222.db2.gz UQIFIQIJYKPOGE-MDZDMXLPSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccc(C=CC(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)cn1 ZINC001581183107 1091088231 /nfs/dbraw/zinc/08/82/31/1091088231.db2.gz UQIFIQIJYKPOGE-MDZDMXLPSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1csc(NC(=O)N[C@H](C)c2ccccc2O)c1-c1nnn[n-]1 ZINC001581387589 1091137279 /nfs/dbraw/zinc/13/72/79/1091137279.db2.gz UJQRJAUSMUTIRC-SECBINFHSA-N -1 3 344.400 2.825 20 10 EFCDHM Cc1csc(NC(=O)N[C@H](C)c2ccccc2O)c1-c1nn[n-]n1 ZINC001581387589 1091137284 /nfs/dbraw/zinc/13/72/84/1091137284.db2.gz UJQRJAUSMUTIRC-SECBINFHSA-N -1 3 344.400 2.825 20 10 EFCDHM C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589902302 1093174704 /nfs/dbraw/zinc/17/47/04/1093174704.db2.gz BNGMJBPXKRSRSR-MNOVXSKESA-N -1 3 329.429 2.916 20 10 EFCDHM C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951724 1093191678 /nfs/dbraw/zinc/19/16/78/1093191678.db2.gz FLZMWJYRQNBDGA-IUIKQTSFSA-N -1 3 343.431 2.571 20 10 EFCDHM C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951726 1093191786 /nfs/dbraw/zinc/19/17/86/1093191786.db2.gz FLZMWJYRQNBDGA-UVBJJODRSA-N -1 3 343.431 2.571 20 10 EFCDHM C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951955 1093191979 /nfs/dbraw/zinc/19/19/79/1093191979.db2.gz KBERSWHIFLELPQ-WBMJQRKESA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957172 1093195262 /nfs/dbraw/zinc/19/52/62/1093195262.db2.gz AOQQEPFSDDCLCP-SECBINFHSA-N -1 3 325.363 2.904 20 10 EFCDHM C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978084 1093204932 /nfs/dbraw/zinc/20/49/32/1093204932.db2.gz HUMNCGRNCWBFTJ-UTUOFQBUSA-N -1 3 331.420 2.569 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465587 1093436746 /nfs/dbraw/zinc/43/67/46/1093436746.db2.gz JLPLSLYVQBUCJP-DOMZBBRYSA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@H]([NH2+]CCCCOC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467278 1093438378 /nfs/dbraw/zinc/43/83/78/1093438378.db2.gz PDFXMEYPNHGZMJ-HNNXBMFYSA-N -1 3 333.436 2.818 20 10 EFCDHM CC[C@@H]([NH2+]CCC(O)(CC)CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469416 1093442061 /nfs/dbraw/zinc/44/20/61/1093442061.db2.gz YTPDKDCJTPDKIK-CQSZACIVSA-N -1 3 333.436 2.554 20 10 EFCDHM CCN(CCOc1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC001590715003 1093552801 /nfs/dbraw/zinc/55/28/01/1093552801.db2.gz CSIGBHRLPCCKRL-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM CCN(CCOc1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC001590715003 1093552807 /nfs/dbraw/zinc/55/28/07/1093552807.db2.gz CSIGBHRLPCCKRL-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)c1cc(-c2nnn[n-]2)cc(C)n1 ZINC001590718755 1093555300 /nfs/dbraw/zinc/55/53/00/1093555300.db2.gz HIAYPCYLKQVOCO-UHFFFAOYSA-N -1 3 337.431 2.663 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)c1cc(-c2nn[n-]n2)cc(C)n1 ZINC001590718755 1093555306 /nfs/dbraw/zinc/55/53/06/1093555306.db2.gz HIAYPCYLKQVOCO-UHFFFAOYSA-N -1 3 337.431 2.663 20 10 EFCDHM CCc1cnc(C[NH2+][C@@H](CC)c2cccc(-c3nn[n-]n3)c2[O-])s1 ZINC001590900261 1093625165 /nfs/dbraw/zinc/62/51/65/1093625165.db2.gz BPIMODHIQPKKNR-ZDUSSCGKSA-N -1 3 344.444 2.832 20 10 EFCDHM COC(=O)c1cnc(S[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC001591305476 1093687372 /nfs/dbraw/zinc/68/73/72/1093687372.db2.gz MFFQKQGDMAXOKT-QMMMGPOBSA-N -1 3 347.425 2.963 20 10 EFCDHM COC(=O)c1cnc(S[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC001591305476 1093687373 /nfs/dbraw/zinc/68/73/73/1093687373.db2.gz MFFQKQGDMAXOKT-QMMMGPOBSA-N -1 3 347.425 2.963 20 10 EFCDHM COCC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccco1 ZINC001591400148 1093714985 /nfs/dbraw/zinc/71/49/85/1093714985.db2.gz NEBDKIJMNFUOHG-FZMZJTMJSA-N -1 3 343.387 2.594 20 10 EFCDHM COc1ccc(N(C)CCc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC001591606534 1093794701 /nfs/dbraw/zinc/79/47/01/1093794701.db2.gz KOQHGRVCWQILJQ-UHFFFAOYSA-N -1 3 339.399 2.563 20 10 EFCDHM COc1ccc(N(C)CCc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC001591606534 1093794703 /nfs/dbraw/zinc/79/47/03/1093794703.db2.gz KOQHGRVCWQILJQ-UHFFFAOYSA-N -1 3 339.399 2.563 20 10 EFCDHM Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592456559 1094107341 /nfs/dbraw/zinc/10/73/41/1094107341.db2.gz YUKUWODKPJXFIZ-NXEZZACHSA-N -1 3 342.403 2.631 20 10 EFCDHM Cc1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=O)c2)c([O-])c1O ZINC000780905178 1094942897 /nfs/dbraw/zinc/94/28/97/1094942897.db2.gz XUAYPFMZBJTQSZ-UHFFFAOYSA-N -1 3 325.324 2.550 20 10 EFCDHM Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001600355243 1094996895 /nfs/dbraw/zinc/99/68/95/1094996895.db2.gz CLWXBDQNDQHUIJ-GFCCVEGCSA-N -1 3 328.368 2.688 20 10 EFCDHM Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001600355244 1094996949 /nfs/dbraw/zinc/99/69/49/1094996949.db2.gz CLWXBDQNDQHUIJ-LBPRGKRZSA-N -1 3 328.368 2.688 20 10 EFCDHM Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001600402158 1095038244 /nfs/dbraw/zinc/03/82/44/1095038244.db2.gz OFKCRNGNONLGPN-CZUORRHYSA-N -1 3 329.396 2.653 20 10 EFCDHM Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1C ZINC001600402751 1095038287 /nfs/dbraw/zinc/03/82/87/1095038287.db2.gz SLPPQQZBCOTZIC-RHSMWYFYSA-N -1 3 343.423 2.961 20 10 EFCDHM Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1C(=O)[O-] ZINC001600952364 1095442433 /nfs/dbraw/zinc/44/24/33/1095442433.db2.gz RYAIYAJJJLHHLS-MRXNPFEDSA-N -1 3 344.411 2.610 20 10 EFCDHM Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1C(=O)[O-] ZINC001600952364 1095442442 /nfs/dbraw/zinc/44/24/42/1095442442.db2.gz RYAIYAJJJLHHLS-MRXNPFEDSA-N -1 3 344.411 2.610 20 10 EFCDHM CC(C)(C)c1cnc(SCc2ncc(-c3nnn[n-]3)cn2)s1 ZINC001603120551 1096451294 /nfs/dbraw/zinc/45/12/94/1096451294.db2.gz GZOWBOUZOWPBFB-UHFFFAOYSA-N -1 3 333.446 2.703 20 10 EFCDHM CC(C)(C)c1cnc(SCc2ncc(-c3nn[n-]n3)cn2)s1 ZINC001603120551 1096451299 /nfs/dbraw/zinc/45/12/99/1096451299.db2.gz GZOWBOUZOWPBFB-UHFFFAOYSA-N -1 3 333.446 2.703 20 10 EFCDHM C[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])CC(F)(F)F ZINC001603552029 1096550269 /nfs/dbraw/zinc/55/02/69/1096550269.db2.gz NTTVNWFQQLKISS-RKDXNWHRSA-N -1 3 329.326 2.811 20 10 EFCDHM C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658577 1096580909 /nfs/dbraw/zinc/58/09/09/1096580909.db2.gz TYGPVNTXQNANDR-MNOVXSKESA-N -1 3 333.461 2.897 20 10 EFCDHM CC[C@H]([NH2+]C[C@@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604052964 1096712500 /nfs/dbraw/zinc/71/25/00/1096712500.db2.gz AEENGEBIKUJEMG-FZMZJTMJSA-N -1 3 333.461 2.756 20 10 EFCDHM CC[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054170 1096712612 /nfs/dbraw/zinc/71/26/12/1096712612.db2.gz GRAWSNBOYAKDPU-OAHLLOKOSA-N -1 3 345.447 2.556 20 10 EFCDHM CCN(C(=O)C=Cc1scnc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001604258330 1096787463 /nfs/dbraw/zinc/78/74/63/1096787463.db2.gz KFGQYRXFGINJPL-CMDGGOBGSA-N -1 3 340.412 2.698 20 10 EFCDHM CCN(C(=O)C=Cc1scnc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001604258330 1096787467 /nfs/dbraw/zinc/78/74/67/1096787467.db2.gz KFGQYRXFGINJPL-CMDGGOBGSA-N -1 3 340.412 2.698 20 10 EFCDHM C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326876 1096811376 /nfs/dbraw/zinc/81/13/76/1096811376.db2.gz UKXILRGAKFQANR-CZUORRHYSA-N -1 3 329.396 2.735 20 10 EFCDHM C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339181 1096818167 /nfs/dbraw/zinc/81/81/67/1096818167.db2.gz UGSZRWCPDVFYAF-ZANVPECISA-N -1 3 334.338 2.624 20 10 EFCDHM C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339180 1096819405 /nfs/dbraw/zinc/81/94/05/1096819405.db2.gz UGSZRWCPDVFYAF-TVQRCGJNSA-N -1 3 334.338 2.624 20 10 EFCDHM C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340568 1096820525 /nfs/dbraw/zinc/82/05/25/1096820525.db2.gz JQBYSUBMZNZORB-SNVBAGLBSA-N -1 3 332.425 2.929 20 10 EFCDHM CCc1cccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001604531431 1096895579 /nfs/dbraw/zinc/89/55/79/1096895579.db2.gz KHXNIEDQYFSZHZ-UHFFFAOYSA-N -1 3 339.428 2.743 20 10 EFCDHM CCc1noc(CC)c1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604586286 1096908833 /nfs/dbraw/zinc/90/88/33/1096908833.db2.gz GEZNUUJTFWBQIP-SNVBAGLBSA-N -1 3 342.403 2.536 20 10 EFCDHM COc1ccc(COc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC001605288295 1097081821 /nfs/dbraw/zinc/08/18/21/1097081821.db2.gz SRMFYTJKPCEKKW-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM COc1ccc(COc2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC001605288295 1097081824 /nfs/dbraw/zinc/08/18/24/1097081824.db2.gz SRMFYTJKPCEKKW-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605313521 1097091651 /nfs/dbraw/zinc/09/16/51/1097091651.db2.gz XILQQMJCJAFVJR-VXGBXAGGSA-N -1 3 339.399 2.993 20 10 EFCDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1O ZINC001605404277 1097118970 /nfs/dbraw/zinc/11/89/70/1097118970.db2.gz FIIWSTOSJADLIP-SECBINFHSA-N -1 3 342.334 2.594 20 10 EFCDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1O ZINC001605404277 1097118972 /nfs/dbraw/zinc/11/89/72/1097118972.db2.gz FIIWSTOSJADLIP-SECBINFHSA-N -1 3 342.334 2.594 20 10 EFCDHM CCOCc1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)ccc1OC ZINC001605642540 1097177305 /nfs/dbraw/zinc/17/73/05/1097177305.db2.gz RQYADXAWZJUVTB-GOSISDBHSA-N -1 3 345.395 2.853 20 10 EFCDHM CCOc1ccc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c([O-])c1 ZINC001605690111 1097196127 /nfs/dbraw/zinc/19/61/27/1097196127.db2.gz BGHUUXQOQVUEHB-CQSZACIVSA-N -1 3 333.306 2.630 20 10 EFCDHM CCOc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c([O-])c1 ZINC001605690111 1097196129 /nfs/dbraw/zinc/19/61/29/1097196129.db2.gz BGHUUXQOQVUEHB-CQSZACIVSA-N -1 3 333.306 2.630 20 10 EFCDHM [O-]c1c(F)cccc1C[NH2+]C1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001607110367 1097517017 /nfs/dbraw/zinc/51/70/17/1097517017.db2.gz ASAKYTPFDOMBLN-UHFFFAOYSA-N -1 3 339.374 2.880 20 10 EFCDHM [O-]c1c(Cl)cccc1CN1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001607110410 1097517239 /nfs/dbraw/zinc/51/72/39/1097517239.db2.gz BPESVUZHMRVHPP-UHFFFAOYSA-N -1 3 327.775 2.742 20 10 EFCDHM COc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(O)c1OC ZINC001607251941 1097575934 /nfs/dbraw/zinc/57/59/34/1097575934.db2.gz GBGKECUKKSFBRX-HNNXBMFYSA-N -1 3 343.379 2.593 20 10 EFCDHM Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001607849514 1097753166 /nfs/dbraw/zinc/75/31/66/1097753166.db2.gz AWRSZYXGNZIIKA-CJNGLKHVSA-N -1 3 329.396 2.653 20 10 EFCDHM CCc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609252724 1098224753 /nfs/dbraw/zinc/22/47/53/1098224753.db2.gz PZHGFFRGRQQEJS-UHFFFAOYSA-N -1 3 339.428 2.743 20 10 EFCDHM Cc1cc(C(=O)N[C@@H]2CC23CC3)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC001609393993 1098285628 /nfs/dbraw/zinc/28/56/28/1098285628.db2.gz FBYZTCZBDCTKMG-MRXNPFEDSA-N -1 3 348.410 2.557 20 10 EFCDHM Cc1ccc(C)c(NNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC001609421483 1098306792 /nfs/dbraw/zinc/30/67/92/1098306792.db2.gz GIRVYKCBUXRHCV-UHFFFAOYSA-N -1 3 339.428 2.797 20 10 EFCDHM Cc1ccc(C)c(NNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC001609421483 1098306799 /nfs/dbraw/zinc/30/67/99/1098306799.db2.gz GIRVYKCBUXRHCV-UHFFFAOYSA-N -1 3 339.428 2.797 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC001610207603 1098571817 /nfs/dbraw/zinc/57/18/17/1098571817.db2.gz IWCWOHHNLSSHOE-YPMHNXCESA-N -1 3 343.379 2.627 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC001610207603 1098571821 /nfs/dbraw/zinc/57/18/21/1098571821.db2.gz IWCWOHHNLSSHOE-YPMHNXCESA-N -1 3 343.379 2.627 20 10 EFCDHM COc1cccc([O-])c1C[NH2+][C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001610357259 1098636596 /nfs/dbraw/zinc/63/65/96/1098636596.db2.gz UYTHFKAPLBRUPE-DZGCQCFKSA-N -1 3 329.396 2.822 20 10 EFCDHM Cc1cccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)c1O ZINC001610522033 1098729454 /nfs/dbraw/zinc/72/94/54/1098729454.db2.gz MRXWUMRWGVIPOO-UHFFFAOYSA-N -1 3 332.425 2.783 20 10 EFCDHM O=C([O-])[C@H]1[C@H](CN(Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC001610731655 1098856926 /nfs/dbraw/zinc/85/69/26/1098856926.db2.gz PEJVOTNYWBDFLR-DZGCQCFKSA-N -1 3 337.322 2.953 20 10 EFCDHM O=C([O-])C[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC001610758055 1098870274 /nfs/dbraw/zinc/87/02/74/1098870274.db2.gz HDWIQHIAPTYGDA-IBGZPJMESA-N -1 3 327.380 2.783 20 10 EFCDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1 ZINC000780837150 1101540493 /nfs/dbraw/zinc/54/04/93/1101540493.db2.gz CHXMYILFENJTRF-UHFFFAOYSA-N -1 3 339.344 2.509 20 10 EFCDHM C[C@H]1CN(Cc2ccc(I)cc2[O-])C[C@H](C)O1 ZINC001232974088 1107488601 /nfs/dbraw/zinc/48/86/01/1107488601.db2.gz HWVFLCXGNBRWMZ-UWVGGRQHSA-N -1 3 347.196 2.606 20 10 EFCDHM CO[C@H]1CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232973775 1107490028 /nfs/dbraw/zinc/49/00/28/1107490028.db2.gz ADGISLWKSTXNAL-LBPRGKRZSA-N -1 3 347.196 2.608 20 10 EFCDHM CC(=O)OC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000153160829 1111146362 /nfs/dbraw/zinc/14/63/62/1111146362.db2.gz OJMTVNBFKGOKTP-UHFFFAOYSA-N -1 3 325.792 2.776 20 10 EFCDHM [O-]c1c(CNc2nccn3ncnc23)cc(Cl)c2cccnc12 ZINC001168525377 1112395625 /nfs/dbraw/zinc/39/56/25/1112395625.db2.gz BUVSAJIJCUIFIP-UHFFFAOYSA-N -1 3 326.747 2.644 20 10 EFCDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000184618974 1119272118 /nfs/dbraw/zinc/27/21/18/1119272118.db2.gz AAILBYJCGLETBV-UHFFFAOYSA-N -1 3 340.332 2.803 20 10 EFCDHM O=c1[nH]cc2[nH]c(NCc3cc(Cl)c4cccnc4c3[O-])ccc1-2 ZINC001168528618 1120254849 /nfs/dbraw/zinc/25/48/49/1120254849.db2.gz WODZOUOVWZTCCG-UHFFFAOYSA-N -1 3 340.770 2.844 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c([O-])c1O ZINC000177685143 239389020 /nfs/dbraw/zinc/38/90/20/239389020.db2.gz APQXZTTYXCCMQL-OAHLLOKOSA-N -1 3 340.423 2.753 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c([O-])c1O ZINC000177660934 239385289 /nfs/dbraw/zinc/38/52/89/239385289.db2.gz LKMTUDYUZMCVEX-UHFFFAOYSA-N -1 3 330.359 2.508 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c([O-])c1O ZINC000177661464 239385645 /nfs/dbraw/zinc/38/56/45/239385645.db2.gz KQANEXZYNTVKSB-UHFFFAOYSA-N -1 3 330.359 2.508 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000191819978 240008360 /nfs/dbraw/zinc/00/83/60/240008360.db2.gz HPNRSJDOXUDJOS-YGRLFVJLSA-N -1 3 339.819 2.879 20 10 EFCDHM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC000192990369 240079264 /nfs/dbraw/zinc/07/92/64/240079264.db2.gz QPAPOZBTXMDJJP-KBXCAEBGSA-N -1 3 327.380 2.996 20 10 EFCDHM C=Cn1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cn1 ZINC000193921336 240129601 /nfs/dbraw/zinc/12/96/01/240129601.db2.gz BUDAPQVECZVQND-UHFFFAOYSA-N -1 3 335.791 2.518 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](CCc2ccccc2)C1 ZINC000193162684 240088267 /nfs/dbraw/zinc/08/82/67/240088267.db2.gz HNXWYYYJKKRPCQ-OAHLLOKOSA-N -1 3 327.380 2.572 20 10 EFCDHM CCCOc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)c([O-])c1 ZINC000248970371 240297981 /nfs/dbraw/zinc/29/79/81/240297981.db2.gz PDCDNXKQXMHAGP-CVEARBPZSA-N -1 3 347.415 2.834 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC(C)(C)C ZINC000272199934 240651653 /nfs/dbraw/zinc/65/16/53/240651653.db2.gz HIFXJLNZERHUJD-UHFFFAOYSA-N -1 3 327.808 2.983 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291638669 241025739 /nfs/dbraw/zinc/02/57/39/241025739.db2.gz DPVFJZUYJHIXJJ-HXUWFJFHSA-N -1 3 343.398 2.870 20 10 EFCDHM Cc1ccc(C(=O)NCCc2cc(C(F)(F)F)ccn2)c([O-])c1O ZINC000294027574 241031698 /nfs/dbraw/zinc/03/16/98/241031698.db2.gz WIUUXRJHEXFOCR-UHFFFAOYSA-N -1 3 340.301 2.793 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](NCc2csnn2)C1 ZINC000360791473 242210969 /nfs/dbraw/zinc/21/09/69/242210969.db2.gz NXFXUSHRFWNKFK-ZDUSSCGKSA-N -1 3 338.864 2.651 20 10 EFCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc([O-])c(F)c1 ZINC000450047609 251242019 /nfs/dbraw/zinc/24/20/19/251242019.db2.gz MGOSNAKJFCFPRX-UHFFFAOYSA-N -1 3 330.359 2.565 20 10 EFCDHM COc1cccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000172536799 533475186 /nfs/dbraw/zinc/47/51/86/533475186.db2.gz ITUUQCIXJKRMKT-KRWDZBQOSA-N -1 3 328.412 2.977 20 10 EFCDHM COc1ccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000085795060 544513002 /nfs/dbraw/zinc/51/30/02/544513002.db2.gz ALTRSJTWHQRYOP-KRWDZBQOSA-N -1 3 328.412 2.977 20 10 EFCDHM C[C@H](NC(c1nccn1C)c1nccn1C)c1ccc(Cl)cc1[O-] ZINC000527945233 316501151 /nfs/dbraw/zinc/50/11/51/316501151.db2.gz GQLRSPNHFFFONH-NSHDSACASA-N -1 3 345.834 2.953 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccccc3O)CC2)c1[O-] ZINC000177227686 473337411 /nfs/dbraw/zinc/33/74/11/473337411.db2.gz FNMFJKWGBJWWBJ-UHFFFAOYSA-N -1 3 344.386 2.762 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000119294777 472543185 /nfs/dbraw/zinc/54/31/85/472543185.db2.gz MKLDVSRRBGKIQM-CYBMUJFWSA-N -1 3 348.834 2.752 20 10 EFCDHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(OC)c(OC)cc1[O-] ZINC000131872339 472697894 /nfs/dbraw/zinc/69/78/94/472697894.db2.gz LUNJJVAHZRRDNX-QGZVFWFLSA-N -1 3 348.443 2.953 20 10 EFCDHM Cn1c(Cl)cnc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000078680607 472753472 /nfs/dbraw/zinc/75/34/72/472753472.db2.gz TYTVBUMWOPXLPW-CQSZACIVSA-N -1 3 335.835 2.960 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(CC(=O)N(C)C)c2ccccc2)c1[O-] ZINC000079473696 472871613 /nfs/dbraw/zinc/87/16/13/472871613.db2.gz XBWHDJABGMFRNR-UHFFFAOYSA-N -1 3 344.386 2.829 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(n3ccnc3)CC2)c1[O-] ZINC000092648534 472950705 /nfs/dbraw/zinc/95/07/05/472950705.db2.gz AODYZHQQCSNWHS-UHFFFAOYSA-N -1 3 336.779 2.987 20 10 EFCDHM CCCOc1ccc(CN2CCN(Cc3ccccn3)CC2)c([O-])c1 ZINC000121962927 472954958 /nfs/dbraw/zinc/95/49/58/472954958.db2.gz LGOXSUXITOJQDX-UHFFFAOYSA-N -1 3 341.455 2.894 20 10 EFCDHM CCc1ccc([C@H]2COCCN2Cc2cc3c(cc2[O-])OCO3)o1 ZINC000093459484 473109239 /nfs/dbraw/zinc/10/92/39/473109239.db2.gz GWCOVQVIAKURSO-CQSZACIVSA-N -1 3 331.368 2.850 20 10 EFCDHM Cn1ccnc1[C@H](O)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093454669 473109565 /nfs/dbraw/zinc/10/95/65/473109565.db2.gz UQEGQWWCPLKODX-MRXNPFEDSA-N -1 3 335.835 2.725 20 10 EFCDHM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccccc1[O-] ZINC000109770863 473120515 /nfs/dbraw/zinc/12/05/15/473120515.db2.gz ZUPLWGFUAGAUME-CYBMUJFWSA-N -1 3 342.395 2.622 20 10 EFCDHM CCC1(CO)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093591762 473121985 /nfs/dbraw/zinc/12/19/85/473121985.db2.gz CEIIKDUNPZJYLB-UHFFFAOYSA-N -1 3 328.796 2.938 20 10 EFCDHM COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c(OC)c1 ZINC000111235633 473197772 /nfs/dbraw/zinc/19/77/72/473197772.db2.gz OULTVLPUHVVVEF-CYBMUJFWSA-N -1 3 344.411 2.868 20 10 EFCDHM C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)Cc1ccccc1[O-] ZINC000111235639 473198000 /nfs/dbraw/zinc/19/80/00/473198000.db2.gz VJPQWCXKQHAQJE-YOEHRIQHSA-N -1 3 340.423 2.853 20 10 EFCDHM COc1ccccc1N1CC[C@H](N(C)Cc2ccccc2[O-])C1=O ZINC000151257247 473432851 /nfs/dbraw/zinc/43/28/51/473432851.db2.gz NRQJWFQCCVXRFH-INIZCTEOSA-N -1 3 326.396 2.638 20 10 EFCDHM O=C1CCCN1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191323159 473527663 /nfs/dbraw/zinc/52/76/63/473527663.db2.gz BXFOPIMIBYPZMD-UHFFFAOYSA-N -1 3 326.799 2.772 20 10 EFCDHM C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[O-] ZINC000186144207 473600281 /nfs/dbraw/zinc/60/02/81/473600281.db2.gz JXOPQAHEZNLPEZ-JOYOIKCWSA-N -1 3 334.313 2.735 20 10 EFCDHM C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(F)cc1[O-] ZINC000186262347 473631459 /nfs/dbraw/zinc/63/14/59/473631459.db2.gz IXNGNGWJKYXDEX-GFCCVEGCSA-N -1 3 329.375 2.641 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cn(C)cn1 ZINC000179135734 473636770 /nfs/dbraw/zinc/63/67/70/473636770.db2.gz MEYATUZUPPXAKP-UHFFFAOYSA-N -1 3 338.205 2.551 20 10 EFCDHM COc1cc(Br)cc(CN2CCCO[C@H](C)C2)c1[O-] ZINC000179394802 473683495 /nfs/dbraw/zinc/68/34/95/473683495.db2.gz VBRMFIRDUMQRIW-SNVBAGLBSA-N -1 3 330.222 2.774 20 10 EFCDHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179453415 473688804 /nfs/dbraw/zinc/68/88/04/473688804.db2.gz HJVWMKWARVMFNV-UONOGXRCSA-N -1 3 348.443 2.563 20 10 EFCDHM O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179567474 473695919 /nfs/dbraw/zinc/69/59/19/473695919.db2.gz NAPBOXIGCHISRT-UHFFFAOYSA-N -1 3 335.407 2.832 20 10 EFCDHM COc1ccc(OC)c2c1CN(Cc1cc(F)ccc1[O-])C[C@@H]2O ZINC000179890326 473750040 /nfs/dbraw/zinc/75/00/40/473750040.db2.gz KLHUTXKUUWULJK-HNNXBMFYSA-N -1 3 333.359 2.598 20 10 EFCDHM O=C(c1ccccc1)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179937475 473758327 /nfs/dbraw/zinc/75/83/27/473758327.db2.gz WXMFOZFSKFATLL-UHFFFAOYSA-N -1 3 328.387 2.879 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)c([O-])c1O ZINC000274323726 473782207 /nfs/dbraw/zinc/78/22/07/473782207.db2.gz DHCUGJZDESFRFP-ZDUSSCGKSA-N -1 3 335.400 2.600 20 10 EFCDHM COc1ccnc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)c1 ZINC000180047331 473785462 /nfs/dbraw/zinc/78/54/62/473785462.db2.gz KDNWDYADLDJWHY-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000187098475 473817609 /nfs/dbraw/zinc/81/76/09/473817609.db2.gz PEUBVDXYMDJBHE-OAHLLOKOSA-N -1 3 326.396 2.839 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1C ZINC000188109508 473985305 /nfs/dbraw/zinc/98/53/05/473985305.db2.gz JNXMCGNWZLHKCN-MFKMUULPSA-N -1 3 327.808 2.685 20 10 EFCDHM CCOCCOCc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000274902212 474006437 /nfs/dbraw/zinc/00/64/37/474006437.db2.gz PYYPJCZAVMALOE-UHFFFAOYSA-N -1 3 345.395 2.581 20 10 EFCDHM COC(=O)c1ccoc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264604555 474055506 /nfs/dbraw/zinc/05/55/06/474055506.db2.gz LDPFLXSMMLYYJF-HNNXBMFYSA-N -1 3 345.395 2.953 20 10 EFCDHM COC(=O)CN(Cc1cncc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000275121083 474075313 /nfs/dbraw/zinc/07/53/13/474075313.db2.gz JDGIAXIVMYPTQD-UHFFFAOYSA-N -1 3 338.766 2.755 20 10 EFCDHM CC[C@@H]1CN(Cc2c([O-])ccc3ccccc32)C[C@@H](C)S1(=O)=O ZINC000289088922 474144149 /nfs/dbraw/zinc/14/41/49/474144149.db2.gz OQSFBKABPBGMSW-UKRRQHHQSA-N -1 3 333.453 2.943 20 10 EFCDHM CC(C)n1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)nn1 ZINC000289119122 474153850 /nfs/dbraw/zinc/15/38/50/474153850.db2.gz NNHZFOPTAPLDEN-QGZVFWFLSA-N -1 3 330.432 2.746 20 10 EFCDHM CS(=O)(=O)Cc1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000264982279 474163533 /nfs/dbraw/zinc/16/35/33/474163533.db2.gz UTVUBJHFQUVCMX-UHFFFAOYSA-N -1 3 339.844 2.880 20 10 EFCDHM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2c([O-])cccc2Cl)C1 ZINC000289209915 474184154 /nfs/dbraw/zinc/18/41/54/474184154.db2.gz BXNKQJYSIHJLLG-CYBMUJFWSA-N -1 3 337.725 2.973 20 10 EFCDHM CCCOc1ccc(CN2C[C@H](C)[S@](=O)[C@@H](CC)C2)c([O-])c1 ZINC000289209964 474184613 /nfs/dbraw/zinc/18/46/13/474184613.db2.gz BXUKXTXYTHNMBQ-ODIUBACGSA-N -1 3 325.474 2.912 20 10 EFCDHM COc1c([O-])c(CN2C[C@H](OC)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000282783286 474192782 /nfs/dbraw/zinc/19/27/82/474192782.db2.gz QMCKWHCNCISFAM-CQSZACIVSA-N -1 3 344.367 2.887 20 10 EFCDHM Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c([O-])c1O ZINC000182980182 474301109 /nfs/dbraw/zinc/30/11/09/474301109.db2.gz OUKCKRRIQWHGOD-QGZVFWFLSA-N -1 3 341.407 2.820 20 10 EFCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([O-])c1O ZINC000182990879 474302886 /nfs/dbraw/zinc/30/28/86/474302886.db2.gz YBBRZPKJKKRYDI-RHSMWYFYSA-N -1 3 349.333 2.944 20 10 EFCDHM COCc1nc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])cs1 ZINC000289661776 474365984 /nfs/dbraw/zinc/36/59/84/474365984.db2.gz GTYBONKAZZRHNL-SNVBAGLBSA-N -1 3 336.413 2.633 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@@H](C)[S@@]1=O ZINC000289706573 474387623 /nfs/dbraw/zinc/38/76/23/474387623.db2.gz OUOCVIZEYYASLO-HWBVIDEXSA-N -1 3 331.865 2.786 20 10 EFCDHM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000189509458 474424540 /nfs/dbraw/zinc/42/45/40/474424540.db2.gz IZYDDULGGLQKNL-IBGZPJMESA-N -1 3 329.396 2.901 20 10 EFCDHM C[C@H](O)c1ncc(CNCc2cccc(Br)c2[O-])s1 ZINC000289809463 474436891 /nfs/dbraw/zinc/43/68/91/474436891.db2.gz SRGWTEIRNGZSRT-QMMMGPOBSA-N -1 3 343.246 2.954 20 10 EFCDHM Cc1cc(Br)cc(CN2CCC[C@](F)(CO)C2)c1[O-] ZINC000289934166 474493132 /nfs/dbraw/zinc/49/31/32/474493132.db2.gz WPNFYCZZGMGULZ-CQSZACIVSA-N -1 3 332.213 2.760 20 10 EFCDHM Cc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])N2CCCC2)o1 ZINC000276515361 474564775 /nfs/dbraw/zinc/56/47/75/474564775.db2.gz BUGDRKNXCUASOK-CYBMUJFWSA-N -1 3 348.374 2.705 20 10 EFCDHM C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(F)c(F)c1[O-] ZINC000276889372 474573807 /nfs/dbraw/zinc/57/38/07/474573807.db2.gz HJSSFXDKZMGYRU-GFCCVEGCSA-N -1 3 349.381 2.753 20 10 EFCDHM COc1cc(Cl)cc(CN2CCNC(=O)[C@H]2c2ccccc2)c1[O-] ZINC000184684993 474583398 /nfs/dbraw/zinc/58/33/98/474583398.db2.gz YCIZHDMCLIYMIE-MRXNPFEDSA-N -1 3 346.814 2.727 20 10 EFCDHM COc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2ccccc2)c1[O-] ZINC000184684974 474583684 /nfs/dbraw/zinc/58/36/84/474583684.db2.gz YCIZHDMCLIYMIE-INIZCTEOSA-N -1 3 346.814 2.727 20 10 EFCDHM CCOC(=O)N1CCCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184685284 474583829 /nfs/dbraw/zinc/58/38/29/474583829.db2.gz FHDODAFHPFVEJX-UHFFFAOYSA-N -1 3 342.823 2.718 20 10 EFCDHM COc1cc(Cl)cc(CN(CCCO)CC(F)(F)F)c1[O-] ZINC000184688176 474584520 /nfs/dbraw/zinc/58/45/20/474584520.db2.gz LXGYAHSDUQWMNK-UHFFFAOYSA-N -1 3 327.730 2.801 20 10 EFCDHM COCCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278328179 474610906 /nfs/dbraw/zinc/61/09/06/474610906.db2.gz YYJZJNVPTGBQPR-UHFFFAOYSA-N -1 3 346.383 2.958 20 10 EFCDHM CC[C@H](C)c1nnc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])[nH]1 ZINC000278372382 474624535 /nfs/dbraw/zinc/62/45/35/474624535.db2.gz KUTVYJXNXAWCFY-UWVGGRQHSA-N -1 3 349.391 2.791 20 10 EFCDHM CC[C@H](C)c1nc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])n[nH]1 ZINC000278372382 474624541 /nfs/dbraw/zinc/62/45/41/474624541.db2.gz KUTVYJXNXAWCFY-UWVGGRQHSA-N -1 3 349.391 2.791 20 10 EFCDHM Cc1ccc(C(=O)N2CC[C@@H](COc3ccccc3)C2)c([O-])c1O ZINC000273015992 474671826 /nfs/dbraw/zinc/67/18/26/474671826.db2.gz QRKOQLHAKIYJAS-CQSZACIVSA-N -1 3 327.380 2.947 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@]2(C)OCCc3sccc32)c([O-])c1O ZINC000291891178 474736973 /nfs/dbraw/zinc/73/69/73/474736973.db2.gz JPGPLAXRFLWGNN-QGZVFWFLSA-N -1 3 333.409 2.686 20 10 EFCDHM CC(C)(C)c1nnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)[nH]1 ZINC000292979726 474746394 /nfs/dbraw/zinc/74/63/94/474746394.db2.gz QVXHEPAEQKPBLW-OAHLLOKOSA-N -1 3 344.459 2.989 20 10 EFCDHM CC(C)(C)c1nnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)[nH]1 ZINC000292979716 474746711 /nfs/dbraw/zinc/74/67/11/474746711.db2.gz QVXHEPAEQKPBLW-HNNXBMFYSA-N -1 3 344.459 2.989 20 10 EFCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278675529 474770017 /nfs/dbraw/zinc/77/00/17/474770017.db2.gz JMTCZLAHIYTGOB-SDBXPKJASA-N -1 3 330.215 2.817 20 10 EFCDHM COCCOc1ncccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273422030 474890230 /nfs/dbraw/zinc/89/02/30/474890230.db2.gz SJISAXFVKXSMOU-GFCCVEGCSA-N -1 3 347.371 2.571 20 10 EFCDHM COc1c([O-])c(CN(C)Cc2cc(Cl)cn2C)ccc1[N+](=O)[O-] ZINC000278950211 474937662 /nfs/dbraw/zinc/93/76/62/474937662.db2.gz ZGLQSAZDSGYAAI-UHFFFAOYSA-N -1 3 339.779 2.933 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@H](Oc3ncccc3F)C2)c([O-])c1O ZINC000279155194 474962501 /nfs/dbraw/zinc/96/25/01/474962501.db2.gz AUYPMCUZVDFDRZ-LBPRGKRZSA-N -1 3 346.358 2.624 20 10 EFCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)cc2nn[n-]c21 ZINC000279232681 474967526 /nfs/dbraw/zinc/96/75/26/474967526.db2.gz QLGKAHAHVBXTGH-UHFFFAOYSA-N -1 3 339.374 2.627 20 10 EFCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)cc2[n-]nnc21 ZINC000279232681 474967535 /nfs/dbraw/zinc/96/75/35/474967535.db2.gz QLGKAHAHVBXTGH-UHFFFAOYSA-N -1 3 339.374 2.627 20 10 EFCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000279232681 474967540 /nfs/dbraw/zinc/96/75/40/474967540.db2.gz QLGKAHAHVBXTGH-UHFFFAOYSA-N -1 3 339.374 2.627 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(OC)c(O)c2)c1 ZINC000273584418 474976382 /nfs/dbraw/zinc/97/63/82/474976382.db2.gz NKBQGKAWRPCQQS-NSHDSACASA-N -1 3 331.368 2.744 20 10 EFCDHM C[C@@H](N[C@@H](C)c1nncn1C)c1cc(Br)ccc1[O-] ZINC000273614681 474990753 /nfs/dbraw/zinc/99/07/53/474990753.db2.gz WZWRDVAEBKIUOB-BDAKNGLRSA-N -1 3 325.210 2.695 20 10 EFCDHM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000279824335 474994123 /nfs/dbraw/zinc/99/41/23/474994123.db2.gz MMXPIKGOJLRITM-APPDUMDISA-N -1 3 331.368 2.612 20 10 EFCDHM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000279824345 474994177 /nfs/dbraw/zinc/99/41/77/474994177.db2.gz MMXPIKGOJLRITM-GTNSWQLSSA-N -1 3 331.368 2.612 20 10 EFCDHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(O)c1[O-] ZINC000279846452 474995417 /nfs/dbraw/zinc/99/54/17/474995417.db2.gz DUNCNCZGYUBMSO-CQSZACIVSA-N -1 3 329.352 2.908 20 10 EFCDHM CC(C)(C)OC(=O)C1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000279870829 474996735 /nfs/dbraw/zinc/99/67/35/474996735.db2.gz QQYYDFAJRWYBAA-UHFFFAOYSA-N -1 3 335.400 2.728 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC(C)(C)O ZINC000280291228 475018309 /nfs/dbraw/zinc/01/83/09/475018309.db2.gz GOVPDMBHTLNKRV-UHFFFAOYSA-N -1 3 330.222 2.664 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](OC)C1CC1 ZINC000280361509 475022184 /nfs/dbraw/zinc/02/21/84/475022184.db2.gz LHUVDKKLWRKSHX-CQSZACIVSA-N -1 3 342.233 2.928 20 10 EFCDHM COc1coc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cc1=O ZINC000268514581 475024795 /nfs/dbraw/zinc/02/47/95/475024795.db2.gz DFAFSJMIJCHLGS-OAHLLOKOSA-N -1 3 345.395 2.535 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000273734749 475034062 /nfs/dbraw/zinc/03/40/62/475034062.db2.gz KZNRVPAEQUEVRK-MFKMUULPSA-N -1 3 339.741 2.942 20 10 EFCDHM Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)c([O-])c1O ZINC000293819416 475053615 /nfs/dbraw/zinc/05/36/15/475053615.db2.gz UWWRMKSMFOCUTN-SNVBAGLBSA-N -1 3 333.306 2.588 20 10 EFCDHM CCCOc1ccc(CN[C@@H](c2nccn2C)C(C)(C)CO)c([O-])c1 ZINC000295078560 475101849 /nfs/dbraw/zinc/10/18/49/475101849.db2.gz QBWIPDKDGDRXPK-KRWDZBQOSA-N -1 3 347.459 2.764 20 10 EFCDHM COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2[O-])c2ccccc21 ZINC000369909531 476584363 /nfs/dbraw/zinc/58/43/63/476584363.db2.gz DBTNHTIUOJWPTO-CABCVRRESA-N -1 3 341.363 2.538 20 10 EFCDHM O=C([C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1)N1CCCC1 ZINC000377849811 476612579 /nfs/dbraw/zinc/61/25/79/476612579.db2.gz AOQRLEVXYZOIKO-LLVKDONJSA-N -1 3 326.799 2.629 20 10 EFCDHM Cc1ccc(C(=O)NCc2ccccc2-c2cnn(C)c2)c([O-])c1O ZINC000378564352 476720921 /nfs/dbraw/zinc/72/09/21/476720921.db2.gz OAKVPJYYOJVUBR-UHFFFAOYSA-N -1 3 337.379 2.737 20 10 EFCDHM COC(=O)C[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])c2ccccc21 ZINC000371582407 477396865 /nfs/dbraw/zinc/39/68/65/477396865.db2.gz JVYIJNKNQOREOE-LBPRGKRZSA-N -1 3 341.363 2.713 20 10 EFCDHM O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(O)c1[O-] ZINC000377045723 477617377 /nfs/dbraw/zinc/61/73/77/477617377.db2.gz KKZGNFKBZORTRU-UHFFFAOYSA-N -1 3 345.742 2.731 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCOC3(CCOCC3)CC2)c1[O-] ZINC000372205091 477692766 /nfs/dbraw/zinc/69/27/66/477692766.db2.gz MEZLWGTVIZTXDM-UHFFFAOYSA-N -1 3 337.391 2.505 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[C@H](n3cncn3)C2)c1[O-] ZINC000377278736 477721948 /nfs/dbraw/zinc/72/19/48/477721948.db2.gz QZHNXMVAKYWODY-ZDUSSCGKSA-N -1 3 337.221 2.502 20 10 EFCDHM COc1cc(Br)cc(CN2CC([C@H]3CCOC3)C2)c1[O-] ZINC000368441241 477806550 /nfs/dbraw/zinc/80/65/50/477806550.db2.gz KVULZMIXOTUPBA-JTQLQIEISA-N -1 3 342.233 2.632 20 10 EFCDHM COc1ccc([C@H](NC(=O)c2ccc(C)c(O)c2[O-])C2CC2)cn1 ZINC000530254275 477879876 /nfs/dbraw/zinc/87/98/76/477879876.db2.gz XYECMNQUZZDXTR-OAHLLOKOSA-N -1 3 328.368 2.691 20 10 EFCDHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000177677541 528059937 /nfs/dbraw/zinc/05/99/37/528059937.db2.gz OOXBQMDWJUBMOG-UONOGXRCSA-N -1 3 348.443 2.563 20 10 EFCDHM CCCN(CCNC(=O)c1cc([O-])cs1)C(=O)OC(C)(C)C ZINC000754499103 575442837 /nfs/dbraw/zinc/44/28/37/575442837.db2.gz LXOADHWBLGAFOY-UHFFFAOYSA-N -1 3 328.434 2.831 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@]1(C)CCOC1 ZINC000755492753 575591185 /nfs/dbraw/zinc/59/11/85/575591185.db2.gz JVCIEDMZCQZGFZ-HNNXBMFYSA-N -1 3 342.233 2.930 20 10 EFCDHM CCCNC(=O)CN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756354999 575722351 /nfs/dbraw/zinc/72/23/51/575722351.db2.gz FBHLMPURCHOIAA-QMMMGPOBSA-N -1 3 349.656 2.985 20 10 EFCDHM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000756360476 575722889 /nfs/dbraw/zinc/72/28/89/575722889.db2.gz HNVMFQORFDSGEY-MRXNPFEDSA-N -1 3 332.425 2.500 20 10 EFCDHM COc1ccc([C@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])cc1F ZINC000756367763 575724434 /nfs/dbraw/zinc/72/44/34/575724434.db2.gz WKHBFBTXTQPNBP-KRWDZBQOSA-N -1 3 332.375 2.816 20 10 EFCDHM C[C@H](NCc1ccc(NC(N)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756393843 575729904 /nfs/dbraw/zinc/72/99/04/575729904.db2.gz VHSJGVPIYHKPQF-JTQLQIEISA-N -1 3 330.344 2.642 20 10 EFCDHM C[C@H](NC[C@@H](O)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756449140 575741465 /nfs/dbraw/zinc/74/14/65/575741465.db2.gz ITGKMFPDVFCISG-SSDLBLMSSA-N -1 3 346.118 2.868 20 10 EFCDHM C[C@@H]1C[C@@H](NCc2nnnn2-c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756491153 575748120 /nfs/dbraw/zinc/74/81/20/575748120.db2.gz UBYRUPSIGMXNMS-BXUZGUMPSA-N -1 3 339.374 2.845 20 10 EFCDHM C[C@@H](N[C@H]1CCCN(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756636592 575771381 /nfs/dbraw/zinc/77/13/81/575771381.db2.gz FHMBVGTWUQXMII-PELKAZGASA-N -1 3 345.212 2.565 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC000756711084 575779808 /nfs/dbraw/zinc/77/98/08/575779808.db2.gz IGYCKRFCMFHETK-BZNIZROVSA-N -1 3 333.359 2.702 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CO)c2ccccc2OC)c1 ZINC000756711097 575779902 /nfs/dbraw/zinc/77/99/02/575779902.db2.gz IOJRWNZHJDQIGV-WBMJQRKESA-N -1 3 345.395 2.572 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CO)c2cccc(F)c2)c1 ZINC000756711037 575779960 /nfs/dbraw/zinc/77/99/60/575779960.db2.gz HKENUYUFNGGNIK-MEDUHNTESA-N -1 3 333.359 2.702 20 10 EFCDHM C[C@@H](NCC1(C)OCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756779873 575786092 /nfs/dbraw/zinc/78/60/92/575786092.db2.gz NDFRXAGEKSMEEA-MRVPVSSYSA-N -1 3 334.185 2.707 20 10 EFCDHM C[C@@H](Nc1cnn(CCO)c1)c1cc(Br)ccc1[O-] ZINC000756856518 575793654 /nfs/dbraw/zinc/79/36/54/575793654.db2.gz RJDPVTNPPJLVAH-SECBINFHSA-N -1 3 326.194 2.517 20 10 EFCDHM COc1ccc(O)c([C@@H](C)[N-]C(=O)C(F)(F)c2nccs2)c1 ZINC000756862410 575794218 /nfs/dbraw/zinc/79/42/18/575794218.db2.gz OVSSTSYYHAFAFI-MRVPVSSYSA-N -1 3 328.340 2.827 20 10 EFCDHM O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1cc([O-])cs1 ZINC000757425570 575839185 /nfs/dbraw/zinc/83/91/85/575839185.db2.gz OBYYRQRHNDSWBS-UHFFFAOYSA-N -1 3 343.307 2.714 20 10 EFCDHM CCN(C(=O)c1cc([O-])cs1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000760131290 575983116 /nfs/dbraw/zinc/98/31/16/575983116.db2.gz LOKGEDHNAOBBTB-CQSZACIVSA-N -1 3 330.409 2.721 20 10 EFCDHM O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cc([O-])cs1 ZINC000760842416 576080204 /nfs/dbraw/zinc/08/02/04/576080204.db2.gz XZNIXQLETVDFIP-UHFFFAOYSA-N -1 3 337.364 2.835 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCc1ccco1 ZINC000760954376 576093396 /nfs/dbraw/zinc/09/33/96/576093396.db2.gz YBHPDPPVCDERFZ-UHFFFAOYSA-N -1 3 334.759 2.646 20 10 EFCDHM Cc1occc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761152333 576121702 /nfs/dbraw/zinc/12/17/02/576121702.db2.gz XODAGIFOYUNFDX-UHFFFAOYSA-N -1 3 334.759 2.911 20 10 EFCDHM COC(=O)[C@H]1CCCCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000761217474 576131177 /nfs/dbraw/zinc/13/11/77/576131177.db2.gz VTKCLMPEOGYPMF-CYBMUJFWSA-N -1 3 327.808 2.972 20 10 EFCDHM COc1cc(Br)cc(CNCc2ccc(F)cn2)c1[O-] ZINC000763519573 576379956 /nfs/dbraw/zinc/37/99/56/576379956.db2.gz UHGRNKVOMOSMBO-UHFFFAOYSA-N -1 3 341.180 2.987 20 10 EFCDHM C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765770884 577074720 /nfs/dbraw/zinc/07/47/20/577074720.db2.gz RUZCMJSARLUVQO-GHMZBOCLSA-N -1 3 341.249 2.644 20 10 EFCDHM COC(=O)C=Cc1ccc(OCCOC(=O)c2cc([O-])cs2)cc1 ZINC000767537578 577212328 /nfs/dbraw/zinc/21/23/28/577212328.db2.gz NDRPNWRLNZGTDK-DAXSKMNVSA-N -1 3 348.376 2.876 20 10 EFCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccccc2Cn2ccnc2)c1 ZINC000725845070 577246273 /nfs/dbraw/zinc/24/62/73/577246273.db2.gz IMNJCKNTXYQACX-UHFFFAOYSA-N -1 3 338.367 2.835 20 10 EFCDHM CN(C)C(=O)C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000725846267 577247040 /nfs/dbraw/zinc/24/70/40/577247040.db2.gz APXQCXZWLOMIRU-MRXNPFEDSA-N -1 3 343.383 2.610 20 10 EFCDHM COc1cccc([O-])c1CN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768161761 577258752 /nfs/dbraw/zinc/25/87/52/577258752.db2.gz ZVRXJWIHDYVLDQ-UHFFFAOYSA-N -1 3 325.368 2.682 20 10 EFCDHM [O-]c1cc2c(cc1CN(CC1CCC1)CC(F)(F)F)[C@@H](O)CO2 ZINC000768463059 577275872 /nfs/dbraw/zinc/27/58/72/577275872.db2.gz FNGOGGYGVUPWNO-AWEZNQCLSA-N -1 3 331.334 2.982 20 10 EFCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H](c2ccsc2)O1 ZINC000768462586 577275960 /nfs/dbraw/zinc/27/59/60/577275960.db2.gz ALJYHTJRILSUIC-XNAIMREJSA-N -1 3 347.436 2.842 20 10 EFCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H](c2ccccc2)CO1 ZINC000768467105 577276526 /nfs/dbraw/zinc/27/65/26/577276526.db2.gz YUCZAYBEBFGTKF-FMEYXAORSA-N -1 3 341.407 2.780 20 10 EFCDHM Cc1ccc(C(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)c([O-])c1O ZINC000768610652 577288657 /nfs/dbraw/zinc/28/86/57/577288657.db2.gz DWVOPVSNYDKODG-HNNXBMFYSA-N -1 3 347.333 2.572 20 10 EFCDHM CCOc1ccc(CN(CCO)Cc2ccccc2OC)c([O-])c1 ZINC000768761773 577299395 /nfs/dbraw/zinc/29/93/95/577299395.db2.gz MFJZBNAZAQAXCV-UHFFFAOYSA-N -1 3 331.412 2.794 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000768992356 577322876 /nfs/dbraw/zinc/32/28/76/577322876.db2.gz MFMKKNGZQCWWAW-UHFFFAOYSA-N -1 3 346.452 2.729 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](n3ccnc3)C2)c1[O-] ZINC000769313353 577351177 /nfs/dbraw/zinc/35/11/77/577351177.db2.gz SVGPACASKYVUIU-ZDUSSCGKSA-N -1 3 336.779 2.987 20 10 EFCDHM CCN1C[C@@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769464805 577364073 /nfs/dbraw/zinc/36/40/73/577364073.db2.gz APMJOHCHGOCEGV-GHMZBOCLSA-N -1 3 327.812 2.868 20 10 EFCDHM CCN1C[C@@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769464811 577364063 /nfs/dbraw/zinc/36/40/63/577364063.db2.gz APMJOHCHGOCEGV-WDEREUQCSA-N -1 3 327.812 2.868 20 10 EFCDHM CCC[C@@H]1CN(Cc2c([O-])cccc2Cl)CCN1CCOC ZINC000770284476 577409911 /nfs/dbraw/zinc/40/99/11/577409911.db2.gz RLVUDTKUNDPXLD-CQSZACIVSA-N -1 3 326.868 2.978 20 10 EFCDHM CC(C)C[C@H](NC(=O)c1cc([O-])cs1)C(=O)Nc1nccs1 ZINC000770412699 577416569 /nfs/dbraw/zinc/41/65/69/577416569.db2.gz UIYKSLUJEJHUNN-JTQLQIEISA-N -1 3 339.442 2.693 20 10 EFCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cncc(F)c1 ZINC000726973585 577426900 /nfs/dbraw/zinc/42/69/00/577426900.db2.gz ANBMLKDVUOFPJN-UHFFFAOYSA-N -1 3 349.431 2.690 20 10 EFCDHM COc1c([O-])c([C@H]2Nc3ccccc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000772174513 581292069 /nfs/dbraw/zinc/29/20/69/581292069.db2.gz CJFQTEGQLGTRBW-HNNXBMFYSA-N -1 3 329.312 2.505 20 10 EFCDHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773084889 581395298 /nfs/dbraw/zinc/39/52/98/581395298.db2.gz UHRPPKXJGZPPKM-JTQLQIEISA-N -1 3 339.486 2.865 20 10 EFCDHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(=O)[n-]1 ZINC000773991690 581477392 /nfs/dbraw/zinc/47/73/92/581477392.db2.gz ZXYISQMIIISCJQ-GFCCVEGCSA-N -1 3 342.443 2.675 20 10 EFCDHM C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000774266599 581488444 /nfs/dbraw/zinc/48/84/44/581488444.db2.gz REMOAPHNAQGJON-HTQZYQBOSA-N -1 3 326.245 2.783 20 10 EFCDHM COc1c([O-])c(CN(Cc2ccccc2)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000774839868 581502040 /nfs/dbraw/zinc/50/20/40/581502040.db2.gz FOQONRGGKBFFOX-ZDUSSCGKSA-N -1 3 346.383 2.692 20 10 EFCDHM COc1c([O-])c(CN2CCOc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000774845578 581502196 /nfs/dbraw/zinc/50/21/96/581502196.db2.gz IJOKFCIPICGAIC-UHFFFAOYSA-N -1 3 330.340 2.704 20 10 EFCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000774913605 581504068 /nfs/dbraw/zinc/50/40/68/581504068.db2.gz FXULEDDUGDTPOY-UHFFFAOYSA-N -1 3 334.328 2.938 20 10 EFCDHM COc1ccc(C)cc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774946273 581504880 /nfs/dbraw/zinc/50/48/80/581504880.db2.gz ALJAAIBYJNNJPU-UHFFFAOYSA-N -1 3 332.356 2.916 20 10 EFCDHM COc1c([O-])c(CNCc2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000774963376 581505278 /nfs/dbraw/zinc/50/52/78/581505278.db2.gz PJSGFHGANOKLFQ-UHFFFAOYSA-N -1 3 345.355 2.557 20 10 EFCDHM COc1cc(Br)cc(C[NH2+]CCCCC(=O)[O-])c1[O-] ZINC000820754421 598166199 /nfs/dbraw/zinc/16/61/99/598166199.db2.gz BQPUPERBTJGRPO-UHFFFAOYSA-N -1 3 332.194 2.508 20 10 EFCDHM CC(C)(C)c1cc(O)c(O)c(CN2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000736294203 600704809 /nfs/dbraw/zinc/70/48/09/600704809.db2.gz KPUOMAUJAXPPGR-ZDUSSCGKSA-N -1 3 339.457 2.787 20 10 EFCDHM O=C([O-])c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000833315522 601603267 /nfs/dbraw/zinc/60/32/67/601603267.db2.gz YCRHEKGNJAGNNE-AWEZNQCLSA-N -1 3 331.368 2.865 20 10 EFCDHM CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c([O-])c1 ZINC000830075477 604466890 /nfs/dbraw/zinc/46/68/90/604466890.db2.gz XGJMSXBHDWFXKB-KRWDZBQOSA-N -1 3 327.380 2.802 20 10 EFCDHM CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c([O-])c1 ZINC000830075477 604466891 /nfs/dbraw/zinc/46/68/91/604466891.db2.gz XGJMSXBHDWFXKB-KRWDZBQOSA-N -1 3 327.380 2.802 20 10 EFCDHM O=C([O-])[C@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000833771117 604763151 /nfs/dbraw/zinc/76/31/51/604763151.db2.gz VUXCSNKAGYEUFC-LJQANCHMSA-N -1 3 341.407 2.717 20 10 EFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1O ZINC000825631817 609476807 /nfs/dbraw/zinc/47/68/07/609476807.db2.gz GNEQUUGYDOSOQR-UHFFFAOYSA-N -1 3 329.335 2.722 20 10 EFCDHM CC[C@H](NCc1nc(C(N)=O)cs1)c1cc(Cl)ccc1[O-] ZINC000850539707 1250528105 /nfs/dbraw/zinc/52/81/05/1250528105.db2.gz FNUUKOLTERIWIT-JTQLQIEISA-N -1 3 325.821 2.842 20 10 EFCDHM CN(C)c1ccnc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000922479495 1266115856 /nfs/dbraw/zinc/11/58/56/1266115856.db2.gz WUJSWAKCIFAPEC-UHFFFAOYSA-N -1 3 336.779 2.705 20 10 EFCDHM NC(=O)C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708074381 1259577609 /nfs/dbraw/zinc/57/76/09/1259577609.db2.gz BEDSBPNDIVXHIX-QMMMGPOBSA-N -1 3 347.640 2.505 20 10 EFCDHM CN(CC(=O)OC(C)(C)C)Cc1ccc(Br)cc1[O-] ZINC000824650475 1278215700 /nfs/dbraw/zinc/21/57/00/1278215700.db2.gz QJVDSIXGPZOJGW-UHFFFAOYSA-N -1 3 330.222 2.928 20 10 EFCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1C ZINC000745979621 1271709566 /nfs/dbraw/zinc/70/95/66/1271709566.db2.gz YDSWBANNCMHDRQ-UHFFFAOYSA-N -1 3 335.381 2.596 20 10 EFCDHM C[C@@H](C[C@H](C)NC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000843936925 1278688585 /nfs/dbraw/zinc/68/85/85/1278688585.db2.gz TWKGKAHVFCCLJM-QWRGUYRKSA-N -1 3 338.404 2.519 20 10 EFCDHM COCCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000792553415 1278851388 /nfs/dbraw/zinc/85/13/88/1278851388.db2.gz VBOFEGKFGJNATD-HNNXBMFYSA-N -1 3 329.396 2.866 20 10 EFCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])Oc1cc(F)cc(F)c1 ZINC000804141642 1274569732 /nfs/dbraw/zinc/56/97/32/1274569732.db2.gz ZOUYWMPQCIHZIC-UHFFFAOYSA-N -1 3 337.322 2.963 20 10 EFCDHM C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(F)cc(F)c1[O-] ZINC000786964582 1275592335 /nfs/dbraw/zinc/59/23/35/1275592335.db2.gz ZECXURHDFJZADC-QMMMGPOBSA-N -1 3 347.408 2.986 20 10 EFCDHM COc1cccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c1O ZINC000787131291 1275675173 /nfs/dbraw/zinc/67/51/73/1275675173.db2.gz MHKONELERGJQLT-UHFFFAOYSA-N -1 3 333.359 2.885 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H]1C ZINC000787326814 1275757605 /nfs/dbraw/zinc/75/76/05/1275757605.db2.gz KDRLTYKOYUFKRF-RNCFNFMXSA-N -1 3 325.792 2.632 20 10 EFCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H]1C ZINC000787326815 1275758313 /nfs/dbraw/zinc/75/83/13/1275758313.db2.gz KDRLTYKOYUFKRF-TVQRCGJNSA-N -1 3 325.792 2.632 20 10 EFCDHM CN1CCCC[C@H]1c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC001170316697 1279009260 /nfs/dbraw/zinc/00/92/60/1279009260.db2.gz YXXXLBYMSOLGBG-HNNXBMFYSA-N -1 3 341.411 2.944 20 10 EFCDHM CCn1nc(C)c(CN[C@H](C)c2ccc(Br)cc2[O-])n1 ZINC000818344902 1276511005 /nfs/dbraw/zinc/51/10/05/1276511005.db2.gz HWTYUUYGIOXJTF-SECBINFHSA-N -1 3 339.237 2.925 20 10 EFCDHM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cccc(O)c1[O-] ZINC000187099561 1276981702 /nfs/dbraw/zinc/98/17/02/1276981702.db2.gz BNZXCSQJUPLBQJ-CYBMUJFWSA-N -1 3 330.359 2.636 20 10 EFCDHM O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(O)c1[O-] ZINC000790514468 1277624535 /nfs/dbraw/zinc/62/45/35/1277624535.db2.gz VAQFOIUDRXQWMQ-UHFFFAOYSA-N -1 3 327.365 2.792 20 10 EFCDHM CCOC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC000790570624 1277653988 /nfs/dbraw/zinc/65/39/88/1277653988.db2.gz DRJSVKIERFGFRQ-CQSZACIVSA-N -1 3 347.342 2.661 20 10 EFCDHM Cc1noc(COc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC000790716389 1277739539 /nfs/dbraw/zinc/73/95/39/1277739539.db2.gz BZFAKXARWCKQHN-UHFFFAOYSA-N -1 3 341.323 2.621 20 10 EFCDHM COC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC000790858611 1277790267 /nfs/dbraw/zinc/79/02/67/1277790267.db2.gz ZTUDMOPHTSYVAI-ZDUSSCGKSA-N -1 3 349.770 2.785 20 10 EFCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1c(F)cccc1F ZINC000790919956 1277845139 /nfs/dbraw/zinc/84/51/39/1277845139.db2.gz WQDDKPJJWFHZFK-WBMJQRKESA-N -1 3 337.322 2.618 20 10 EFCDHM Cn1c(CNC(=O)c2cccc(O)c2[O-])nc2cccc(Cl)c21 ZINC000790936433 1277856320 /nfs/dbraw/zinc/85/63/20/1277856320.db2.gz CGOLUIHXYQHSAP-UHFFFAOYSA-N -1 3 331.759 2.568 20 10 EFCDHM COCCOc1ncccc1CNCc1c([O-])ccc(Cl)c1F ZINC000790948654 1277871536 /nfs/dbraw/zinc/87/15/36/1277871536.db2.gz HATSHOPGHCKAJL-UHFFFAOYSA-N -1 3 340.782 2.895 20 10 EFCDHM CCOc1ccc2c(c1)[C@H](NC(=O)c1cccc(O)c1[O-])CCO2 ZINC000790939488 1277888567 /nfs/dbraw/zinc/88/85/67/1277888567.db2.gz CCTUCDGTNVACIA-CQSZACIVSA-N -1 3 329.352 2.750 20 10 EFCDHM C[C@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])[C@@H]1CO ZINC001144298324 1279385663 /nfs/dbraw/zinc/38/56/63/1279385663.db2.gz BKDZWMAUOHULIF-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CC[C@H](CO)CN1Cc1cc(Br)c(F)cc1[O-] ZINC001144299149 1279386869 /nfs/dbraw/zinc/38/68/69/1279386869.db2.gz QKMCUOCROFXNPV-ZJUUUORDSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC001144306580 1279403395 /nfs/dbraw/zinc/40/33/95/1279403395.db2.gz HTJDVYXZPUKUCJ-OTYXRUKQSA-N -1 3 330.197 2.905 20 10 EFCDHM CCC[C@@]1(C)CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846248976 1280085632 /nfs/dbraw/zinc/08/56/32/1280085632.db2.gz KPUVZTDMAYSKIA-KRWDZBQOSA-N -1 3 332.404 2.535 20 10 EFCDHM COc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c(O)c1 ZINC000794377260 1280160471 /nfs/dbraw/zinc/16/04/71/1280160471.db2.gz QNQUHOKHLHQUIS-UHFFFAOYSA-N -1 3 333.359 2.885 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc[nH]c(=O)c1 ZINC001146908489 1281067554 /nfs/dbraw/zinc/06/75/54/1281067554.db2.gz JUNYYBAYIVQVOO-UHFFFAOYSA-N -1 3 329.743 2.624 20 10 EFCDHM COC(=O)c1cccc2nc(NC(=O)c3cccc(O)c3[O-])sc21 ZINC001148213149 1281453677 /nfs/dbraw/zinc/45/36/77/1281453677.db2.gz XZKHAIJWFGFTOA-UHFFFAOYSA-N -1 3 344.348 2.746 20 10 EFCDHM COc1ccc(-c2cc(NC(=O)c3cccc(O)c3[O-])n(C)n2)cc1 ZINC001148212697 1281454145 /nfs/dbraw/zinc/45/41/45/1281454145.db2.gz GIWZQBZVOTXXTB-UHFFFAOYSA-N -1 3 339.351 2.759 20 10 EFCDHM C[C@H]1CCc2sc(NC(=O)c3cccc(O)c3[O-])c(C(N)=O)c2C1 ZINC001148211930 1281454583 /nfs/dbraw/zinc/45/45/83/1281454583.db2.gz CYGUOWQLBXZNDH-QMMMGPOBSA-N -1 3 346.408 2.635 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001148219139 1281456933 /nfs/dbraw/zinc/45/69/33/1281456933.db2.gz UYBJZAHNTSBPKO-GFCCVEGCSA-N -1 3 327.262 2.595 20 10 EFCDHM COC(=O)c1cnc2ccc(NC(=O)c3cccc(O)c3[O-])cc2c1 ZINC001148219064 1281457032 /nfs/dbraw/zinc/45/70/32/1281457032.db2.gz QPFQXBHWEIELKY-UHFFFAOYSA-N -1 3 338.319 2.685 20 10 EFCDHM O=C(NCc1ccccc1OC1CCOCC1)c1cccc(O)c1[O-] ZINC001148224840 1281460308 /nfs/dbraw/zinc/46/03/08/1281460308.db2.gz WLCVJJIXWXHPTG-UHFFFAOYSA-N -1 3 343.379 2.586 20 10 EFCDHM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1noc2ccccc12 ZINC000808095394 1281535650 /nfs/dbraw/zinc/53/56/50/1281535650.db2.gz ZFDVTQFOMCFJNC-UHFFFAOYSA-N -1 3 331.368 2.878 20 10 EFCDHM COc1ccc2ncc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2c1 ZINC001148582106 1281659090 /nfs/dbraw/zinc/65/90/90/1281659090.db2.gz XAQOWURECFECNU-UHFFFAOYSA-N -1 3 326.308 2.613 20 10 EFCDHM O=C(NCCc1c(F)cccc1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148581196 1281659391 /nfs/dbraw/zinc/65/93/91/1281659391.db2.gz ORUWFDROZQAVIZ-UHFFFAOYSA-N -1 3 325.723 2.568 20 10 EFCDHM O=C(NCc1ccccc1OC(F)(F)F)c1cc(O)c([O-])c(O)c1 ZINC001148580152 1281659618 /nfs/dbraw/zinc/65/96/18/1281659618.db2.gz FTPBBOJDKLLIAR-UHFFFAOYSA-N -1 3 343.257 2.632 20 10 EFCDHM O=C(c1cc(O)c([O-])c(O)c1)N(Cc1ccccc1)C1CCOCC1 ZINC001148584080 1281661167 /nfs/dbraw/zinc/66/11/67/1281661167.db2.gz NHHDAXIBSUACGI-UHFFFAOYSA-N -1 3 343.379 2.625 20 10 EFCDHM O=C(Nc1ccc2ncnc(Cl)c2c1)c1cc(O)c([O-])c(O)c1 ZINC001148586891 1281662105 /nfs/dbraw/zinc/66/21/05/1281662105.db2.gz YNAUMSLOVWRZGX-UHFFFAOYSA-N -1 3 331.715 2.652 20 10 EFCDHM CCOC(=O)Nc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148586540 1281662801 /nfs/dbraw/zinc/66/28/01/1281662801.db2.gz RTEHKQBUULXHND-UHFFFAOYSA-N -1 3 332.312 2.624 20 10 EFCDHM COCC(C)(C)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000822497611 1289016730 /nfs/dbraw/zinc/01/67/30/1289016730.db2.gz HYTUEYRKMMSRAO-UHFFFAOYSA-N -1 3 330.831 2.727 20 10 EFCDHM O=C1CCCN1[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816507170 1288177843 /nfs/dbraw/zinc/17/78/43/1288177843.db2.gz YJHRLGRRUSEPCM-LBPRGKRZSA-N -1 3 326.799 2.772 20 10 EFCDHM COC(=O)C[C@@H]1CSCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514503 1288185349 /nfs/dbraw/zinc/18/53/49/1288185349.db2.gz ACFOCKZTBIMHBJ-SNVBAGLBSA-N -1 3 333.812 2.665 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000816517629 1288188537 /nfs/dbraw/zinc/18/85/37/1288188537.db2.gz XLIVXBYWHUIYQP-CYBMUJFWSA-N -1 3 329.799 2.955 20 10 EFCDHM CC[C@@H]1CN(Cc2ccc3ccccc3c2[O-])C[C@@H](C)S1(=O)=O ZINC000816609463 1288223885 /nfs/dbraw/zinc/22/38/85/1288223885.db2.gz CHONAICZEUWAGR-CZUORRHYSA-N -1 3 333.453 2.943 20 10 EFCDHM CC(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[O-] ZINC000816822883 1288290067 /nfs/dbraw/zinc/29/00/67/1288290067.db2.gz ZAMROSVDSDELMJ-UHFFFAOYSA-N -1 3 326.396 2.933 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001179560576 1289176134 /nfs/dbraw/zinc/17/61/34/1289176134.db2.gz ITLDIHBGOUIAIL-QKCSRTOESA-N -1 3 332.787 2.778 20 10 EFCDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817151999 1288442890 /nfs/dbraw/zinc/44/28/90/1288442890.db2.gz JKSJMUBNZQDRNL-UHFFFAOYSA-N -1 3 333.413 2.903 20 10 EFCDHM CC(C)C[C@@H]1C(=O)NCCN1Cc1ccc(Br)cc1[O-] ZINC000825628821 1289390515 /nfs/dbraw/zinc/39/05/15/1289390515.db2.gz KEGXZYANZVYNGL-CYBMUJFWSA-N -1 3 341.249 2.501 20 10 EFCDHM COC(=O)[C@@H]1CCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250120800 1290381774 /nfs/dbraw/zinc/38/17/74/1290381774.db2.gz QHSDMLGHNKNNES-LBPRGKRZSA-N -1 3 328.206 2.601 20 10 EFCDHM CCOCCO[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000092067480 1290636292 /nfs/dbraw/zinc/63/62/92/1290636292.db2.gz CJRJIQWXSJJVIB-ZDUSSCGKSA-N -1 3 344.249 2.782 20 10 EFCDHM [O-]c1cc(I)ccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001232975647 1312824033 /nfs/dbraw/zinc/82/40/33/1312824033.db2.gz JIBPFRZNULWVEN-ZMLRMANQSA-N -1 3 347.171 2.787 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CCC[C@H](F)C1 ZINC001232979154 1312824121 /nfs/dbraw/zinc/82/41/21/1312824121.db2.gz SYPBUYIINREJLS-JTQLQIEISA-N -1 3 335.160 2.931 20 10 EFCDHM C[C@@H]1C[C@H](F)CN1Cc1ccc(I)cc1[O-] ZINC001232975112 1312824688 /nfs/dbraw/zinc/82/46/88/1312824688.db2.gz WGDPMRRFLSIHNX-SCZZXKLOSA-N -1 3 335.160 2.929 20 10 EFCDHM CC(=O)[C@@H]1CCCN1Cc1ccc(I)cc1[O-] ZINC001232981165 1312825223 /nfs/dbraw/zinc/82/52/23/1312825223.db2.gz ZBRMRNKCLZDXCY-LBPRGKRZSA-N -1 3 345.180 2.550 20 10 EFCDHM CNC(=O)CC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093588241 1291177741 /nfs/dbraw/zinc/17/77/41/1291177741.db2.gz ARMWKEQHKGUEDK-UHFFFAOYSA-N -1 3 341.249 2.503 20 10 EFCDHM CCC(=O)N(CC)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079342 1312850551 /nfs/dbraw/zinc/85/05/51/1312850551.db2.gz ABCGMXHZERWYSE-UHFFFAOYSA-N -1 3 326.387 2.893 20 10 EFCDHM COc1cccnc1O[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079885 1312850672 /nfs/dbraw/zinc/85/06/72/1312850672.db2.gz MSBHZGCSYUAJAK-GFCCVEGCSA-N -1 3 336.338 2.727 20 10 EFCDHM COc1cccc(O[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079964 1312851037 /nfs/dbraw/zinc/85/10/37/1312851037.db2.gz OKJYQIIBSOKTBB-GFCCVEGCSA-N -1 3 336.338 2.727 20 10 EFCDHM CC(=O)N(C(C)C)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079005 1312851079 /nfs/dbraw/zinc/85/10/79/1312851079.db2.gz SBOQIRXOQBDUBI-UHFFFAOYSA-N -1 3 326.387 2.892 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@@H](F)C(=O)C2)cc1Br ZINC001233135153 1312863016 /nfs/dbraw/zinc/86/30/16/1312863016.db2.gz MNOPCGJJRBQQBL-LLVKDONJSA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@H](F)CC2)cc1Br ZINC001233135019 1312863045 /nfs/dbraw/zinc/86/30/45/1312863045.db2.gz JPTNKKYRKXSNCL-LLVKDONJSA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](F)CC2)cc1Br ZINC001233135020 1312863633 /nfs/dbraw/zinc/86/36/33/1312863633.db2.gz JPTNKKYRKXSNCL-NSHDSACASA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2CC3(CSC3)C2)cc1Br ZINC001233141175 1312864958 /nfs/dbraw/zinc/86/49/58/1312864958.db2.gz CXCHJGHJIGFBCM-UHFFFAOYSA-N -1 3 330.247 2.712 20 10 EFCDHM COc1cc([O-])c(CN2CCOCC23CCC3)cc1Br ZINC001233140297 1312865365 /nfs/dbraw/zinc/86/53/65/1312865365.db2.gz CWRAGYKJRLYFCN-UHFFFAOYSA-N -1 3 342.233 2.918 20 10 EFCDHM COc1cc([O-])c(CN2CCCC23COC3)cc1Br ZINC001233140294 1312865397 /nfs/dbraw/zinc/86/53/97/1312865397.db2.gz CUTWFPAFCRXUIZ-UHFFFAOYSA-N -1 3 328.206 2.528 20 10 EFCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)C3=O)cc1Br ZINC001233140866 1312865495 /nfs/dbraw/zinc/86/54/95/1312865495.db2.gz VNGVJHGZYAXVFC-AOOOYVTPSA-N -1 3 340.217 2.574 20 10 EFCDHM O=C(NCc1ccccc1O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189765847 1291849729 /nfs/dbraw/zinc/84/97/29/1291849729.db2.gz QABZKZQKDLDMRB-UHFFFAOYSA-N -1 3 327.258 2.926 20 10 EFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H]2C)c1 ZINC001233305864 1312899477 /nfs/dbraw/zinc/89/94/77/1312899477.db2.gz WPPHHNLMXPTBQS-VIFPVBQESA-N -1 3 328.206 2.926 20 10 EFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCCC2)c1 ZINC001233305513 1312899506 /nfs/dbraw/zinc/89/95/06/1312899506.db2.gz JOXHJQOPZZANCC-UHFFFAOYSA-N -1 3 328.206 2.927 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CCCN(c2ccc(F)cn2)CC1 ZINC001233331679 1312904669 /nfs/dbraw/zinc/90/46/69/1312904669.db2.gz GILPDGXVPGVOBK-UHFFFAOYSA-N -1 3 337.345 2.917 20 10 EFCDHM CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233332604 1312905243 /nfs/dbraw/zinc/90/52/43/1312905243.db2.gz QSVWPBHPSLZXNS-BTDLBPIBSA-N -1 3 340.370 2.769 20 10 EFCDHM CC(C)C(=O)N1CCC[C@@]12CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233334387 1312906371 /nfs/dbraw/zinc/90/63/71/1312906371.db2.gz DQBBJMRYTVLQTG-SFHVURJKSA-N -1 3 338.398 2.893 20 10 EFCDHM CN1C[C@@]2(CC1=O)CCCCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417257 1312927700 /nfs/dbraw/zinc/92/77/00/1312927700.db2.gz OERRSHGNLBLREH-INIZCTEOSA-N -1 3 342.361 2.998 20 10 EFCDHM [O-]c1c(CN2CC[C@](O)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415974 1312927771 /nfs/dbraw/zinc/92/77/71/1312927771.db2.gz QIWINEYRGIYDEW-LLVKDONJSA-N -1 3 329.240 2.910 20 10 EFCDHM CC(C)C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233455547 1312935825 /nfs/dbraw/zinc/93/58/25/1312935825.db2.gz PHADXGWYJLMQNM-UHFFFAOYSA-N -1 3 330.350 2.711 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CC(F)(F)CC[C@H]1CO ZINC001203635874 1312977224 /nfs/dbraw/zinc/97/72/24/1312977224.db2.gz JQXQOLCODRNNMC-NSHDSACASA-N -1 3 336.176 2.747 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CC(N2CCC(F)(F)C2)C1 ZINC001203645808 1312979801 /nfs/dbraw/zinc/97/98/01/1312979801.db2.gz SXQWYLDBXVZUKU-UHFFFAOYSA-N -1 3 347.203 2.680 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(Cn3cccn3)cnc2C1 ZINC001203656093 1312982207 /nfs/dbraw/zinc/98/22/07/1312982207.db2.gz HOODDDBUWOSQBU-UHFFFAOYSA-N -1 3 343.818 2.503 20 10 EFCDHM O=S(=O)(CC1CCC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193532515 1293329706 /nfs/dbraw/zinc/32/97/06/1293329706.db2.gz BZRQFMNMWWVJQU-UHFFFAOYSA-N -1 3 340.832 2.813 20 10 EFCDHM COc1ccccc1N1CC[C@@H](NCc2cc(F)cc(F)c2[O-])C1=O ZINC000883038596 1293438832 /nfs/dbraw/zinc/43/88/32/1293438832.db2.gz MYCYLMIHFZNPIU-CQSZACIVSA-N -1 3 348.349 2.574 20 10 EFCDHM Cc1nc(N2CCOCC2)ccc1NCc1cc(F)cc(F)c1[O-] ZINC000883073479 1293450700 /nfs/dbraw/zinc/45/07/00/1293450700.db2.gz QVJRBMQPBBTVHG-UHFFFAOYSA-N -1 3 335.354 2.823 20 10 EFCDHM CCS(=O)(=O)c1ccc(CNCc2cc(F)cc(F)c2[O-])cc1 ZINC000883084247 1293454796 /nfs/dbraw/zinc/45/47/96/1293454796.db2.gz LRKMBZFFIKQNEZ-UHFFFAOYSA-N -1 3 341.379 2.754 20 10 EFCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1NC(=O)N(C)C ZINC000794423106 1294062915 /nfs/dbraw/zinc/06/29/15/1294062915.db2.gz UOEDKZMQOVZMED-UHFFFAOYSA-N -1 3 329.356 2.752 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000775727136 1294292168 /nfs/dbraw/zinc/29/21/68/1294292168.db2.gz KDPOFFIXBLLROT-AWEZNQCLSA-N -1 3 329.799 2.955 20 10 EFCDHM C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1c([O-])cccc1F ZINC000886643561 1295085949 /nfs/dbraw/zinc/08/59/49/1295085949.db2.gz ZDRWPTDGWXKYSC-LLVKDONJSA-N -1 3 346.358 2.592 20 10 EFCDHM COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(Br)ccc1[O-] ZINC000775999288 1295641209 /nfs/dbraw/zinc/64/12/09/1295641209.db2.gz IVPVAGOFHDJWLQ-GXFFZTMASA-N -1 3 342.233 2.928 20 10 EFCDHM C[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])[C@@H]1CO ZINC001235058247 1313233343 /nfs/dbraw/zinc/23/33/43/1313233343.db2.gz ZWCIDCWZCGSWGK-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])[C@@H]1CO ZINC001235058245 1313233655 /nfs/dbraw/zinc/23/36/55/1313233655.db2.gz ZWCIDCWZCGSWGK-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@]2(CCOC2)C1 ZINC001235294471 1313283871 /nfs/dbraw/zinc/28/38/71/1313283871.db2.gz OPRGTUJDAWFWSI-AWEZNQCLSA-N -1 3 330.197 2.906 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@]1(C)O ZINC001235295803 1313284057 /nfs/dbraw/zinc/28/40/57/1313284057.db2.gz FWBNMWOIDZDVIB-OTYXRUKQSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])CC[C@@H]1O ZINC001235295895 1313284246 /nfs/dbraw/zinc/28/42/46/1313284246.db2.gz GHXWDONTTNGIOZ-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@H]2COC[C@@H]2C1 ZINC001235305221 1313287217 /nfs/dbraw/zinc/28/72/17/1313287217.db2.gz KIQBFZLDIVYFQE-ONGXEEELSA-N -1 3 330.197 2.762 20 10 EFCDHM Nc1cccc2c1C(=O)c1cccc(Nc3cncc([O-])c3)c1C2=O ZINC001201642500 1296992386 /nfs/dbraw/zinc/99/23/86/1296992386.db2.gz VSSMQLYIBDDJTB-UHFFFAOYSA-N -1 3 331.331 2.888 20 10 EFCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)OCCO2 ZINC000776342811 1297865953 /nfs/dbraw/zinc/86/59/53/1297865953.db2.gz KJDAVOJHLPUSIM-UHFFFAOYSA-N -1 3 343.379 2.577 20 10 EFCDHM COc1cc([O-])c(CN2CCN(Cc3ccccn3)CC2)c(Cl)c1 ZINC001236794967 1313529990 /nfs/dbraw/zinc/52/99/90/1313529990.db2.gz GSUQHBDGILGNOT-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@@H](N2CCOCC2)C1 ZINC001236795516 1313530751 /nfs/dbraw/zinc/53/07/51/1313530751.db2.gz FVZBRNOETJYNLG-GFCCVEGCSA-N -1 3 331.243 2.606 20 10 EFCDHM CCOC(=O)[C@H]1CCCCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236803477 1313532319 /nfs/dbraw/zinc/53/23/19/1313532319.db2.gz OEARUOJFYVHMSG-CQSZACIVSA-N -1 3 327.808 2.972 20 10 EFCDHM COc1ccc(CN2CC[C@H](Oc3ncncc3C)C2)c([O-])c1Cl ZINC001236809760 1313534068 /nfs/dbraw/zinc/53/40/68/1313534068.db2.gz OEAKLRBELGLTTM-ZDUSSCGKSA-N -1 3 349.818 2.806 20 10 EFCDHM [O-]c1c(CN2CCNC[C@H]2C(F)(F)F)cccc1C(F)(F)F ZINC001236983811 1313566704 /nfs/dbraw/zinc/56/67/04/1313566704.db2.gz WPOGINLSRCBRME-JTQLQIEISA-N -1 3 328.256 2.747 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)[C@H](F)C2)c(Br)c1 ZINC001237064845 1313579902 /nfs/dbraw/zinc/57/99/02/1313579902.db2.gz KHSKNSGGZREPEY-GFCCVEGCSA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](C)C2)c(Br)c1 ZINC001237064143 1313580168 /nfs/dbraw/zinc/58/01/68/1313580168.db2.gz XEEOOPYHUAQXMS-VIFPVBQESA-N -1 3 328.206 2.574 20 10 EFCDHM COc1cc([O-])c(CN2CCOCC2(C)C)c(Br)c1 ZINC001237073002 1313581898 /nfs/dbraw/zinc/58/18/98/1313581898.db2.gz MWKHZIFMGAEHSX-UHFFFAOYSA-N -1 3 330.222 2.774 20 10 EFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001237081459 1313584106 /nfs/dbraw/zinc/58/41/06/1313584106.db2.gz LFOWHLBDKDXRKE-GFCCVEGCSA-N -1 3 345.270 2.996 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)[C@H](C)C2)c(Br)c1 ZINC001237059021 1313578624 /nfs/dbraw/zinc/57/86/24/1313578624.db2.gz DFGOWBAHXDWYMY-SNVBAGLBSA-N -1 3 342.233 2.964 20 10 EFCDHM CN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1Cl ZINC001237122113 1313589985 /nfs/dbraw/zinc/58/99/85/1313589985.db2.gz RXTRUPQGOZVSAY-MRXNPFEDSA-N -1 3 326.799 2.772 20 10 EFCDHM COC(=O)C1(N(Cc2cc(F)cc(C(C)=O)c2[O-])C2CC2)CCC1 ZINC000852176739 1299579901 /nfs/dbraw/zinc/57/99/01/1299579901.db2.gz HKVJOYPIECGUNH-UHFFFAOYSA-N -1 3 335.375 2.794 20 10 EFCDHM O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000776636885 1299976896 /nfs/dbraw/zinc/97/68/96/1299976896.db2.gz LIDHGSWJPOPPJL-HZPDHXFCSA-N -1 3 331.343 2.887 20 10 EFCDHM O=c1[n-]ccc(NCc2ccc(N3CCSCC3)cc2)c1[N+](=O)[O-] ZINC000853189253 1300040718 /nfs/dbraw/zinc/04/07/18/1300040718.db2.gz MWWAOISSGSQZAD-UHFFFAOYSA-N -1 3 346.412 2.861 20 10 EFCDHM COc1cc(F)c([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000776654561 1300095508 /nfs/dbraw/zinc/09/55/08/1300095508.db2.gz PMJJMWQGNBNLKJ-VIFPVBQESA-N -1 3 335.331 2.745 20 10 EFCDHM Cc1cc([O-])c(CN2CCC(=O)[C@H](F)CC2)cc1Br ZINC001237678481 1313690289 /nfs/dbraw/zinc/69/02/89/1313690289.db2.gz ZTRJUBFFEXUPJN-GFCCVEGCSA-N -1 3 330.197 2.966 20 10 EFCDHM CCOC(=O)[C@@H]1CCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237683224 1313690828 /nfs/dbraw/zinc/69/08/28/1313690828.db2.gz XECJOEHOSFVMGR-ZDUSSCGKSA-N -1 3 342.233 2.991 20 10 EFCDHM CO[C@@H]1CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237780079 1313705043 /nfs/dbraw/zinc/70/50/43/1313705043.db2.gz MELYALUCPDBFRN-LLVKDONJSA-N -1 3 347.196 2.608 20 10 EFCDHM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3cccc(F)c3[O-])C2)C1 ZINC001276538611 1313707396 /nfs/dbraw/zinc/70/73/96/1313707396.db2.gz XXODFOPCXQEHAN-INIZCTEOSA-N -1 3 342.414 2.698 20 10 EFCDHM O=C1NCCC2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)O1 ZINC001237806828 1313710840 /nfs/dbraw/zinc/71/08/40/1313710840.db2.gz VZPBMXSZOSZWRQ-UHFFFAOYSA-N -1 3 328.771 2.649 20 10 EFCDHM O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1cccc(O)c1[O-] ZINC000855113379 1300794549 /nfs/dbraw/zinc/79/45/49/1300794549.db2.gz CBNPXZJUQORHOU-KRWDZBQOSA-N -1 3 327.380 2.732 20 10 EFCDHM O=C1CCCC2(CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)N1 ZINC001237938094 1313733936 /nfs/dbraw/zinc/73/39/36/1313733936.db2.gz SUYCDSXBTLVNFL-UHFFFAOYSA-N -1 3 326.799 2.819 20 10 EFCDHM [O-]c1cc(Cl)c(F)cc1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001237936009 1313734062 /nfs/dbraw/zinc/73/40/62/1313734062.db2.gz IDQSLPOPBBOKOK-XGWLTEMNSA-N -1 3 341.810 2.811 20 10 EFCDHM CC(C)C(=O)N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941490 1313734327 /nfs/dbraw/zinc/73/43/27/1313734327.db2.gz XIDZRVJRBSPRMB-GFCCVEGCSA-N -1 3 328.815 2.921 20 10 EFCDHM CC[C@H](C)N(CC(=O)OC)Cc1c([O-])cccc1Br ZINC000862352892 1302341530 /nfs/dbraw/zinc/34/15/30/1302341530.db2.gz OMRKTKWFCLWXRV-JTQLQIEISA-N -1 3 330.222 2.928 20 10 EFCDHM C[C@@H](OC(C)(C)C)[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864510926 1302955701 /nfs/dbraw/zinc/95/57/01/1302955701.db2.gz JLDKWBPDZLJREK-BMIGLBTASA-N -1 3 344.402 2.777 20 10 EFCDHM Cc1nocc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000866763808 1303783199 /nfs/dbraw/zinc/78/31/99/1303783199.db2.gz IQHNAENUCRMHHT-CQSZACIVSA-N -1 3 349.818 2.736 20 10 EFCDHM COC(=O)[C@]1(F)CCN(Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250120956 1315175520 /nfs/dbraw/zinc/17/55/20/1315175520.db2.gz WEPXVCCMUYQAKF-AWEZNQCLSA-N -1 3 346.196 2.550 20 10 EFCDHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(N(C)C)cc1 ZINC000800540104 1308093639 /nfs/dbraw/zinc/09/36/39/1308093639.db2.gz WYOXEBLPYBTDGS-JTQLQIEISA-N -1 3 327.363 2.654 20 10 EFCDHM CCCNC(=S)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001244889596 1314424049 /nfs/dbraw/zinc/42/40/49/1314424049.db2.gz GOFJCBQFPUIZLN-UHFFFAOYSA-N -1 3 340.404 2.864 20 10 EFCDHM CCO[C@@H](C)COc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226386374 1311660541 /nfs/dbraw/zinc/66/05/41/1311660541.db2.gz ZICITLYHADZPPC-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM CCN1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937104 1311876136 /nfs/dbraw/zinc/87/61/36/1311876136.db2.gz BHJDEZYDDUWMBQ-CQSZACIVSA-N -1 3 327.380 2.802 20 10 EFCDHM COC(=O)[C@H]1C[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937823 1311876701 /nfs/dbraw/zinc/87/67/01/1311876701.db2.gz NSPNYOULUZOIBH-BETUJISGSA-N -1 3 342.347 2.659 20 10 EFCDHM COC[C@H]1COCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000902561851 1311877703 /nfs/dbraw/zinc/87/77/03/1311877703.db2.gz CPJCEPKNXUPPES-ZDUSSCGKSA-N -1 3 331.412 2.864 20 10 EFCDHM O=C(N1CCCCO1)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277456836 1312247043 /nfs/dbraw/zinc/24/70/43/1312247043.db2.gz CVIIUYMSTWWSLU-SUMWQHHRSA-N -1 3 336.819 2.564 20 10 EFCDHM COC(CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1O)OC ZINC001231446347 1312499333 /nfs/dbraw/zinc/49/93/33/1312499333.db2.gz HJLBWRYQFLOJOW-UHFFFAOYSA-N -1 3 345.395 2.712 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c([O-])c1 ZINC001231452437 1312500574 /nfs/dbraw/zinc/50/05/74/1312500574.db2.gz PDNSIKKLZCNRDZ-KRWDZBQOSA-N -1 3 327.380 2.882 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c([O-])c1 ZINC001231452437 1312500578 /nfs/dbraw/zinc/50/05/78/1312500578.db2.gz PDNSIKKLZCNRDZ-KRWDZBQOSA-N -1 3 327.380 2.882 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)c([O-])c1 ZINC001231452319 1312500604 /nfs/dbraw/zinc/50/06/04/1312500604.db2.gz LBYIKHHAMWAMEE-UHFFFAOYSA-N -1 3 328.368 2.529 20 10 EFCDHM C[C@](O)(C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1)C(F)(F)F ZINC001231454899 1312500901 /nfs/dbraw/zinc/50/09/01/1312500901.db2.gz KBNKUKMYAKNKTQ-HNNXBMFYSA-N -1 3 347.333 2.616 20 10 EFCDHM Cc1ccc(CN2CCN(Cc3ccc(C(=O)[O-])cc3O)CC2)cc1 ZINC001231452910 1312501588 /nfs/dbraw/zinc/50/15/88/1312501588.db2.gz WRDSICQABJYKML-UHFFFAOYSA-N -1 3 340.423 2.717 20 10 EFCDHM Cc1cc(F)ccc1N1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231454211 1312501655 /nfs/dbraw/zinc/50/16/55/1312501655.db2.gz OYTIJABZVYPVLI-UHFFFAOYSA-N -1 3 344.386 2.860 20 10 EFCDHM C[C@@](O)(C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1)C(F)(F)F ZINC001231454900 1312501764 /nfs/dbraw/zinc/50/17/64/1312501764.db2.gz KBNKUKMYAKNKTQ-OAHLLOKOSA-N -1 3 347.333 2.616 20 10 EFCDHM Cc1ccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc1 ZINC001231559681 1312524955 /nfs/dbraw/zinc/52/49/55/1312524955.db2.gz IDJFVNXKAQXSDC-UHFFFAOYSA-N -1 3 326.396 2.721 20 10 EFCDHM CCOC(=O)CCC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231564810 1312526144 /nfs/dbraw/zinc/52/61/44/1312526144.db2.gz ZDZISAFJLZWBRX-UHFFFAOYSA-N -1 3 335.400 2.646 20 10 EFCDHM Cc1cc(Br)c([O-])c(CN2CCC(F)(F)[C@@H](N)C2)c1 ZINC001206685179 1312559190 /nfs/dbraw/zinc/55/91/90/1312559190.db2.gz XRBUPJNMEYQACZ-NSHDSACASA-N -1 3 335.192 2.631 20 10 EFCDHM Cc1cnc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)nc1 ZINC001231872389 1312578076 /nfs/dbraw/zinc/57/80/76/1312578076.db2.gz YTAUVSICYWXNFV-UHFFFAOYSA-N -1 3 332.835 2.775 20 10 EFCDHM COC[C@@H]1Cn2ccnc2CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231867627 1312578146 /nfs/dbraw/zinc/57/81/46/1312578146.db2.gz OUBMHHBWJJFICQ-ZDUSSCGKSA-N -1 3 335.835 2.829 20 10 EFCDHM COC[C@@H]1Cn2nccc2CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231869576 1312578208 /nfs/dbraw/zinc/57/82/08/1312578208.db2.gz RDCWGCVWAXFFND-ZDUSSCGKSA-N -1 3 335.835 2.829 20 10 EFCDHM COC[C@H]1Cn2nccc2CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231869575 1312578547 /nfs/dbraw/zinc/57/85/47/1312578547.db2.gz RDCWGCVWAXFFND-CYBMUJFWSA-N -1 3 335.835 2.829 20 10 EFCDHM CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269004 1312662608 /nfs/dbraw/zinc/66/26/08/1312662608.db2.gz YKGRIBKXJKYHLI-BZNIZROVSA-N -1 3 325.792 2.582 20 10 EFCDHM COc1cc([O-])c(CN2CCN(Cc3ccccn3)CC2)cc1Cl ZINC001232268696 1312662845 /nfs/dbraw/zinc/66/28/45/1312662845.db2.gz SWHGEMGSEWHEPW-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232270255 1312663840 /nfs/dbraw/zinc/66/38/40/1312663840.db2.gz ZOLIFMNOFGBBPF-CYBMUJFWSA-N -1 3 327.808 2.972 20 10 EFCDHM COc1cc(F)c(F)cc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325469 1314815386 /nfs/dbraw/zinc/81/53/86/1314815386.db2.gz VMBQLBXYVFGLGH-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM COc1ccc(OC)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325404 1314815507 /nfs/dbraw/zinc/81/55/07/1314815507.db2.gz QZOIWDSEFXHNNW-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM COc1cc(Cl)cnc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215327512 1314816491 /nfs/dbraw/zinc/81/64/91/1314816491.db2.gz FDUBBVSRWGZLRV-UHFFFAOYSA-N -1 3 335.703 2.577 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cnccc2C(F)(F)F)no1 ZINC001215327782 1314816550 /nfs/dbraw/zinc/81/65/50/1314816550.db2.gz SQAXVPMIQMBNCH-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3cnccc3C(F)(F)F)no2)cc1O ZINC001215328421 1314816882 /nfs/dbraw/zinc/81/68/82/1314816882.db2.gz CEJVERBZYUAKRH-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM COc1c(F)c(F)ccc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215328704 1314816975 /nfs/dbraw/zinc/81/69/75/1314816975.db2.gz NPXHKQKXPMFVQW-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2CC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC001248883920 1314991818 /nfs/dbraw/zinc/99/18/18/1314991818.db2.gz SAQVNGMWZJBPEU-GFCCVEGCSA-N -1 3 345.892 2.962 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2C[C@@H](F)C[C@H]2C(N)=O)cc1Cl ZINC001248883390 1314992026 /nfs/dbraw/zinc/99/20/26/1314992026.db2.gz FTTXCKYEUUGBFG-GWCFXTLKSA-N -1 3 328.815 2.741 20 10 EFCDHM O=C1c2cccc(OC3CCC(O)CC3)c2C(=O)c2cccc([O-])c21 ZINC001218366451 1315185211 /nfs/dbraw/zinc/18/52/11/1315185211.db2.gz CPXCPTFNGBXIMT-UHFFFAOYSA-N -1 3 338.359 2.850 20 10 EFCDHM N[C@@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1ccccc1 ZINC001220212663 1315385760 /nfs/dbraw/zinc/38/57/60/1315385760.db2.gz RLDORSBYXAMJGF-OAHLLOKOSA-N -1 3 341.798 2.910 20 10 EFCDHM CC(C)(C)[C@@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001253734727 1315633704 /nfs/dbraw/zinc/63/37/04/1315633704.db2.gz HJTZXLWZQFCMNX-KRWDZBQOSA-N -1 3 339.391 2.987 20 10 EFCDHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1O ZINC001259043194 1316201727 /nfs/dbraw/zinc/20/17/27/1316201727.db2.gz UEWSJKCLLBKSNL-QMMMGPOBSA-N -1 3 331.315 2.849 20 10 EFCDHM CN(C)c1ccc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)cc1F ZINC000901880527 1324759402 /nfs/dbraw/zinc/75/94/02/1324759402.db2.gz XQKMDTUJNPEQSC-UHFFFAOYSA-N -1 3 346.406 2.624 20 10 EFCDHM Cc1c([C@@H](NCc2ccc(N3CCCCC3)cc2)C(=O)[O-])cnn1C ZINC000904047055 1324862352 /nfs/dbraw/zinc/86/23/52/1324862352.db2.gz AIMWZXYWVQLIFO-GOSISDBHSA-N -1 3 342.443 2.634 20 10 EFCDHM COc1cccc(N2CCC(NC(=O)c3cccc(O)c3[O-])CC2)c1 ZINC001320990592 1329328605 /nfs/dbraw/zinc/32/86/05/1329328605.db2.gz FAQXKFXATNPOHF-UHFFFAOYSA-N -1 3 342.395 2.505 20 10 EFCDHM Cc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c(C)c1 ZINC001328510535 1330598748 /nfs/dbraw/zinc/59/87/48/1330598748.db2.gz BXEDYYWGVWNZJR-UHFFFAOYSA-N -1 3 326.396 2.677 20 10 EFCDHM Cc1cc(CN2CCCN(Cc3cc(F)cc(F)c3[O-])CC2)no1 ZINC001331551803 1330851661 /nfs/dbraw/zinc/85/16/61/1330851661.db2.gz HRQVXTYTEPCXCR-UHFFFAOYSA-N -1 3 337.370 2.675 20 10 EFCDHM COC(=O)c1cc(CN(C)Cc2cc(F)cc(F)c2[O-])oc1C ZINC001333704653 1331197756 /nfs/dbraw/zinc/19/77/56/1331197756.db2.gz ZYPGDHCGFPFDAH-UHFFFAOYSA-N -1 3 325.311 2.990 20 10 EFCDHM COC(=O)CN(Cc1c([O-])cccc1Br)CC(C)C ZINC001351614915 1333256573 /nfs/dbraw/zinc/25/65/73/1333256573.db2.gz CILAMEHPODUEPR-UHFFFAOYSA-N -1 3 330.222 2.786 20 10 EFCDHM CN(C)c1ccc(CN(C)Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821611127 1429227085 /nfs/dbraw/zinc/22/70/85/1429227085.db2.gz RIUJLOLVLDEFLM-UHFFFAOYSA-N -1 3 328.445 2.626 20 10 EFCDHM CN(C)c1ccc(CN(C)Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821611127 1429227076 /nfs/dbraw/zinc/22/70/76/1429227076.db2.gz RIUJLOLVLDEFLM-UHFFFAOYSA-N -1 3 328.445 2.626 20 10 EFCDHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(N(C)C)cc1 ZINC000824606984 1425982463 /nfs/dbraw/zinc/98/24/63/1425982463.db2.gz UUMZANNHFAFHMS-LBPRGKRZSA-N -1 3 340.406 2.923 20 10 EFCDHM c1cc(-c2nn[n-]n2)cc(C2(NCc3ccc4c(c3)CCO4)CC2)c1 ZINC000826513203 1442064121 /nfs/dbraw/zinc/06/41/21/1442064121.db2.gz DHFQSZSIVLWKAQ-UHFFFAOYSA-N -1 3 333.395 2.581 20 10 EFCDHM c1cc(-c2nnn[n-]2)cc(C2(NCc3ccc4c(c3)CCO4)CC2)c1 ZINC000826513203 1442064123 /nfs/dbraw/zinc/06/41/23/1442064123.db2.gz DHFQSZSIVLWKAQ-UHFFFAOYSA-N -1 3 333.395 2.581 20 10 EFCDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160161716 712907787 /nfs/dbraw/zinc/90/77/87/712907787.db2.gz IUKIAVLUQXCOPV-UHFFFAOYSA-N -1 3 331.391 2.905 20 10 EFCDHM Cc1ccc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c([O-])c1O ZINC000179432857 717461012 /nfs/dbraw/zinc/46/10/12/717461012.db2.gz DFGVTIGVPNXTEJ-UHFFFAOYSA-N -1 3 340.379 2.859 20 10 EFCDHM NC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893863735 720129563 /nfs/dbraw/zinc/12/95/63/720129563.db2.gz MMQKQYLIPXEKMP-QMMMGPOBSA-N -1 3 347.640 2.505 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)c([O-])c1O ZINC000182494160 720139441 /nfs/dbraw/zinc/13/94/41/720139441.db2.gz JXFOXCIAIMSWEL-UHFFFAOYSA-N -1 3 328.368 2.669 20 10 EFCDHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894052273 720252335 /nfs/dbraw/zinc/25/23/35/720252335.db2.gz CEZPXADRYBDMOP-HUUCEWRRSA-N -1 3 326.387 2.892 20 10 EFCDHM CCCC(=O)Nc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000186950964 720488770 /nfs/dbraw/zinc/48/87/70/720488770.db2.gz CGPUYXYUFBNGGG-UHFFFAOYSA-N -1 3 328.368 2.766 20 10 EFCDHM O=C(NCCNc1nc2ccccc2s1)c1cccc(O)c1[O-] ZINC000192980341 720861451 /nfs/dbraw/zinc/86/14/51/720861451.db2.gz AFJUDERMUGYEKS-UHFFFAOYSA-N -1 3 329.381 2.549 20 10 EFCDHM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cccc(O)c1[O-] ZINC000193150500 720876559 /nfs/dbraw/zinc/87/65/59/720876559.db2.gz IBYLNNVYKBBSES-VOTSOKGWSA-N -1 3 329.337 2.965 20 10 EFCDHM COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@@H]1C ZINC000894539127 722776118 /nfs/dbraw/zinc/77/61/18/722776118.db2.gz YCBLYCBKMLGDOV-LDYMZIIASA-N -1 3 346.196 2.677 20 10 EFCDHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000174728829 725790699 /nfs/dbraw/zinc/79/06/99/725790699.db2.gz SELDDIJMDOILIM-UHFFFAOYSA-N -1 3 334.397 2.850 20 10 EFCDHM CN(Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000054446512 726234847 /nfs/dbraw/zinc/23/48/47/726234847.db2.gz LLBSCVJHMVRALX-GFCCVEGCSA-N -1 3 349.452 2.636 20 10 EFCDHM COc1cccc2c1OCC[C@H]2NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000733331837 727544589 /nfs/dbraw/zinc/54/45/89/727544589.db2.gz JGDAQQJZVNOLMM-CQSZACIVSA-N -1 3 330.340 2.922 20 10 EFCDHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)cc2F)c1 ZINC000182408174 728146124 /nfs/dbraw/zinc/14/61/24/728146124.db2.gz GGIPZPJRUSDJAO-UHFFFAOYSA-N -1 3 347.371 2.826 20 10 EFCDHM CN(Cc1cnn(C)c1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001598534409 992833337 /nfs/dbraw/zinc/83/33/37/992833337.db2.gz XCYQEHBCYPMCOD-UHFFFAOYSA-N -1 3 325.368 2.609 20 10 EFCDHM COc1ccc(N2CC[C@@H](NCc3cc(C(=O)[O-])c(C)o3)C2)cc1 ZINC001599586964 993625907 /nfs/dbraw/zinc/62/59/07/993625907.db2.gz ZDJCUTRPKCYSOE-CYBMUJFWSA-N -1 3 330.384 2.663 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2cc(C(=O)[O-])ccc2OC)c1 ZINC001599597967 993774149 /nfs/dbraw/zinc/77/41/49/993774149.db2.gz CCNOABCPXQNWPO-LLVKDONJSA-N -1 3 331.368 2.958 20 10 EFCDHM COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])C2 ZINC001599632693 994241304 /nfs/dbraw/zinc/24/13/04/994241304.db2.gz KVJXQDFQRXEDOO-SMDDNHRTSA-N -1 3 343.379 2.753 20 10 EFCDHM CNC(=O)CC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCCCC1 ZINC001598638098 994272946 /nfs/dbraw/zinc/27/29/46/994272946.db2.gz XLIGQIZMXJPYEP-ZDUSSCGKSA-N -1 3 348.443 2.828 20 10 EFCDHM C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220039 994305559 /nfs/dbraw/zinc/30/55/59/994305559.db2.gz PUFKZGHLAKUECM-JTQLQIEISA-N -1 3 346.349 2.768 20 10 EFCDHM C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220040 994305707 /nfs/dbraw/zinc/30/57/07/994305707.db2.gz PUFKZGHLAKUECM-SNVBAGLBSA-N -1 3 346.349 2.768 20 10 EFCDHM C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246696 994457047 /nfs/dbraw/zinc/45/70/47/994457047.db2.gz NYDMXHXIVYXFKG-DZGCQCFKSA-N -1 3 329.396 2.592 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246697 994457109 /nfs/dbraw/zinc/45/71/09/994457109.db2.gz NYDMXHXIVYXFKG-HIFRSBDPSA-N -1 3 329.396 2.592 20 10 EFCDHM C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248675 994473928 /nfs/dbraw/zinc/47/39/28/994473928.db2.gz VHRNIALMOYHHFS-GXTWGEPZSA-N -1 3 347.386 2.731 20 10 EFCDHM C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274888 994626601 /nfs/dbraw/zinc/62/66/01/994626601.db2.gz OPZQQACTOWGOTC-GFCCVEGCSA-N -1 3 339.395 2.870 20 10 EFCDHM C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274891 994626718 /nfs/dbraw/zinc/62/67/18/994626718.db2.gz OPZQQACTOWGOTC-LBPRGKRZSA-N -1 3 339.395 2.870 20 10 EFCDHM C[C@H](NCc1cccc2c1OCCO2)c1cc(C(=O)[O-])ccc1O ZINC001593302857 994728532 /nfs/dbraw/zinc/72/85/32/994728532.db2.gz AKOZJPLIHMSCQS-NSHDSACASA-N -1 3 329.352 2.712 20 10 EFCDHM C[C@](NCc1ccc2c(c1)CCO2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304049 994741936 /nfs/dbraw/zinc/74/19/36/994741936.db2.gz GSNMRAJWIYKVSI-GOSISDBHSA-N -1 3 342.351 2.619 20 10 EFCDHM C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)[O-] ZINC001593710308 996208671 /nfs/dbraw/zinc/20/86/71/996208671.db2.gz KXDMPONSJCLSKM-IFXJQAMLSA-N -1 3 329.396 2.791 20 10 EFCDHM C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)[O-] ZINC001593710308 996208678 /nfs/dbraw/zinc/20/86/78/996208678.db2.gz KXDMPONSJCLSKM-IFXJQAMLSA-N -1 3 329.396 2.791 20 10 EFCDHM C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)[O-] ZINC001593710311 996208827 /nfs/dbraw/zinc/20/88/27/996208827.db2.gz KXDMPONSJCLSKM-LIRRHRJNSA-N -1 3 329.396 2.791 20 10 EFCDHM C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)[O-] ZINC001593710311 996208834 /nfs/dbraw/zinc/20/88/34/996208834.db2.gz KXDMPONSJCLSKM-LIRRHRJNSA-N -1 3 329.396 2.791 20 10 EFCDHM COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001598872712 996744653 /nfs/dbraw/zinc/74/46/53/996744653.db2.gz AFGMQYPXVFLGJJ-LBPRGKRZSA-N -1 3 343.379 2.657 20 10 EFCDHM COc1cc(Cl)cc(C[NH2+][C@H](CC(F)(F)F)C(=O)[O-])c1[O-] ZINC001599420692 997588936 /nfs/dbraw/zinc/58/89/36/997588936.db2.gz PGKYTBXOFNMCCS-MRVPVSSYSA-N -1 3 327.686 2.549 20 10 EFCDHM C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589902305 1093174838 /nfs/dbraw/zinc/17/48/38/1093174838.db2.gz BNGMJBPXKRSRSR-WDEREUQCSA-N -1 3 329.429 2.916 20 10 EFCDHM C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951953 1093191934 /nfs/dbraw/zinc/19/19/34/1093191934.db2.gz KBERSWHIFLELPQ-LRDDRELGSA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951952 1093192107 /nfs/dbraw/zinc/19/21/07/1093192107.db2.gz KBERSWHIFLELPQ-BLLLJJGKSA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1[O-] ZINC001589968456 1093202393 /nfs/dbraw/zinc/20/23/93/1093202393.db2.gz FBSRJESWMQLRFZ-VIFPVBQESA-N -1 3 331.326 2.701 20 10 EFCDHM CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@H]1CCCCO1 ZINC001590461444 1093433205 /nfs/dbraw/zinc/43/32/05/1093433205.db2.gz DURIBIHVXHTHTN-TUKIKUTGSA-N -1 3 331.420 2.571 20 10 EFCDHM CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465198 1093436043 /nfs/dbraw/zinc/43/60/43/1093436043.db2.gz HAQIMEYBXFPRAD-INIZCTEOSA-N -1 3 338.415 2.825 20 10 EFCDHM CC[C@H]([NH2+][C@H]1CCS[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467197 1093438624 /nfs/dbraw/zinc/43/86/24/1093438624.db2.gz QWROFVLRLNZXIT-MJVIPROJSA-N -1 3 333.461 2.897 20 10 EFCDHM CC[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469426 1093441567 /nfs/dbraw/zinc/44/15/67/1093441567.db2.gz YWYBUKIXEITPLP-WFASDCNBSA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590472296 1093443549 /nfs/dbraw/zinc/44/35/49/1093443549.db2.gz RXRONTTWRKHKGA-GMTAPVOTSA-N -1 3 327.310 2.564 20 10 EFCDHM CC[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470976 1093444119 /nfs/dbraw/zinc/44/41/19/1093444119.db2.gz TVLFXPKNXACMQT-RCBQFDQVSA-N -1 3 345.447 2.554 20 10 EFCDHM CC[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470975 1093444164 /nfs/dbraw/zinc/44/41/64/1093444164.db2.gz TVLFXPKNXACMQT-MAZHCROVSA-N -1 3 345.447 2.554 20 10 EFCDHM CCCOc1ccc(CNCc2nc(-c3nnn[n-]3)cs2)cc1C ZINC001590647492 1093530162 /nfs/dbraw/zinc/53/01/62/1093530162.db2.gz KRRNKAXPGCIVSK-UHFFFAOYSA-N -1 3 344.444 2.710 20 10 EFCDHM CCCOc1ccc(CNCc2nc(-c3nn[n-]n3)cs2)cc1C ZINC001590647492 1093530167 /nfs/dbraw/zinc/53/01/67/1093530167.db2.gz KRRNKAXPGCIVSK-UHFFFAOYSA-N -1 3 344.444 2.710 20 10 EFCDHM CCOC(=O)c1cnc(Sc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001590776056 1093564280 /nfs/dbraw/zinc/56/42/80/1093564280.db2.gz BTHPNJKRPDAWDP-UHFFFAOYSA-N -1 3 333.398 2.651 20 10 EFCDHM CCOC(=O)c1cnc(Sc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001590776056 1093564283 /nfs/dbraw/zinc/56/42/83/1093564283.db2.gz BTHPNJKRPDAWDP-UHFFFAOYSA-N -1 3 333.398 2.651 20 10 EFCDHM CCc1cnc(C[NH2+][C@H](CC)c2cccc(-c3nn[n-]n3)c2[O-])s1 ZINC001590900260 1093625757 /nfs/dbraw/zinc/62/57/57/1093625757.db2.gz BPIMODHIQPKKNR-CYBMUJFWSA-N -1 3 344.444 2.832 20 10 EFCDHM COCc1ccccc1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591459302 1093727527 /nfs/dbraw/zinc/72/75/27/1093727527.db2.gz NTHMXADCHCCNHX-GFCCVEGCSA-N -1 3 339.399 2.570 20 10 EFCDHM COc1ccc(CNc2cc(C)cc(F)c2-c2nnn[n-]2)c(O)c1 ZINC001591601354 1093789454 /nfs/dbraw/zinc/78/94/54/1093789454.db2.gz MQWFIYPQXSTYIX-UHFFFAOYSA-N -1 3 329.335 2.641 20 10 EFCDHM COc1ccc(CNc2cc(C)cc(F)c2-c2nn[n-]n2)c(O)c1 ZINC001591601354 1093789462 /nfs/dbraw/zinc/78/94/62/1093789462.db2.gz MQWFIYPQXSTYIX-UHFFFAOYSA-N -1 3 329.335 2.641 20 10 EFCDHM COc1ccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001591607647 1093793810 /nfs/dbraw/zinc/79/38/10/1093793810.db2.gz GXZNYOHLNVKMFW-HNNXBMFYSA-N -1 3 336.399 2.566 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)c(C)c2)cc1OC ZINC001591606696 1093794159 /nfs/dbraw/zinc/79/41/59/1093794159.db2.gz WRURSYJCPVEJCH-UHFFFAOYSA-N -1 3 339.399 2.829 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)c(C)c2)cc1OC ZINC001591606696 1093794168 /nfs/dbraw/zinc/79/41/68/1093794168.db2.gz WRURSYJCPVEJCH-UHFFFAOYSA-N -1 3 339.399 2.829 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)c(F)c2)c(OC)c1 ZINC001591606720 1093794821 /nfs/dbraw/zinc/79/48/21/1093794821.db2.gz XRBHAZLZBDZYLV-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)c(F)c2)c(OC)c1 ZINC001591606720 1093794823 /nfs/dbraw/zinc/79/48/23/1093794823.db2.gz XRBHAZLZBDZYLV-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM COc1ccc(O)c([C@@H](C)Nc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001591618138 1093800150 /nfs/dbraw/zinc/80/01/50/1093800150.db2.gz DYJWPRLMESJMLH-SECBINFHSA-N -1 3 329.335 2.893 20 10 EFCDHM COc1ccc(O)c([C@@H](C)Nc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001591618138 1093800158 /nfs/dbraw/zinc/80/01/58/1093800158.db2.gz DYJWPRLMESJMLH-SECBINFHSA-N -1 3 329.335 2.893 20 10 EFCDHM COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591654518 1093819603 /nfs/dbraw/zinc/81/96/03/1093819603.db2.gz QCMNBWZKDYDVPB-VXGBXAGGSA-N -1 3 339.399 2.993 20 10 EFCDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CNc1ccc2c(c1)ncn2C ZINC001591849651 1093889028 /nfs/dbraw/zinc/88/90/28/1093889028.db2.gz ZWSJVTJLJDFQLV-UHFFFAOYSA-N -1 3 333.399 2.982 20 10 EFCDHM Cc1cc(-c2nnn[n-]2)cc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001591859854 1093897408 /nfs/dbraw/zinc/89/74/08/1093897408.db2.gz OOQOYAUJYNIDAV-UHFFFAOYSA-N -1 3 335.415 2.782 20 10 EFCDHM Cc1cc(-c2nn[n-]n2)cc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001591859854 1093897413 /nfs/dbraw/zinc/89/74/13/1093897413.db2.gz OOQOYAUJYNIDAV-UHFFFAOYSA-N -1 3 335.415 2.782 20 10 EFCDHM Cc1csc([C@H](C)C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592314503 1094073173 /nfs/dbraw/zinc/07/31/73/1094073173.db2.gz MGEDCFQMGOKXSO-KOLCDFICSA-N -1 3 344.444 2.792 20 10 EFCDHM Cc1nc(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])sc1C ZINC001592359442 1094089424 /nfs/dbraw/zinc/08/94/24/1094089424.db2.gz IJMINFVRPPRJJO-JTQLQIEISA-N -1 3 344.444 2.539 20 10 EFCDHM Cc1nc(NCc2ccc(N3CC=CC3)cc2)ccc1-c1nnn[n-]1 ZINC001592395158 1094099514 /nfs/dbraw/zinc/09/95/14/1094099514.db2.gz AGJAGGHQXVOPCY-UHFFFAOYSA-N -1 3 333.399 2.558 20 10 EFCDHM Cc1nc(NCc2ccc(N3CC=CC3)cc2)ccc1-c1nn[n-]n1 ZINC001592395158 1094099522 /nfs/dbraw/zinc/09/95/22/1094099522.db2.gz AGJAGGHQXVOPCY-UHFFFAOYSA-N -1 3 333.399 2.558 20 10 EFCDHM Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592456562 1094107201 /nfs/dbraw/zinc/10/72/01/1094107201.db2.gz YUKUWODKPJXFIZ-VHSXEESVSA-N -1 3 342.403 2.631 20 10 EFCDHM Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592456563 1094107933 /nfs/dbraw/zinc/10/79/33/1094107933.db2.gz YUKUWODKPJXFIZ-ZJUUUORDSA-N -1 3 342.403 2.631 20 10 EFCDHM O=C([O-])c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1F ZINC001602348707 1096196473 /nfs/dbraw/zinc/19/64/73/1096196473.db2.gz VDJUWQKIELHBMS-UHFFFAOYSA-N -1 3 344.386 2.650 20 10 EFCDHM CC(C)c1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])on1 ZINC001603393295 1096518281 /nfs/dbraw/zinc/51/82/81/1096518281.db2.gz VUDOFYNGJWAYJM-JTQLQIEISA-N -1 3 328.376 2.535 20 10 EFCDHM C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603656986 1096581948 /nfs/dbraw/zinc/58/19/48/1096581948.db2.gz KAODXVWVZGLMTJ-QMMMGPOBSA-N -1 3 327.310 2.565 20 10 EFCDHM CC[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054718 1096712160 /nfs/dbraw/zinc/71/21/60/1096712160.db2.gz JEEZTPPQRZRZNT-RHSMWYFYSA-N -1 3 331.420 2.572 20 10 EFCDHM CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604060261 1096715605 /nfs/dbraw/zinc/71/56/05/1096715605.db2.gz DTYNGXSPKFLMAR-ZOWXZIJZSA-N -1 3 331.420 2.569 20 10 EFCDHM C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326875 1096812719 /nfs/dbraw/zinc/81/27/19/1096812719.db2.gz UKXILRGAKFQANR-CJNGLKHVSA-N -1 3 329.396 2.735 20 10 EFCDHM C[C@@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001604328936 1096813315 /nfs/dbraw/zinc/81/33/15/1096813315.db2.gz ICKXISQWQMHYKT-CYBMUJFWSA-N -1 3 341.411 2.740 20 10 EFCDHM C[C@H]([NH2+]CCN1CCc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342388 1096820549 /nfs/dbraw/zinc/82/05/49/1096820549.db2.gz KIIDEBRPPKSQIV-ZDUSSCGKSA-N -1 3 326.396 2.804 20 10 EFCDHM C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342964 1096822150 /nfs/dbraw/zinc/82/21/50/1096822150.db2.gz VHBWUEOIMKAOHG-LRDDRELGSA-N -1 3 327.380 2.883 20 10 EFCDHM CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C12CCC2 ZINC001604412417 1096843414 /nfs/dbraw/zinc/84/34/14/1096843414.db2.gz JYHHYTNJVWYGBL-NILFDRSVSA-N -1 3 343.431 2.571 20 10 EFCDHM CCSC1(C[NH2+][C@H](CC)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001604477653 1096873562 /nfs/dbraw/zinc/87/35/62/1096873562.db2.gz FLYVSHZSDZSZBA-CYBMUJFWSA-N -1 3 333.461 2.899 20 10 EFCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1cc(-c2nnn[n-]2)ccn1 ZINC001604810328 1096963004 /nfs/dbraw/zinc/96/30/04/1096963004.db2.gz NAPXJIXXPHFQAT-UHFFFAOYSA-N -1 3 349.442 2.888 20 10 EFCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1cc(-c2nn[n-]n2)ccn1 ZINC001604810328 1096963012 /nfs/dbraw/zinc/96/30/12/1096963012.db2.gz NAPXJIXXPHFQAT-UHFFFAOYSA-N -1 3 349.442 2.888 20 10 EFCDHM COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605336489 1097100491 /nfs/dbraw/zinc/10/04/91/1097100491.db2.gz QCMNBWZKDYDVPB-RYUDHWBXSA-N -1 3 339.399 2.993 20 10 EFCDHM Cc1cc(Cl)nc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605668997 1097188104 /nfs/dbraw/zinc/18/81/04/1097188104.db2.gz QBAYZGQBAYTOHR-SNVBAGLBSA-N -1 3 344.806 2.780 20 10 EFCDHM CCOc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001605691551 1097196542 /nfs/dbraw/zinc/19/65/42/1097196542.db2.gz FLJLFVLSPBPAJN-GOSISDBHSA-N -1 3 327.380 2.975 20 10 EFCDHM CCOc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001605691551 1097196546 /nfs/dbraw/zinc/19/65/46/1097196546.db2.gz FLJLFVLSPBPAJN-GOSISDBHSA-N -1 3 327.380 2.975 20 10 EFCDHM Cc1csc(NC(=O)N[C@@H](C)c2ccccc2O)c1-c1nnn[n-]1 ZINC001606004080 1097296284 /nfs/dbraw/zinc/29/62/84/1097296284.db2.gz UJQRJAUSMUTIRC-VIFPVBQESA-N -1 3 344.400 2.825 20 10 EFCDHM Cc1csc(NC(=O)N[C@@H](C)c2ccccc2O)c1-c1nn[n-]n1 ZINC001606004080 1097296287 /nfs/dbraw/zinc/29/62/87/1097296287.db2.gz UJQRJAUSMUTIRC-VIFPVBQESA-N -1 3 344.400 2.825 20 10 EFCDHM CO[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])Cc1ccccc1 ZINC001606679312 1097441500 /nfs/dbraw/zinc/44/15/00/1097441500.db2.gz DEIQGOHBZXFKDD-CJNGLKHVSA-N -1 3 329.396 2.999 20 10 EFCDHM Cc1cc(CN2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])ccc1N(C)C ZINC001607641306 1097686675 /nfs/dbraw/zinc/68/66/75/1097686675.db2.gz DLSOLHQLEHDAHA-IBGZPJMESA-N -1 3 340.423 2.778 20 10 EFCDHM CN(C)c1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609270478 1098231516 /nfs/dbraw/zinc/23/15/16/1098231516.db2.gz AFQMKZDICAEPKK-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774884 1098453294 /nfs/dbraw/zinc/45/32/94/1098453294.db2.gz WUBTVXYPUHGYEG-PBHICJAKSA-N -1 3 342.439 2.914 20 10 EFCDHM C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609775226 1098453334 /nfs/dbraw/zinc/45/33/34/1098453334.db2.gz BZFWGLKWGXRIPR-LBPRGKRZSA-N -1 3 328.368 2.770 20 10 EFCDHM COc1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)c1[O-] ZINC001610296256 1098607679 /nfs/dbraw/zinc/60/76/79/1098607679.db2.gz ASILFRUFNZKVDB-CYBMUJFWSA-N -1 3 343.807 2.510 20 10 EFCDHM COc1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)c1[O-] ZINC001610296256 1098607686 /nfs/dbraw/zinc/60/76/86/1098607686.db2.gz ASILFRUFNZKVDB-CYBMUJFWSA-N -1 3 343.807 2.510 20 10 EFCDHM COc1cccc([O-])c1C[NH2+][C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001610357261 1098636421 /nfs/dbraw/zinc/63/64/21/1098636421.db2.gz UYTHFKAPLBRUPE-HIFRSBDPSA-N -1 3 329.396 2.822 20 10 EFCDHM Cc1ccc(O)c(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)c1 ZINC001610509313 1098721425 /nfs/dbraw/zinc/72/14/25/1098721425.db2.gz FVODKZVVCYRRHD-UHFFFAOYSA-N -1 3 332.425 2.783 20 10 EFCDHM CN(C(=O)c1cccc(O)c1[O-])c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000840494982 1101098296 /nfs/dbraw/zinc/09/82/96/1101098296.db2.gz FRFUCIHGINMUSX-UHFFFAOYSA-N -1 3 342.395 2.903 20 10 EFCDHM Cc1cc([O-])c(CN2CCNCC(F)(F)C2)cc1Br ZINC001211345433 1101672517 /nfs/dbraw/zinc/67/25/17/1101672517.db2.gz AEGSVUYULQYROA-UHFFFAOYSA-N -1 3 335.192 2.504 20 10 EFCDHM CN(Cc1nnc2ccccn21)Cc1c([O-])cccc1Br ZINC001140099182 1102125542 /nfs/dbraw/zinc/12/55/42/1102125542.db2.gz ZHXJMJPSQPSNHL-UHFFFAOYSA-N -1 3 347.216 2.829 20 10 EFCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001142508789 1106029779 /nfs/dbraw/zinc/02/97/79/1106029779.db2.gz LKJPNQPBZDYERV-ZDUSSCGKSA-N -1 3 325.277 2.950 20 10 EFCDHM COCCn1c(NC(=O)c2ccc(C)c(O)c2[O-])nc2ccccc21 ZINC000185434376 1120186773 /nfs/dbraw/zinc/18/67/73/1120186773.db2.gz WTETYHROEMYAKH-UHFFFAOYSA-N -1 3 341.367 2.655 20 10 EFCDHM CCc1nnc(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)o1 ZINC000185771303 1120572543 /nfs/dbraw/zinc/57/25/43/1120572543.db2.gz HLDQNQYJKYBZLT-UHFFFAOYSA-N -1 3 325.324 2.963 20 10 EFCDHM C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000191198914 299324816 /nfs/dbraw/zinc/32/48/16/299324816.db2.gz FNWXWVHRYOIFOE-LBPRGKRZSA-N -1 3 349.381 2.753 20 10 EFCDHM COCCOC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177192001 239362930 /nfs/dbraw/zinc/36/29/30/239362930.db2.gz WOZJXUQVFWQJIY-UHFFFAOYSA-N -1 3 341.835 2.876 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000177669686 239385115 /nfs/dbraw/zinc/38/51/15/239385115.db2.gz IYUYNJPUEJZAHG-OAHLLOKOSA-N -1 3 331.343 2.759 20 10 EFCDHM Cc1ccc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c([O-])c1O ZINC000177670996 239385693 /nfs/dbraw/zinc/38/56/93/239385693.db2.gz XMXOTACQBIOEGC-UHFFFAOYSA-N -1 3 342.395 2.931 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1O ZINC000182474872 239538370 /nfs/dbraw/zinc/53/83/70/239538370.db2.gz ASOXYSNJIDIVGK-UHFFFAOYSA-N -1 3 346.408 2.776 20 10 EFCDHM O=C(NCc1ccnc(N2CCCCCC2)c1)c1cccc(O)c1[O-] ZINC000193043923 240080388 /nfs/dbraw/zinc/08/03/88/240080388.db2.gz DKWWYGHJDJDSAH-UHFFFAOYSA-N -1 3 341.411 2.803 20 10 EFCDHM CCCOc1ccc(CN2CCC(S(=O)(=O)CC)CC2)c([O-])c1 ZINC000195157394 240206877 /nfs/dbraw/zinc/20/68/77/240206877.db2.gz DZHVWADRGKAJMU-UHFFFAOYSA-N -1 3 341.473 2.580 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247225988 240278730 /nfs/dbraw/zinc/27/87/30/240278730.db2.gz WCGZVRIMPQMSQJ-CABCVRRESA-N -1 3 342.233 2.535 20 10 EFCDHM C[C@@H](N[C@H](C)c1ccc(Br)cc1[O-])c1nncn1C ZINC000273593357 240706961 /nfs/dbraw/zinc/70/69/61/240706961.db2.gz PVGDXLQKGBMTEQ-RKDXNWHRSA-N -1 3 325.210 2.695 20 10 EFCDHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cccc(O)c1[O-] ZINC000288156272 241001874 /nfs/dbraw/zinc/00/18/74/241001874.db2.gz LRTHBRYGQVZCPU-LLVKDONJSA-N -1 3 342.399 2.564 20 10 EFCDHM C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000294169732 241037452 /nfs/dbraw/zinc/03/74/52/241037452.db2.gz RHCCGIXRGSHXJJ-GFCCVEGCSA-N -1 3 330.359 2.588 20 10 EFCDHM COCc1cc(CNCc2cccc(Br)c2[O-])no1 ZINC000298175320 241142802 /nfs/dbraw/zinc/14/28/02/241142802.db2.gz UVBNBVNTRWLQCX-UHFFFAOYSA-N -1 3 327.178 2.579 20 10 EFCDHM CN(C)c1ccc(CN(C(=O)c2ccc3n[n-]nc3c2)C2CC2)cc1 ZINC000298336998 241147511 /nfs/dbraw/zinc/14/75/11/241147511.db2.gz BWUZTCYFSMPBQP-UHFFFAOYSA-N -1 3 335.411 2.829 20 10 EFCDHM O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(O)c1[O-] ZINC000364016203 242290164 /nfs/dbraw/zinc/29/01/64/242290164.db2.gz YHVNMGVALZFFKH-LLVKDONJSA-N -1 3 348.349 2.632 20 10 EFCDHM C[C@@H]1CN(C2CCOCC2)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000365931738 242337184 /nfs/dbraw/zinc/33/71/84/242337184.db2.gz OBLDYTPNADKUFY-GFCCVEGCSA-N -1 3 342.842 2.870 20 10 EFCDHM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000366076659 242340872 /nfs/dbraw/zinc/34/08/72/242340872.db2.gz HSLXAWCAILHBDM-AWEZNQCLSA-N -1 3 326.396 2.744 20 10 EFCDHM CO[C@H](C)c1noc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000177675566 533128180 /nfs/dbraw/zinc/12/81/80/533128180.db2.gz CYLOCZSPMBNFMV-HIFRSBDPSA-N -1 3 347.415 2.664 20 10 EFCDHM Cc1ccc(C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)c([O-])c1O ZINC000364029754 292077343 /nfs/dbraw/zinc/07/73/43/292077343.db2.gz ODNVPZLOOLCQCX-AWEZNQCLSA-N -1 3 329.400 2.991 20 10 EFCDHM COCCn1c(C)cc(C(=O)CN(C)Cc2ccccc2[O-])c1C ZINC000085795147 544513044 /nfs/dbraw/zinc/51/30/44/544513044.db2.gz QTAHAKRUUQJTPL-UHFFFAOYSA-N -1 3 330.428 2.772 20 10 EFCDHM COc1ccc(N2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000042047214 472108379 /nfs/dbraw/zinc/10/83/79/472108379.db2.gz VMXFOUKZWPUQDS-UHFFFAOYSA-N -1 3 326.396 2.672 20 10 EFCDHM Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000068535739 472206689 /nfs/dbraw/zinc/20/66/89/472206689.db2.gz OVHQDNSTGXAWJC-UHFFFAOYSA-N -1 3 340.423 2.809 20 10 EFCDHM COc1ccc(N2CCN(C(=O)c3cccc(C)c3[O-])CC2)cc1F ZINC000084937455 472228333 /nfs/dbraw/zinc/22/83/33/472228333.db2.gz JVUVYFQETSIIAY-UHFFFAOYSA-N -1 3 344.386 2.811 20 10 EFCDHM CCN(CC(=O)N1CCCC1)Cc1cc(Br)ccc1[O-] ZINC000076118566 472277599 /nfs/dbraw/zinc/27/75/99/472277599.db2.gz WYHGKBLCNGHSHJ-UHFFFAOYSA-N -1 3 341.249 2.599 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)NC1CC1 ZINC000076118514 472277786 /nfs/dbraw/zinc/27/77/86/472277786.db2.gz FWDATNIOJPCSRM-JTQLQIEISA-N -1 3 341.249 2.644 20 10 EFCDHM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1[O-] ZINC000069818248 472442779 /nfs/dbraw/zinc/44/27/79/472442779.db2.gz VIBWUTUKEXBWHO-GFCCVEGCSA-N -1 3 329.356 2.759 20 10 EFCDHM CC1CCN(C(=O)CN(Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000070975907 472530725 /nfs/dbraw/zinc/53/07/25/472530725.db2.gz JITKCFILLVLVIY-GOSISDBHSA-N -1 3 346.471 2.632 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCC(C2OCCO2)CC1 ZINC000130040587 472581522 /nfs/dbraw/zinc/58/15/22/472581522.db2.gz XFGMERXAGZRHAU-UHFFFAOYSA-N -1 3 342.233 2.740 20 10 EFCDHM COC(=O)CN(Cc1c(C)noc1C)Cc1cc(Cl)ccc1[O-] ZINC000071892956 472603818 /nfs/dbraw/zinc/60/38/18/472603818.db2.gz BXZOUHKDKZHHFE-UHFFFAOYSA-N -1 3 338.791 2.826 20 10 EFCDHM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc2c(cc1[O-])OCO2 ZINC000078762379 472766343 /nfs/dbraw/zinc/76/63/43/472766343.db2.gz WFEMYQPTIZCNSQ-INIZCTEOSA-N -1 3 332.400 2.664 20 10 EFCDHM COCCN(CC(=O)N(C)C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000091773976 472805292 /nfs/dbraw/zinc/80/52/92/472805292.db2.gz UUYJVJHQXZQICV-UHFFFAOYSA-N -1 3 342.439 2.596 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CN2CCCC2=O)c1[O-] ZINC000079433972 472864081 /nfs/dbraw/zinc/86/40/81/472864081.db2.gz SOFASLKMJWEYSI-INIZCTEOSA-N -1 3 348.418 2.711 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CN2CCCC2=O)c1[O-] ZINC000079433970 472864281 /nfs/dbraw/zinc/86/42/81/472864281.db2.gz SOFASLKMJWEYSI-MRXNPFEDSA-N -1 3 348.418 2.711 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nccn2C(F)F)c1[O-] ZINC000079465119 472869210 /nfs/dbraw/zinc/86/92/10/472869210.db2.gz BMRBUXCAMHUAPJ-UHFFFAOYSA-N -1 3 327.306 2.958 20 10 EFCDHM CC(=O)N1CCCN(Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000158023105 472883531 /nfs/dbraw/zinc/88/35/31/472883531.db2.gz RIXMRFVFDPYVLJ-UHFFFAOYSA-N -1 3 341.249 2.517 20 10 EFCDHM CO[C@@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134261109 472889373 /nfs/dbraw/zinc/88/93/73/472889373.db2.gz YTJBWMMSKIOZRN-SWLSCSKDSA-N -1 3 340.851 2.551 20 10 EFCDHM CS[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158084478 472891289 /nfs/dbraw/zinc/89/12/89/472891289.db2.gz GPYIDBBEVIEBAJ-RISCZKNCSA-N -1 3 342.892 2.878 20 10 EFCDHM CCCOc1ccc(CN([C@H](C)CS(C)(=O)=O)C2CC2)c([O-])c1 ZINC000093392802 473100225 /nfs/dbraw/zinc/10/02/25/473100225.db2.gz SYRQYRRVLLYWNM-CYBMUJFWSA-N -1 3 341.473 2.579 20 10 EFCDHM CCc1ccc([C@@H]2COCCN2Cc2cc3c(cc2[O-])OCO3)o1 ZINC000093459483 473109723 /nfs/dbraw/zinc/10/97/23/473109723.db2.gz GWCOVQVIAKURSO-AWEZNQCLSA-N -1 3 331.368 2.850 20 10 EFCDHM CCOC(=O)c1[nH]c(C)c(C(=O)CN(C)Cc2ccccc2[O-])c1C ZINC000109769298 473119063 /nfs/dbraw/zinc/11/90/63/473119063.db2.gz IFMHZAGJVBUEPN-UHFFFAOYSA-N -1 3 344.411 2.829 20 10 EFCDHM Cc1cccc(NC(=O)NC(=O)CN(C)Cc2ccccc2[O-])c1C ZINC000109772968 473120289 /nfs/dbraw/zinc/12/02/89/473120289.db2.gz VKCYXPDRROGCNE-UHFFFAOYSA-N -1 3 341.411 2.789 20 10 EFCDHM COc1cccc(CNC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000109769015 473120837 /nfs/dbraw/zinc/12/08/37/473120837.db2.gz NZYNNITVBBILPR-CQSZACIVSA-N -1 3 328.412 2.538 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c[nH]c(C)n1 ZINC000075417060 473185034 /nfs/dbraw/zinc/18/50/34/473185034.db2.gz XWEVLMXYZJYVEA-UHFFFAOYSA-N -1 3 338.205 2.849 20 10 EFCDHM COC(=O)c1occc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000111232985 473198284 /nfs/dbraw/zinc/19/82/84/473198284.db2.gz LQNFFDGMRABZAW-MRXNPFEDSA-N -1 3 345.395 2.953 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCSC[C@H]2c2cnn(C)c2)c1[O-] ZINC000191174014 473497068 /nfs/dbraw/zinc/49/70/68/473497068.db2.gz UDRFVCYFQAFDQJ-INIZCTEOSA-N -1 3 349.431 2.758 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(CN2CCOCC2)CC1 ZINC000191228612 473512528 /nfs/dbraw/zinc/51/25/28/473512528.db2.gz KLULAGZMJZIARC-UHFFFAOYSA-N -1 3 342.842 2.729 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000191316153 473526202 /nfs/dbraw/zinc/52/62/02/473526202.db2.gz VRBHBSKKGGJYST-ZDUSSCGKSA-N -1 3 342.842 2.729 20 10 EFCDHM CC(C)N1CC[C@@H](N[C@H](C)c2ccc(Br)cc2[O-])C1=O ZINC000186048694 473578998 /nfs/dbraw/zinc/57/89/98/473578998.db2.gz BIZQMAMQBGWMTQ-ZWNOBZJWSA-N -1 3 341.249 2.815 20 10 EFCDHM CC(C)N1CC[C@H](N[C@@H](C)c2ccc(Br)cc2[O-])C1=O ZINC000186048649 473579143 /nfs/dbraw/zinc/57/91/43/473579143.db2.gz BIZQMAMQBGWMTQ-GWCFXTLKSA-N -1 3 341.249 2.815 20 10 EFCDHM COC(=O)C[C@@H]1CCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000179151314 473640870 /nfs/dbraw/zinc/64/08/70/473640870.db2.gz UNDWBNWIXQGZAT-ZDUSSCGKSA-N -1 3 325.792 2.776 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000179368618 473680564 /nfs/dbraw/zinc/68/05/64/473680564.db2.gz ZGDMRUMXCSTYQZ-JTQLQIEISA-N -1 3 342.779 2.539 20 10 EFCDHM Cc1ccc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)c([O-])c1O ZINC000179478580 473690401 /nfs/dbraw/zinc/69/04/01/473690401.db2.gz CPXLWALYOYRGQR-UHFFFAOYSA-N -1 3 339.395 2.987 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCN(c2ncnc3sccc32)CC1 ZINC000179909349 473752711 /nfs/dbraw/zinc/75/27/11/473752711.db2.gz FROPDBJLUUHYSZ-UHFFFAOYSA-N -1 3 344.415 2.858 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccs1)C[C@H]1CCCO1 ZINC000186859708 473771289 /nfs/dbraw/zinc/77/12/89/473771289.db2.gz MOFBWMWRTIMJTJ-GFCCVEGCSA-N -1 3 333.409 2.981 20 10 EFCDHM CC1(C)Cc2nc(NC(=O)c3cccc(O)c3[O-])sc2C(=O)C1 ZINC000186920583 473781119 /nfs/dbraw/zinc/78/11/19/473781119.db2.gz FYDOKWYQIAKMHA-UHFFFAOYSA-N -1 3 332.381 2.962 20 10 EFCDHM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000186956145 473789020 /nfs/dbraw/zinc/78/90/20/473789020.db2.gz WQKFKIHQSZPOQC-GFCCVEGCSA-N -1 3 342.395 2.556 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000187080489 473814007 /nfs/dbraw/zinc/81/40/07/473814007.db2.gz WOVGQWBOJLGZBM-KRWDZBQOSA-N -1 3 345.370 2.823 20 10 EFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000187152643 473826438 /nfs/dbraw/zinc/82/64/38/473826438.db2.gz VQCZVNYDGRKLPR-SECBINFHSA-N -1 3 343.314 2.778 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c([O-])c1O ZINC000282164350 473967568 /nfs/dbraw/zinc/96/75/68/473967568.db2.gz QYRJKCBGGGUCEJ-DANNLKNASA-N -1 3 333.428 2.808 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C[C@@H]1C ZINC000188101754 473982919 /nfs/dbraw/zinc/98/29/19/473982919.db2.gz QZVDKVPBLKGEJB-GWCFXTLKSA-N -1 3 342.233 2.786 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1C ZINC000188109534 473986055 /nfs/dbraw/zinc/98/60/55/473986055.db2.gz JNXMCGNWZLHKCN-GWCFXTLKSA-N -1 3 327.808 2.685 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C1CCCC1 ZINC000181590295 474050242 /nfs/dbraw/zinc/05/02/42/474050242.db2.gz SOHXSUKPURSDFW-UHFFFAOYSA-N -1 3 325.792 2.737 20 10 EFCDHM [O-]c1ccccc1CN(Cc1noc(C2CC2)n1)C[C@@H]1CCCO1 ZINC000264678339 474085710 /nfs/dbraw/zinc/08/57/10/474085710.db2.gz BMAFNXWWNQXAEH-HNNXBMFYSA-N -1 3 329.400 2.834 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)c([O-])c1O ZINC000182111730 474102075 /nfs/dbraw/zinc/10/20/75/474102075.db2.gz BWBVQYLTIHXZRI-UHFFFAOYSA-N -1 3 340.379 2.781 20 10 EFCDHM Cc1ccc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)c([O-])c1O ZINC000182265077 474136688 /nfs/dbraw/zinc/13/66/88/474136688.db2.gz SRHBIXFIGFNMRO-UHFFFAOYSA-N -1 3 346.358 2.634 20 10 EFCDHM CC(C)n1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)nn1 ZINC000289119120 474153877 /nfs/dbraw/zinc/15/38/77/474153877.db2.gz NNHZFOPTAPLDEN-KRWDZBQOSA-N -1 3 330.432 2.746 20 10 EFCDHM [O-]c1cccc(Cl)c1CNCc1ccc(N2CCOCC2)nc1 ZINC000264994608 474163249 /nfs/dbraw/zinc/16/32/49/474163249.db2.gz XRUFMANEGRKVOF-UHFFFAOYSA-N -1 3 333.819 2.567 20 10 EFCDHM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000289224609 474189347 /nfs/dbraw/zinc/18/93/47/474189347.db2.gz CRZRIPUUHCSDJK-CYBMUJFWSA-N -1 3 337.725 2.973 20 10 EFCDHM COCCCCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000265366642 474189372 /nfs/dbraw/zinc/18/93/72/474189372.db2.gz ZCSLRLQZBNEIME-UHFFFAOYSA-N -1 3 329.824 2.837 20 10 EFCDHM O=C(Nc1ncc(C2(O)CCCCC2)s1)c1cccc(O)c1[O-] ZINC000289245056 474194829 /nfs/dbraw/zinc/19/48/29/474194829.db2.gz APVFMNOAAVAGKT-UHFFFAOYSA-N -1 3 334.397 2.958 20 10 EFCDHM C[C@H](NCc1cc(Br)ccc1[O-])C(=O)NC(C)(C)C ZINC000227441666 474245583 /nfs/dbraw/zinc/24/55/83/474245583.db2.gz OOXXMGJTQKBGIR-VIFPVBQESA-N -1 3 329.238 2.548 20 10 EFCDHM CC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](O)C(F)(F)F ZINC000270996988 474360239 /nfs/dbraw/zinc/36/02/39/474360239.db2.gz PKWFHXJBJLZSJI-LDYMZIIASA-N -1 3 342.701 2.745 20 10 EFCDHM CCCOc1ccc(CN2CCN(Cc3cccnc3)CC2)c([O-])c1 ZINC000183668571 474408195 /nfs/dbraw/zinc/40/81/95/474408195.db2.gz PWCLUISJJVSKGZ-UHFFFAOYSA-N -1 3 341.455 2.894 20 10 EFCDHM COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276210604 474454090 /nfs/dbraw/zinc/45/40/90/474454090.db2.gz LDNBMQDJAAFUGV-MOPGFXCFSA-N -1 3 341.407 2.558 20 10 EFCDHM COc1ccccc1O[C@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271232206 474455086 /nfs/dbraw/zinc/45/50/86/474455086.db2.gz BINDGXCGPNTESF-GFCCVEGCSA-N -1 3 331.368 2.612 20 10 EFCDHM Cc1ccc(C(=O)N2CCSC[C@H]2c2nccs2)c([O-])c1O ZINC000184158084 474480663 /nfs/dbraw/zinc/48/06/63/474480663.db2.gz IZCNVLABLDIIGR-NSHDSACASA-N -1 3 336.438 2.793 20 10 EFCDHM COc1cncc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000290067663 474545473 /nfs/dbraw/zinc/54/54/73/474545473.db2.gz VWQVLCPZOFSHBJ-QGZVFWFLSA-N -1 3 328.412 2.977 20 10 EFCDHM C[C@@H](N[C@H](C)c1cc(Br)ccc1[O-])c1ncnn1C ZINC000276472265 474555770 /nfs/dbraw/zinc/55/57/70/474555770.db2.gz BLNBEWYXDIYDSN-RKDXNWHRSA-N -1 3 325.210 2.695 20 10 EFCDHM C[C@H](NCc1ccc(OCc2ccccc2)cc1[O-])c1ncnn1C ZINC000276473335 474556658 /nfs/dbraw/zinc/55/66/58/474556658.db2.gz NBGNRGBYWZTLDG-AWEZNQCLSA-N -1 3 338.411 2.951 20 10 EFCDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000276502983 474565286 /nfs/dbraw/zinc/56/52/86/474565286.db2.gz HXYQNYVQKLGLPA-UHFFFAOYSA-N -1 3 344.386 2.631 20 10 EFCDHM CCN(CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccco1 ZINC000276668392 474568762 /nfs/dbraw/zinc/56/87/62/474568762.db2.gz YZGWUMCJECTPJP-LBPRGKRZSA-N -1 3 336.363 2.643 20 10 EFCDHM CCOC(=O)C1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184672077 474581061 /nfs/dbraw/zinc/58/10/61/474581061.db2.gz KACKFHZLCVGDON-UHFFFAOYSA-N -1 3 327.808 2.829 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C(C1CC1)C1CC1 ZINC000277562452 474590657 /nfs/dbraw/zinc/59/06/57/474590657.db2.gz XJFXBAWDYCSTMT-UHFFFAOYSA-N -1 3 334.803 2.998 20 10 EFCDHM COC(=O)[C@@]1(F)CCN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000271765408 474590860 /nfs/dbraw/zinc/59/08/60/474590860.db2.gz FIJPBRBHKGCAQS-CQSZACIVSA-N -1 3 346.196 2.550 20 10 EFCDHM COc1c([O-])c(CN(C)CCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000278155646 474602381 /nfs/dbraw/zinc/60/23/81/474602381.db2.gz CXNJTYKXXYXQPY-UHFFFAOYSA-N -1 3 332.356 2.820 20 10 EFCDHM CCc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1[O-] ZINC000291431027 474603170 /nfs/dbraw/zinc/60/31/70/474603170.db2.gz FGRFGFGDHYTSLQ-UHFFFAOYSA-N -1 3 340.423 2.721 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c([O-])c1O ZINC000272803006 474625384 /nfs/dbraw/zinc/62/53/84/474625384.db2.gz YVGBKRIMBKOZIP-HNNXBMFYSA-N -1 3 349.427 2.597 20 10 EFCDHM COCCN(CCc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272810979 474626762 /nfs/dbraw/zinc/62/67/62/474626762.db2.gz NMHVPBHSJQLCNV-UHFFFAOYSA-N -1 3 329.396 2.738 20 10 EFCDHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000272934123 474644725 /nfs/dbraw/zinc/64/47/25/474644725.db2.gz GMZYWBSPMCCPRH-KZULUSFZSA-N -1 3 345.395 2.921 20 10 EFCDHM CCOC(=O)CC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000267452845 474669667 /nfs/dbraw/zinc/66/96/67/474669667.db2.gz NMKXPVYTMUSQKD-UHFFFAOYSA-N -1 3 337.391 2.899 20 10 EFCDHM CCCOc1ccc(CN[C@@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000267907886 474702893 /nfs/dbraw/zinc/70/28/93/474702893.db2.gz BVHOTSMZEZYBRS-MRXNPFEDSA-N -1 3 347.436 2.799 20 10 EFCDHM CC(C)c1nnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)[nH]1 ZINC000293144122 474837788 /nfs/dbraw/zinc/83/77/88/474837788.db2.gz MADZCKMNRNBIBK-OAHLLOKOSA-N -1 3 330.432 2.815 20 10 EFCDHM C[C@H](NCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432183 474895049 /nfs/dbraw/zinc/89/50/49/474895049.db2.gz VYARQVOBYFYCLW-NSHDSACASA-N -1 3 330.340 2.922 20 10 EFCDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCc1ccccc1 ZINC000273434816 474895679 /nfs/dbraw/zinc/89/56/79/474895679.db2.gz WPPITYHXYWIODG-QWHCGFSZSA-N -1 3 343.383 2.656 20 10 EFCDHM CCNC(=O)c1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273434983 474896581 /nfs/dbraw/zinc/89/65/81/474896581.db2.gz WRTXNXUVZCAYPR-LBPRGKRZSA-N -1 3 343.383 2.901 20 10 EFCDHM CCn1cnnc1CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000273441240 474898330 /nfs/dbraw/zinc/89/83/30/474898330.db2.gz YKIHWTVUQTWRRM-SECBINFHSA-N -1 3 325.210 2.617 20 10 EFCDHM CCn1cnnc1CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000273441241 474899682 /nfs/dbraw/zinc/89/96/82/474899682.db2.gz YKIHWTVUQTWRRM-VIFPVBQESA-N -1 3 325.210 2.617 20 10 EFCDHM COc1cccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1OC ZINC000278916185 474915074 /nfs/dbraw/zinc/91/50/74/474915074.db2.gz UCVMHPAOSLEZBF-UHFFFAOYSA-N -1 3 348.355 2.616 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(CNC(C)=O)cc2)c1 ZINC000273500391 474933024 /nfs/dbraw/zinc/93/30/24/474933024.db2.gz YRQYEWGJOBMSQP-GFCCVEGCSA-N -1 3 342.395 2.988 20 10 EFCDHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000279824340 474993393 /nfs/dbraw/zinc/99/33/93/474993393.db2.gz MMXPIKGOJLRITM-DIFFPNOSSA-N -1 3 331.368 2.612 20 10 EFCDHM COc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2[O-])cc1OC ZINC000280404874 475023221 /nfs/dbraw/zinc/02/32/21/475023221.db2.gz GWJDOSDZHOVQDB-UHFFFAOYSA-N -1 3 345.395 2.823 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCc3ccccc3[C@H]2CO)c1[O-] ZINC000268513220 475024207 /nfs/dbraw/zinc/02/42/07/475024207.db2.gz XCTVTIBAMDOBKY-GOSISDBHSA-N -1 3 329.371 2.826 20 10 EFCDHM C[C@H](NCC(=O)NCC(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000280427987 475025152 /nfs/dbraw/zinc/02/51/52/475025152.db2.gz BROJDSRVGNEKLH-LURJTMIESA-N -1 3 327.158 2.731 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000273734746 475033682 /nfs/dbraw/zinc/03/36/82/475033682.db2.gz KZNRVPAEQUEVRK-GXFFZTMASA-N -1 3 339.741 2.942 20 10 EFCDHM Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[n-]c(=O)n1 ZINC000268637062 475037851 /nfs/dbraw/zinc/03/78/51/475037851.db2.gz MTXCNHVEHSUDRB-UHFFFAOYSA-N -1 3 340.427 2.753 20 10 EFCDHM COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000286109674 475051970 /nfs/dbraw/zinc/05/19/70/475051970.db2.gz YHRLSMORVYDPRC-CYBMUJFWSA-N -1 3 343.379 2.610 20 10 EFCDHM COC[C@@]1(C(=O)OC)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000295071696 475102330 /nfs/dbraw/zinc/10/23/30/475102330.db2.gz PIOWJQJADBTFDC-OAHLLOKOSA-N -1 3 348.226 2.711 20 10 EFCDHM C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CN1Cc1ccccc1 ZINC000295164205 475109729 /nfs/dbraw/zinc/10/97/29/475109729.db2.gz QWKIQPUWHNRRSW-JSGCOSHPSA-N -1 3 344.386 2.630 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000369295931 476405945 /nfs/dbraw/zinc/40/59/45/476405945.db2.gz ZIGONIPDMNUOOK-LBPRGKRZSA-N -1 3 337.391 2.504 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000378349107 476696288 /nfs/dbraw/zinc/69/62/88/476696288.db2.gz NHARUCAHVVKHOM-CABCVRRESA-N -1 3 345.270 2.730 20 10 EFCDHM CC(=O)N1CC[C@@H](NC(=O)c2ccc(C)c(O)c2[O-])c2ccccc21 ZINC000378561916 476721129 /nfs/dbraw/zinc/72/11/29/476721129.db2.gz VPCFREHYVXOOOT-OAHLLOKOSA-N -1 3 340.379 2.634 20 10 EFCDHM CCc1nc([C@@H]2CCCCN2Cc2cc3c(cc2[O-])OCO3)no1 ZINC000371405255 477296335 /nfs/dbraw/zinc/29/63/35/477296335.db2.gz ZVNYHQFXQMJYPQ-LBPRGKRZSA-N -1 3 331.372 2.794 20 10 EFCDHM CCn1nncc1CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000527920431 478572076 /nfs/dbraw/zinc/57/20/76/478572076.db2.gz PBIOUVMLSREHHG-MRVPVSSYSA-N -1 3 343.200 2.756 20 10 EFCDHM Cc1cc(C(=O)NCc2cc(Cl)ccc2[O-])n(C2CCOCC2)n1 ZINC000529512092 479185051 /nfs/dbraw/zinc/18/50/51/479185051.db2.gz LUNNIEJXNSVNNR-UHFFFAOYSA-N -1 3 349.818 2.832 20 10 EFCDHM CN(C)CCNC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000529646110 479233627 /nfs/dbraw/zinc/23/36/27/479233627.db2.gz ZMNNJUCVBWLBMK-UHFFFAOYSA-N -1 3 347.846 2.949 20 10 EFCDHM [O-]c1ccccc1CN(Cc1cnc2cnccn12)C[C@H]1CCCO1 ZINC000160176027 534456986 /nfs/dbraw/zinc/45/69/86/534456986.db2.gz VFPHOVWOOPJABT-QGZVFWFLSA-N -1 3 338.411 2.616 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000298077677 526772473 /nfs/dbraw/zinc/77/24/73/526772473.db2.gz JHORVWCUFIJJQN-RISCZKNCSA-N -1 3 333.409 2.888 20 10 EFCDHM COC(CCCC(C)(C)CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000279705984 536502424 /nfs/dbraw/zinc/50/24/24/536502424.db2.gz JXFGOLBVLYQUIH-UHFFFAOYSA-N -1 3 339.432 2.951 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3nc(C)cs3)CC2)c1[O-] ZINC000177254859 527210209 /nfs/dbraw/zinc/21/02/09/527210209.db2.gz HDDUHDYPSWXWQM-UHFFFAOYSA-N -1 3 349.431 2.821 20 10 EFCDHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000296713234 536466042 /nfs/dbraw/zinc/46/60/42/536466042.db2.gz BCRISJXRNRRUEP-UHFFFAOYSA-N -1 3 340.423 2.853 20 10 EFCDHM COc1c([O-])c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886610 536861443 /nfs/dbraw/zinc/86/14/43/536861443.db2.gz LBXYCRBHMVMBNT-PBHICJAKSA-N -1 3 348.399 2.843 20 10 EFCDHM C[C@H](c1ccccc1)N(Cc1nc(=O)n(C)[n-]1)Cc1ccccc1O ZINC000754082725 575387340 /nfs/dbraw/zinc/38/73/40/575387340.db2.gz QMGPAIUQFWRKHX-CQSZACIVSA-N -1 3 338.411 2.577 20 10 EFCDHM O=C(NCCNc1ccc(-c2ccccc2)nn1)c1cc([O-])cs1 ZINC000754472160 575439645 /nfs/dbraw/zinc/43/96/45/575439645.db2.gz PRKVNFABBIARQQ-UHFFFAOYSA-N -1 3 340.408 2.753 20 10 EFCDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)CCO3)cc1 ZINC000756333959 575719094 /nfs/dbraw/zinc/71/90/94/575719094.db2.gz VNDUNORUKWSCJC-QGZVFWFLSA-N -1 3 327.380 2.936 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc3c(c2)OCO3)c1 ZINC000756342851 575720487 /nfs/dbraw/zinc/72/04/87/575720487.db2.gz MHQLZCAJDBHNRS-LLVKDONJSA-N -1 3 329.352 2.758 20 10 EFCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756355482 575722368 /nfs/dbraw/zinc/72/23/68/575722368.db2.gz ORTPACCNMMFAJE-YUMQZZPRSA-N -1 3 349.656 2.983 20 10 EFCDHM COc1ccc([C@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])cc1F ZINC000756367828 575724325 /nfs/dbraw/zinc/72/43/25/575724325.db2.gz WTLNHOKCFOGHHH-KRWDZBQOSA-N -1 3 331.343 2.685 20 10 EFCDHM COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])cc1F ZINC000756367848 575724392 /nfs/dbraw/zinc/72/43/92/575724392.db2.gz WTLNHOKCFOGHHH-QGZVFWFLSA-N -1 3 331.343 2.685 20 10 EFCDHM COCC(=O)Nc1cccc(CN[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000756378820 575726544 /nfs/dbraw/zinc/72/65/44/575726544.db2.gz GMHVGRAJXUFMSB-GFCCVEGCSA-N -1 3 332.375 2.967 20 10 EFCDHM CCN(CC)c1ccc(CN[C@H](Cn2nc(C)cc2C)C(=O)[O-])cc1 ZINC000756387767 575728362 /nfs/dbraw/zinc/72/83/62/575728362.db2.gz MVFGORPWVAQZPA-GOSISDBHSA-N -1 3 344.459 2.589 20 10 EFCDHM CNC(=O)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756396547 575730367 /nfs/dbraw/zinc/73/03/67/575730367.db2.gz OONCHLKELDCDPD-LLVKDONJSA-N -1 3 329.356 2.511 20 10 EFCDHM C[C@H](NCCS(=O)(=O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756458154 575742562 /nfs/dbraw/zinc/74/25/62/575742562.db2.gz UDWGCXWUPWEPKG-NSHDSACASA-N -1 3 341.379 2.795 20 10 EFCDHM C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756474008 575744970 /nfs/dbraw/zinc/74/49/70/575744970.db2.gz GFQXIEFTLBKMDC-QWHCGFSZSA-N -1 3 341.367 2.757 20 10 EFCDHM C[C@@H]1C[C@H](NCc2nnnn2-c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756491159 575748387 /nfs/dbraw/zinc/74/83/87/575748387.db2.gz UBYRUPSIGMXNMS-RISCZKNCSA-N -1 3 339.374 2.845 20 10 EFCDHM C[C@H]1C[C@@H](NCc2nnnn2-c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756491163 575748401 /nfs/dbraw/zinc/74/84/01/575748401.db2.gz UBYRUPSIGMXNMS-SMDDNHRTSA-N -1 3 339.374 2.845 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CO)c2ccccc2C)c1 ZINC000756635686 575771213 /nfs/dbraw/zinc/77/12/13/575771213.db2.gz GZQWPGKKBJNNIQ-DYVFJYSZSA-N -1 3 329.396 2.871 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2csc(N(C)C)n2)c1 ZINC000756635389 575771219 /nfs/dbraw/zinc/77/12/19/575771219.db2.gz FZAZNDSPFZZGHV-JTQLQIEISA-N -1 3 335.429 2.552 20 10 EFCDHM C[C@@H](N[C@@H]1CCCN(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756636593 575771498 /nfs/dbraw/zinc/77/14/98/575771498.db2.gz FHMBVGTWUQXMII-PRHODGIISA-N -1 3 345.212 2.565 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000756684436 575776814 /nfs/dbraw/zinc/77/68/14/575776814.db2.gz JNSAOUKGHOLWPS-NSHDSACASA-N -1 3 330.340 2.938 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc3c2OCCO3)c1 ZINC000756702902 575778680 /nfs/dbraw/zinc/77/86/80/575778680.db2.gz CXEQCQNWUUFHFF-GFCCVEGCSA-N -1 3 343.379 2.801 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CO)c2cccc(F)c2)c1 ZINC000756711035 575779643 /nfs/dbraw/zinc/77/96/43/575779643.db2.gz HKENUYUFNGGNIK-BDJLRTHQSA-N -1 3 333.359 2.702 20 10 EFCDHM C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756837963 575790600 /nfs/dbraw/zinc/79/06/00/575790600.db2.gz KHVIEAGBDCBFPC-ZETOZRRWSA-N -1 3 348.834 2.624 20 10 EFCDHM C[C@@H](Nc1cnn(CCO)c1)c1ccc(Br)cc1[O-] ZINC000756854861 575793165 /nfs/dbraw/zinc/79/31/65/575793165.db2.gz HKERIZRMEPJQQJ-SECBINFHSA-N -1 3 326.194 2.517 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc3c2oc(=O)n3C)c1 ZINC000756854413 575793202 /nfs/dbraw/zinc/79/32/02/575793202.db2.gz FCLJOSIBIUGDMU-JTQLQIEISA-N -1 3 342.351 2.797 20 10 EFCDHM C[C@H](Nc1cnn(CCO)c1)c1ccc(Br)cc1[O-] ZINC000756854863 575793352 /nfs/dbraw/zinc/79/33/52/575793352.db2.gz HKERIZRMEPJQQJ-VIFPVBQESA-N -1 3 326.194 2.517 20 10 EFCDHM COc1ccc(N[C@H](C)c2cc(F)ccc2[O-])cc1-n1cnnn1 ZINC000757610763 575844937 /nfs/dbraw/zinc/84/49/37/575844937.db2.gz HEYXGVVFMXSYNR-SNVBAGLBSA-N -1 3 329.335 2.689 20 10 EFCDHM Cc1ccc(CNC(=O)c2cc([O-])cs2)c(O[C@H]2CCOC2)c1 ZINC000759095314 575884493 /nfs/dbraw/zinc/88/44/93/575884493.db2.gz WGOWIJWWOCEHAR-AWEZNQCLSA-N -1 3 333.409 2.860 20 10 EFCDHM Cc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000761058206 576106654 /nfs/dbraw/zinc/10/66/54/576106654.db2.gz RCPURZPBDBUTEZ-UHFFFAOYSA-N -1 3 331.759 2.718 20 10 EFCDHM COCCCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761178169 576125633 /nfs/dbraw/zinc/12/56/33/576125633.db2.gz KJWOTQXERVZDFE-UHFFFAOYSA-N -1 3 340.807 2.627 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC[C@H](N3CCCC3=O)C2)c1[O-] ZINC000761199346 576128396 /nfs/dbraw/zinc/12/83/96/576128396.db2.gz LRKBRGACVHSNLP-AWEZNQCLSA-N -1 3 338.835 2.641 20 10 EFCDHM COc1cc(Cl)cc(CN(C)Cc2nnc3ccccn32)c1[O-] ZINC000761196244 576128502 /nfs/dbraw/zinc/12/85/02/576128502.db2.gz ZZXDTVXYPGHSLY-UHFFFAOYSA-N -1 3 332.791 2.729 20 10 EFCDHM COc1cc(Cl)cc(CN(C)CC(=O)NCc2ccccc2)c1[O-] ZINC000761201895 576128977 /nfs/dbraw/zinc/12/89/77/576128977.db2.gz HZWFOJHFYHGNPR-UHFFFAOYSA-N -1 3 348.830 2.802 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1Cc1ncccc1F ZINC000761329588 576146863 /nfs/dbraw/zinc/14/68/63/576146863.db2.gz ONEXSBFKVHJSGW-UHFFFAOYSA-N -1 3 349.749 2.544 20 10 EFCDHM COc1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)ccn1 ZINC000762926833 576348032 /nfs/dbraw/zinc/34/80/32/576348032.db2.gz VLUSRYQNYNCMIY-KRWDZBQOSA-N -1 3 328.412 2.977 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CCC[C@H](S(C)(=O)=O)C3)c2c1 ZINC000763379822 576375050 /nfs/dbraw/zinc/37/50/50/576375050.db2.gz GCOFEEJPXVLMGK-HNNXBMFYSA-N -1 3 349.452 2.563 20 10 EFCDHM COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000765414512 577039492 /nfs/dbraw/zinc/03/94/92/577039492.db2.gz SDSFSHBLPNAOFE-ZDUSSCGKSA-N -1 3 333.409 2.748 20 10 EFCDHM COc1ccc(O)c(C[N-]C(=O)C(F)(F)c2ccccc2F)c1 ZINC000765863071 577083831 /nfs/dbraw/zinc/08/38/31/577083831.db2.gz GNDZAZFVQQMQQU-UHFFFAOYSA-N -1 3 325.286 2.948 20 10 EFCDHM COC(=O)C=Cc1ccc(OCCOC(=O)c2cc([O-])cs2)cc1 ZINC000767537580 577212349 /nfs/dbraw/zinc/21/23/49/577212349.db2.gz NDRPNWRLNZGTDK-QPJJXVBHSA-N -1 3 348.376 2.876 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000768152767 577258029 /nfs/dbraw/zinc/25/80/29/577258029.db2.gz XVNTXUAJIYUCHK-UHFFFAOYSA-N -1 3 343.383 2.631 20 10 EFCDHM CN(C)C(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768299274 577265029 /nfs/dbraw/zinc/26/50/29/577265029.db2.gz KCYIQGGPLJANIL-UHFFFAOYSA-N -1 3 339.439 2.858 20 10 EFCDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000768302040 577265087 /nfs/dbraw/zinc/26/50/87/577265087.db2.gz DRUIZGXQNAPQTM-UHFFFAOYSA-N -1 3 348.790 2.671 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCc3c(F)cc(F)cc3C1)[C@@H](O)CO2 ZINC000768461325 577275659 /nfs/dbraw/zinc/27/56/59/577275659.db2.gz AQKTVJVAFRLRBO-KRWDZBQOSA-N -1 3 333.334 2.655 20 10 EFCDHM C[C@@]1(c2ccccc2)CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768462725 577275923 /nfs/dbraw/zinc/27/59/23/577275923.db2.gz CFSJHFKWWIYWHK-ICSRJNTNSA-N -1 3 341.407 2.566 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000768533633 577281319 /nfs/dbraw/zinc/28/13/19/577281319.db2.gz IARMMTTWFHKGIQ-UHFFFAOYSA-N -1 3 342.443 2.636 20 10 EFCDHM Cc1ccc(C(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)c([O-])c1O ZINC000768610654 577288618 /nfs/dbraw/zinc/28/86/18/577288618.db2.gz DWVOPVSNYDKODG-OAHLLOKOSA-N -1 3 347.333 2.572 20 10 EFCDHM COc1cccc([O-])c1CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000768919902 577316386 /nfs/dbraw/zinc/31/63/86/577316386.db2.gz INIWAHDYIZJKBY-UHFFFAOYSA-N -1 3 346.452 2.810 20 10 EFCDHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3ccccc3O)c[n-]c12 ZINC000769001188 577323287 /nfs/dbraw/zinc/32/32/87/577323287.db2.gz IZRRDVWSANCWIU-UHFFFAOYSA-N -1 3 326.327 2.611 20 10 EFCDHM COCCN(CC(=O)OC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000769232756 577346021 /nfs/dbraw/zinc/34/60/21/577346021.db2.gz OAESIMPMLWMYPL-UHFFFAOYSA-N -1 3 329.824 2.836 20 10 EFCDHM COc1cc(Br)cc(CN(C)Cc2cn[nH]c2)c1[O-] ZINC000769425174 577361774 /nfs/dbraw/zinc/36/17/74/577361774.db2.gz OUMSYDUHLRMWGI-UHFFFAOYSA-N -1 3 326.194 2.518 20 10 EFCDHM COc1cccc([O-])c1CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000769425897 577361801 /nfs/dbraw/zinc/36/18/01/577361801.db2.gz YPHCUZZIUQZDTK-OAHLLOKOSA-N -1 3 327.428 2.675 20 10 EFCDHM CCOc1ccc(CN(C)CC(=O)NCc2cccs2)c([O-])c1 ZINC000769427116 577362002 /nfs/dbraw/zinc/36/20/02/577362002.db2.gz GRJVLIJFVXGFOO-UHFFFAOYSA-N -1 3 334.441 2.601 20 10 EFCDHM CCOc1ccc(CN2CCN(c3ncccc3F)CC2)c([O-])c1 ZINC000769499374 577367536 /nfs/dbraw/zinc/36/75/36/577367536.db2.gz SUPUNBZASLTBQG-UHFFFAOYSA-N -1 3 331.391 2.647 20 10 EFCDHM CCOc1ccc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c([O-])c1 ZINC000770390037 577414796 /nfs/dbraw/zinc/41/47/96/577414796.db2.gz JAJBLUOGIRYCKA-LBPRGKRZSA-N -1 3 332.366 2.859 20 10 EFCDHM O=C1CN(Cc2ccccc2[O-])CCN1Cc1cccc(Cl)c1 ZINC000770506163 577422087 /nfs/dbraw/zinc/42/20/87/577422087.db2.gz WHMUXRUKSGLYJT-UHFFFAOYSA-N -1 3 330.815 2.890 20 10 EFCDHM COc1ccc(NCc2c([O-])cccc2Cl)cc1-n1cnnn1 ZINC000770587446 581113466 /nfs/dbraw/zinc/11/34/66/581113466.db2.gz AXRCMPWTWMCDQJ-UHFFFAOYSA-N -1 3 331.763 2.642 20 10 EFCDHM COc1c([O-])c([C@H]2Nc3ccc(C)cc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000772174358 581292273 /nfs/dbraw/zinc/29/22/73/581292273.db2.gz ANCGACLKLDVKNG-INIZCTEOSA-N -1 3 343.339 2.814 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCNC(=O)c3ccccc32)c1[O-] ZINC000773607952 581450043 /nfs/dbraw/zinc/45/00/43/581450043.db2.gz IKBLIHMNFVOOHZ-UHFFFAOYSA-N -1 3 344.798 2.998 20 10 EFCDHM CCN(CCC[N-]C(=O)C(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000774664336 581497012 /nfs/dbraw/zinc/49/70/12/581497012.db2.gz UKKKNGJMVIPVKU-UHFFFAOYSA-N -1 3 334.338 2.599 20 10 EFCDHM CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000828664709 601432224 /nfs/dbraw/zinc/43/22/24/601432224.db2.gz GLMSNNRAHCVDPW-AWEZNQCLSA-N -1 3 346.221 2.896 20 10 EFCDHM O=C([O-])c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000833315523 601603286 /nfs/dbraw/zinc/60/32/86/601603286.db2.gz YCRHEKGNJAGNNE-CQSZACIVSA-N -1 3 331.368 2.865 20 10 EFCDHM CCOc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)c(O)c1 ZINC000825639241 609484960 /nfs/dbraw/zinc/48/49/60/609484960.db2.gz VQEVRNVOQWXLND-UHFFFAOYSA-N -1 3 325.372 2.892 20 10 EFCDHM CCOc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)c(O)c1 ZINC000825639241 609484962 /nfs/dbraw/zinc/48/49/62/609484962.db2.gz VQEVRNVOQWXLND-UHFFFAOYSA-N -1 3 325.372 2.892 20 10 EFCDHM COC(=O)CN(CCc1cccc(C)n1)Cc1cc(Cl)ccc1[O-] ZINC000828063008 1256992229 /nfs/dbraw/zinc/99/22/29/1256992229.db2.gz YEHSYVLHLANMGR-UHFFFAOYSA-N -1 3 348.830 2.967 20 10 EFCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1Cl ZINC000824807195 1278294021 /nfs/dbraw/zinc/29/40/21/1278294021.db2.gz CQHLPGUIDLSRHB-GDBMZVCRSA-N -1 3 343.876 2.896 20 10 EFCDHM Cc1nsc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC000824862904 1278319899 /nfs/dbraw/zinc/31/98/99/1278319899.db2.gz MDVNUSSRWNXEGP-UHFFFAOYSA-N -1 3 338.864 2.836 20 10 EFCDHM O=C(NCc1cccnc1OC1CCCC1)c1cccc(O)c1[O-] ZINC000186927606 1268195306 /nfs/dbraw/zinc/19/53/06/1268195306.db2.gz HTEBYGDWOFLDSX-UHFFFAOYSA-N -1 3 328.368 2.744 20 10 EFCDHM CCCC(=O)Nc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000186948946 1268457379 /nfs/dbraw/zinc/45/73/79/1268457379.db2.gz QZLZRZGYGWRURL-UHFFFAOYSA-N -1 3 328.368 2.766 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H]2NC(=O)c3c(Cl)cccc3N2)c1 ZINC000742443477 1270055620 /nfs/dbraw/zinc/05/56/20/1270055620.db2.gz KKAGNLHGFYJEGB-AWEZNQCLSA-N -1 3 332.743 2.686 20 10 EFCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1OCC ZINC000743776425 1270749730 /nfs/dbraw/zinc/74/97/30/1270749730.db2.gz BFLDIUKQKLZIBA-UHFFFAOYSA-N -1 3 337.397 2.990 20 10 EFCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H]1C ZINC000787326811 1275758126 /nfs/dbraw/zinc/75/81/26/1275758126.db2.gz KDRLTYKOYUFKRF-NOZJJQNGSA-N -1 3 325.792 2.632 20 10 EFCDHM COc1cc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc(OC)c1OC ZINC000790541424 1277654868 /nfs/dbraw/zinc/65/48/68/1277654868.db2.gz HOPNBTHEQGWXHH-SNVBAGLBSA-N -1 3 347.367 2.615 20 10 EFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000790576611 1277681792 /nfs/dbraw/zinc/68/17/92/1277681792.db2.gz MGDXULSPDZWPIJ-NSHDSACASA-N -1 3 342.351 2.545 20 10 EFCDHM COC(=O)CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790663207 1277727810 /nfs/dbraw/zinc/72/78/10/1277727810.db2.gz QPCQHNOGJJEMOY-CQSZACIVSA-N -1 3 329.352 2.522 20 10 EFCDHM O=C(NCCOc1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000790663632 1277728259 /nfs/dbraw/zinc/72/82/59/1277728259.db2.gz SBIVJCPBVMJGAQ-UHFFFAOYSA-N -1 3 341.285 2.925 20 10 EFCDHM CN(Cc1nccn1Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790800188 1277782218 /nfs/dbraw/zinc/78/22/18/1277782218.db2.gz HJXHNAYWQPYEDP-UHFFFAOYSA-N -1 3 337.379 2.615 20 10 EFCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1c(F)cccc1F ZINC000790919955 1277845095 /nfs/dbraw/zinc/84/50/95/1277845095.db2.gz WQDDKPJJWFHZFK-MLGOLLRUSA-N -1 3 337.322 2.618 20 10 EFCDHM CCOc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1[O-])CCO2 ZINC000790939487 1277888597 /nfs/dbraw/zinc/88/85/97/1277888597.db2.gz CCTUCDGTNVACIA-AWEZNQCLSA-N -1 3 329.352 2.750 20 10 EFCDHM CS(=O)(=O)c1ccc(CNCc2c([O-])ccc(Cl)c2F)s1 ZINC000790992987 1277895982 /nfs/dbraw/zinc/89/59/82/1277895982.db2.gz RUMDPQNSCPZNHD-UHFFFAOYSA-N -1 3 349.836 2.940 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@]1(C)O ZINC001144298556 1279386408 /nfs/dbraw/zinc/38/64/08/1279386408.db2.gz GQTZEBCZZWSFOO-OTYXRUKQSA-N -1 3 332.213 2.887 20 10 EFCDHM COc1ccc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c([O-])c1 ZINC000793385380 1279614582 /nfs/dbraw/zinc/61/45/82/1279614582.db2.gz APVCECVEYLDWFZ-UHFFFAOYSA-N -1 3 338.747 2.958 20 10 EFCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000846106697 1280036817 /nfs/dbraw/zinc/03/68/17/1280036817.db2.gz DNSSSKUOXDEFQE-DJSGYFEHSA-N -1 3 341.835 2.882 20 10 EFCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])[C@H]1CCC[C@H](OC)C1 ZINC000846106699 1280037794 /nfs/dbraw/zinc/03/77/94/1280037794.db2.gz DNSSSKUOXDEFQE-HZUKXOBISA-N -1 3 341.835 2.882 20 10 EFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cn1 ZINC000794167245 1280054747 /nfs/dbraw/zinc/05/47/47/1280054747.db2.gz BHZJODPIJIRTQR-QMMMGPOBSA-N -1 3 337.173 2.746 20 10 EFCDHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1ccc(C)cc1 ZINC000805606856 1280631918 /nfs/dbraw/zinc/63/19/18/1280631918.db2.gz BWAKBQMANSZQPY-UHFFFAOYSA-N -1 3 338.367 2.560 20 10 EFCDHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1ccc(C)cc1 ZINC000805606856 1280631929 /nfs/dbraw/zinc/63/19/29/1280631929.db2.gz BWAKBQMANSZQPY-UHFFFAOYSA-N -1 3 338.367 2.560 20 10 EFCDHM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000846974219 1280654079 /nfs/dbraw/zinc/65/40/79/1280654079.db2.gz SQZIFTSEAWRSFA-MIGQKNRLSA-N -1 3 333.428 2.890 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc[nH]c1=O ZINC001147185441 1281123522 /nfs/dbraw/zinc/12/35/22/1281123522.db2.gz DOAOKRAUKHHHLF-UHFFFAOYSA-N -1 3 329.743 2.624 20 10 EFCDHM O=C(NC1(CCOCc2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000807660414 1281381665 /nfs/dbraw/zinc/38/16/65/1281381665.db2.gz DAYYRKVLRVHQRS-UHFFFAOYSA-N -1 3 327.380 2.967 20 10 EFCDHM CC(C)(C)c1nc2ccc(NC(=O)c3cccc(O)c3[O-])cn2n1 ZINC001148212407 1281453689 /nfs/dbraw/zinc/45/36/89/1281453689.db2.gz YTPTXEKPXHQKRG-UHFFFAOYSA-N -1 3 326.356 2.690 20 10 EFCDHM CC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148214823 1281453793 /nfs/dbraw/zinc/45/37/93/1281453793.db2.gz YRLOILBRSIHHET-UHFFFAOYSA-N -1 3 339.391 2.861 20 10 EFCDHM O=C(Nc1cn2cc(Br)ccc2n1)c1cccc(O)c1[O-] ZINC001148213109 1281454084 /nfs/dbraw/zinc/45/40/84/1281454084.db2.gz VOYUPKZMDGYCLH-UHFFFAOYSA-N -1 3 348.156 2.760 20 10 EFCDHM CCOC(=O)CCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC001148219148 1281456829 /nfs/dbraw/zinc/45/68/29/1281456829.db2.gz UWOBHPPTNFTCBJ-UHFFFAOYSA-N -1 3 347.342 2.985 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(O)c1O ZINC001148220049 1281456852 /nfs/dbraw/zinc/45/68/52/1281456852.db2.gz NKYIRGJYVJVPJX-UHFFFAOYSA-N -1 3 344.754 2.935 20 10 EFCDHM O=C(NC1CCN(c2ncccc2Cl)CC1)c1cccc(O)c1[O-] ZINC001148220004 1281457458 /nfs/dbraw/zinc/45/74/58/1281457458.db2.gz KGKCQERTQQWKGU-UHFFFAOYSA-N -1 3 347.802 2.545 20 10 EFCDHM CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC001148219253 1281457607 /nfs/dbraw/zinc/45/76/07/1281457607.db2.gz YPYVDJKLTYRQFE-HUBLWGQQSA-N -1 3 347.411 2.680 20 10 EFCDHM CC(C)CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC001148224823 1281460233 /nfs/dbraw/zinc/46/02/33/1281460233.db2.gz WBNQTYYYDNWKSM-CYBMUJFWSA-N -1 3 337.416 2.974 20 10 EFCDHM Cc1ncc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1Br ZINC001148581623 1281658977 /nfs/dbraw/zinc/65/89/77/1281658977.db2.gz QVASNBDAHINTST-UHFFFAOYSA-N -1 3 339.145 2.522 20 10 EFCDHM CC1(C)COC(c2ccccc2NC(=O)c2cc(O)c([O-])c(O)c2)=N1 ZINC001148586741 1281662059 /nfs/dbraw/zinc/66/20/59/1281662059.db2.gz WCSKGGONZITKRI-UHFFFAOYSA-N -1 3 342.351 2.611 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1(SC)CC1 ZINC000809572129 1282287958 /nfs/dbraw/zinc/28/79/58/1282287958.db2.gz HYNIALBBEJRUHE-UHFFFAOYSA-N -1 3 329.849 2.916 20 10 EFCDHM NC(=O)CN(Cc1cc(Br)cc(F)c1[O-])C1CCCC1 ZINC000715758246 1284325034 /nfs/dbraw/zinc/32/50/34/1284325034.db2.gz JNDQTWSGWWNOER-UHFFFAOYSA-N -1 3 345.212 2.524 20 10 EFCDHM CCS(=O)(=O)c1ccc([O-])c(Nc2ccnc3ccccc32)c1 ZINC001174038497 1286884354 /nfs/dbraw/zinc/88/43/54/1286884354.db2.gz NXLHGGNWRIQSQC-UHFFFAOYSA-N -1 3 328.393 2.900 20 10 EFCDHM CN(C)C(=O)CN(Cc1ccc2ccccc2c1[O-])CC(F)(F)F ZINC000816491566 1288161876 /nfs/dbraw/zinc/16/18/76/1288161876.db2.gz QUUZONAXBALHLW-UHFFFAOYSA-N -1 3 340.345 2.998 20 10 EFCDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc2ccccc2c1[O-] ZINC000816521648 1288200637 /nfs/dbraw/zinc/20/06/37/1288200637.db2.gz VZBFSZUBOACCKJ-QGZVFWFLSA-N -1 3 331.412 2.944 20 10 EFCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816866545 1288297868 /nfs/dbraw/zinc/29/78/68/1288297868.db2.gz RDEJKDKELZWZRB-UHFFFAOYSA-N -1 3 338.411 2.590 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3cccnc3)CC2)cc1Cl ZINC000824484979 1289665141 /nfs/dbraw/zinc/66/51/41/1289665141.db2.gz XLNLVPONJMPLKW-UHFFFAOYSA-N -1 3 345.830 2.707 20 10 EFCDHM COC(=O)[C@@H](CC(F)(F)F)NCc1cc(Cl)c(C)cc1[O-] ZINC000825672115 1289701910 /nfs/dbraw/zinc/70/19/10/1289701910.db2.gz ZMFZDGVSYVKOTK-SNVBAGLBSA-N -1 3 325.714 2.938 20 10 EFCDHM Cc1cc(CN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)on1 ZINC000824542474 1289709564 /nfs/dbraw/zinc/70/95/64/1289709564.db2.gz STTDIYTVTZWTJV-UHFFFAOYSA-N -1 3 335.835 2.968 20 10 EFCDHM CCOC(=O)CN(Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824587115 1289712822 /nfs/dbraw/zinc/71/28/22/1289712822.db2.gz MGKAOFUTVKLGLE-UHFFFAOYSA-N -1 3 328.206 2.682 20 10 EFCDHM CCC(=O)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824600970 1289720095 /nfs/dbraw/zinc/72/00/95/1289720095.db2.gz FEBCOUXWMOCMAR-UHFFFAOYSA-N -1 3 341.249 2.599 20 10 EFCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@]2(CCOC2)O1 ZINC000825754075 1290417349 /nfs/dbraw/zinc/41/73/49/1290417349.db2.gz ZGKKEJYBFYQZKD-NHYWBVRUSA-N -1 3 342.233 2.535 20 10 EFCDHM CC[C@@H](C)N(CC(=O)OC)Cc1ccc(Br)cc1[O-] ZINC000825763000 1290466722 /nfs/dbraw/zinc/46/67/22/1290466722.db2.gz XGNCCQAXAMFCTI-SNVBAGLBSA-N -1 3 330.222 2.928 20 10 EFCDHM COc1ccc(N2CCC(NC(=O)c3c([O-])cccc3O)CC2)cc1 ZINC000125766564 1290813757 /nfs/dbraw/zinc/81/37/57/1290813757.db2.gz MWVWDFYDVIZLDV-UHFFFAOYSA-N -1 3 342.395 2.505 20 10 EFCDHM CC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@H](C)S1(=O)=O ZINC000825900310 1291008140 /nfs/dbraw/zinc/00/81/40/1291008140.db2.gz KWKMUAZPJGRVQM-AAEUAGOBSA-N -1 3 331.865 2.752 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CCC2(COC2)CC1 ZINC001233027692 1312835561 /nfs/dbraw/zinc/83/55/61/1312835561.db2.gz XHIBWIVHUKTPKL-UHFFFAOYSA-N -1 3 330.197 2.906 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@H]2COC[C@@H]2C1 ZINC001233029380 1312836319 /nfs/dbraw/zinc/83/63/19/1312836319.db2.gz CSGLSVSNSIBSLO-UWVGGRQHSA-N -1 3 330.197 2.762 20 10 EFCDHM CN(Cc1ccc(Br)cc1[O-])[C@H]1CC(C)(C)OC1=O ZINC000825992381 1291322676 /nfs/dbraw/zinc/32/26/76/1291322676.db2.gz XKVXVLPITSBZQD-NSHDSACASA-N -1 3 328.206 2.681 20 10 EFCDHM [O-]c1c(CN2CCCN(Cc3ccncc3)CC2)ccc(F)c1F ZINC001233074834 1312849344 /nfs/dbraw/zinc/84/93/44/1312849344.db2.gz YBBWLRFDGPHUBL-UHFFFAOYSA-N -1 3 333.382 2.773 20 10 EFCDHM O=C(c1ccco1)N1CC[C@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233077962 1312849726 /nfs/dbraw/zinc/84/97/26/1312849726.db2.gz YQGLIOAXZJMNBD-SMDDNHRTSA-N -1 3 348.349 2.610 20 10 EFCDHM CC(C)(O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000877753355 1291360252 /nfs/dbraw/zinc/36/02/52/1291360252.db2.gz CENUOUFOTCQZSJ-UHFFFAOYSA-N -1 3 328.796 2.937 20 10 EFCDHM [O-]c1c(CN2CC3(CN(Cc4ccccc4)C3)C2)ccc(F)c1F ZINC001233078158 1312850646 /nfs/dbraw/zinc/85/06/46/1312850646.db2.gz IVAGABKNOYYZEL-UHFFFAOYSA-N -1 3 330.378 2.988 20 10 EFCDHM COc1ccnc(O[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)c1 ZINC001233079358 1312850723 /nfs/dbraw/zinc/85/07/23/1312850723.db2.gz AMCPIGJTIMOKOL-CYBMUJFWSA-N -1 3 336.338 2.727 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2ncccn2)cc1Br ZINC001233135649 1312863517 /nfs/dbraw/zinc/86/35/17/1312863517.db2.gz XDJQWDIGRIWFFQ-UHFFFAOYSA-N -1 3 338.205 2.585 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@H](F)C(=O)C2)cc1Br ZINC001233135154 1312863589 /nfs/dbraw/zinc/86/35/89/1312863589.db2.gz MNOPCGJJRBQQBL-NSHDSACASA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)[C@H](F)C2)cc1Br ZINC001233135731 1312863783 /nfs/dbraw/zinc/86/37/83/1312863783.db2.gz YTWCHSHNFUQAMH-LLVKDONJSA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2CCn3cccc3C2)cc1Br ZINC001233139864 1312864426 /nfs/dbraw/zinc/86/44/26/1312864426.db2.gz RYSLIUVWHMIEBI-UHFFFAOYSA-N -1 3 337.217 2.981 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2cncnc2)cc1Br ZINC001233142335 1312864986 /nfs/dbraw/zinc/86/49/86/1312864986.db2.gz NZJHSDXUAQGYHL-UHFFFAOYSA-N -1 3 338.205 2.585 20 10 EFCDHM Cc1nc(N)sc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001189293846 1291649382 /nfs/dbraw/zinc/64/93/82/1291649382.db2.gz XEKNXHSIUGACGS-UHFFFAOYSA-N -1 3 348.815 2.871 20 10 EFCDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1C(N)=O ZINC000775291521 1291817557 /nfs/dbraw/zinc/81/75/57/1291817557.db2.gz KXFFIFKMDIXFMP-UHFFFAOYSA-N -1 3 348.424 2.526 20 10 EFCDHM C[C@@H]1CN(Cc2c([O-])ccc(F)c2F)CC[C@]1(O)C(F)(F)F ZINC001233332656 1312904832 /nfs/dbraw/zinc/90/48/32/1312904832.db2.gz SRMJDHREWRWQFP-AMIZOPFISA-N -1 3 325.277 2.806 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001233332511 1312904974 /nfs/dbraw/zinc/90/49/74/1312904974.db2.gz NHLAPIPNMBCQNH-ZDUSSCGKSA-N -1 3 325.277 2.950 20 10 EFCDHM C[C@@H]1CN(Cc2c([O-])ccc(F)c2F)CC[C@@]1(O)C(F)(F)F ZINC001233332658 1312905028 /nfs/dbraw/zinc/90/50/28/1312905028.db2.gz SRMJDHREWRWQFP-OQPBUACISA-N -1 3 325.277 2.806 20 10 EFCDHM CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233332194 1312905227 /nfs/dbraw/zinc/90/52/27/1312905227.db2.gz BTQYCXIQZALNNJ-RTUWITSCSA-N -1 3 340.370 2.625 20 10 EFCDHM O=C(c1ccco1)N1CC[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233334102 1312906067 /nfs/dbraw/zinc/90/60/67/1312906067.db2.gz UXNVDBUOPWMENO-SMDDNHRTSA-N -1 3 348.349 2.610 20 10 EFCDHM CC(C)C(=O)N1CC[C@H]2CN(Cc3c([O-])ccc(F)c3F)CC[C@H]21 ZINC001233334134 1312906085 /nfs/dbraw/zinc/90/60/85/1312906085.db2.gz VQWRCTWSNKBALU-SWLSCSKDSA-N -1 3 338.398 2.749 20 10 EFCDHM O=C(NC1CCN(Cc2c([O-])ccc(F)c2F)CC1)C1CCCC1 ZINC001233334541 1312906218 /nfs/dbraw/zinc/90/62/18/1312906218.db2.gz LEBMOLGYZNXXNC-UHFFFAOYSA-N -1 3 338.398 2.941 20 10 EFCDHM CC(C)C(=O)N1CC[C@@H]2CN(Cc3c([O-])ccc(F)c3F)CC[C@H]21 ZINC001233334133 1312906862 /nfs/dbraw/zinc/90/68/62/1312906862.db2.gz VQWRCTWSNKBALU-IUODEOHRSA-N -1 3 338.398 2.749 20 10 EFCDHM CCC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233417906 1312928157 /nfs/dbraw/zinc/92/81/57/1312928157.db2.gz MQTAAPQUYFXWHW-UHFFFAOYSA-N -1 3 330.350 2.902 20 10 EFCDHM [O-]c1c(CN2CCN(C[C@@H]3CCCO3)CC2)cccc1C(F)(F)F ZINC001233417717 1312928166 /nfs/dbraw/zinc/92/81/66/1312928166.db2.gz FSUOYPYNWBWKRG-AWEZNQCLSA-N -1 3 344.377 2.708 20 10 EFCDHM [O-]c1c(CN2CCC[C@@H](n3ccnn3)C2)cccc1C(F)(F)F ZINC001233419733 1312928551 /nfs/dbraw/zinc/92/85/51/1312928551.db2.gz KQUCDPNCAMTMND-GFCCVEGCSA-N -1 3 326.322 2.840 20 10 EFCDHM CN(C)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233420002 1312928888 /nfs/dbraw/zinc/92/88/88/1312928888.db2.gz VRTODBWFQRBXOA-UHFFFAOYSA-N -1 3 345.365 2.647 20 10 EFCDHM CCOC(=O)[C@@H]1CSCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455388 1312935963 /nfs/dbraw/zinc/93/59/63/1312935963.db2.gz IRXXIRGJLDMPSC-LBPRGKRZSA-N -1 3 349.374 2.892 20 10 EFCDHM COC(=O)CC[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233456203 1312936099 /nfs/dbraw/zinc/93/60/99/1312936099.db2.gz OEUHZEBIALIJSR-CYBMUJFWSA-N -1 3 347.333 2.565 20 10 EFCDHM CC1(C)CN(C2CN(Cc3ccc(C(F)(F)F)cc3[O-])C2)CCO1 ZINC001233455151 1312936333 /nfs/dbraw/zinc/93/63/33/1312936333.db2.gz YKKJDWNUHUXMGH-UHFFFAOYSA-N -1 3 344.377 2.706 20 10 EFCDHM Cc1ccc(CN2CC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000881414862 1292882199 /nfs/dbraw/zinc/88/21/99/1292882199.db2.gz PFPIDDVUGUTMAO-CQSZACIVSA-N -1 3 344.386 2.550 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001203635859 1312977446 /nfs/dbraw/zinc/97/74/46/1312977446.db2.gz JGWGXNGYODIRHQ-PWSUYJOCSA-N -1 3 334.160 2.621 20 10 EFCDHM Cc1cnccc1O[C@@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193233142 1293206752 /nfs/dbraw/zinc/20/67/52/1293206752.db2.gz VHPXHBFUMPDMIB-LLVKDONJSA-N -1 3 348.786 2.748 20 10 EFCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)NCCc1ccccc1 ZINC000883136302 1293476491 /nfs/dbraw/zinc/47/64/91/1293476491.db2.gz YXMXDUNZFVPVKM-LBPRGKRZSA-N -1 3 334.366 2.507 20 10 EFCDHM O=C1NCCCN1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775719083 1294252407 /nfs/dbraw/zinc/25/24/07/1294252407.db2.gz BSTSYBFQHWGCJA-UHFFFAOYSA-N -1 3 341.814 2.564 20 10 EFCDHM C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1c([O-])cccc1F ZINC000886543807 1295009767 /nfs/dbraw/zinc/00/97/67/1295009767.db2.gz VQDUCTHAYJKOGB-CJNGLKHVSA-N -1 3 328.387 2.983 20 10 EFCDHM CC[C@H](COc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)OC ZINC001234753519 1313189479 /nfs/dbraw/zinc/18/94/79/1313189479.db2.gz OUSOOQDOIMJVKE-SNVBAGLBSA-N -1 3 346.335 2.867 20 10 EFCDHM COC(=O)[C@]1(C)COCCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235000182 1313219751 /nfs/dbraw/zinc/21/97/51/1313219751.db2.gz PQAATTVGUREUDX-FQEVSTJZSA-N -1 3 341.407 2.823 20 10 EFCDHM C[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001235299355 1313284554 /nfs/dbraw/zinc/28/45/54/1313284554.db2.gz UJBFDBWWWJZEAS-YMTOWFKASA-N -1 3 332.213 2.887 20 10 EFCDHM CCOc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1OCC ZINC000776317677 1297556309 /nfs/dbraw/zinc/55/63/09/1297556309.db2.gz JWFPLBICECBROB-UHFFFAOYSA-N -1 3 345.395 2.868 20 10 EFCDHM O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000776336945 1297767817 /nfs/dbraw/zinc/76/78/17/1297767817.db2.gz XCKLTWVQGVOHIX-UHFFFAOYSA-N -1 3 341.285 2.925 20 10 EFCDHM CCC(=O)N[C@@H]1CCCN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236806116 1313533545 /nfs/dbraw/zinc/53/35/45/1313533545.db2.gz MTBXDBAUEJFZEA-LLVKDONJSA-N -1 3 326.824 2.545 20 10 EFCDHM COc1cc([O-])c(CN2CCN(Cc3ccco3)CC2)c(Cl)c1 ZINC001236800672 1313530948 /nfs/dbraw/zinc/53/09/48/1313530948.db2.gz WXOQPDUORGBBBV-UHFFFAOYSA-N -1 3 336.819 2.965 20 10 EFCDHM COc1cc([O-])c(CN2CCN(Cc3cccnc3)CC2)c(Cl)c1 ZINC001236798378 1313531435 /nfs/dbraw/zinc/53/14/35/1313531435.db2.gz NSFOUCZIHQYKKY-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM COc1ccc(CN2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1Cl ZINC001236802616 1313532121 /nfs/dbraw/zinc/53/21/21/1313532121.db2.gz ATTFBCBWNVULDR-KRWDZBQOSA-N -1 3 338.835 2.689 20 10 EFCDHM COC(=O)C[C@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236807877 1313532809 /nfs/dbraw/zinc/53/28/09/1313532809.db2.gz VEQRXWLRSSOGQS-LLVKDONJSA-N -1 3 327.808 2.829 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)C[C@H]2C)c(Br)c1 ZINC001237066726 1313580895 /nfs/dbraw/zinc/58/08/95/1313580895.db2.gz ZOUBSMCMHJUSBN-SECBINFHSA-N -1 3 328.206 2.717 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@H]2C(C)=O)c(Br)c1 ZINC001237069110 1313581418 /nfs/dbraw/zinc/58/14/18/1313581418.db2.gz YWYXPHBCVHRSPR-ZDUSSCGKSA-N -1 3 328.206 2.717 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H](C)OC[C@H]2C)c(Br)c1 ZINC001237069989 1313582209 /nfs/dbraw/zinc/58/22/09/1313582209.db2.gz JDBFENIKNZMLDP-NXEZZACHSA-N -1 3 330.222 2.773 20 10 EFCDHM CCCOC1CN(Cc2c([O-])cc(OC)cc2Br)C1 ZINC001237072544 1313582255 /nfs/dbraw/zinc/58/22/55/1313582255.db2.gz IJZZXPGHESIBLK-UHFFFAOYSA-N -1 3 330.222 2.774 20 10 EFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001237081464 1313583721 /nfs/dbraw/zinc/58/37/21/1313583721.db2.gz LFOWHLBDKDXRKE-LBPRGKRZSA-N -1 3 345.270 2.996 20 10 EFCDHM O=C1NCC2(CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)O1 ZINC001237084877 1313584365 /nfs/dbraw/zinc/58/43/65/1313584365.db2.gz PTCNLILPBOOJNL-UHFFFAOYSA-N -1 3 331.199 2.773 20 10 EFCDHM CN(C)C(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237123367 1313590601 /nfs/dbraw/zinc/59/06/01/1313590601.db2.gz DMGHESCXBTVOTB-LBPRGKRZSA-N -1 3 340.826 2.875 20 10 EFCDHM Cc1nccnc1O[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125216 1313591330 /nfs/dbraw/zinc/59/13/30/1313591330.db2.gz ASWZFUHPNKPYDO-LLVKDONJSA-N -1 3 337.782 2.936 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(C(=O)NC(C)(C)C)CC2)cc1Cl ZINC000825543469 1299281741 /nfs/dbraw/zinc/28/17/41/1299281741.db2.gz WFCXZHBTDYJJKH-UHFFFAOYSA-N -1 3 339.867 2.980 20 10 EFCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)OCCO2 ZINC000776605025 1299771613 /nfs/dbraw/zinc/77/16/13/1299771613.db2.gz XEEZUYNCFAYICC-KRWDZBQOSA-N -1 3 343.379 2.996 20 10 EFCDHM COc1ccc(N2CC[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000853699884 1300237194 /nfs/dbraw/zinc/23/71/94/1300237194.db2.gz QUAXQZRYTJCECO-GFCCVEGCSA-N -1 3 344.371 2.642 20 10 EFCDHM Cc1cc([O-])c(CN2CCc3cnn(C)c3C2)cc1Br ZINC001237680416 1313689803 /nfs/dbraw/zinc/68/98/03/1313689803.db2.gz CFJHVSVVTXCWOP-UHFFFAOYSA-N -1 3 336.233 2.755 20 10 EFCDHM COC(=O)[C@@H]1CCCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237677826 1313689874 /nfs/dbraw/zinc/68/98/74/1313689874.db2.gz PTJCRJVEQWPNTN-ZDUSSCGKSA-N -1 3 342.233 2.991 20 10 EFCDHM COC(=O)[C@@]1(F)CCN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237677870 1313690248 /nfs/dbraw/zinc/69/02/48/1313690248.db2.gz QVXXCGQHXHZOPD-CQSZACIVSA-N -1 3 346.196 2.550 20 10 EFCDHM Cc1cc([O-])c(CN(CCO)CC(F)(F)F)cc1Br ZINC001237683391 1313690906 /nfs/dbraw/zinc/69/09/06/1313690906.db2.gz ZCOMGHASAKIGHX-UHFFFAOYSA-N -1 3 342.155 2.820 20 10 EFCDHM Cc1cc([O-])c(CN2CCc3c(cnn3C)C2)cc1Br ZINC001237686699 1313691755 /nfs/dbraw/zinc/69/17/55/1313691755.db2.gz WOZALNRTYPBHKI-UHFFFAOYSA-N -1 3 336.233 2.755 20 10 EFCDHM O=C1CCCC2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)N1 ZINC001237799357 1313708146 /nfs/dbraw/zinc/70/81/46/1313708146.db2.gz HIFRCCDNPBIKNJ-UHFFFAOYSA-N -1 3 326.799 2.819 20 10 EFCDHM COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237805882 1313710106 /nfs/dbraw/zinc/71/01/06/1313710106.db2.gz OXKGPMOMEUOPIL-KWBADKCTSA-N -1 3 327.783 2.958 20 10 EFCDHM O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000855391434 1300939723 /nfs/dbraw/zinc/93/97/23/1300939723.db2.gz PFWFKZLFJITQRQ-LBPRGKRZSA-N -1 3 333.306 2.718 20 10 EFCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001237940886 1313734787 /nfs/dbraw/zinc/73/47/87/1313734787.db2.gz OTRXXIJZSADVCZ-LLVKDONJSA-N -1 3 341.745 2.767 20 10 EFCDHM Cc1cnc(O[C@@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)nc1 ZINC001237941257 1313734979 /nfs/dbraw/zinc/73/49/79/1313734979.db2.gz UBPWFWSLZHFMEK-GFCCVEGCSA-N -1 3 337.782 2.936 20 10 EFCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)[N-]OCC(F)F)cc1 ZINC000860811540 1301932770 /nfs/dbraw/zinc/93/27/70/1301932770.db2.gz DWDVOTOQGOHHMK-UHFFFAOYSA-N -1 3 336.338 2.762 20 10 EFCDHM CCOCCO[N-]C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000860936241 1301966167 /nfs/dbraw/zinc/96/61/67/1301966167.db2.gz YNXDYLWWEDVWJV-UHFFFAOYSA-N -1 3 344.411 2.533 20 10 EFCDHM C[C@H](C(=O)NC(C)(C)C)N(C)Cc1c([O-])cccc1Br ZINC000862330983 1302334816 /nfs/dbraw/zinc/33/48/16/1302334816.db2.gz FLTHGGTVEWPGOJ-SNVBAGLBSA-N -1 3 343.265 2.890 20 10 EFCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@]2(CCOC2)O1 ZINC000862351787 1302342779 /nfs/dbraw/zinc/34/27/79/1302342779.db2.gz UXLKLSLTZORHTQ-ABAIWWIYSA-N -1 3 342.233 2.535 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000862371572 1302352840 /nfs/dbraw/zinc/35/28/40/1302352840.db2.gz IAQZIYXEPFSSIW-SECBINFHSA-N -1 3 336.176 2.604 20 10 EFCDHM CC(C)(C)NC(=O)c1noc2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC001278254631 1313844159 /nfs/dbraw/zinc/84/41/59/1313844159.db2.gz CKEXLMUQGWLHII-UHFFFAOYSA-N -1 3 347.390 2.606 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@](O)(C2CC2)C1 ZINC001331550988 1314314298 /nfs/dbraw/zinc/31/42/98/1314314298.db2.gz YIQDPBZOLCCPPT-CQSZACIVSA-N -1 3 330.197 2.641 20 10 EFCDHM Cc1ccc(C2=NO[C@@H](CNC(=O)c3cccc(O)c3[O-])C2)cc1C ZINC000801400648 1310102888 /nfs/dbraw/zinc/10/28/88/1310102888.db2.gz AXXLAGBZYKMFAZ-CQSZACIVSA-N -1 3 340.379 2.638 20 10 EFCDHM [O-]c1c(CN2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)ccc(F)c1F ZINC001276856885 1311209904 /nfs/dbraw/zinc/20/99/04/1311209904.db2.gz MVQHWZSQCJUQNJ-GASCZTMLSA-N -1 3 333.382 2.847 20 10 EFCDHM C[C@H]1OCC[C@H]1COc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380245 1311658600 /nfs/dbraw/zinc/65/86/00/1311658600.db2.gz QDFXNDLSAJEYMZ-NEPJUHHUSA-N -1 3 338.359 2.971 20 10 EFCDHM CC1(C)COC(=O)[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937076 1311875983 /nfs/dbraw/zinc/87/59/83/1311875983.db2.gz AEGSWWMYJRWOEE-QGZVFWFLSA-N -1 3 342.347 2.659 20 10 EFCDHM CCN1CC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937103 1311875992 /nfs/dbraw/zinc/87/59/92/1311875992.db2.gz BHJDEZYDDUWMBQ-AWEZNQCLSA-N -1 3 327.380 2.802 20 10 EFCDHM CN1CCC(Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)CC1 ZINC001229187159 1312058658 /nfs/dbraw/zinc/05/86/58/1312058658.db2.gz VUTVEAMYCREGLL-UHFFFAOYSA-N -1 3 337.375 2.641 20 10 EFCDHM CCOC[C@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191564 1312059576 /nfs/dbraw/zinc/05/95/76/1312059576.db2.gz CIEBEKKITMCZRR-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM O=C1c2cccc(O[C@H]3CCOC[C@H]3F)c2C(=O)c2cccc([O-])c21 ZINC001229192709 1312059990 /nfs/dbraw/zinc/05/99/90/1312059990.db2.gz SILAWLQETHJGPN-OCCSQVGLSA-N -1 3 342.322 2.673 20 10 EFCDHM Cc1cc(O[C@@H](C)CN(C)C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229540137 1312111201 /nfs/dbraw/zinc/11/12/01/1312111201.db2.gz BWPGBUHFJRFDJG-LBPRGKRZSA-N -1 3 339.391 2.805 20 10 EFCDHM CN(C)C(=O)c1cc2c([nH]1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001277458130 1312252303 /nfs/dbraw/zinc/25/23/03/1312252303.db2.gz OSCGNUNCNPWJBA-UHFFFAOYSA-N -1 3 333.819 2.634 20 10 EFCDHM Cc1noc(NC(=O)[C@H]2CC23CN(Cc2c([O-])cccc2F)C3)c1C ZINC001277484560 1312424408 /nfs/dbraw/zinc/42/44/08/1312424408.db2.gz QYABUVKUIGGJAR-CYBMUJFWSA-N -1 3 345.374 2.597 20 10 EFCDHM Cc1ccccc1N1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446570 1312499294 /nfs/dbraw/zinc/49/92/94/1312499294.db2.gz KEWPKSXCGHGQAB-UHFFFAOYSA-N -1 3 326.396 2.721 20 10 EFCDHM C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001231446425 1312499646 /nfs/dbraw/zinc/49/96/46/1312499646.db2.gz IQLUUKVTHLGWHO-BMIGLBTASA-N -1 3 347.333 2.616 20 10 EFCDHM C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001231446425 1312499649 /nfs/dbraw/zinc/49/96/49/1312499649.db2.gz IQLUUKVTHLGWHO-BMIGLBTASA-N -1 3 347.333 2.616 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c([O-])c1 ZINC001231452462 1312500186 /nfs/dbraw/zinc/50/01/86/1312500186.db2.gz PLXNGZDOIHXAPA-QGZVFWFLSA-N -1 3 327.380 2.882 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c([O-])c1 ZINC001231452462 1312500188 /nfs/dbraw/zinc/50/01/88/1312500188.db2.gz PLXNGZDOIHXAPA-QGZVFWFLSA-N -1 3 327.380 2.882 20 10 EFCDHM COc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1OC ZINC001231452262 1312500292 /nfs/dbraw/zinc/50/02/92/1312500292.db2.gz JBPOOEIDNAACMJ-UHFFFAOYSA-N -1 3 331.368 2.740 20 10 EFCDHM COc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1OC ZINC001231452262 1312500295 /nfs/dbraw/zinc/50/02/95/1312500295.db2.gz JBPOOEIDNAACMJ-UHFFFAOYSA-N -1 3 331.368 2.740 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC001231452331 1312500385 /nfs/dbraw/zinc/50/03/85/1312500385.db2.gz LUPOVRDENRJIBL-INIZCTEOSA-N -1 3 328.368 2.529 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC001231452331 1312500391 /nfs/dbraw/zinc/50/03/91/1312500391.db2.gz LUPOVRDENRJIBL-INIZCTEOSA-N -1 3 328.368 2.529 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c([O-])c1 ZINC001231453197 1312500834 /nfs/dbraw/zinc/50/08/34/1312500834.db2.gz ICJIYQLMGVJXTE-UHFFFAOYSA-N -1 3 346.358 2.668 20 10 EFCDHM O=C([O-])c1ccc(CN2CCC[C@H]2C(=O)Nc2ccccc2)c(O)c1 ZINC001231452880 1312501571 /nfs/dbraw/zinc/50/15/71/1312501571.db2.gz HISPEYGAPLYDGX-INIZCTEOSA-N -1 3 340.379 2.694 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c([O-])c1 ZINC001231452897 1312501674 /nfs/dbraw/zinc/50/16/74/1312501674.db2.gz HKVPDHDQVICUBM-IAGOWNOFSA-N -1 3 338.407 2.659 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([O-])c1 ZINC001231452891 1312501722 /nfs/dbraw/zinc/50/17/22/1312501722.db2.gz HKVPDHDQVICUBM-CALCHBBNSA-N -1 3 338.407 2.659 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([O-])c1 ZINC001231452891 1312501724 /nfs/dbraw/zinc/50/17/24/1312501724.db2.gz HKVPDHDQVICUBM-CALCHBBNSA-N -1 3 338.407 2.659 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c([O-])c1 ZINC001231455506 1312501747 /nfs/dbraw/zinc/50/17/47/1312501747.db2.gz QHZJCYLJMZBHCA-SFHVURJKSA-N -1 3 338.407 2.505 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)c([O-])c1 ZINC001231455506 1312501749 /nfs/dbraw/zinc/50/17/49/1312501749.db2.gz QHZJCYLJMZBHCA-SFHVURJKSA-N -1 3 338.407 2.505 20 10 EFCDHM Cc1cc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)ncn1 ZINC001231872110 1312578252 /nfs/dbraw/zinc/57/82/52/1312578252.db2.gz WJJYOJVSZSWTRU-UHFFFAOYSA-N -1 3 332.835 2.775 20 10 EFCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CCN1c1ccccn1 ZINC001231882685 1312580010 /nfs/dbraw/zinc/58/00/10/1312580010.db2.gz KNYDYHQZNHFEMZ-UHFFFAOYSA-N -1 3 333.391 2.789 20 10 EFCDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1ccc2ccccc2c1[O-] ZINC001231883138 1312580702 /nfs/dbraw/zinc/58/07/02/1312580702.db2.gz ZNADLXIDMRRQMK-KRWDZBQOSA-N -1 3 327.380 2.642 20 10 EFCDHM Cc1noc(C[C@H]2C[C@H]3CN(Cc4cccc(Cl)c4[O-])C[C@H]3O2)n1 ZINC001231912387 1312587616 /nfs/dbraw/zinc/58/76/16/1312587616.db2.gz ZZTSYIJEICNVSA-GZBFAFLISA-N -1 3 349.818 2.569 20 10 EFCDHM C[C@H](NCc1cn(C)cn1)c1cc(Br)cc(F)c1[O-] ZINC000903351766 1312590434 /nfs/dbraw/zinc/59/04/34/1312590434.db2.gz OHRUJYYGSDVOLF-QMMMGPOBSA-N -1 3 328.185 2.878 20 10 EFCDHM CN(C(=O)OC(C)(C)C)C1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232259015 1312660297 /nfs/dbraw/zinc/66/02/97/1312660297.db2.gz HCEUKPAAWICXCU-UHFFFAOYSA-N -1 3 342.823 2.802 20 10 EFCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC001215145929 1314788861 /nfs/dbraw/zinc/78/88/61/1314788861.db2.gz RNALNBGJFVYBGT-UHFFFAOYSA-N -1 3 339.351 2.651 20 10 EFCDHM COCOc1ccccc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325381 1314815380 /nfs/dbraw/zinc/81/53/80/1314815380.db2.gz PVEVYCKUNHYYCA-UHFFFAOYSA-N -1 3 330.296 2.503 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC001215325498 1314815868 /nfs/dbraw/zinc/81/58/68/1314815868.db2.gz WUICONFSDAUHBS-UHFFFAOYSA-N -1 3 336.307 2.706 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001215327523 1314816103 /nfs/dbraw/zinc/81/61/03/1314816103.db2.gz FWSUALAYLYWMHX-UHFFFAOYSA-N -1 3 325.324 2.794 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001215327709 1314816134 /nfs/dbraw/zinc/81/61/34/1314816134.db2.gz PHOWJVCYBSQCSI-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM COc1cccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1OC ZINC001215327825 1314816640 /nfs/dbraw/zinc/81/66/40/1314816640.db2.gz VUWYWVIRYACTFZ-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM COc1ccc(OC)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215327827 1314816653 /nfs/dbraw/zinc/81/66/53/1314816653.db2.gz VZSRQQBPJAHUAQ-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM COc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1OC ZINC001215327524 1314816692 /nfs/dbraw/zinc/81/66/92/1314816692.db2.gz FWURKDMBYPVLHO-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM COc1ccc(CN2CC[C@H]2C)c([O-])c1I ZINC001248481789 1314938571 /nfs/dbraw/zinc/93/85/71/1314938571.db2.gz GHSJGCULBKCDEK-MRVPVSSYSA-N -1 3 333.169 2.600 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2CC3(C2)CS(=O)C3)cc1Cl ZINC001248881197 1314990808 /nfs/dbraw/zinc/99/08/08/1314990808.db2.gz SFEKZLCXWIWBNX-UHFFFAOYSA-N -1 3 327.877 2.907 20 10 EFCDHM COc1cnc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c(OC)c1 ZINC001216954347 1315026043 /nfs/dbraw/zinc/02/60/43/1315026043.db2.gz WVLJLBLFKNAMFD-UHFFFAOYSA-N -1 3 349.730 2.880 20 10 EFCDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1 ZINC001251841245 1315381349 /nfs/dbraw/zinc/38/13/49/1315381349.db2.gz KVDNIARJFRZHLM-UHFFFAOYSA-N -1 3 334.397 2.768 20 10 EFCDHM [O-]c1ccc(-c2nnc(C3CCCC3)o2)cc1CN1CCOCC1 ZINC001257593364 1316078636 /nfs/dbraw/zinc/07/86/36/1316078636.db2.gz VZXHTKJVEPFQNA-UHFFFAOYSA-N -1 3 329.400 2.932 20 10 EFCDHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1O ZINC001259043193 1316201731 /nfs/dbraw/zinc/20/17/31/1316201731.db2.gz UEWSJKCLLBKSNL-MRVPVSSYSA-N -1 3 331.315 2.849 20 10 EFCDHM O=C([O-])[C@H](F)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000904019535 1324859673 /nfs/dbraw/zinc/85/96/73/1324859673.db2.gz WMGOVGOFPCWXLE-QGZVFWFLSA-N -1 3 328.387 2.762 20 10 EFCDHM CN(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000904045367 1324861724 /nfs/dbraw/zinc/86/17/24/1324861724.db2.gz KUYXALTZXDKZML-INIZCTEOSA-N -1 3 342.395 2.787 20 10 EFCDHM CN(C)c1cc(F)c(CNC[C@H](CC(=O)[O-])C(F)(F)F)cc1F ZINC001329311222 1330692962 /nfs/dbraw/zinc/69/29/62/1330692962.db2.gz RMVNUKRTSIDGRU-VIFPVBQESA-N -1 3 340.292 2.774 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCc2cn[nH]c2C1 ZINC001331989756 1330901183 /nfs/dbraw/zinc/90/11/83/1330901183.db2.gz MRKQIGBCUHYERR-UHFFFAOYSA-N -1 3 326.169 2.575 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001343545228 1332355671 /nfs/dbraw/zinc/35/56/71/1332355671.db2.gz VLVRXRFNJWIHOD-UHFFFAOYSA-N -1 3 346.408 2.640 20 10 EFCDHM C[C@@H]1CCc2ccccc2N1CCNC(=O)c1cccc(O)c1[O-] ZINC001344108052 1332403590 /nfs/dbraw/zinc/40/35/90/1332403590.db2.gz ADJSWYRKNCGJDK-CYBMUJFWSA-N -1 3 326.396 2.669 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847398457 1333659771 /nfs/dbraw/zinc/65/97/71/1333659771.db2.gz AYTILWMEQMXINS-UHFFFAOYSA-N -1 3 340.427 2.788 20 10 EFCDHM CC(C)NC(=S)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001200789073 1334529118 /nfs/dbraw/zinc/52/91/18/1334529118.db2.gz GMSZEIDBRILYSI-UHFFFAOYSA-N -1 3 340.404 2.862 20 10 EFCDHM CCc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1O ZINC000848882208 1334958234 /nfs/dbraw/zinc/95/82/34/1334958234.db2.gz NEEPMLWYWJOHQE-UHFFFAOYSA-N -1 3 340.423 2.618 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC([C@H](O)C(F)(F)F)CC2)c1[O-] ZINC000161501306 715967553 /nfs/dbraw/zinc/96/75/53/715967553.db2.gz YIPKTVNKMVDKCR-HNNXBMFYSA-N -1 3 349.324 2.869 20 10 EFCDHM CCOC(=O)CN(Cc1cc(Br)ccc1[O-])C(C)C ZINC000179423976 717463019 /nfs/dbraw/zinc/46/30/19/717463019.db2.gz XDAMJXLVOJRXHO-UHFFFAOYSA-N -1 3 330.222 2.928 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c([O-])c1O ZINC000179540552 717773099 /nfs/dbraw/zinc/77/30/99/717773099.db2.gz HBDAFKMQUGWCKC-UHFFFAOYSA-N -1 3 328.368 2.669 20 10 EFCDHM O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(O)c1[O-] ZINC000186926330 720487664 /nfs/dbraw/zinc/48/76/64/720487664.db2.gz QXVGTBWKCGVDMG-UHFFFAOYSA-N -1 3 327.380 2.576 20 10 EFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1noc(Cc2ccccc2)n1 ZINC000193129426 720874846 /nfs/dbraw/zinc/87/48/46/720874846.db2.gz LICGNXMZMZNHFB-NSHDSACASA-N -1 3 339.351 2.563 20 10 EFCDHM O=C(NC[C@@H](O)c1cc2ccccc2s1)c1cccc(O)c1[O-] ZINC000193132915 720875353 /nfs/dbraw/zinc/87/53/53/720875353.db2.gz LMKLPEFSEUNBIG-CYBMUJFWSA-N -1 3 329.377 2.776 20 10 EFCDHM O=C(NC[C@H](O)c1cc2ccccc2s1)c1cccc(O)c1[O-] ZINC000193132930 720875421 /nfs/dbraw/zinc/87/54/21/720875421.db2.gz LMKLPEFSEUNBIG-ZDUSSCGKSA-N -1 3 329.377 2.776 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000894442459 722735677 /nfs/dbraw/zinc/73/56/77/722735677.db2.gz RZPUDRIVOBJKPB-GFCCVEGCSA-N -1 3 327.371 2.688 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000894748557 722833362 /nfs/dbraw/zinc/83/33/62/722833362.db2.gz OTZRTYSCWBUDIO-ZDUSSCGKSA-N -1 3 325.277 2.950 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](CO)CC1 ZINC000894866343 722918765 /nfs/dbraw/zinc/91/87/65/722918765.db2.gz RBMDVFMKNYYOSS-JTQLQIEISA-N -1 3 332.213 2.888 20 10 EFCDHM O=C1NCCCN(Cc2cc(F)cc(F)c2[O-])[C@@H]1Cc1ccccc1 ZINC000894860087 722905228 /nfs/dbraw/zinc/90/52/28/722905228.db2.gz WWWCSKFCEPMDFL-QGZVFWFLSA-N -1 3 346.377 2.604 20 10 EFCDHM C[C@H]1C[C@@H](CO)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895033210 723055872 /nfs/dbraw/zinc/05/58/72/723055872.db2.gz HDRFZBGTQHEGQC-VHSXEESVSA-N -1 3 332.213 2.744 20 10 EFCDHM COc1c([O-])c(CNCc2nc3c(s2)CCC3)ccc1[N+](=O)[O-] ZINC000896287936 723236263 /nfs/dbraw/zinc/23/62/63/723236263.db2.gz QTOLUFLVNSEABD-UHFFFAOYSA-N -1 3 335.385 2.544 20 10 EFCDHM CC(C)OC(=O)[C@@H](C)N(C)Cc1c([O-])cccc1Br ZINC000862249897 725453719 /nfs/dbraw/zinc/45/37/19/725453719.db2.gz GDYQUWVBRYMBQJ-SNVBAGLBSA-N -1 3 330.222 2.927 20 10 EFCDHM CN(C)C(=O)CN(Cc1c([O-])ccc2ccccc21)CC(F)(F)F ZINC000054492576 726358566 /nfs/dbraw/zinc/35/85/66/726358566.db2.gz XGWJXSDYWGMCDE-UHFFFAOYSA-N -1 3 340.345 2.998 20 10 EFCDHM COc1cccc2c1OCC[C@@H]2NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000733331835 727545915 /nfs/dbraw/zinc/54/59/15/727545915.db2.gz JGDAQQJZVNOLMM-AWEZNQCLSA-N -1 3 330.340 2.922 20 10 EFCDHM C[C@@H]1CS(=O)(=O)CCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000172610595 728599756 /nfs/dbraw/zinc/59/97/56/728599756.db2.gz MNHMBECMUZNSGX-GFCCVEGCSA-N -1 3 349.452 2.636 20 10 EFCDHM COc1cc(C)c(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001594054311 958015087 /nfs/dbraw/zinc/01/50/87/958015087.db2.gz WHXJUKKVONLPAO-QGZVFWFLSA-N -1 3 327.380 2.893 20 10 EFCDHM COc1cc(C)c(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001594054311 958015096 /nfs/dbraw/zinc/01/50/96/958015096.db2.gz WHXJUKKVONLPAO-QGZVFWFLSA-N -1 3 327.380 2.893 20 10 EFCDHM COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1[O-] ZINC000318677893 970460309 /nfs/dbraw/zinc/46/03/09/970460309.db2.gz MEJIKFRBEDOAGV-MRCXROJRSA-N -1 3 325.792 2.739 20 10 EFCDHM COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1[O-] ZINC000318677893 970460316 /nfs/dbraw/zinc/46/03/16/970460316.db2.gz MEJIKFRBEDOAGV-MRCXROJRSA-N -1 3 325.792 2.739 20 10 EFCDHM COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1[O-] ZINC000318677890 970460508 /nfs/dbraw/zinc/46/05/08/970460508.db2.gz MEJIKFRBEDOAGV-BHYNMZESSA-N -1 3 325.792 2.739 20 10 EFCDHM COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1[O-] ZINC000318677890 970460511 /nfs/dbraw/zinc/46/05/11/970460511.db2.gz MEJIKFRBEDOAGV-BHYNMZESSA-N -1 3 325.792 2.739 20 10 EFCDHM COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1[O-] ZINC000318677895 970460598 /nfs/dbraw/zinc/46/05/98/970460598.db2.gz MEJIKFRBEDOAGV-WFBYXXMGSA-N -1 3 325.792 2.739 20 10 EFCDHM COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1[O-] ZINC000318677895 970460602 /nfs/dbraw/zinc/46/06/02/970460602.db2.gz MEJIKFRBEDOAGV-WFBYXXMGSA-N -1 3 325.792 2.739 20 10 EFCDHM COc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c1[O-] ZINC000405379482 973859697 /nfs/dbraw/zinc/85/96/97/973859697.db2.gz WMTYWKXQLOMXQK-GFCCVEGCSA-N -1 3 325.792 2.741 20 10 EFCDHM CCCN(Cc1snc(OC)c1C(=O)[O-])Cc1ccccc1O ZINC001595891530 982927331 /nfs/dbraw/zinc/92/73/31/982927331.db2.gz WIJWZEPEKMEWOO-UHFFFAOYSA-N -1 3 336.413 2.968 20 10 EFCDHM CCC[N@H+](Cc1snc(OC)c1C(=O)[O-])Cc1ccccc1[O-] ZINC001595891530 982927336 /nfs/dbraw/zinc/92/73/36/982927336.db2.gz WIJWZEPEKMEWOO-UHFFFAOYSA-N -1 3 336.413 2.968 20 10 EFCDHM CCC[N@@H+](Cc1snc(OC)c1C(=O)[O-])Cc1ccccc1[O-] ZINC001595891530 982927339 /nfs/dbraw/zinc/92/73/39/982927339.db2.gz WIJWZEPEKMEWOO-UHFFFAOYSA-N -1 3 336.413 2.968 20 10 EFCDHM C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@@H](C(=O)[O-])O1 ZINC001599930048 985296322 /nfs/dbraw/zinc/29/63/22/985296322.db2.gz MOCKDJXRZSZDMM-UGSOOPFHSA-N -1 3 327.380 2.733 20 10 EFCDHM Cc1[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccccc2O)c(C)c1C(=O)[O-] ZINC001599943233 985481741 /nfs/dbraw/zinc/48/17/41/985481741.db2.gz IQFVFHHSCARAQV-PWSUYJOCSA-N -1 3 330.384 2.957 20 10 EFCDHM CCOc1ccc(C[NH2+][C@H](Cc2cccc(OC)c2)C(=O)[O-])c([O-])c1 ZINC001597101572 986720000 /nfs/dbraw/zinc/72/00/00/986720000.db2.gz ZYISLKLDHWOHSN-QGZVFWFLSA-N -1 3 345.395 2.585 20 10 EFCDHM COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])C2 ZINC001599632691 994241733 /nfs/dbraw/zinc/24/17/33/994241733.db2.gz KVJXQDFQRXEDOO-FZMZJTMJSA-N -1 3 343.379 2.753 20 10 EFCDHM C[C@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593236562 994406763 /nfs/dbraw/zinc/40/67/63/994406763.db2.gz GTQXUKKDXNHYCB-NSHDSACASA-N -1 3 347.440 2.802 20 10 EFCDHM C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241026 994433502 /nfs/dbraw/zinc/43/35/02/994433502.db2.gz UUQGCMNLGBBYSW-BBATYDOGSA-N -1 3 333.359 2.788 20 10 EFCDHM C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247235 994462744 /nfs/dbraw/zinc/46/27/44/994462744.db2.gz FQJIEEXGSGEEHT-ZUOKHONESA-N -1 3 341.407 2.618 20 10 EFCDHM C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593249253 994477241 /nfs/dbraw/zinc/47/72/41/994477241.db2.gz MSRSUNFPWNMNKH-WSXQUGQNSA-N -1 3 341.407 2.907 20 10 EFCDHM C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256457 994521494 /nfs/dbraw/zinc/52/14/94/994521494.db2.gz HZKRYXNPQDXDAD-OLZOCXBDSA-N -1 3 327.380 2.992 20 10 EFCDHM C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593360034 995021987 /nfs/dbraw/zinc/02/19/87/995021987.db2.gz NFXNXIJVZQSGFI-AUJRIZCKSA-N -1 3 341.407 2.834 20 10 EFCDHM COc1cc(C)c(C[N@@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c([O-])c1 ZINC001599390936 997034644 /nfs/dbraw/zinc/03/46/44/997034644.db2.gz CJGALBMYXZFPGA-HXUWFJFHSA-N -1 3 341.407 2.938 20 10 EFCDHM COc1cc(C)c(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c([O-])c1 ZINC001599390936 997034658 /nfs/dbraw/zinc/03/46/58/997034658.db2.gz CJGALBMYXZFPGA-HXUWFJFHSA-N -1 3 341.407 2.938 20 10 EFCDHM COc1cc(C)c(C[NH+]2CCC(c3cc(C(=O)[O-])on3)CC2)c([O-])c1 ZINC001599391438 997044087 /nfs/dbraw/zinc/04/40/87/997044087.db2.gz XNDWMBYUSZWZBU-UHFFFAOYSA-N -1 3 346.383 2.775 20 10 EFCDHM COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599211485 997508481 /nfs/dbraw/zinc/50/84/81/997508481.db2.gz LDMGMFWGSMVXFD-JSGCOSHPSA-N -1 3 333.384 2.982 20 10 EFCDHM COc1cc(Cl)cc(C[NH2+][C@@H](CC(F)(F)F)C(=O)[O-])c1[O-] ZINC001599420693 997589152 /nfs/dbraw/zinc/58/91/52/997589152.db2.gz PGKYTBXOFNMCCS-QMMMGPOBSA-N -1 3 327.686 2.549 20 10 EFCDHM COc1cc(OC)cc([C@H]([NH2+][C@H](C)c2ccccc2[O-])C(=O)[O-])c1 ZINC001599452596 998130825 /nfs/dbraw/zinc/13/08/25/998130825.db2.gz DLIOSBMWDOFEEX-DIFFPNOSSA-N -1 3 331.368 2.886 20 10 EFCDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc1C ZINC001599571443 998371572 /nfs/dbraw/zinc/37/15/72/998371572.db2.gz CBADDXPJXUNLPB-QGZVFWFLSA-N -1 3 331.368 2.633 20 10 EFCDHM COc1ccc(COCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599576021 998443747 /nfs/dbraw/zinc/44/37/47/998443747.db2.gz SZMUBHSAQKXWRA-CYBMUJFWSA-N -1 3 345.395 2.966 20 10 EFCDHM Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC001580451762 1090903783 /nfs/dbraw/zinc/90/37/83/1090903783.db2.gz ZWTGWVSGKSCESH-INIZCTEOSA-N -1 3 329.375 2.990 20 10 EFCDHM CC(C)OC1CCC([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001589740091 1093131476 /nfs/dbraw/zinc/13/14/76/1093131476.db2.gz XCQKABQJTJZKSN-IYXRBSQSSA-N -1 3 345.447 2.959 20 10 EFCDHM C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951954 1093192316 /nfs/dbraw/zinc/19/23/16/1093192316.db2.gz KBERSWHIFLELPQ-MLGOLLRUSA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956286 1093194154 /nfs/dbraw/zinc/19/41/54/1093194154.db2.gz PIXJPDLKISRLIK-OMTHAAKESA-N -1 3 343.431 2.571 20 10 EFCDHM C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959473 1093196677 /nfs/dbraw/zinc/19/66/77/1093196677.db2.gz WXFCHMVDDVAQAX-LBPRGKRZSA-N -1 3 338.415 2.596 20 10 EFCDHM CC[C@H]([NH2+][C@H](C)Cc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590461435 1093432789 /nfs/dbraw/zinc/43/27/89/1093432789.db2.gz DKVPHQWMPRIULP-WBMJQRKESA-N -1 3 338.415 2.639 20 10 EFCDHM CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@@H]1CCCCO1 ZINC001590461443 1093433104 /nfs/dbraw/zinc/43/31/04/1093433104.db2.gz DURIBIHVXHTHTN-CQDKDKBSSA-N -1 3 331.420 2.571 20 10 EFCDHM CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465700 1093436164 /nfs/dbraw/zinc/43/61/64/1093436164.db2.gz IHLMXZZTFHIGLZ-APYUEPQZSA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465702 1093436606 /nfs/dbraw/zinc/43/66/06/1093436606.db2.gz IHLMXZZTFHIGLZ-GUYJKWIASA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@H]([NH2+]CC[C@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466194 1093437158 /nfs/dbraw/zinc/43/71/58/1093437158.db2.gz IYNJSYANGMTOID-FZMZJTMJSA-N -1 3 333.461 2.756 20 10 EFCDHM CC[C@@H]([NH2+]Cc1cnc(C)s1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469265 1093442113 /nfs/dbraw/zinc/44/21/13/1093442113.db2.gz MOOSAPQRMHIIBS-CYBMUJFWSA-N -1 3 330.417 2.578 20 10 EFCDHM CC[C@H]([NH2+]Cc1nc(C)cs1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468890 1093442124 /nfs/dbraw/zinc/44/21/24/1093442124.db2.gz IOEWDXXTAXUILG-LBPRGKRZSA-N -1 3 330.417 2.578 20 10 EFCDHM CCOCCC1(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCC1 ZINC001590805783 1093579725 /nfs/dbraw/zinc/57/97/25/1093579725.db2.gz JSEXTIUWKRPOBV-CYBMUJFWSA-N -1 3 345.447 2.820 20 10 EFCDHM CCOc1ccc(O)c(CNc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001590838956 1093591555 /nfs/dbraw/zinc/59/15/55/1093591555.db2.gz OHRSVQLQGSTBPV-UHFFFAOYSA-N -1 3 329.335 2.722 20 10 EFCDHM CCOc1ccc(O)c(CNc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001590838956 1093591558 /nfs/dbraw/zinc/59/15/58/1093591558.db2.gz OHRSVQLQGSTBPV-UHFFFAOYSA-N -1 3 329.335 2.722 20 10 EFCDHM CN(C)c1ccc(CN(C)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001591031143 1093654617 /nfs/dbraw/zinc/65/46/17/1093654617.db2.gz FXNFOLFHKUZIOU-UHFFFAOYSA-N -1 3 326.379 2.708 20 10 EFCDHM CN(C)c1ccc(CN(C)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001591031143 1093654621 /nfs/dbraw/zinc/65/46/21/1093654621.db2.gz FXNFOLFHKUZIOU-UHFFFAOYSA-N -1 3 326.379 2.708 20 10 EFCDHM COCc1ccccc1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591459304 1093727173 /nfs/dbraw/zinc/72/71/73/1093727173.db2.gz NTHMXADCHCCNHX-LBPRGKRZSA-N -1 3 339.399 2.570 20 10 EFCDHM COc1c(C)cccc1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591479768 1093732678 /nfs/dbraw/zinc/73/26/78/1093732678.db2.gz MZVPCTWANCJUIL-LBPRGKRZSA-N -1 3 339.399 2.740 20 10 EFCDHM COc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c(O)c1 ZINC001591602658 1093789338 /nfs/dbraw/zinc/78/93/38/1093789338.db2.gz XGRRBYDVEJLWPD-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM COc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c(O)c1 ZINC001591602658 1093789347 /nfs/dbraw/zinc/78/93/47/1093789347.db2.gz XGRRBYDVEJLWPD-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM COc1ccc(N(C)Cc2ccncc2-c2nnn[n-]2)cc1Cl ZINC001591607434 1093793547 /nfs/dbraw/zinc/79/35/47/1093793547.db2.gz BYWJQLNWIPUVEP-UHFFFAOYSA-N -1 3 330.779 2.560 20 10 EFCDHM COc1ccc(N(C)Cc2ccncc2-c2nn[n-]n2)cc1Cl ZINC001591607434 1093793553 /nfs/dbraw/zinc/79/35/53/1093793553.db2.gz BYWJQLNWIPUVEP-UHFFFAOYSA-N -1 3 330.779 2.560 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC001591606608 1093795193 /nfs/dbraw/zinc/79/51/93/1093795193.db2.gz QTEHRZZLUCOCDP-UHFFFAOYSA-N -1 3 331.401 2.582 20 10 EFCDHM COc1ccc(O)c(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC001591619332 1093801503 /nfs/dbraw/zinc/80/15/03/1093801503.db2.gz WBLXGYHRAGWGCG-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM COc1ccc(O)c(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC001591619332 1093801506 /nfs/dbraw/zinc/80/15/06/1093801506.db2.gz WBLXGYHRAGWGCG-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1O ZINC001591768192 1093852951 /nfs/dbraw/zinc/85/29/51/1093852951.db2.gz FIIWSTOSJADLIP-VIFPVBQESA-N -1 3 342.334 2.594 20 10 EFCDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1O ZINC001591768192 1093852958 /nfs/dbraw/zinc/85/29/58/1093852958.db2.gz FIIWSTOSJADLIP-VIFPVBQESA-N -1 3 342.334 2.594 20 10 EFCDHM Cc1cc(C(=O)N2CC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC001591914369 1093916006 /nfs/dbraw/zinc/91/60/06/1093916006.db2.gz ZEBSWVYUHAUVNZ-LLVKDONJSA-N -1 3 336.399 2.509 20 10 EFCDHM Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592314505 1094073436 /nfs/dbraw/zinc/07/34/36/1094073436.db2.gz MGEDCFQMGOKXSO-ONGXEEELSA-N -1 3 344.444 2.792 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001593539452 1094349531 /nfs/dbraw/zinc/34/95/31/1094349531.db2.gz RQCFWTDMOQPART-UHFFFAOYSA-N -1 3 339.783 2.716 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001593539452 1094349539 /nfs/dbraw/zinc/34/95/39/1094349539.db2.gz RQCFWTDMOQPART-UHFFFAOYSA-N -1 3 339.783 2.716 20 10 EFCDHM S=C(NNc1ccc(Cl)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC001593542645 1094355590 /nfs/dbraw/zinc/35/55/90/1094355590.db2.gz XLDSCEZAPZSDPC-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM S=C(NNc1ccc(Cl)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC001593542645 1094355597 /nfs/dbraw/zinc/35/55/97/1094355597.db2.gz XLDSCEZAPZSDPC-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001600402157 1095038846 /nfs/dbraw/zinc/03/88/46/1095038846.db2.gz OFKCRNGNONLGPN-CJNGLKHVSA-N -1 3 329.396 2.653 20 10 EFCDHM CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(C)c(O)c1[O-] ZINC000780904842 1095200079 /nfs/dbraw/zinc/20/00/79/1095200079.db2.gz SIGQDTFDVHCQDH-UHFFFAOYSA-N -1 3 340.379 2.958 20 10 EFCDHM O=C([O-])[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC001601674194 1095807632 /nfs/dbraw/zinc/80/76/32/1095807632.db2.gz CHDAQEXNLHMRSV-GOSISDBHSA-N -1 3 327.380 2.924 20 10 EFCDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCc2cc(O)ccc2O)n1 ZINC001603115589 1096447051 /nfs/dbraw/zinc/44/70/51/1096447051.db2.gz HHVQLQGMLCYPGH-UHFFFAOYSA-N -1 3 340.387 2.583 20 10 EFCDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCc2cc(O)ccc2O)n1 ZINC001603115589 1096447056 /nfs/dbraw/zinc/44/70/56/1096447056.db2.gz HHVQLQGMLCYPGH-UHFFFAOYSA-N -1 3 340.387 2.583 20 10 EFCDHM C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603656985 1096579789 /nfs/dbraw/zinc/57/97/89/1096579789.db2.gz KAODXVWVZGLMTJ-MRVPVSSYSA-N -1 3 327.310 2.565 20 10 EFCDHM C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658023 1096581160 /nfs/dbraw/zinc/58/11/60/1096581160.db2.gz RLUAEEMBASNCAW-ISVAXAHUSA-N -1 3 342.230 2.807 20 10 EFCDHM CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658408 1096582361 /nfs/dbraw/zinc/58/23/61/1096582361.db2.gz UPVYCOXNOADZAP-OGHNNQOOSA-N -1 3 345.447 2.674 20 10 EFCDHM CC[C@H]([NH2+]CC[C@H]1CCO[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054463 1096712729 /nfs/dbraw/zinc/71/27/29/1096712729.db2.gz HZHOEEJDGUHOGA-XEZPLFJOSA-N -1 3 345.447 2.818 20 10 EFCDHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]Cc1ccccc1[O-] ZINC001604077218 1096722470 /nfs/dbraw/zinc/72/24/70/1096722470.db2.gz UYOXDOKPYAJOGA-LBPRGKRZSA-N -1 3 328.368 2.597 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001604214797 1096774421 /nfs/dbraw/zinc/77/44/21/1096774421.db2.gz JYPFTFQYIJNCOG-UHFFFAOYSA-N -1 3 337.383 2.625 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001604214797 1096774425 /nfs/dbraw/zinc/77/44/25/1096774425.db2.gz JYPFTFQYIJNCOG-UHFFFAOYSA-N -1 3 337.383 2.625 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001604215311 1096775701 /nfs/dbraw/zinc/77/57/01/1096775701.db2.gz MNTCMBHGPYTCOF-UHFFFAOYSA-N -1 3 337.383 2.625 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001604215311 1096775706 /nfs/dbraw/zinc/77/57/06/1096775706.db2.gz MNTCMBHGPYTCOF-UHFFFAOYSA-N -1 3 337.383 2.625 20 10 EFCDHM C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326216 1096811839 /nfs/dbraw/zinc/81/18/39/1096811839.db2.gz ROZLQZBJSSOQKD-WMLDXEAASA-N -1 3 342.439 2.914 20 10 EFCDHM C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340566 1096820121 /nfs/dbraw/zinc/82/01/21/1096820121.db2.gz JQBYSUBMZNZORB-JTQLQIEISA-N -1 3 332.425 2.929 20 10 EFCDHM CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C12CCC2 ZINC001604412419 1096843669 /nfs/dbraw/zinc/84/36/69/1096843669.db2.gz JYHHYTNJVWYGBL-TUKIKUTGSA-N -1 3 343.431 2.571 20 10 EFCDHM COc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c(C)c1 ZINC001605283982 1097080623 /nfs/dbraw/zinc/08/06/23/1097080623.db2.gz XCXXDLUXMPVIID-GFCCVEGCSA-N -1 3 339.399 2.740 20 10 EFCDHM COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1-c1nnn[n-]1 ZINC001605283867 1097081415 /nfs/dbraw/zinc/08/14/15/1097081415.db2.gz TWZYSDZHPKSOCI-SNVBAGLBSA-N -1 3 343.362 2.571 20 10 EFCDHM COc1ccc2c(c1)CCCN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC001605307615 1097090408 /nfs/dbraw/zinc/09/04/08/1097090408.db2.gz CDFBNMRMMAUGTM-UHFFFAOYSA-N -1 3 339.374 2.967 20 10 EFCDHM COc1ccc2c(c1)CCCN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001605307615 1097090414 /nfs/dbraw/zinc/09/04/14/1097090414.db2.gz CDFBNMRMMAUGTM-UHFFFAOYSA-N -1 3 339.374 2.967 20 10 EFCDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1O ZINC001605439792 1097126321 /nfs/dbraw/zinc/12/63/21/1097126321.db2.gz ZLJBHOZRKHSOCD-VIFPVBQESA-N -1 3 343.774 2.717 20 10 EFCDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1O ZINC001605439792 1097126328 /nfs/dbraw/zinc/12/63/28/1097126328.db2.gz ZLJBHOZRKHSOCD-VIFPVBQESA-N -1 3 343.774 2.717 20 10 EFCDHM Cc1csc(NC(=O)N(C)Cc2ccccc2O)c1-c1nnn[n-]1 ZINC001606004723 1097296839 /nfs/dbraw/zinc/29/68/39/1097296839.db2.gz HRINUQOKNILRRZ-UHFFFAOYSA-N -1 3 344.400 2.606 20 10 EFCDHM Cc1csc(NC(=O)N(C)Cc2ccccc2O)c1-c1nn[n-]n1 ZINC001606004723 1097296843 /nfs/dbraw/zinc/29/68/43/1097296843.db2.gz HRINUQOKNILRRZ-UHFFFAOYSA-N -1 3 344.400 2.606 20 10 EFCDHM Cc1ncccc1C=CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001606094985 1097317267 /nfs/dbraw/zinc/31/72/67/1097317267.db2.gz YZTOXNJSPWTUST-KTKRTIGZSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ncccc1C=CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001606094985 1097317273 /nfs/dbraw/zinc/31/72/73/1097317273.db2.gz YZTOXNJSPWTUST-KTKRTIGZSA-N -1 3 346.394 2.563 20 10 EFCDHM CO[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])Cc1ccccc1 ZINC001606679313 1097441556 /nfs/dbraw/zinc/44/15/56/1097441556.db2.gz DEIQGOHBZXFKDD-CZUORRHYSA-N -1 3 329.396 2.999 20 10 EFCDHM COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001606805960 1097457973 /nfs/dbraw/zinc/45/79/73/1097457973.db2.gz WJYJHAXUXFNMLM-BBRMVZONSA-N -1 3 329.396 2.999 20 10 EFCDHM Cc1ccc(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001607780972 1097731212 /nfs/dbraw/zinc/73/12/12/1097731212.db2.gz HTTICSGNFUGCET-DLBZAZTESA-N -1 3 327.380 2.706 20 10 EFCDHM Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001607780972 1097731218 /nfs/dbraw/zinc/73/12/18/1097731218.db2.gz HTTICSGNFUGCET-DLBZAZTESA-N -1 3 327.380 2.706 20 10 EFCDHM Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001607849518 1097753260 /nfs/dbraw/zinc/75/32/60/1097753260.db2.gz AWRSZYXGNZIIKA-XJKSGUPXSA-N -1 3 329.396 2.653 20 10 EFCDHM Cn1c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C(=O)[O-] ZINC001608086081 1097830971 /nfs/dbraw/zinc/83/09/71/1097830971.db2.gz YGWRJLAPQRPSBS-INIZCTEOSA-N -1 3 344.411 2.610 20 10 EFCDHM Cc1cc(-c2nnn[n-]2)cc(NCc2c(O)ccc3c2CCCC3)n1 ZINC001609386124 1098277741 /nfs/dbraw/zinc/27/77/41/1098277741.db2.gz LEKIFQFVWHHMTI-UHFFFAOYSA-N -1 3 336.399 2.767 20 10 EFCDHM Cc1cc(-c2nn[n-]n2)cc(NCc2c(O)ccc3c2CCCC3)n1 ZINC001609386124 1098277746 /nfs/dbraw/zinc/27/77/46/1098277746.db2.gz LEKIFQFVWHHMTI-UHFFFAOYSA-N -1 3 336.399 2.767 20 10 EFCDHM Cc1cc(C=C2SC(=S)N(C3CC3)C2=O)ccc1-c1nnn[n-]1 ZINC001609399851 1098289209 /nfs/dbraw/zinc/28/92/09/1098289209.db2.gz QXAQPCQIBFRXNC-KPKJPENVSA-N -1 3 343.437 2.539 20 10 EFCDHM Cc1cc(C=C2SC(=S)N(C3CC3)C2=O)ccc1-c1nn[n-]n1 ZINC001609399851 1098289215 /nfs/dbraw/zinc/28/92/15/1098289215.db2.gz QXAQPCQIBFRXNC-KPKJPENVSA-N -1 3 343.437 2.539 20 10 EFCDHM C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609772356 1098452559 /nfs/dbraw/zinc/45/25/59/1098452559.db2.gz CENKOOXOHPZZMH-ZJNRKIDTSA-N -1 3 329.396 2.733 20 10 EFCDHM C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609773503 1098453568 /nfs/dbraw/zinc/45/35/68/1098453568.db2.gz OHMIXFANKYSCKB-SJCJKPOMSA-N -1 3 343.427 2.507 20 10 EFCDHM C[C@@H]([NH2+]CCCOCC1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781715 1098456556 /nfs/dbraw/zinc/45/65/56/1098456556.db2.gz XODHISVYDNEJGL-CYBMUJFWSA-N -1 3 337.416 2.574 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC001610207593 1098571638 /nfs/dbraw/zinc/57/16/38/1098571638.db2.gz IWCWOHHNLSSHOE-AAEUAGOBSA-N -1 3 343.379 2.627 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC001610207593 1098571647 /nfs/dbraw/zinc/57/16/47/1098571647.db2.gz IWCWOHHNLSSHOE-AAEUAGOBSA-N -1 3 343.379 2.627 20 10 EFCDHM COc1cccc([O-])c1C[NH2+][C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001610357263 1098636921 /nfs/dbraw/zinc/63/69/21/1098636921.db2.gz UYTHFKAPLBRUPE-UKRRQHHQSA-N -1 3 329.396 2.822 20 10 EFCDHM Cc1cc(CN[C@](C)(CC(=O)[O-])c2ccccn2)ccc1N(C)C ZINC001610461810 1098692882 /nfs/dbraw/zinc/69/28/82/1098692882.db2.gz UHLKQBDEGPRMOG-LJQANCHMSA-N -1 3 327.428 2.936 20 10 EFCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[C@@]1(O)C(F)(F)F ZINC001142508976 1106040348 /nfs/dbraw/zinc/04/03/48/1106040348.db2.gz RKORSPDHWYYOPJ-OQPBUACISA-N -1 3 325.277 2.806 20 10 EFCDHM COC(=O)CCN(Cc1ccco1)Cc1cc(F)c(F)cc1[O-] ZINC001142520405 1106107232 /nfs/dbraw/zinc/10/72/32/1106107232.db2.gz IICRZAOBUQRRMN-UHFFFAOYSA-N -1 3 325.311 2.829 20 10 EFCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530347 1106227994 /nfs/dbraw/zinc/22/79/94/1106227994.db2.gz FJYKXTZVTUJCQJ-BXUZGUMPSA-N -1 3 340.370 2.722 20 10 EFCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142530349 1106228152 /nfs/dbraw/zinc/22/81/52/1106228152.db2.gz FJYKXTZVTUJCQJ-RISCZKNCSA-N -1 3 340.370 2.722 20 10 EFCDHM CC[C@@H]1C(=O)NCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000898545389 1109001983 /nfs/dbraw/zinc/00/19/83/1109001983.db2.gz IVMYMHVDNIZKAN-CYBMUJFWSA-N -1 3 341.249 2.564 20 10 EFCDHM C[C@H]1CN(Cc2cc(F)cc(Br)c2[O-])CCC[C@H]1O ZINC001235296080 1111725855 /nfs/dbraw/zinc/72/58/55/1111725855.db2.gz HEYZQYJUQHPZAE-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM CC(=O)Nc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168522358 1111996367 /nfs/dbraw/zinc/99/63/67/1111996367.db2.gz POIKPTUZCZLYMS-UHFFFAOYSA-N -1 3 343.774 2.954 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN(C/C=C/c2ccccc2)CC1 ZINC000185652278 1120410824 /nfs/dbraw/zinc/41/08/24/1120410824.db2.gz HFUIWBSAZIUGOL-VMPITWQZSA-N -1 3 338.407 2.569 20 10 EFCDHM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cccc(O)c1[O-] ZINC000185783901 1120628279 /nfs/dbraw/zinc/62/82/79/1120628279.db2.gz VHONAAXTNNRTQP-UHFFFAOYSA-N -1 3 332.303 2.845 20 10 EFCDHM Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(C)c(O)c2[O-])c(C)c1 ZINC000177669223 239386461 /nfs/dbraw/zinc/38/64/61/239386461.db2.gz PZEGFWJRDXHZLS-UHFFFAOYSA-N -1 3 342.395 2.700 20 10 EFCDHM Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1O ZINC000177676073 239388410 /nfs/dbraw/zinc/38/84/10/239388410.db2.gz KYDJBXAANWYQIY-CYBMUJFWSA-N -1 3 344.386 2.802 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1O ZINC000177676061 239389372 /nfs/dbraw/zinc/38/93/72/239389372.db2.gz KYDJBXAANWYQIY-ZDUSSCGKSA-N -1 3 344.386 2.802 20 10 EFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1noc(-c2ccccc2)n1 ZINC000193134102 240084995 /nfs/dbraw/zinc/08/49/95/240084995.db2.gz PCAFNJGKXBZWBT-SNVBAGLBSA-N -1 3 325.324 2.639 20 10 EFCDHM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC000192990397 240078976 /nfs/dbraw/zinc/07/89/76/240078976.db2.gz QPAPOZBTXMDJJP-RDTXWAMCSA-N -1 3 327.380 2.996 20 10 EFCDHM CCc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000193107863 240087526 /nfs/dbraw/zinc/08/75/26/240087526.db2.gz JEJJBRJJCJNWJI-UHFFFAOYSA-N -1 3 326.396 2.623 20 10 EFCDHM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000294169737 241037488 /nfs/dbraw/zinc/03/74/88/241037488.db2.gz RHCCGIXRGSHXJJ-LBPRGKRZSA-N -1 3 330.359 2.588 20 10 EFCDHM COc1ccc(CNCc2cc(Cl)cc(OC)c2[O-])c(OC)n1 ZINC000290897675 241020592 /nfs/dbraw/zinc/02/05/92/241020592.db2.gz LVPQXUWMBCDAOD-UHFFFAOYSA-N -1 3 338.791 2.756 20 10 EFCDHM Cc1ccc(C(=O)N2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)c([O-])c1O ZINC000294059979 241032035 /nfs/dbraw/zinc/03/20/35/241032035.db2.gz KBLXPTSYOCMNFV-STQMWFEESA-N -1 3 348.443 2.514 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1[O-] ZINC000294702940 241050104 /nfs/dbraw/zinc/05/01/04/241050104.db2.gz DCCOADWGSLRPFV-CYBMUJFWSA-N -1 3 342.823 2.717 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccc(F)cn3)CC2)c1[O-] ZINC000367749241 242391604 /nfs/dbraw/zinc/39/16/04/242391604.db2.gz MGAZYXYPSJCOBN-UHFFFAOYSA-N -1 3 347.365 2.590 20 10 EFCDHM CC(C)[C@@]1(CO)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000378130789 242522140 /nfs/dbraw/zinc/52/21/40/242522140.db2.gz OCSKKPSZPJGKKZ-HNNXBMFYSA-N -1 3 328.796 2.794 20 10 EFCDHM C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(F)cc1[O-] ZINC000184986224 287041619 /nfs/dbraw/zinc/04/16/19/287041619.db2.gz NPRSZFSTLOPCTG-CYBMUJFWSA-N -1 3 331.391 2.614 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCCCO1 ZINC000111238276 277321178 /nfs/dbraw/zinc/32/11/78/277321178.db2.gz SDXGJJDDPFRMPZ-CQSZACIVSA-N -1 3 327.808 2.590 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000363997754 278244370 /nfs/dbraw/zinc/24/43/70/278244370.db2.gz UXIWYCSZQPVNIT-FNFWKMNBSA-N -1 3 337.391 2.502 20 10 EFCDHM CC[C@@H](NC(c1nccn1C)c1nccn1C)c1ccccc1[O-] ZINC000527943462 316500804 /nfs/dbraw/zinc/50/08/04/316500804.db2.gz DOCPPUMODOSZIX-CQSZACIVSA-N -1 3 325.416 2.690 20 10 EFCDHM CC[C@H](NC(c1nccn1C)c1nccn1C)c1ccc(C)cc1[O-] ZINC000527944530 316501354 /nfs/dbraw/zinc/50/13/54/316501354.db2.gz FNMTXQWCGVHIQK-HNNXBMFYSA-N -1 3 339.443 2.998 20 10 EFCDHM CCCOc1ccc([C@H]2NC(=O)CN2Cc2ccccc2)c([O-])c1 ZINC000112368884 473262880 /nfs/dbraw/zinc/26/28/80/473262880.db2.gz PYQJUHUOYMGNAR-IBGZPJMESA-N -1 3 326.396 2.812 20 10 EFCDHM C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(F)cc1[O-] ZINC000184986205 473291550 /nfs/dbraw/zinc/29/15/50/473291550.db2.gz NPRSZFSTLOPCTG-ZDUSSCGKSA-N -1 3 331.391 2.614 20 10 EFCDHM CC(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177058433 473296549 /nfs/dbraw/zinc/29/65/49/473296549.db2.gz CZCNVRRVISLCRY-CYBMUJFWSA-N -1 3 338.835 2.596 20 10 EFCDHM C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185165797 473349477 /nfs/dbraw/zinc/34/94/77/473349477.db2.gz WIRZVELEXRRZPV-AWEZNQCLSA-N -1 3 344.434 2.529 20 10 EFCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000012776324 471795618 /nfs/dbraw/zinc/79/56/18/471795618.db2.gz UVIDFXPLAZOCHI-UHFFFAOYSA-N -1 3 343.427 2.993 20 10 EFCDHM COCCCN(CCOC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000128950459 472511984 /nfs/dbraw/zinc/51/19/84/472511984.db2.gz VLUIHVZVQALOKY-UHFFFAOYSA-N -1 3 329.824 2.733 20 10 EFCDHM CN1c2ccccc2C(=O)N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000077472044 472532336 /nfs/dbraw/zinc/53/23/36/472532336.db2.gz ZDRFLVDEXALWLB-AWEZNQCLSA-N -1 3 349.184 2.739 20 10 EFCDHM COc1ccccc1[C@H](NCc1ccccc1[O-])c1noc(C)n1 ZINC000073008372 472757812 /nfs/dbraw/zinc/75/78/12/472757812.db2.gz CTPBKWRSLBUMOG-KRWDZBQOSA-N -1 3 325.368 2.971 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCN1C ZINC000120996062 472780443 /nfs/dbraw/zinc/78/04/43/472780443.db2.gz XJPIFRMDXOIEDK-CYBMUJFWSA-N -1 3 341.249 2.597 20 10 EFCDHM COc1ccnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000121050907 472789481 /nfs/dbraw/zinc/78/94/81/472789481.db2.gz JCROLPDQGRLALR-GOSISDBHSA-N -1 3 328.412 2.977 20 10 EFCDHM COc1ccnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000121050703 472789819 /nfs/dbraw/zinc/78/98/19/472789819.db2.gz JCROLPDQGRLALR-SFHVURJKSA-N -1 3 328.412 2.977 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091925941 472827903 /nfs/dbraw/zinc/82/79/03/472827903.db2.gz WCGZVRIMPQMSQJ-GJZGRUSLSA-N -1 3 342.233 2.535 20 10 EFCDHM CCCOc1ccc(CN2CCO[C@@](C)(c3cnn(C)c3)C2)c([O-])c1 ZINC000092017004 472844215 /nfs/dbraw/zinc/84/42/15/472844215.db2.gz QYLJBYBAKUMNKY-LJQANCHMSA-N -1 3 345.443 2.662 20 10 EFCDHM CNC(=O)[C@@H]1CCCCN1Cc1cc(Br)cc(C)c1[O-] ZINC000158027238 472885659 /nfs/dbraw/zinc/88/56/59/472885659.db2.gz NEWYLPVICHPDFJ-ZDUSSCGKSA-N -1 3 341.249 2.564 20 10 EFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccncc1 ZINC000158078541 472890233 /nfs/dbraw/zinc/89/02/33/472890233.db2.gz AQUYJPDGNFRTOP-INIZCTEOSA-N -1 3 345.830 2.835 20 10 EFCDHM CCCOCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134265373 472890415 /nfs/dbraw/zinc/89/04/15/472890415.db2.gz ULYABUDKEYGRKH-HNNXBMFYSA-N -1 3 340.851 2.553 20 10 EFCDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000158082674 472890993 /nfs/dbraw/zinc/89/09/93/472890993.db2.gz OIBURHIEJAYWJK-AWEZNQCLSA-N -1 3 349.818 2.736 20 10 EFCDHM COCCOC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093339434 473087523 /nfs/dbraw/zinc/08/75/23/473087523.db2.gz QYDXHXWBIYOKST-UHFFFAOYSA-N -1 3 344.795 2.581 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCOC ZINC000075417119 473184427 /nfs/dbraw/zinc/18/44/27/473184427.db2.gz HLAUPQZAFCAKGD-UHFFFAOYSA-N -1 3 330.222 2.930 20 10 EFCDHM CN(Cc1ccccc1[O-])[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000111234979 473197721 /nfs/dbraw/zinc/19/77/21/473197721.db2.gz BYEAWEMURWFBSM-SFHVURJKSA-N -1 3 328.387 2.983 20 10 EFCDHM COc1ccccc1[C@@H](C)NC(=O)CN(C)Cc1ccccc1[O-] ZINC000111236126 473197872 /nfs/dbraw/zinc/19/78/72/473197872.db2.gz DNAHWHYPMRDOIU-CQSZACIVSA-N -1 3 328.412 2.710 20 10 EFCDHM CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000111236332 473198443 /nfs/dbraw/zinc/19/84/43/473198443.db2.gz WDDAMFHZARXHMH-UHFFFAOYSA-N -1 3 349.452 2.697 20 10 EFCDHM Cc1ccc(C(=O)N2CCN([C@H](C)c3ccsc3)CC2)c([O-])c1O ZINC000185384160 473412517 /nfs/dbraw/zinc/41/25/17/473412517.db2.gz UXOKVKZYJOMFAL-CYBMUJFWSA-N -1 3 346.452 2.987 20 10 EFCDHM CCc1ccc([C@H]2COCCN2C(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000177686870 473416431 /nfs/dbraw/zinc/41/64/31/473416431.db2.gz PKFNYDCXTFVBRT-CQSZACIVSA-N -1 3 331.368 2.775 20 10 EFCDHM CN(c1ccccc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000185817255 473521915 /nfs/dbraw/zinc/52/19/15/473521915.db2.gz NKGPDISEZPAPTO-UHFFFAOYSA-N -1 3 326.396 2.839 20 10 EFCDHM CCO[C@@H]1C[C@@H](O)C12CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000191394965 473534986 /nfs/dbraw/zinc/53/49/86/473534986.db2.gz KAMMYISJZUBXGG-HUUCEWRRSA-N -1 3 343.826 2.937 20 10 EFCDHM Cc1cc(N2CC[C@@H](N[C@H](C)c3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000186083085 473586642 /nfs/dbraw/zinc/58/66/42/473586642.db2.gz RCUWAQXPWJRCFK-BXUZGUMPSA-N -1 3 348.834 2.544 20 10 EFCDHM Cc1cc(N2CC[C@H](N[C@@H](C)c3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000186083029 473586739 /nfs/dbraw/zinc/58/67/39/473586739.db2.gz RCUWAQXPWJRCFK-FZMZJTMJSA-N -1 3 348.834 2.544 20 10 EFCDHM Cc1ccc(C(=O)NCc2nnc(-c3ccccc3)s2)c([O-])c1O ZINC000179545211 473693817 /nfs/dbraw/zinc/69/38/17/473693817.db2.gz YVZIUIJUVOBUBV-UHFFFAOYSA-N -1 3 341.392 2.855 20 10 EFCDHM CCOc1ccccc1C(=O)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179556907 473694694 /nfs/dbraw/zinc/69/46/94/473694694.db2.gz DZNLMYZBDONHPT-UHFFFAOYSA-N -1 3 340.423 2.749 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3[O-])CC2)cc1F ZINC000179561794 473694880 /nfs/dbraw/zinc/69/48/80/473694880.db2.gz VPDXJYVHUZSOAW-UHFFFAOYSA-N -1 3 328.387 2.798 20 10 EFCDHM CCCCN(Cc1cccc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179567958 473695501 /nfs/dbraw/zinc/69/55/01/473695501.db2.gz BUEBAWCHXQZEMC-CYBMUJFWSA-N -1 3 331.865 2.835 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000186780936 473754662 /nfs/dbraw/zinc/75/46/62/473754662.db2.gz VXRKSRDYSYESDH-UHFFFAOYSA-N -1 3 346.814 2.709 20 10 EFCDHM COCCN(CCCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000192991954 473757345 /nfs/dbraw/zinc/75/73/45/473757345.db2.gz OOFOTTOZDABRGW-UHFFFAOYSA-N -1 3 329.396 2.819 20 10 EFCDHM CC1CCN(c2ccc(CNC(=O)c3cccc(O)c3[O-])cn2)CC1 ZINC000186953729 473786504 /nfs/dbraw/zinc/78/65/04/473786504.db2.gz DBXBPXUAIZRVHC-UHFFFAOYSA-N -1 3 341.411 2.659 20 10 EFCDHM O=C(NCc1ccc(N2CCCCCC2)nc1)c1cccc(O)c1[O-] ZINC000186953962 473787197 /nfs/dbraw/zinc/78/71/97/473787197.db2.gz UWDRQJWESRRZMB-UHFFFAOYSA-N -1 3 341.411 2.803 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000186975655 473792673 /nfs/dbraw/zinc/79/26/73/473792673.db2.gz LVNBDRGVQLGDRA-UHFFFAOYSA-N -1 3 337.379 2.994 20 10 EFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000281655368 473796653 /nfs/dbraw/zinc/79/66/53/473796653.db2.gz KHRNWPCZIXBGCH-GOSISDBHSA-N -1 3 328.368 2.614 20 10 EFCDHM COc1ccc(CN2CCCN(Cc3ccccc3[O-])CC2=O)cc1 ZINC000274415936 473813092 /nfs/dbraw/zinc/81/30/92/473813092.db2.gz NJWZELIKRTVVAA-UHFFFAOYSA-N -1 3 340.423 2.635 20 10 EFCDHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187114068 473820212 /nfs/dbraw/zinc/82/02/12/473820212.db2.gz INVIHYHJGBAXRB-CYBMUJFWSA-N -1 3 343.354 2.972 20 10 EFCDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187766134 473917345 /nfs/dbraw/zinc/91/73/45/473917345.db2.gz ZSIGAHHSGSBBOM-SECBINFHSA-N -1 3 325.359 2.826 20 10 EFCDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc2O1 ZINC000264343262 473960221 /nfs/dbraw/zinc/96/02/21/473960221.db2.gz ZCJKPIWHLNKPAV-SNVBAGLBSA-N -1 3 333.365 2.540 20 10 EFCDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc2O1 ZINC000264343259 473961127 /nfs/dbraw/zinc/96/11/27/473961127.db2.gz ZCJKPIWHLNKPAV-JTQLQIEISA-N -1 3 333.365 2.540 20 10 EFCDHM COc1cc(Cl)cc(CN[C@]2(CO)CCOc3ccccc32)c1[O-] ZINC000282167566 473968777 /nfs/dbraw/zinc/96/87/77/473968777.db2.gz DUGUKJQPUDOJRA-SFHVURJKSA-N -1 3 349.814 2.814 20 10 EFCDHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000188074273 473972867 /nfs/dbraw/zinc/97/28/67/473972867.db2.gz YICURPLXESEJEL-LBPRGKRZSA-N -1 3 338.367 2.512 20 10 EFCDHM Cc1nc(C(C)(C)NCc2cc(Br)ccc2[O-])no1 ZINC000264401047 473977852 /nfs/dbraw/zinc/97/78/52/473977852.db2.gz OEKMLVHUYLSHEY-UHFFFAOYSA-N -1 3 326.194 2.871 20 10 EFCDHM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000274948501 474024451 /nfs/dbraw/zinc/02/44/51/474024451.db2.gz HPMVLXWBJKWBCV-HNNXBMFYSA-N -1 3 337.379 2.962 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@H]1C=CCC1 ZINC000181587930 474049768 /nfs/dbraw/zinc/04/97/68/474049768.db2.gz WBVUGUVNOAVMQQ-LBPRGKRZSA-N -1 3 337.803 2.904 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1ccc(C)o1 ZINC000181588473 474051027 /nfs/dbraw/zinc/05/10/27/474051027.db2.gz OIUBEUDUVGHOPF-UHFFFAOYSA-N -1 3 337.759 2.762 20 10 EFCDHM COC[C@@H]1CN(Cc2cc(Br)cc(C)c2[O-])C[C@H](C)O1 ZINC000188361628 474071059 /nfs/dbraw/zinc/07/10/59/474071059.db2.gz YXDAQTSUKYQMTH-FZMZJTMJSA-N -1 3 344.249 2.699 20 10 EFCDHM COC(=O)[C@H](NCc1cc2c(cc1[O-])OCO2)c1cc(C)cc(C)c1 ZINC000275119694 474075884 /nfs/dbraw/zinc/07/58/84/474075884.db2.gz ISBJFMRTQVUSRK-GOSISDBHSA-N -1 3 343.379 2.742 20 10 EFCDHM CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182141158 474108519 /nfs/dbraw/zinc/10/85/19/474108519.db2.gz YUZAZWLWFOQNCU-UHFFFAOYSA-N -1 3 348.443 2.563 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c([O-])c1O ZINC000182372467 474159138 /nfs/dbraw/zinc/15/91/38/474159138.db2.gz CBAYWLZQSJQBOF-UHFFFAOYSA-N -1 3 326.352 2.933 20 10 EFCDHM O=S(=O)(CCNCc1c([O-])cccc1Cl)Cc1ccccc1 ZINC000264938043 474162415 /nfs/dbraw/zinc/16/24/15/474162415.db2.gz FBOBCQMRGNVNGQ-UHFFFAOYSA-N -1 3 339.844 2.750 20 10 EFCDHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2c([O-])cccc2Cl)C1 ZINC000289209920 474184356 /nfs/dbraw/zinc/18/43/56/474184356.db2.gz BXNKQJYSIHJLLG-ZDUSSCGKSA-N -1 3 337.725 2.973 20 10 EFCDHM COc1ccc(CS(C)(=O)=O)cc1NCc1cc(F)ccc1[O-] ZINC000289215965 474186637 /nfs/dbraw/zinc/18/66/37/474186637.db2.gz CFGQZKNTUGRQJN-UHFFFAOYSA-N -1 3 339.388 2.697 20 10 EFCDHM Cc1ccc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)c([O-])c1O ZINC000182606080 474216653 /nfs/dbraw/zinc/21/66/53/474216653.db2.gz SQDXZRZWOXUSMS-ZFWWWQNUSA-N -1 3 329.396 2.691 20 10 EFCDHM C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289612048 474345240 /nfs/dbraw/zinc/34/52/40/474345240.db2.gz LGTCXYRFNKOACA-BXUZGUMPSA-N -1 3 345.270 2.994 20 10 EFCDHM Cc1ccc(NCc2cc(F)ccc2[O-])cc1S(=O)(=O)N(C)C ZINC000289628159 474353282 /nfs/dbraw/zinc/35/32/82/474353282.db2.gz WSJVXYFRXQWMDZ-UHFFFAOYSA-N -1 3 338.404 2.702 20 10 EFCDHM COc1c([O-])c(CN[C@H](C)c2c(F)cncc2F)ccc1[N+](=O)[O-] ZINC000289643619 474359428 /nfs/dbraw/zinc/35/94/28/474359428.db2.gz MLCHKGCZCLCCHI-MRVPVSSYSA-N -1 3 339.298 2.833 20 10 EFCDHM COc1c([O-])c(CNC(C)(C)c2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000289690515 474379331 /nfs/dbraw/zinc/37/93/31/474379331.db2.gz FLOPBFJPAWGGMB-UHFFFAOYSA-N -1 3 335.360 2.939 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccnn1C ZINC000266562189 474436216 /nfs/dbraw/zinc/43/62/16/474436216.db2.gz VONADUMRHWLKMQ-UHFFFAOYSA-N -1 3 338.205 2.551 20 10 EFCDHM CCOC(=O)[C@H](NCc1ccccc1[O-])c1ccc(OC)c(F)c1 ZINC000189672279 474461605 /nfs/dbraw/zinc/46/16/05/474461605.db2.gz OEEVWQCZJGBOAN-QGZVFWFLSA-N -1 3 333.359 2.934 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c([O-])c1O ZINC000271319085 474488520 /nfs/dbraw/zinc/48/85/20/474488520.db2.gz WZFZGWAZLOBCCZ-CQSZACIVSA-N -1 3 329.352 2.826 20 10 EFCDHM COc1ccccc1S(=O)(=O)CCCN(C)Cc1ccccc1[O-] ZINC000184256786 474491281 /nfs/dbraw/zinc/49/12/81/474491281.db2.gz WZONQANWXAGAAB-UHFFFAOYSA-N -1 3 349.452 2.697 20 10 EFCDHM COc1c([O-])c(CN[C@H]2c3ccccc3O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289985832 474515408 /nfs/dbraw/zinc/51/54/08/474515408.db2.gz BWOYUSNPQQYFGB-MEBBXXQBSA-N -1 3 330.340 2.921 20 10 EFCDHM COC(=O)[C@@H](Cc1ccccc1)NCc1cc(Cl)cc(OC)c1[O-] ZINC000276408487 474532337 /nfs/dbraw/zinc/53/23/37/474532337.db2.gz FAZHLHIJBWJZHS-OAHLLOKOSA-N -1 3 349.814 2.928 20 10 EFCDHM COC(=O)[C@@H](NCc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000276408226 474532914 /nfs/dbraw/zinc/53/29/14/474532914.db2.gz DYVXLSJSBWBAFG-LBPRGKRZSA-N -1 3 328.206 2.504 20 10 EFCDHM CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000241775890 474558680 /nfs/dbraw/zinc/55/86/80/474558680.db2.gz RPYNJRYURCJDMH-NVXWUHKLSA-N -1 3 334.460 2.534 20 10 EFCDHM CC(C)S(=O)(=O)CCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000290187355 474561161 /nfs/dbraw/zinc/56/11/61/474561161.db2.gz OGTMSALPNFARCX-UHFFFAOYSA-N -1 3 326.245 2.612 20 10 EFCDHM CN(Cc1nncn1C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000290248491 474563329 /nfs/dbraw/zinc/56/33/29/474563329.db2.gz VKTJIBMORRLEOK-UHFFFAOYSA-N -1 3 338.411 2.732 20 10 EFCDHM [O-]c1ccc(F)cc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000290273354 474563870 /nfs/dbraw/zinc/56/38/70/474563870.db2.gz YCUGRSVNSVKHIQ-ZDUSSCGKSA-N -1 3 332.375 2.631 20 10 EFCDHM CCCOc1ccc(CN[C@H](C(=O)OC)c2cccc(O)c2)c([O-])c1 ZINC000276740631 474569859 /nfs/dbraw/zinc/56/98/59/474569859.db2.gz IYILJJQBRONEMB-SFHVURJKSA-N -1 3 345.395 2.891 20 10 EFCDHM Cc1cc(Br)cc(CN2CCn3cnnc3[C@@H]2C)c1[O-] ZINC000276772123 474570833 /nfs/dbraw/zinc/57/08/33/474570833.db2.gz IKLITBIXYVQQOQ-JTQLQIEISA-N -1 3 337.221 2.631 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CCOC)cc1 ZINC000276768858 474571331 /nfs/dbraw/zinc/57/13/31/474571331.db2.gz AYMRGIHXIOZUGZ-UHFFFAOYSA-N -1 3 335.425 2.944 20 10 EFCDHM CCc1ccc([C@H]2CN(C(=O)c3cccc(O)c3[O-])CCO2)cc1 ZINC000276952233 474574838 /nfs/dbraw/zinc/57/48/38/474574838.db2.gz SLJFSMQJQRRHTK-QGZVFWFLSA-N -1 3 327.380 2.874 20 10 EFCDHM CCOC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184669815 474579564 /nfs/dbraw/zinc/57/95/64/474579564.db2.gz UQWBVFWXSWUODN-LLVKDONJSA-N -1 3 327.808 2.829 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC(C)(F)F ZINC000277408365 474584920 /nfs/dbraw/zinc/58/49/20/474584920.db2.gz SXZORCZILUQFEC-UHFFFAOYSA-N -1 3 335.734 2.593 20 10 EFCDHM COc1cc(Cl)cc(CN2CCN(CCOC(C)C)CC2)c1[O-] ZINC000184696778 474587090 /nfs/dbraw/zinc/58/70/90/474587090.db2.gz UEALXIOPXPYIMB-UHFFFAOYSA-N -1 3 342.867 2.597 20 10 EFCDHM CSC[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277531155 474588204 /nfs/dbraw/zinc/58/82/04/474588204.db2.gz XOXCZFMYKKALLO-VIFPVBQESA-N -1 3 328.821 2.561 20 10 EFCDHM COc1cc(Cl)cc(CN2CCN(Cc3cccnc3)CC2)c1[O-] ZINC000184715758 474592810 /nfs/dbraw/zinc/59/28/10/474592810.db2.gz IASAQYSWGZMEOV-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000277823389 474596742 /nfs/dbraw/zinc/59/67/42/474596742.db2.gz RBMVKTQYAJRVTL-BONVTDFDSA-N -1 3 349.324 2.869 20 10 EFCDHM C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(F)cc1[O-] ZINC000291251674 474599567 /nfs/dbraw/zinc/59/95/67/474599567.db2.gz RLVZWYSRYSRVOD-CYBMUJFWSA-N -1 3 343.402 2.636 20 10 EFCDHM C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000291487504 474604976 /nfs/dbraw/zinc/60/49/76/474604976.db2.gz GGJGBTUWSMBJIM-IAQYHMDHSA-N -1 3 345.270 2.994 20 10 EFCDHM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000278248006 474605520 /nfs/dbraw/zinc/60/55/20/474605520.db2.gz WXNCWKVBZLSEKI-SFHVURJKSA-N -1 3 335.400 2.744 20 10 EFCDHM CC(C)(C)c1nc(CN2CCN(Cc3cc(F)ccc3[O-])CC2)no1 ZINC000272312850 474607677 /nfs/dbraw/zinc/60/76/77/474607677.db2.gz RZJZCIFUHXXGSF-UHFFFAOYSA-N -1 3 348.422 2.530 20 10 EFCDHM COc1c([O-])c(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560938 474619106 /nfs/dbraw/zinc/61/91/06/474619106.db2.gz NBCMQXAYGWMUBN-CZUORRHYSA-N -1 3 336.388 2.698 20 10 EFCDHM Cc1ccc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)c([O-])c1O ZINC000272727885 474624527 /nfs/dbraw/zinc/62/45/27/474624527.db2.gz GOGWODFDYNBCFY-INIZCTEOSA-N -1 3 327.380 2.792 20 10 EFCDHM CCCCCC(=O)NC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272885530 474634280 /nfs/dbraw/zinc/63/42/80/474634280.db2.gz YNTDIAACPHKYFZ-UHFFFAOYSA-N -1 3 348.443 2.707 20 10 EFCDHM O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cccc(O)c1[O-] ZINC000291733512 474660860 /nfs/dbraw/zinc/66/08/60/474660860.db2.gz ARUGVECUJZREIG-SFHVURJKSA-N -1 3 339.391 2.922 20 10 EFCDHM COCC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccco1 ZINC000278508593 474669490 /nfs/dbraw/zinc/66/94/90/474669490.db2.gz PJRKSXLHRCGDHO-GFCCVEGCSA-N -1 3 336.344 2.769 20 10 EFCDHM COC(=O)[C@H]1CC12CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000267469669 474671860 /nfs/dbraw/zinc/67/18/60/474671860.db2.gz WZLVLFHFEMNDOV-OAHLLOKOSA-N -1 3 335.375 2.509 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)c([O-])c1O ZINC000267638569 474677845 /nfs/dbraw/zinc/67/78/45/474677845.db2.gz YTVWFMSRQGXNGV-MRXNPFEDSA-N -1 3 345.395 2.657 20 10 EFCDHM CCCOc1ccc(CN[C@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000267907882 474703672 /nfs/dbraw/zinc/70/36/72/474703672.db2.gz BVHOTSMZEZYBRS-INIZCTEOSA-N -1 3 347.436 2.799 20 10 EFCDHM CCCOc1ccc(CN2CCCC[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000278674418 474769575 /nfs/dbraw/zinc/76/95/75/474769575.db2.gz LTZWCTCYSIVLAU-INIZCTEOSA-N -1 3 341.473 2.580 20 10 EFCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278675525 474769922 /nfs/dbraw/zinc/76/99/22/474769922.db2.gz JMTCZLAHIYTGOB-OQPBUACISA-N -1 3 330.215 2.817 20 10 EFCDHM C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273419071 474889315 /nfs/dbraw/zinc/88/93/15/474889315.db2.gz RTDSCCCQYQFIOP-GFCCVEGCSA-N -1 3 343.383 2.853 20 10 EFCDHM COCCOc1ncccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273422033 474890500 /nfs/dbraw/zinc/89/05/00/474890500.db2.gz SJISAXFVKXSMOU-LBPRGKRZSA-N -1 3 347.371 2.571 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCCc3c2cnn3C)c1 ZINC000273424963 474891666 /nfs/dbraw/zinc/89/16/66/474891666.db2.gz TUKMIQAIAXHFOI-ABAIWWIYSA-N -1 3 329.400 2.641 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCCc3c2cnn3C)c1 ZINC000273424966 474891992 /nfs/dbraw/zinc/89/19/92/474891992.db2.gz TUKMIQAIAXHFOI-XHDPSFHLSA-N -1 3 329.400 2.641 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCCc3c2cnn3C)c1 ZINC000273424965 474892657 /nfs/dbraw/zinc/89/26/57/474892657.db2.gz TUKMIQAIAXHFOI-NHYWBVRUSA-N -1 3 329.400 2.641 20 10 EFCDHM C[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1[O-] ZINC000273465739 474913310 /nfs/dbraw/zinc/91/33/10/474913310.db2.gz RCPIQUMVMCNDPV-CXAGYDPISA-N -1 3 343.402 2.768 20 10 EFCDHM C[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1[O-] ZINC000273465747 474913340 /nfs/dbraw/zinc/91/33/40/474913340.db2.gz RCPIQUMVMCNDPV-SUMWQHHRSA-N -1 3 343.402 2.768 20 10 EFCDHM CCOc1ccccc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278952007 474938377 /nfs/dbraw/zinc/93/83/77/474938377.db2.gz ZPJKHSNPCAEKJS-UHFFFAOYSA-N -1 3 332.356 2.998 20 10 EFCDHM C[C@@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1nncn1C ZINC000273593353 474981363 /nfs/dbraw/zinc/98/13/63/474981363.db2.gz PVGDXLQKGBMTEQ-DTWKUNHWSA-N -1 3 325.210 2.695 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000279625284 474984196 /nfs/dbraw/zinc/98/41/96/474984196.db2.gz ABFHENVOVGAUJU-XHDPSFHLSA-N -1 3 342.233 2.535 20 10 EFCDHM Cc1ccc([C@H](NCc2ccccc2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280646688 475042369 /nfs/dbraw/zinc/04/23/69/475042369.db2.gz JDVMTVPQCHJZBW-KBXCAEBGSA-N -1 3 333.453 2.965 20 10 EFCDHM COC(=O)CN(CCc1cscn1)Cc1cc(Cl)ccc1[O-] ZINC000294932795 475092391 /nfs/dbraw/zinc/09/23/91/475092391.db2.gz KSLGTLRNNPAGGK-UHFFFAOYSA-N -1 3 340.832 2.720 20 10 EFCDHM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000295244602 475114948 /nfs/dbraw/zinc/11/49/48/475114948.db2.gz BQIIBHQXSGZYKU-LLVKDONJSA-N -1 3 338.404 2.521 20 10 EFCDHM C[C@@H](NCc1nnc2n1CCOC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000373055393 476373349 /nfs/dbraw/zinc/37/33/49/476373349.db2.gz XWHUBUPKYNDYRD-MRVPVSSYSA-N -1 3 343.214 2.672 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000373209901 476384408 /nfs/dbraw/zinc/38/44/08/476384408.db2.gz MXJDBLZRFHIHQM-AWEZNQCLSA-N -1 3 346.387 2.688 20 10 EFCDHM Cc1cc(C(=O)NC2CCN(Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000373223984 476386657 /nfs/dbraw/zinc/38/66/57/476386657.db2.gz NGXJBJCDFQVONK-UHFFFAOYSA-N -1 3 349.818 2.736 20 10 EFCDHM CN1CCC2(CCN(Cc3c([O-])ccc(Cl)c3F)CC2)C1=O ZINC000369649046 476459209 /nfs/dbraw/zinc/45/92/09/476459209.db2.gz PIMKCPWFASYLMS-UHFFFAOYSA-N -1 3 326.799 2.629 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377708311 476537435 /nfs/dbraw/zinc/53/74/35/476537435.db2.gz XBVIMUQKQBAXKB-ZFWWWQNUSA-N -1 3 342.233 2.535 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN[C@H](c2ccccc2Cl)C1 ZINC000374869087 476564152 /nfs/dbraw/zinc/56/41/52/476564152.db2.gz PNEQHGDSKGNOAO-AWEZNQCLSA-N -1 3 332.787 2.538 20 10 EFCDHM Cn1ccnc1[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000377887178 476630533 /nfs/dbraw/zinc/63/05/33/476630533.db2.gz DDJGVUBZOCMKDJ-SNVBAGLBSA-N -1 3 336.779 2.677 20 10 EFCDHM CC(=O)Nc1cccc2c1CCCN2C(=O)/C=C/c1cncc([O-])c1 ZINC000378539578 476718838 /nfs/dbraw/zinc/71/88/38/476718838.db2.gz OHBVOHQHPNCJNG-BQYQJAHWSA-N -1 3 337.379 2.738 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@]1(CO)COc2ccccc2C1 ZINC000527769280 478511010 /nfs/dbraw/zinc/51/10/10/478511010.db2.gz LBSRMEFIWDOQRG-QGZVFWFLSA-N -1 3 337.778 2.641 20 10 EFCDHM COc1ncc(/C=C/C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cn1 ZINC000492647308 479011874 /nfs/dbraw/zinc/01/18/74/479011874.db2.gz JDGIKILHSZJHDL-NNNHXZLVSA-N -1 3 325.368 2.744 20 10 EFCDHM COc1ncc(/C=C/C(=O)N2CC[C@H](C)c3cccc([O-])c32)cn1 ZINC000492647309 479012388 /nfs/dbraw/zinc/01/23/88/479012388.db2.gz JDGIKILHSZJHDL-SYTKJHMZSA-N -1 3 325.368 2.744 20 10 EFCDHM Cc1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)c([O-])c1O ZINC000179526681 534266563 /nfs/dbraw/zinc/26/65/63/534266563.db2.gz YZVLXTKIFOXTCM-UHFFFAOYSA-N -1 3 346.330 2.854 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)COCC1CC1 ZINC000175844498 528765116 /nfs/dbraw/zinc/76/51/16/528765116.db2.gz TZIFNEUVUMHQDM-UHFFFAOYSA-N -1 3 342.233 2.930 20 10 EFCDHM COCCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000286862605 536620573 /nfs/dbraw/zinc/62/05/73/536620573.db2.gz HFGKKYCCRVYLMF-UHFFFAOYSA-N -1 3 347.367 2.774 20 10 EFCDHM COc1c([O-])c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886617 536861257 /nfs/dbraw/zinc/86/12/57/536861257.db2.gz LBXYCRBHMVMBNT-YOEHRIQHSA-N -1 3 348.399 2.843 20 10 EFCDHM O=S(=O)([N-]CCCSc1nccs1)c1cncc(Cl)c1 ZINC000754804598 575493768 /nfs/dbraw/zinc/49/37/68/575493768.db2.gz HROKVPGANGMRJB-UHFFFAOYSA-N -1 3 349.890 2.652 20 10 EFCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756355479 575722258 /nfs/dbraw/zinc/72/22/58/575722258.db2.gz ORTPACCNMMFAJE-JGVFFNPUSA-N -1 3 349.656 2.983 20 10 EFCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756355477 575722299 /nfs/dbraw/zinc/72/22/99/575722299.db2.gz ORTPACCNMMFAJE-HTQZYQBOSA-N -1 3 349.656 2.983 20 10 EFCDHM CCOc1ncccc1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756393957 575729836 /nfs/dbraw/zinc/72/98/36/575729836.db2.gz UNCANPQGMGPTDY-LBPRGKRZSA-N -1 3 330.384 2.823 20 10 EFCDHM CCN(CC)C(=O)CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756459877 575742671 /nfs/dbraw/zinc/74/26/71/575742671.db2.gz YJNAHQZTIOVKTO-SECBINFHSA-N -1 3 347.228 2.813 20 10 EFCDHM C[C@H]1C[C@H](NCc2nnnn2-c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756491156 575747953 /nfs/dbraw/zinc/74/79/53/575747953.db2.gz UBYRUPSIGMXNMS-FZMZJTMJSA-N -1 3 339.374 2.845 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CO)c2ccccc2C)c1 ZINC000756635688 575771124 /nfs/dbraw/zinc/77/11/24/575771124.db2.gz GZQWPGKKBJNNIQ-GUYCJALGSA-N -1 3 329.396 2.871 20 10 EFCDHM C[C@H](N[C@@H]1CCCN(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756636595 575771427 /nfs/dbraw/zinc/77/14/27/575771427.db2.gz FHMBVGTWUQXMII-QPUJVOFHSA-N -1 3 345.212 2.565 20 10 EFCDHM C[C@H](NCc1cccc2c1OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756703093 575778641 /nfs/dbraw/zinc/77/86/41/575778641.db2.gz FHYFDKMJMRKLCB-NSHDSACASA-N -1 3 330.340 2.922 20 10 EFCDHM CC(C)[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)N1CCCC1 ZINC000756704192 575779177 /nfs/dbraw/zinc/77/91/77/575779177.db2.gz GIPDNKGSHYGHOA-WBMJQRKESA-N -1 3 335.404 2.598 20 10 EFCDHM C[C@@H](NCc1ccc([S@](C)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756737844 575782484 /nfs/dbraw/zinc/78/24/84/575782484.db2.gz CJWNILYGVLVYMP-BGJPBQGDSA-N -1 3 334.397 2.889 20 10 EFCDHM C[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(F)cc1[O-] ZINC000756743747 575783500 /nfs/dbraw/zinc/78/35/00/575783500.db2.gz VOYJKXMQJUFDJB-NSHDSACASA-N -1 3 335.400 2.712 20 10 EFCDHM C[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756769345 575785445 /nfs/dbraw/zinc/78/54/45/575785445.db2.gz KMOLZTFSJXIBLW-JGVFFNPUSA-N -1 3 326.245 2.783 20 10 EFCDHM C[C@H](NCC1(C)OCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756779875 575786181 /nfs/dbraw/zinc/78/61/81/575786181.db2.gz NDFRXAGEKSMEEA-QMMMGPOBSA-N -1 3 334.185 2.707 20 10 EFCDHM C[C@@H](NCC(=O)NCCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756817410 575789339 /nfs/dbraw/zinc/78/93/39/575789339.db2.gz JNRHONVDTYJGEW-GFCCVEGCSA-N -1 3 334.366 2.680 20 10 EFCDHM COc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1-n1cnnn1 ZINC000757614590 575845359 /nfs/dbraw/zinc/84/53/59/575845359.db2.gz VMYHZVFZOMDQRX-SNVBAGLBSA-N -1 3 329.335 2.689 20 10 EFCDHM COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000757642368 575846994 /nfs/dbraw/zinc/84/69/94/575846994.db2.gz BJWWSSNEZUOZNB-CQSZACIVSA-N -1 3 335.400 2.648 20 10 EFCDHM O=C1NCCc2ccc(CNCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000757943717 575856410 /nfs/dbraw/zinc/85/64/10/575856410.db2.gz RJOSGNRQGSIQCG-UHFFFAOYSA-N -1 3 334.778 2.760 20 10 EFCDHM CCN1CCN(Cc2ccc(OCc3ccccc3)cc2[O-])CC1=O ZINC000758016575 575858070 /nfs/dbraw/zinc/85/80/70/575858070.db2.gz YARTYQVHJNZEBL-UHFFFAOYSA-N -1 3 340.423 2.635 20 10 EFCDHM COc1ccc(S(=O)(=O)Nc2ccc([O-])cc2F)c(C)c1C ZINC000758170309 575861682 /nfs/dbraw/zinc/86/16/82/575861682.db2.gz LWGYIYHJWFKDFW-UHFFFAOYSA-N -1 3 325.361 2.958 20 10 EFCDHM Cc1noc(C[C@@H](NC(=O)c2cc([O-])cs2)c2ccccc2)n1 ZINC000760922612 576088493 /nfs/dbraw/zinc/08/84/93/576088493.db2.gz RTUNZJAVOPKHGS-CYBMUJFWSA-N -1 3 329.381 2.859 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1Cc1ccc(F)cn1 ZINC000761333338 576147751 /nfs/dbraw/zinc/14/77/51/576147751.db2.gz VGBZIIHXNJQSRA-UHFFFAOYSA-N -1 3 349.749 2.544 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CCCS1 ZINC000761348958 576149739 /nfs/dbraw/zinc/14/97/39/576149739.db2.gz CHDWTDNHSMOCKV-LBPRGKRZSA-N -1 3 340.832 2.705 20 10 EFCDHM CSCC[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761355423 576150507 /nfs/dbraw/zinc/15/05/07/576150507.db2.gz TXYOOAPGRPLFCE-SNVBAGLBSA-N -1 3 342.848 2.951 20 10 EFCDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)cc1F ZINC000762618905 576318727 /nfs/dbraw/zinc/31/87/27/576318727.db2.gz JJWOFDVTBYIVKP-UHFFFAOYSA-N -1 3 340.395 2.818 20 10 EFCDHM O=C1CN(Cc2c([O-])ccc3ccncc32)CN1Cc1ccccc1 ZINC000763313382 576372094 /nfs/dbraw/zinc/37/20/94/576372094.db2.gz SQWHKYMKKAPDSO-UHFFFAOYSA-N -1 3 333.391 2.742 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](O)C(C)(C)C ZINC000765162373 577014430 /nfs/dbraw/zinc/01/44/30/577014430.db2.gz CGBKDKJPHKUYHM-CYBMUJFWSA-N -1 3 344.249 2.910 20 10 EFCDHM CCOc1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c([O-])c1 ZINC000765655774 577063196 /nfs/dbraw/zinc/06/31/96/577063196.db2.gz GQBGDAQDAKNXML-QGZVFWFLSA-N -1 3 349.452 2.666 20 10 EFCDHM COc1cc(Br)cc(CNCc2cc(C)on2)c1[O-] ZINC000725848475 577248507 /nfs/dbraw/zinc/24/85/07/577248507.db2.gz WGMJTEMPKFSPOQ-UHFFFAOYSA-N -1 3 327.178 2.750 20 10 EFCDHM CCOc1ccc(CN2CCN(c3ccccc3O)CC2)c([O-])c1 ZINC000768141174 577257260 /nfs/dbraw/zinc/25/72/60/577257260.db2.gz QKEIZDARQOCCKQ-UHFFFAOYSA-N -1 3 328.412 2.819 20 10 EFCDHM CCN(CC(=O)NCc1ccc(F)cc1)Cc1c([O-])cccc1OC ZINC000768164043 577258772 /nfs/dbraw/zinc/25/87/72/577258772.db2.gz WQJQNCTZFORGIB-UHFFFAOYSA-N -1 3 346.402 2.678 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000768253020 577263192 /nfs/dbraw/zinc/26/31/92/577263192.db2.gz VIHPNMYGMKESFK-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM CCN(CC)C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768293662 577264678 /nfs/dbraw/zinc/26/46/78/577264678.db2.gz BWOINURWWIIJAJ-UHFFFAOYSA-N -1 3 325.840 2.625 20 10 EFCDHM COc1cccc([O-])c1CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000768438969 577273558 /nfs/dbraw/zinc/27/35/58/577273558.db2.gz CMKCGGKKYFVXLL-UHFFFAOYSA-N -1 3 326.396 2.664 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@H](c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768441780 577273811 /nfs/dbraw/zinc/27/38/11/577273811.db2.gz MVIZDFVADKCLLD-HKUYNNGSSA-N -1 3 345.370 2.531 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@H](c3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000768452082 577274963 /nfs/dbraw/zinc/27/49/63/577274963.db2.gz OHEBIKREPHSTDS-HKUYNNGSSA-N -1 3 345.370 2.531 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCc3c(F)cc(F)cc3C1)[C@H](O)CO2 ZINC000768461326 577275732 /nfs/dbraw/zinc/27/57/32/577275732.db2.gz AQKTVJVAFRLRBO-QGZVFWFLSA-N -1 3 333.334 2.655 20 10 EFCDHM CCOc1ccc(CN(CC(=O)OC)Cc2ccccc2)c([O-])c1 ZINC000768682618 577294944 /nfs/dbraw/zinc/29/49/44/577294944.db2.gz DHSUFASDTGNIGM-UHFFFAOYSA-N -1 3 329.396 2.966 20 10 EFCDHM CN(Cc1ccccc1[O-])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000768872257 577312224 /nfs/dbraw/zinc/31/22/24/577312224.db2.gz GKRKXFKZCCZPTR-UHFFFAOYSA-N -1 3 330.340 2.704 20 10 EFCDHM CN(Cc1cccc(C(N)=O)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768928108 577317390 /nfs/dbraw/zinc/31/73/90/577317390.db2.gz ZYLUAWJAAIIUQA-UHFFFAOYSA-N -1 3 349.774 2.685 20 10 EFCDHM CCOc1ccc(CN2CCN(Cc3cccc(O)c3)CC2)c([O-])c1 ZINC000769235726 577346181 /nfs/dbraw/zinc/34/61/81/577346181.db2.gz BSJUSDYNRUIEMT-UHFFFAOYSA-N -1 3 342.439 2.814 20 10 EFCDHM COc1cccc([O-])c1CN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000769319811 577351828 /nfs/dbraw/zinc/35/18/28/577351828.db2.gz ZOTGDGNZHOWYOV-UHFFFAOYSA-N -1 3 336.338 2.750 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCN(C3CCC3)CC2)c1[O-] ZINC000769412618 577360635 /nfs/dbraw/zinc/36/06/35/577360635.db2.gz OELXFQBRFDLPCJ-UHFFFAOYSA-N -1 3 325.796 2.624 20 10 EFCDHM CN(Cc1c([O-])cccc1Cl)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000769422985 577361412 /nfs/dbraw/zinc/36/14/12/577361412.db2.gz LANFYIPOLDGDKF-LLVKDONJSA-N -1 3 336.741 2.641 20 10 EFCDHM CCN1C[C@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769464807 577364056 /nfs/dbraw/zinc/36/40/56/577364056.db2.gz APMJOHCHGOCEGV-MNOVXSKESA-N -1 3 327.812 2.868 20 10 EFCDHM CCN1C[C@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769464809 577364115 /nfs/dbraw/zinc/36/41/15/577364115.db2.gz APMJOHCHGOCEGV-QWRGUYRKSA-N -1 3 327.812 2.868 20 10 EFCDHM CC(C)(C)OC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000769467368 577364597 /nfs/dbraw/zinc/36/45/97/577364597.db2.gz VPYPRSPZISYDDK-CQSZACIVSA-N -1 3 327.808 2.588 20 10 EFCDHM COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1cc(C)cc(C)c1 ZINC000769631316 577376131 /nfs/dbraw/zinc/37/61/31/577376131.db2.gz WQNRRYUVXHNUGB-OAHLLOKOSA-N -1 3 343.379 2.667 20 10 EFCDHM COc1ccc(N2CCC(NC(=O)c3ccccc3[O-])CC2)cc1 ZINC000726626008 577376758 /nfs/dbraw/zinc/37/67/58/577376758.db2.gz SSCMLDOONRQKPJ-UHFFFAOYSA-N -1 3 326.396 2.800 20 10 EFCDHM CCC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1CCOC ZINC000770283699 577409896 /nfs/dbraw/zinc/40/98/96/577409896.db2.gz KNONUVNZLOCXJS-MRXNPFEDSA-N -1 3 326.868 2.978 20 10 EFCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCn2ncnc2C1 ZINC000770664537 581123012 /nfs/dbraw/zinc/12/30/12/581123012.db2.gz RZESWICPIMCVGD-UHFFFAOYSA-N -1 3 336.395 2.579 20 10 EFCDHM Cn1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000771055772 581169534 /nfs/dbraw/zinc/16/95/34/581169534.db2.gz FAOVGJJCRWPAIB-INIZCTEOSA-N -1 3 347.846 2.779 20 10 EFCDHM CCN1CCN(c2cccc(NC(=O)c3c([O-])cccc3F)c2)CC1 ZINC000774083159 581482303 /nfs/dbraw/zinc/48/23/03/581482303.db2.gz ATKYVVFCERECPE-UHFFFAOYSA-N -1 3 343.402 2.926 20 10 EFCDHM C[C@@H](NCc1nnnn1C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774258615 581488266 /nfs/dbraw/zinc/48/82/66/581488266.db2.gz ODPQHPYMTGXVGX-SSDOTTSWSA-N -1 3 328.203 2.871 20 10 EFCDHM COc1c([O-])c(CNc2ccc(-n3nccn3)cc2)ccc1[N+](=O)[O-] ZINC000774927016 581504361 /nfs/dbraw/zinc/50/43/61/581504361.db2.gz BDJSPGKRNSEOCR-UHFFFAOYSA-N -1 3 341.327 2.502 20 10 EFCDHM CCN1C[C@H](C)N(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000833659151 605119558 /nfs/dbraw/zinc/11/95/58/605119558.db2.gz YITUFQWNKMEGJI-BZGOVLQXSA-N -1 3 333.388 2.612 20 10 EFCDHM COc1cc(O)c(CNc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000826181068 609485912 /nfs/dbraw/zinc/48/59/12/609485912.db2.gz JQYCEFNHCSRBNV-UHFFFAOYSA-N -1 3 341.371 2.510 20 10 EFCDHM COc1cc(O)c(CNc2cccc(-c3nn[n-]n3)c2C)cc1OC ZINC000826181068 609485914 /nfs/dbraw/zinc/48/59/14/609485914.db2.gz JQYCEFNHCSRBNV-UHFFFAOYSA-N -1 3 341.371 2.510 20 10 EFCDHM COC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC)c1 ZINC000850361898 1250451045 /nfs/dbraw/zinc/45/10/45/1250451045.db2.gz GCVZIQCKHCKFCQ-MRXNPFEDSA-N -1 3 332.356 2.786 20 10 EFCDHM CCn1cc(CN[C@H](C)c2cc(Br)ccc2[O-])nn1 ZINC000850522182 1250520743 /nfs/dbraw/zinc/52/07/43/1250520743.db2.gz HAPHOTFOIYGXER-SECBINFHSA-N -1 3 325.210 2.617 20 10 EFCDHM C[C@@]1(C(N)=O)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708140911 1259678617 /nfs/dbraw/zinc/67/86/17/1259678617.db2.gz PFEORYQRPCAJRM-CYBMUJFWSA-N -1 3 347.640 2.505 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000824920300 1278353484 /nfs/dbraw/zinc/35/34/84/1278353484.db2.gz JRBIXQFLAIHCPW-GJZGRUSLSA-N -1 3 342.233 2.535 20 10 EFCDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824939184 1278361440 /nfs/dbraw/zinc/36/14/40/1278361440.db2.gz PSGVTHDCAFRQFS-CQSZACIVSA-N -1 3 329.824 2.752 20 10 EFCDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000740705006 1269031406 /nfs/dbraw/zinc/03/14/06/1269031406.db2.gz DKSAGIAKXMBAFS-UHFFFAOYSA-N -1 3 337.397 2.527 20 10 EFCDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1C ZINC000740706307 1269032282 /nfs/dbraw/zinc/03/22/82/1269032282.db2.gz VTXSJBLXEFGYQW-UHFFFAOYSA-N -1 3 335.381 2.596 20 10 EFCDHM C[C@@H](NCc1ccc(Br)cc1[O-])c1nnc2n1CCC2 ZINC000701043319 1269841638 /nfs/dbraw/zinc/84/16/38/1269841638.db2.gz LBORYVFOCLTUIV-SECBINFHSA-N -1 3 337.221 2.543 20 10 EFCDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000825440550 1278549904 /nfs/dbraw/zinc/54/99/04/1278549904.db2.gz JJOCAAPOHCBYFH-GXTWGEPZSA-N -1 3 327.808 2.506 20 10 EFCDHM [O-]c1cccc(F)c1CN1CCN(CCOc2ccccc2)CC1 ZINC001137837347 1274041183 /nfs/dbraw/zinc/04/11/83/1274041183.db2.gz CALCDMHLJWRUME-UHFFFAOYSA-N -1 3 330.403 2.728 20 10 EFCDHM CC1(C)CCN(Cc2c([O-])cccc2Br)CC[S@@]1=O ZINC000707165833 1275373735 /nfs/dbraw/zinc/37/37/35/1275373735.db2.gz LHBCQDRODQBEPQ-IBGZPJMESA-N -1 3 346.290 2.888 20 10 EFCDHM CS(=O)(=O)c1ccc(CNCc2cccc(Cl)c2[O-])s1 ZINC000787423651 1275770502 /nfs/dbraw/zinc/77/05/02/1275770502.db2.gz AXHWSOXLJRDRSN-UHFFFAOYSA-N -1 3 331.846 2.800 20 10 EFCDHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000788746436 1276309500 /nfs/dbraw/zinc/30/95/00/1276309500.db2.gz GCFNDRXTABFVEG-UHFFFAOYSA-N -1 3 349.408 2.987 20 10 EFCDHM O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc(O)c1[O-] ZINC000187079276 1276752388 /nfs/dbraw/zinc/75/23/88/1276752388.db2.gz SWUIRIGURDNLRE-UHFFFAOYSA-N -1 3 345.355 2.932 20 10 EFCDHM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cccc(O)c1[O-] ZINC000187099540 1276981637 /nfs/dbraw/zinc/98/16/37/1276981637.db2.gz BNZXCSQJUPLBQJ-ZDUSSCGKSA-N -1 3 330.359 2.636 20 10 EFCDHM COc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1OC(F)F ZINC000790484317 1277596681 /nfs/dbraw/zinc/59/66/81/1277596681.db2.gz XDWJTOFNBUPVNS-UHFFFAOYSA-N -1 3 339.294 2.638 20 10 EFCDHM COc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1OC(C)C ZINC000790531787 1277635654 /nfs/dbraw/zinc/63/56/54/1277635654.db2.gz XDKJHVDZMZLJAG-UHFFFAOYSA-N -1 3 331.368 2.824 20 10 EFCDHM COC(=O)CN(CCC1(OC)CCC1)Cc1cc(Cl)ccc1[O-] ZINC000815070650 1287295583 /nfs/dbraw/zinc/29/55/83/1287295583.db2.gz WZEDVRRGAJSVBP-UHFFFAOYSA-N -1 3 341.835 2.980 20 10 EFCDHM O=C(NCc1c(F)cccc1OC(F)F)c1cccc(O)c1[O-] ZINC000790823393 1277798292 /nfs/dbraw/zinc/79/82/92/1277798292.db2.gz UUFTZDREJSVXEH-UHFFFAOYSA-N -1 3 327.258 2.768 20 10 EFCDHM O=C(NCCc1ccccc1OC(F)(F)F)c1cccc(O)c1[O-] ZINC000790876895 1277821613 /nfs/dbraw/zinc/82/16/13/1277821613.db2.gz LACKOHNHDJQLPD-UHFFFAOYSA-N -1 3 341.285 2.969 20 10 EFCDHM O=C(NCCSCc1ccnc(Cl)c1)c1cccc(O)c1[O-] ZINC000790912075 1277865592 /nfs/dbraw/zinc/86/55/92/1277865592.db2.gz NCPPQKGEJWWDRO-UHFFFAOYSA-N -1 3 338.816 2.809 20 10 EFCDHM COc1ccc(Cn2ccc(NC(=O)c3cccc(O)c3[O-])n2)cc1 ZINC000790943374 1277868719 /nfs/dbraw/zinc/86/87/19/1277868719.db2.gz KKRULXGXLAVFJO-UHFFFAOYSA-N -1 3 339.351 2.604 20 10 EFCDHM O=S(=O)(CCNCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790956515 1277878107 /nfs/dbraw/zinc/87/81/07/1277878107.db2.gz RVZOBKMIOPVUQO-UHFFFAOYSA-N -1 3 343.807 2.748 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC2(CC1)OCCO2 ZINC001144293631 1279378349 /nfs/dbraw/zinc/37/83/49/1279378349.db2.gz QWAPNDISARKGDL-UHFFFAOYSA-N -1 3 346.196 2.633 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)c(F)cc2[O-])CC[C@@]1(C)O ZINC001144298400 1279385592 /nfs/dbraw/zinc/38/55/92/1279385592.db2.gz CYWITOSVNZZAST-LKFCYVNXSA-N -1 3 332.213 2.887 20 10 EFCDHM COC(=O)[C@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298806 1279386100 /nfs/dbraw/zinc/38/61/00/1279386100.db2.gz JNNPMWQNFZNWIK-VIFPVBQESA-N -1 3 346.196 2.679 20 10 EFCDHM CN(Cc1cnn(C)c1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298467 1279386685 /nfs/dbraw/zinc/38/66/85/1279386685.db2.gz DNVYWUOCEAMFHZ-UHFFFAOYSA-N -1 3 328.185 2.659 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@H](CO)CC1 ZINC001144299335 1279387224 /nfs/dbraw/zinc/38/72/24/1279387224.db2.gz WPSSDOFZVBDSLM-JTQLQIEISA-N -1 3 332.213 2.888 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CCN(C2CC2)CC1 ZINC001144299007 1279387480 /nfs/dbraw/zinc/38/74/80/1279387480.db2.gz OLMZTNDHHLQBEI-UHFFFAOYSA-N -1 3 329.213 2.574 20 10 EFCDHM CN(Cc1cnccn1)Cc1cc(Br)c(F)cc1[O-] ZINC001144306659 1279403455 /nfs/dbraw/zinc/40/34/55/1279403455.db2.gz LDUJGEDVLHYVMV-UHFFFAOYSA-N -1 3 326.169 2.716 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@H]2OCC[C@H]2C1 ZINC001144306579 1279404024 /nfs/dbraw/zinc/40/40/24/1279404024.db2.gz HTJDVYXZPUKUCJ-LKFCYVNXSA-N -1 3 330.197 2.905 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000793184264 1279428332 /nfs/dbraw/zinc/42/83/32/1279428332.db2.gz ZHNFUPMBQXPFGH-OAHLLOKOSA-N -1 3 339.798 2.853 20 10 EFCDHM CC(C)n1ncc(NCc2cc(Br)ccc2[O-])cc1=O ZINC001171176159 1279588310 /nfs/dbraw/zinc/58/83/10/1279588310.db2.gz KHUXZIHXUSDWTH-UHFFFAOYSA-N -1 3 338.205 2.904 20 10 EFCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000846106695 1280037821 /nfs/dbraw/zinc/03/78/21/1280037821.db2.gz DNSSSKUOXDEFQE-DIOULYMOSA-N -1 3 341.835 2.882 20 10 EFCDHM COc1ccc(N(C)CCN(C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000846445631 1280168427 /nfs/dbraw/zinc/16/84/27/1280168427.db2.gz LIFUVLMIMRBHDD-UHFFFAOYSA-N -1 3 346.402 2.677 20 10 EFCDHM COc1ccccc1-n1nccc1NC(=O)c1cccc(O)c1[O-] ZINC001148212480 1281453769 /nfs/dbraw/zinc/45/37/69/1281453769.db2.gz ZHLWSPHYDDUTGX-UHFFFAOYSA-N -1 3 325.324 2.544 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001148214453 1281454007 /nfs/dbraw/zinc/45/40/07/1281454007.db2.gz SMFGJYQYHPOMMQ-KMFMINBZSA-N -1 3 331.412 2.765 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2[nH]nc3ccccc32)CC1 ZINC001148218580 1281457231 /nfs/dbraw/zinc/45/72/31/1281457231.db2.gz GIIUKMYXDUGCCJ-UHFFFAOYSA-N -1 3 337.379 2.994 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCn2cc(-c3ccccc3)nc2C1 ZINC001148219373 1281457601 /nfs/dbraw/zinc/45/76/01/1281457601.db2.gz ZRSQNVBTVRPOOV-UHFFFAOYSA-N -1 3 335.363 2.617 20 10 EFCDHM CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC001148224822 1281460341 /nfs/dbraw/zinc/46/03/41/1281460341.db2.gz WAKSGHSOTJDLRG-LBPRGKRZSA-N -1 3 337.416 2.974 20 10 EFCDHM O=C(NCc1cc(-c2ccccc2F)no1)c1cccc(O)c1[O-] ZINC001148225656 1281461436 /nfs/dbraw/zinc/46/14/36/1281461436.db2.gz UGGVENXJZFJTFS-UHFFFAOYSA-N -1 3 328.299 2.822 20 10 EFCDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(-c2ccccc2F)n1 ZINC001148580138 1281659531 /nfs/dbraw/zinc/65/95/31/1281659531.db2.gz FNTMUYQBGCBKSF-UHFFFAOYSA-N -1 3 343.314 2.689 20 10 EFCDHM O=C(NCc1coc(-c2ccc(F)cc2)n1)c1cc(O)c([O-])c(O)c1 ZINC001148590392 1281665360 /nfs/dbraw/zinc/66/53/60/1281665360.db2.gz JGWGHWDBPGTAAA-UHFFFAOYSA-N -1 3 344.298 2.528 20 10 EFCDHM Cc1cc(Br)c([O-])c(CN(C)C[C@H](O)C(F)(F)F)c1 ZINC000809751879 1282455520 /nfs/dbraw/zinc/45/55/20/1282455520.db2.gz WPEBNHNBRKKEDO-JTQLQIEISA-N -1 3 342.155 2.818 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3C[C@@H](C)S(=O)(=O)[C@H](C)C3)c2c1 ZINC000811796727 1284622223 /nfs/dbraw/zinc/62/22/23/1284622223.db2.gz QLGQHELAYQZLFO-CHWSQXEVSA-N -1 3 349.452 2.561 20 10 EFCDHM CN(Cc1cc(Br)ccc1[O-])[C@H]1CC(C)(C)OC1=O ZINC000814179913 1286362125 /nfs/dbraw/zinc/36/21/25/1286362125.db2.gz JGHHVUCZZDLHEA-NSHDSACASA-N -1 3 328.206 2.681 20 10 EFCDHM CN1CCCc2cc(CNC(=O)Cc3ccc([O-])c(F)c3)ccc21 ZINC000822867812 1289143840 /nfs/dbraw/zinc/14/38/40/1289143840.db2.gz MDPILJPKCWOLFD-UHFFFAOYSA-N -1 3 328.387 2.773 20 10 EFCDHM CCCN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000816481778 1288153487 /nfs/dbraw/zinc/15/34/87/1288153487.db2.gz IPGMDAMDVIVBHL-NSHDSACASA-N -1 3 335.828 2.584 20 10 EFCDHM Cn1cccc1CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177322103 1288389591 /nfs/dbraw/zinc/38/95/91/1288389591.db2.gz CVIHEOFNESZUCS-UHFFFAOYSA-N -1 3 329.787 2.791 20 10 EFCDHM C[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])n1ccnc1 ZINC001177927063 1288603148 /nfs/dbraw/zinc/60/31/48/1288603148.db2.gz NWGCWWFOZJQQEU-SNVBAGLBSA-N -1 3 330.775 2.668 20 10 EFCDHM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC000817624764 1288672472 /nfs/dbraw/zinc/67/24/72/1288672472.db2.gz DOIBZBZCHBOQGQ-VXGBXAGGSA-N -1 3 335.400 2.680 20 10 EFCDHM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000817642880 1288697297 /nfs/dbraw/zinc/69/72/97/1288697297.db2.gz DVDVICLQPLCZEW-NEPJUHHUSA-N -1 3 335.400 2.538 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCN(c2ccccn2)CC1 ZINC000824490079 1289668795 /nfs/dbraw/zinc/66/87/95/1289668795.db2.gz CVCNXIRBGGCGPF-UHFFFAOYSA-N -1 3 348.244 2.872 20 10 EFCDHM CCOC(=O)CN(Cc1ccc(Br)cc1[O-])C(C)C ZINC000824602473 1289720208 /nfs/dbraw/zinc/72/02/08/1289720208.db2.gz ZDCQPADEBVHHOW-UHFFFAOYSA-N -1 3 330.222 2.928 20 10 EFCDHM Cc1cc([O-])c(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000824565980 1289701524 /nfs/dbraw/zinc/70/15/24/1289701524.db2.gz AGFNKQBTPZNOKD-CYBMUJFWSA-N -1 3 329.849 2.506 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3cccn3C)CC2)cc1Cl ZINC000824541628 1289710050 /nfs/dbraw/zinc/71/00/50/1289710050.db2.gz FMFKVGGBTZPPSF-UHFFFAOYSA-N -1 3 347.846 2.651 20 10 EFCDHM COC(=O)[C@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000824542533 1289710731 /nfs/dbraw/zinc/71/07/31/1289710731.db2.gz WIDWMYGDHNQHNO-GFCCVEGCSA-N -1 3 328.206 2.682 20 10 EFCDHM C[C@H]1OCC[C@@]12CN(Cc1ccc(Br)cc1[O-])CCO2 ZINC000825738650 1290263386 /nfs/dbraw/zinc/26/33/86/1290263386.db2.gz RDEFZAXHVNPFPN-IAQYHMDHSA-N -1 3 342.233 2.535 20 10 EFCDHM CC[C@@H]1COCCN1Cc1ccc(I)cc1[O-] ZINC001232978249 1312823937 /nfs/dbraw/zinc/82/39/37/1312823937.db2.gz DBAFHAOGTAWYMG-GFCCVEGCSA-N -1 3 347.196 2.608 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CCSCC1 ZINC001232975860 1312823963 /nfs/dbraw/zinc/82/39/63/1312823963.db2.gz LHPSJUFSOALMIG-UHFFFAOYSA-N -1 3 335.210 2.546 20 10 EFCDHM CN(Cc1ccno1)Cc1ccc(I)cc1[O-] ZINC001232977368 1312824155 /nfs/dbraw/zinc/82/41/55/1312824155.db2.gz BBYQVRFTEFWMTO-UHFFFAOYSA-N -1 3 344.152 2.617 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001232977693 1312824415 /nfs/dbraw/zinc/82/44/15/1312824415.db2.gz JDBAMWIXDMWKIL-JOYOIKCWSA-N -1 3 329.181 2.981 20 10 EFCDHM CCCOC1CN(Cc2ccc(I)cc2[O-])C1 ZINC001232979456 1312824468 /nfs/dbraw/zinc/82/44/68/1312824468.db2.gz YPPNZCSZVHAYGO-UHFFFAOYSA-N -1 3 347.196 2.608 20 10 EFCDHM CCC[N@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccccc1[O-] ZINC000093177551 1291029956 /nfs/dbraw/zinc/02/99/56/1291029956.db2.gz XUODVQOKKRGZHJ-UHFFFAOYSA-N -1 3 328.412 2.852 20 10 EFCDHM CCC[N@@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccccc1[O-] ZINC000093177551 1291029964 /nfs/dbraw/zinc/02/99/64/1291029964.db2.gz XUODVQOKKRGZHJ-UHFFFAOYSA-N -1 3 328.412 2.852 20 10 EFCDHM COC(=O)[C@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000093440883 1291140036 /nfs/dbraw/zinc/14/00/36/1291140036.db2.gz WFNKPYBWOJLZCP-GFCCVEGCSA-N -1 3 328.206 2.682 20 10 EFCDHM CC(C)n1cnnc1CN(C)Cc1ccc(Br)cc1[O-] ZINC000825991991 1291324934 /nfs/dbraw/zinc/32/49/34/1291324934.db2.gz QGYAWRUSMFENGB-UHFFFAOYSA-N -1 3 339.237 2.959 20 10 EFCDHM [O-]c1c(CN2CCCN(c3ccc(F)cn3)CC2)ccc(F)c1F ZINC001233073937 1312848391 /nfs/dbraw/zinc/84/83/91/1312848391.db2.gz GWLHWXVPGAFUGJ-UHFFFAOYSA-N -1 3 337.345 2.917 20 10 EFCDHM CC(C)Oc1ncnc2c1CCN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233074082 1312848455 /nfs/dbraw/zinc/84/84/55/1312848455.db2.gz GVNCHCFPKVKRFK-UHFFFAOYSA-N -1 3 349.381 2.848 20 10 EFCDHM CC(C)CC(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077311 1312850201 /nfs/dbraw/zinc/85/02/01/1312850201.db2.gz IHQIJOPAVBQUCG-UHFFFAOYSA-N -1 3 326.387 2.797 20 10 EFCDHM O=C1OC2(CCN(Cc3ccc(F)c(F)c3[O-])CC2)c2cnccc21 ZINC001233079078 1312850594 /nfs/dbraw/zinc/85/05/94/1312850594.db2.gz UIBBCMBQULOEPE-UHFFFAOYSA-N -1 3 346.333 2.727 20 10 EFCDHM CONC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000877786523 1291381037 /nfs/dbraw/zinc/38/10/37/1291381037.db2.gz MIFVZSZSTSVXOD-UHFFFAOYSA-N -1 3 333.215 2.589 20 10 EFCDHM COc1cc([O-])c(CN2CCOC(C)(C)C2)cc1Br ZINC001233134858 1312863038 /nfs/dbraw/zinc/86/30/38/1312863038.db2.gz GHBWFKLFSXNTHS-UHFFFAOYSA-N -1 3 330.222 2.774 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](C)C2)cc1Br ZINC001233135191 1312863154 /nfs/dbraw/zinc/86/31/54/1312863154.db2.gz OEOMLDUMXWEKIF-VIFPVBQESA-N -1 3 328.206 2.574 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@H]3OCC[C@H]32)cc1Br ZINC001233137355 1312864141 /nfs/dbraw/zinc/86/41/41/1312864141.db2.gz JSDAAGJQZAVIGY-DGCLKSJQSA-N -1 3 328.206 2.527 20 10 EFCDHM COc1cc([O-])c(CN2CC3(C2)CCCCO3)cc1Br ZINC001233136690 1312864175 /nfs/dbraw/zinc/86/41/75/1312864175.db2.gz ATEWNLYYEZXZJG-UHFFFAOYSA-N -1 3 342.233 2.918 20 10 EFCDHM COc1cc([O-])c(CN2CCOCC2(C)C)cc1Br ZINC001233140262 1312864616 /nfs/dbraw/zinc/86/46/16/1312864616.db2.gz BKRUKTVSGMFSPQ-UHFFFAOYSA-N -1 3 330.222 2.774 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)C(C)(C)C2)cc1Br ZINC001233140359 1312865207 /nfs/dbraw/zinc/86/52/07/1312865207.db2.gz GBKVCCCQCJJUNJ-UHFFFAOYSA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(C(=O)NCc2c(C)cc(C)cc2O)c(OC)c1 ZINC001190144643 1292004845 /nfs/dbraw/zinc/00/48/45/1292004845.db2.gz RWKMQHINWRILSI-UHFFFAOYSA-N -1 3 331.368 2.662 20 10 EFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC3(CC3)C2)c1 ZINC001233306635 1312899187 /nfs/dbraw/zinc/89/91/87/1312899187.db2.gz YGABRCDAXPKJME-UHFFFAOYSA-N -1 3 340.217 2.927 20 10 EFCDHM CN(CC1CN(Cc2c([O-])ccc(F)c2F)C1)C(=O)OC(C)(C)C ZINC001233332292 1312905063 /nfs/dbraw/zinc/90/50/63/1312905063.db2.gz GFZAZGKHTZGQLV-UHFFFAOYSA-N -1 3 342.386 2.969 20 10 EFCDHM CC(C)CC(=O)NC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334287 1312905784 /nfs/dbraw/zinc/90/57/84/1312905784.db2.gz ANQMPVGCHCKPMZ-UHFFFAOYSA-N -1 3 326.387 2.797 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001233334810 1312906006 /nfs/dbraw/zinc/90/60/06/1312906006.db2.gz URCBNYWBMOVXIH-SCLBCKFNSA-N -1 3 339.382 2.830 20 10 EFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233335610 1312906511 /nfs/dbraw/zinc/90/65/11/1312906511.db2.gz DCGIRCKLNXHKNN-GWCFXTLKSA-N -1 3 340.370 2.722 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001233334809 1312906886 /nfs/dbraw/zinc/90/68/86/1312906886.db2.gz URCBNYWBMOVXIH-FZKQIMNGSA-N -1 3 339.382 2.830 20 10 EFCDHM Cn1ncc2c1CCCN(Cc1ccc(Br)cc1[O-])C2 ZINC000826120685 1292230733 /nfs/dbraw/zinc/23/07/33/1292230733.db2.gz HNXZETYKVNOODJ-UHFFFAOYSA-N -1 3 336.233 2.837 20 10 EFCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)C[C@@H]2C2CCC2)cc1Cl ZINC000826121412 1292246909 /nfs/dbraw/zinc/24/69/09/1292246909.db2.gz PUUQNPHSAJFTRG-OAHLLOKOSA-N -1 3 343.876 2.753 20 10 EFCDHM Cc1cc([O-])c(CN2CCC3(CCC3)S(=O)(=O)CC2)cc1Cl ZINC000826123026 1292249126 /nfs/dbraw/zinc/24/91/26/1292249126.db2.gz CPMTYYVHWGAAAD-UHFFFAOYSA-N -1 3 343.876 2.897 20 10 EFCDHM Cc1cc[nH]c(=O)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001190979095 1292408960 /nfs/dbraw/zinc/40/89/60/1292408960.db2.gz IWYGFOQYTCXTJS-UHFFFAOYSA-N -1 3 343.770 2.933 20 10 EFCDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]21 ZINC001233419096 1312928729 /nfs/dbraw/zinc/92/87/29/1312928729.db2.gz JEFGQAXLJLPWBJ-PJXYFTJBSA-N -1 3 329.318 2.652 20 10 EFCDHM CCC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419731 1312929037 /nfs/dbraw/zinc/92/90/37/1312929037.db2.gz KNXZMWSJUKLDFU-GFCCVEGCSA-N -1 3 330.350 2.902 20 10 EFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC(N2CCC(F)(F)C2)C1 ZINC001233455134 1312935285 /nfs/dbraw/zinc/93/52/85/1312935285.db2.gz XQBKVWMBDKJENB-UHFFFAOYSA-N -1 3 336.304 2.936 20 10 EFCDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203577668 1312961765 /nfs/dbraw/zinc/96/17/65/1312961765.db2.gz DHIGFKNSURKTMK-CHWSQXEVSA-N -1 3 329.227 2.894 20 10 EFCDHM O=C1CCC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)N1 ZINC001203584477 1312963077 /nfs/dbraw/zinc/96/30/77/1312963077.db2.gz BCSWTRPPYYUQCG-UHFFFAOYSA-N -1 3 329.227 2.944 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1C[C@H](CO)CC(F)(F)C1 ZINC001203636296 1312977098 /nfs/dbraw/zinc/97/70/98/1312977098.db2.gz SSUDPLNKABAROM-SECBINFHSA-N -1 3 336.176 2.604 20 10 EFCDHM O=C(Nc1cccn(CC2CC2)c1=O)c1ccc([O-])c(O)c1Cl ZINC001193236852 1293208571 /nfs/dbraw/zinc/20/85/71/1293208571.db2.gz RSTBRNBDJXEIIM-UHFFFAOYSA-N -1 3 334.759 2.575 20 10 EFCDHM CCOC(=O)C1=C(NC(=O)c2ccc([O-])c(O)c2Cl)CCCC1 ZINC001193236973 1293208903 /nfs/dbraw/zinc/20/89/03/1293208903.db2.gz VCADFMVJNQZBFB-UHFFFAOYSA-N -1 3 339.775 2.872 20 10 EFCDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c1 ZINC001193426425 1293304892 /nfs/dbraw/zinc/30/48/92/1293304892.db2.gz HSYFSBHPNLUJJN-UHFFFAOYSA-N -1 3 349.408 2.905 20 10 EFCDHM CCn1nncc1CNCc1cc(Cl)cc(Br)c1[O-] ZINC000883185012 1293498325 /nfs/dbraw/zinc/49/83/25/1293498325.db2.gz LQDUTCHCPRDANF-UHFFFAOYSA-N -1 3 345.628 2.709 20 10 EFCDHM Cn1c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c[nH]c1=S ZINC001194257953 1293573537 /nfs/dbraw/zinc/57/35/37/1293573537.db2.gz WUYNAHKHDHMCND-UHFFFAOYSA-N -1 3 348.815 2.546 20 10 EFCDHM Cc1c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])ncn1C ZINC001194866321 1293732587 /nfs/dbraw/zinc/73/25/87/1293732587.db2.gz JSFHAFAYCWWKFD-UHFFFAOYSA-N -1 3 330.775 2.566 20 10 EFCDHM CN1CCN(c2ccc(NCc3cccc(Cl)c3[O-])cn2)CC1 ZINC000775759308 1294459666 /nfs/dbraw/zinc/45/96/66/1294459666.db2.gz SYRDBGAHHUXMSR-UHFFFAOYSA-N -1 3 332.835 2.805 20 10 EFCDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC001197107328 1294459975 /nfs/dbraw/zinc/45/99/75/1294459975.db2.gz SZHRFLCKLKEZII-RMKNXTFCSA-N -1 3 347.392 2.688 20 10 EFCDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC001197110790 1294461156 /nfs/dbraw/zinc/46/11/56/1294461156.db2.gz XKMQGCBDEGDKOF-RMKNXTFCSA-N -1 3 347.392 2.688 20 10 EFCDHM CC(C)(C)CCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000104906277 1295442121 /nfs/dbraw/zinc/44/21/21/1295442121.db2.gz JAYZDSAFDMXNKZ-UHFFFAOYSA-N -1 3 342.461 2.710 20 10 EFCDHM Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])[nH]c1=O ZINC001199269417 1295469451 /nfs/dbraw/zinc/46/94/51/1295469451.db2.gz NJZRAEBLAYIDNL-UHFFFAOYSA-N -1 3 343.770 2.933 20 10 EFCDHM CCOC[C@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749725 1313188687 /nfs/dbraw/zinc/18/86/87/1313188687.db2.gz VLIMTSJWDUTFTI-VIFPVBQESA-N -1 3 346.335 2.867 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCC[C@H]1O ZINC001235057665 1313233530 /nfs/dbraw/zinc/23/35/30/1313233530.db2.gz QCNDZIKSLXBEBQ-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCC[C@@H]1O ZINC001235057523 1313233883 /nfs/dbraw/zinc/23/38/83/1313233883.db2.gz QCNDZIKSLXBEBQ-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM CCN1CCN(Cc2cc(Br)cc(F)c2[O-])[C@H](C)C1 ZINC001235076647 1313237914 /nfs/dbraw/zinc/23/79/14/1313237914.db2.gz ZZNKXHMDPXXGOW-SNVBAGLBSA-N -1 3 331.229 2.820 20 10 EFCDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(F)cc(Br)c1[O-] ZINC001235293539 1313283560 /nfs/dbraw/zinc/28/35/60/1313283560.db2.gz INVASCZFYZMZMQ-VHSXEESVSA-N -1 3 331.229 2.818 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H](CO)CC1 ZINC001235297540 1313283946 /nfs/dbraw/zinc/28/39/46/1313283946.db2.gz MYZFPBAQIAHBBZ-SNVBAGLBSA-N -1 3 332.213 2.888 20 10 EFCDHM C[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])CC[C@H]1O ZINC001235295889 1313284044 /nfs/dbraw/zinc/28/40/44/1313284044.db2.gz GHXWDONTTNGIOZ-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CC[C@@H](CO)CN1Cc1cc(F)cc(Br)c1[O-] ZINC001235298413 1313284608 /nfs/dbraw/zinc/28/46/08/1313284608.db2.gz SFGZIBJXERTPNT-NXEZZACHSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])CC[C@]1(C)O ZINC001235299348 1313284889 /nfs/dbraw/zinc/28/48/89/1313284889.db2.gz UJBFDBWWWJZEAS-OTYXRUKQSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@H]1CC[C@H](CO)CN1Cc1cc(F)cc(Br)c1[O-] ZINC001235298414 1313285004 /nfs/dbraw/zinc/28/50/04/1313285004.db2.gz SFGZIBJXERTPNT-UWVGGRQHSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC2(COC2)CC1 ZINC001235300277 1313285068 /nfs/dbraw/zinc/28/50/68/1313285068.db2.gz WTZQRKCKPSTBMH-UHFFFAOYSA-N -1 3 330.197 2.906 20 10 EFCDHM C[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])C[C@H](C)N1C ZINC001235301801 1313285544 /nfs/dbraw/zinc/28/55/44/1313285544.db2.gz HSEHEKLKAHFYHY-AOOOYVTPSA-N -1 3 331.229 2.818 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCN(CC2CC2)CC1 ZINC001235302253 1313285604 /nfs/dbraw/zinc/28/56/04/1313285604.db2.gz NPCSPRXBMHRWAJ-UHFFFAOYSA-N -1 3 343.240 2.821 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H]2OCC[C@H]2C1 ZINC001235305550 1313287170 /nfs/dbraw/zinc/28/71/70/1313287170.db2.gz NJWRDLDJSDNTSE-ZANVPECISA-N -1 3 330.197 2.905 20 10 EFCDHM N[C@]1(C(F)(F)F)CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001206244738 1313425365 /nfs/dbraw/zinc/42/53/65/1313425365.db2.gz MKLIPTCPFSFORA-LLVKDONJSA-N -1 3 328.256 2.877 20 10 EFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC001236793675 1313529808 /nfs/dbraw/zinc/52/98/08/1313529808.db2.gz NHOZYUFKZFCZSS-GFCCVEGCSA-N -1 3 331.243 2.606 20 10 EFCDHM O=C1CC2(CN1)CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236792666 1313530145 /nfs/dbraw/zinc/53/01/45/1313530145.db2.gz GMTBRSOIJLNIRH-UHFFFAOYSA-N -1 3 329.227 2.801 20 10 EFCDHM COc1cc([O-])c(CN2CCN(Cc3ccncc3)CC2)c(Cl)c1 ZINC001236797884 1313531298 /nfs/dbraw/zinc/53/12/98/1313531298.db2.gz BSONCZUHAAHKHM-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM COc1cc([O-])c(CN2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 ZINC001236804123 1313532332 /nfs/dbraw/zinc/53/23/32/1313532332.db2.gz SJBJVHOTDDMNNE-UHFFFAOYSA-N -1 3 340.851 2.745 20 10 EFCDHM COc1ccc(CN2CCC(N3CCCC3=O)CC2)c([O-])c1Cl ZINC001236807828 1313533074 /nfs/dbraw/zinc/53/30/74/1313533074.db2.gz SNIUKFVNOUOSQX-UHFFFAOYSA-N -1 3 338.835 2.641 20 10 EFCDHM COc1ccc(CN2C[C@@H]3COC[C@H](C2)C3(F)F)c([O-])c1Cl ZINC001236805962 1313533101 /nfs/dbraw/zinc/53/31/01/1313533101.db2.gz IGANZAHZZGTZSU-PHIMTYICSA-N -1 3 333.762 2.768 20 10 EFCDHM COc1ccc(CN2CCC[C@H](Oc3cnccn3)C2)c([O-])c1Cl ZINC001236810320 1313533966 /nfs/dbraw/zinc/53/39/66/1313533966.db2.gz SZHYFDBLTMMKNZ-ZDUSSCGKSA-N -1 3 349.818 2.888 20 10 EFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCN[C@H](C(F)(F)F)C1 ZINC001236996557 1313568471 /nfs/dbraw/zinc/56/84/71/1313568471.db2.gz OTFBBLCUGRSHKU-NSHDSACASA-N -1 3 328.256 2.747 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2cnccn2)c(Br)c1 ZINC001237066760 1313581007 /nfs/dbraw/zinc/58/10/07/1313581007.db2.gz AKWLSCSEJRUADW-UHFFFAOYSA-N -1 3 338.205 2.585 20 10 EFCDHM COc1cc([O-])c(CN2CCOCC23CC3)c(Br)c1 ZINC001237071888 1313581665 /nfs/dbraw/zinc/58/16/65/1313581665.db2.gz YDMPUCKGNQTJQC-UHFFFAOYSA-N -1 3 328.206 2.528 20 10 EFCDHM COc1cc([O-])c(CN2CCOC[C@@H]2C2CC2)c(Br)c1 ZINC001237070143 1313581970 /nfs/dbraw/zinc/58/19/70/1313581970.db2.gz KYXFYLYEJLLZDP-CQSZACIVSA-N -1 3 342.233 2.774 20 10 EFCDHM CN(C1CN(Cc2c([O-])ccc(Cl)c2Cl)C1)[C@H]1CCOC1 ZINC001237082062 1313583920 /nfs/dbraw/zinc/58/39/20/1313583920.db2.gz POLUNDULJZVNEK-JTQLQIEISA-N -1 3 331.243 2.604 20 10 EFCDHM Cc1cnc(O[C@@H]2CCN(Cc3c([O-])ccc(F)c3Cl)C2)nc1 ZINC001237126066 1313591215 /nfs/dbraw/zinc/59/12/15/1313591215.db2.gz FMDJONBEPLZOFQ-LLVKDONJSA-N -1 3 337.782 2.936 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCn3c(nnc3C(C)(C)C)C2)c1[O-] ZINC000852740985 1299849410 /nfs/dbraw/zinc/84/94/10/1299849410.db2.gz NNMURIOYMIQGAB-UHFFFAOYSA-N -1 3 346.406 2.639 20 10 EFCDHM Cc1cnc(O[C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC001237624624 1313678617 /nfs/dbraw/zinc/67/86/17/1313678617.db2.gz WUPNDYNNONPJEC-ZDUSSCGKSA-N -1 3 337.782 2.936 20 10 EFCDHM COC(=O)[C@@H]1CCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237678440 1313689639 /nfs/dbraw/zinc/68/96/39/1313689639.db2.gz ZCNDWCDYISQDRR-LBPRGKRZSA-N -1 3 328.206 2.601 20 10 EFCDHM [O-]c1c(I)cccc1CN1CCC(F)CC1 ZINC001237778475 1313704981 /nfs/dbraw/zinc/70/49/81/1313704981.db2.gz WJFCMSWBOMQCCJ-UHFFFAOYSA-N -1 3 335.160 2.931 20 10 EFCDHM [O-]c1c(Br)cc(Cl)cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000718157807 1300587996 /nfs/dbraw/zinc/58/79/96/1300587996.db2.gz WXZHRBFQUPAQGR-AOOOYVTPSA-N -1 3 332.625 2.886 20 10 EFCDHM CO[C@H]1CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237785704 1313705626 /nfs/dbraw/zinc/70/56/26/1313705626.db2.gz MELYALUCPDBFRN-NSHDSACASA-N -1 3 347.196 2.608 20 10 EFCDHM CN(C)C(=O)[C@H]1CC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237798819 1313708356 /nfs/dbraw/zinc/70/83/56/1313708356.db2.gz BMDHLTYJUREPNK-CYBMUJFWSA-N -1 3 340.826 2.875 20 10 EFCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@]2(CCN2c2ncccn2)C1 ZINC001237798726 1313708046 /nfs/dbraw/zinc/70/80/46/1313708046.db2.gz AOAFBMKELHDZQX-KRWDZBQOSA-N -1 3 348.809 2.830 20 10 EFCDHM COc1ncnc2c1CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237936036 1313733548 /nfs/dbraw/zinc/73/35/48/1313733548.db2.gz FRSZUJPGQNPDQC-UHFFFAOYSA-N -1 3 337.782 2.584 20 10 EFCDHM COC(=O)[C@H]1CCCCN1Cc1c([O-])cccc1Br ZINC000862215014 1302307899 /nfs/dbraw/zinc/30/78/99/1302307899.db2.gz DUWVXYBXGXNFDU-GFCCVEGCSA-N -1 3 328.206 2.682 20 10 EFCDHM Cn1ncc(Br)c1CNCc1c([O-])ccc(Cl)c1F ZINC000865681615 1303363954 /nfs/dbraw/zinc/36/39/54/1303363954.db2.gz ZZOVFDJDDJEACR-UHFFFAOYSA-N -1 3 348.603 2.971 20 10 EFCDHM [O-]c1cc(O)c(CN2CC3(CCN3Cc3ccc[nH]3)C2)cc1Cl ZINC001276617346 1314093833 /nfs/dbraw/zinc/09/38/33/1314093833.db2.gz QLMHICXAEGAZOJ-UHFFFAOYSA-N -1 3 333.819 2.540 20 10 EFCDHM CCCC(=O)NC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000750817927 1311095754 /nfs/dbraw/zinc/09/57/54/1311095754.db2.gz YZLMMLJBTMLNAT-UHFFFAOYSA-N -1 3 336.407 2.615 20 10 EFCDHM CN1CC2(C1)CCCN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001276836914 1311181925 /nfs/dbraw/zinc/18/19/25/1311181925.db2.gz BMDDZGPTYKROCX-UHFFFAOYSA-N -1 3 343.240 2.821 20 10 EFCDHM CCN1CC[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380112 1311658730 /nfs/dbraw/zinc/65/87/30/1311658730.db2.gz NQENRVURVWKAPO-GFCCVEGCSA-N -1 3 337.375 2.641 20 10 EFCDHM CC(C)N1CC(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380593 1311658781 /nfs/dbraw/zinc/65/87/81/1311658781.db2.gz YNFMGEDQTSZXPZ-UHFFFAOYSA-N -1 3 337.375 2.639 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCn4ccnc43)cccc21 ZINC001226380358 1311658803 /nfs/dbraw/zinc/65/88/03/1311658803.db2.gz RXKBZIFROWOKKU-OAHLLOKOSA-N -1 3 346.342 2.888 20 10 EFCDHM CC[C@H](COC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226379563 1311659057 /nfs/dbraw/zinc/65/90/57/1311659057.db2.gz FAUVCNAFDVUADR-LLVKDONJSA-N -1 3 326.348 2.971 20 10 EFCDHM C=CC(=O)OC[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940247 1311876597 /nfs/dbraw/zinc/87/65/97/1311876597.db2.gz JBMICHODUZPPLD-LBPRGKRZSA-N -1 3 342.347 2.825 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCOC[C@H]1F ZINC001227941783 1311877396 /nfs/dbraw/zinc/87/73/96/1311877396.db2.gz WSHGRQFEWBQTLM-UKRRQHHQSA-N -1 3 332.327 2.835 20 10 EFCDHM CC1=C(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C(=O)O[C@@H]1C ZINC001227941821 1311877412 /nfs/dbraw/zinc/87/74/12/1311877412.db2.gz XQJWLSBHSVTXOF-LLVKDONJSA-N -1 3 340.331 2.927 20 10 EFCDHM Cc1cc(O[C@H]2COC[C@@H]2C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543181 1312111365 /nfs/dbraw/zinc/11/13/65/1312111365.db2.gz WPKHJSFFOBVXKC-ZBEGNZNMSA-N -1 3 338.359 2.890 20 10 EFCDHM CN1C[C@@H]2CN(Cc3cc(Cl)c(C(C)(C)C)cc3[O-])C[C@H](C1)O2 ZINC001277409282 1312122738 /nfs/dbraw/zinc/12/27/38/1312122738.db2.gz KOYZAJLYLATYTK-OKILXGFUSA-N -1 3 338.879 2.858 20 10 EFCDHM CC(C)(C)NC(=O)c1[nH]nc2c1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001277458846 1312256870 /nfs/dbraw/zinc/25/68/70/1312256870.db2.gz XGXBTWSOJZHWFR-UHFFFAOYSA-N -1 3 348.834 2.813 20 10 EFCDHM Cc1noc(NC(=O)[C@@H]2CC23CN(Cc2c([O-])cccc2F)C3)c1C ZINC001277484563 1312424470 /nfs/dbraw/zinc/42/44/70/1312424470.db2.gz QYABUVKUIGGJAR-ZDUSSCGKSA-N -1 3 345.374 2.597 20 10 EFCDHM CC(C)OCC[NH+](CCOC(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452206 1312500260 /nfs/dbraw/zinc/50/02/60/1312500260.db2.gz GYBQNZHKFDQTSI-UHFFFAOYSA-N -1 3 339.432 2.742 20 10 EFCDHM CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452782 1312500425 /nfs/dbraw/zinc/50/04/25/1312500425.db2.gz FAJVBLSGNKTMRV-UHFFFAOYSA-N -1 3 329.352 2.841 20 10 EFCDHM CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452782 1312500429 /nfs/dbraw/zinc/50/04/29/1312500429.db2.gz FAJVBLSGNKTMRV-UHFFFAOYSA-N -1 3 329.352 2.841 20 10 EFCDHM CN1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1c1ccccc1 ZINC001231451745 1312500678 /nfs/dbraw/zinc/50/06/78/1312500678.db2.gz SVTJHXQXWZPIIG-KRWDZBQOSA-N -1 3 326.396 2.579 20 10 EFCDHM CN1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1c1ccccc1 ZINC001231451745 1312500682 /nfs/dbraw/zinc/50/06/82/1312500682.db2.gz SVTJHXQXWZPIIG-KRWDZBQOSA-N -1 3 326.396 2.579 20 10 EFCDHM COc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452920 1312501056 /nfs/dbraw/zinc/50/10/56/1312501056.db2.gz WZKJOSAXVXCGNY-OAHLLOKOSA-N -1 3 343.379 2.752 20 10 EFCDHM COc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452920 1312501058 /nfs/dbraw/zinc/50/10/58/1312501058.db2.gz WZKJOSAXVXCGNY-OAHLLOKOSA-N -1 3 343.379 2.752 20 10 EFCDHM Cc1ccnc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)c1 ZINC001231452924 1312501180 /nfs/dbraw/zinc/50/11/80/1312501180.db2.gz HSKDIAGDEWXPER-UHFFFAOYSA-N -1 3 342.395 2.837 20 10 EFCDHM CCOC(=O)C1(C(C)C)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231454609 1312501493 /nfs/dbraw/zinc/50/14/93/1312501493.db2.gz SOPOXTIRPLZCTM-UHFFFAOYSA-N -1 3 349.427 2.892 20 10 EFCDHM Cc1cc(F)ccc1N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566421 1312526293 /nfs/dbraw/zinc/52/62/93/1312526293.db2.gz JLWKCZHZBBLFJD-UHFFFAOYSA-N -1 3 344.386 2.860 20 10 EFCDHM COC(=O)c1cccc(CN(C)Cc2cc(C(=O)[O-])ccc2O)c1 ZINC001231566171 1312526401 /nfs/dbraw/zinc/52/64/01/1312526401.db2.gz SORJASXMTSXJTA-UHFFFAOYSA-N -1 3 329.352 2.509 20 10 EFCDHM COC(=O)CC[C@H]1COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231871995 1312578131 /nfs/dbraw/zinc/57/81/31/1312578131.db2.gz UUIKPMDRZKJEDZ-ZDUSSCGKSA-N -1 3 327.808 2.508 20 10 EFCDHM CCOC(=O)[C@@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])CCC1=O ZINC001231869346 1312578411 /nfs/dbraw/zinc/57/84/11/1312578411.db2.gz MDGHEVGPSMFTNC-CYBMUJFWSA-N -1 3 339.819 2.698 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)c1ccncc1 ZINC001231912984 1312586831 /nfs/dbraw/zinc/58/68/31/1312586831.db2.gz BXOVBAZQXZBCBM-OAHLLOKOSA-N -1 3 345.830 2.835 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)N1CCCC1 ZINC001231913275 1312587377 /nfs/dbraw/zinc/58/73/77/1312587377.db2.gz KDMRSGLERVISEA-CQSZACIVSA-N -1 3 337.851 2.815 20 10 EFCDHM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)c([O-])cc1O ZINC001232262713 1312661101 /nfs/dbraw/zinc/66/11/01/1312661101.db2.gz NDKBKAHNWREZJC-PKWAYOAASA-N -1 3 339.819 2.915 20 10 EFCDHM CCOC(=O)C1(F)CCN(Cc2cc(Cl)c(OC)cc2[O-])CC1 ZINC001232263985 1312661754 /nfs/dbraw/zinc/66/17/54/1312661754.db2.gz CTADLCCUNIFFPF-UHFFFAOYSA-N -1 3 345.798 2.921 20 10 EFCDHM COc1cc([O-])c(CN2CCN3CC(F)(F)C[C@H]3C2)cc1Cl ZINC001232267350 1312661843 /nfs/dbraw/zinc/66/18/43/1312661843.db2.gz ADGHHXMZZFLZFP-NSHDSACASA-N -1 3 332.778 2.579 20 10 EFCDHM COc1cc([O-])c(CN2CCN(C(=O)C(C)(C)C)CC2)cc1Cl ZINC001232267941 1312663018 /nfs/dbraw/zinc/66/30/18/1312663018.db2.gz KMWDWXHDBZMRQX-UHFFFAOYSA-N -1 3 340.851 2.745 20 10 EFCDHM CCOC(=O)[C@@H]1CSCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269213 1312663115 /nfs/dbraw/zinc/66/31/15/1312663115.db2.gz TXLVDAFSGTWSPD-LBPRGKRZSA-N -1 3 345.848 2.535 20 10 EFCDHM CCN1CCc2ccc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)cc21 ZINC001215327428 1314816180 /nfs/dbraw/zinc/81/61/80/1314816180.db2.gz ANLCZINIGOYPGC-UHFFFAOYSA-N -1 3 339.351 2.903 20 10 EFCDHM COCOc1ccccc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215327754 1314816214 /nfs/dbraw/zinc/81/62/14/1314816214.db2.gz RAMPVERZGXHNGF-UHFFFAOYSA-N -1 3 330.296 2.503 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001215327712 1314816627 /nfs/dbraw/zinc/81/66/27/1314816627.db2.gz PLABCFJBQQINPO-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@@H]2C)cc1I ZINC001248462008 1314937239 /nfs/dbraw/zinc/93/72/39/1314937239.db2.gz JZVMGCWKKFNPKJ-QMMMGPOBSA-N -1 3 333.169 2.600 20 10 EFCDHM O=S(=O)([N-]Cc1ccc(O)cc1O)c1cc(Cl)ccc1Cl ZINC001251371653 1315343138 /nfs/dbraw/zinc/34/31/38/1315343138.db2.gz HFCZCCRLIGLYCV-UHFFFAOYSA-N -1 3 348.207 2.883 20 10 EFCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1OC ZINC001257083260 1316031741 /nfs/dbraw/zinc/03/17/41/1316031741.db2.gz LYBHPNIDISANGR-UHFFFAOYSA-N -1 3 337.397 2.827 20 10 EFCDHM O=S(=O)([N-]Cc1cccc(O)c1O)c1cccc(Cl)c1Cl ZINC001257293965 1316054230 /nfs/dbraw/zinc/05/42/30/1316054230.db2.gz WBAYHMQBAQCCFC-UHFFFAOYSA-N -1 3 348.207 2.883 20 10 EFCDHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC001259323508 1316230417 /nfs/dbraw/zinc/23/04/17/1316230417.db2.gz PYVDDFVZJYPGTF-UHFFFAOYSA-N -1 3 349.408 2.607 20 10 EFCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001259384505 1316235779 /nfs/dbraw/zinc/23/57/79/1316235779.db2.gz UFGGUDHEUCKRKW-UHFFFAOYSA-N -1 3 334.353 2.657 20 10 EFCDHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1F ZINC001260662241 1316356344 /nfs/dbraw/zinc/35/63/44/1316356344.db2.gz MIVPOVSODWHSLC-UHFFFAOYSA-N -1 3 325.361 2.958 20 10 EFCDHM COc1cc(O)ccc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC001260694942 1316360377 /nfs/dbraw/zinc/36/03/77/1316360377.db2.gz MIWNGVSLBVJFQW-UHFFFAOYSA-N -1 3 327.789 2.996 20 10 EFCDHM CC(C)CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000728300054 1319571989 /nfs/dbraw/zinc/57/19/89/1319571989.db2.gz VMQAQAPUZLGXSE-UHFFFAOYSA-N -1 3 327.812 2.727 20 10 EFCDHM CN(C)c1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1F ZINC000901526441 1324744996 /nfs/dbraw/zinc/74/49/96/1324744996.db2.gz BCEJJGGMAXANAB-SFHVURJKSA-N -1 3 344.386 2.742 20 10 EFCDHM C[C@@H]1CN(c2ccc(CNc3cc(=O)[n-]cn3)cc2F)C[C@H](C)O1 ZINC001333642012 1331185987 /nfs/dbraw/zinc/18/59/87/1331185987.db2.gz VUEQTHNGJMPMSF-TXEJJXNPSA-N -1 3 332.379 2.547 20 10 EFCDHM Cc1cc(=O)[n-]c(C=Cc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001342253073 1332324818 /nfs/dbraw/zinc/32/48/18/1332324818.db2.gz DVSLGRMRTBTPHK-GQCTYLIASA-N -1 3 328.391 2.552 20 10 EFCDHM COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC001347229506 1332726069 /nfs/dbraw/zinc/72/60/69/1332726069.db2.gz LZHYPVFAETVIFZ-UHFFFAOYSA-N -1 3 341.363 2.786 20 10 EFCDHM CC(C)n1cc(C2=CCCN(C(=O)c3cccc(O)c3[O-])CC2)nn1 ZINC000848192480 1334427034 /nfs/dbraw/zinc/42/70/34/1334427034.db2.gz DRSDLUOJTVJUCL-UHFFFAOYSA-N -1 3 342.399 2.590 20 10 EFCDHM CC1(C)C(=O)N[C@H]1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000848919501 1334986221 /nfs/dbraw/zinc/98/62/21/1334986221.db2.gz ZDIXOELXKLGJFZ-HNNXBMFYSA-N -1 3 340.826 2.921 20 10 EFCDHM CC1(C)C(=O)N[C@@H]1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000848919502 1334986265 /nfs/dbraw/zinc/98/62/65/1334986265.db2.gz ZDIXOELXKLGJFZ-OAHLLOKOSA-N -1 3 340.826 2.921 20 10 EFCDHM CC1(C)C(=O)N[C@H]1C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000848921392 1334987357 /nfs/dbraw/zinc/98/73/57/1334987357.db2.gz SHIIEQVESMMBOZ-HNNXBMFYSA-N -1 3 340.826 2.921 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826210509 1428851612 /nfs/dbraw/zinc/85/16/12/1428851612.db2.gz UOWUHVAHHQSZRK-JTQLQIEISA-N -1 3 343.362 2.571 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826210509 1428851619 /nfs/dbraw/zinc/85/16/19/1428851619.db2.gz UOWUHVAHHQSZRK-JTQLQIEISA-N -1 3 343.362 2.571 20 10 EFCDHM C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736135093 1446480946 /nfs/dbraw/zinc/48/09/46/1446480946.db2.gz MXTHBNQTQMWJRU-GFCCVEGCSA-N -1 3 340.406 2.923 20 10 EFCDHM C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135093 1446480948 /nfs/dbraw/zinc/48/09/48/1446480948.db2.gz MXTHBNQTQMWJRU-GFCCVEGCSA-N -1 3 340.406 2.923 20 10 EFCDHM CCOC(=O)Cc1cccc(N(C)C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000889463748 714301512 /nfs/dbraw/zinc/30/15/12/714301512.db2.gz ARWLPRULBZYAGA-UHFFFAOYSA-N -1 3 343.379 2.788 20 10 EFCDHM O=C1[N-]C(=O)C(=CNCc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000255539261 715787251 /nfs/dbraw/zinc/78/72/51/715787251.db2.gz NYGPKNHYMNXATO-RGEXLXHISA-N -1 3 347.418 2.688 20 10 EFCDHM COC(=O)[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000728565975 724097952 /nfs/dbraw/zinc/09/79/52/724097952.db2.gz YOKBPAIBJXZFPS-GOSISDBHSA-N -1 3 341.363 2.665 20 10 EFCDHM COC(=O)[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000728565976 724097976 /nfs/dbraw/zinc/09/79/76/724097976.db2.gz YOKBPAIBJXZFPS-SFHVURJKSA-N -1 3 341.363 2.665 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCC=CO1 ZINC000193921284 720961614 /nfs/dbraw/zinc/96/16/14/720961614.db2.gz WNHROVYLNXDHQY-AWEZNQCLSA-N -1 3 325.792 2.713 20 10 EFCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000894540751 722776260 /nfs/dbraw/zinc/77/62/60/722776260.db2.gz MWOSVTBNAPKKLF-QGZVFWFLSA-N -1 3 346.377 2.903 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC([C@H]2CCOC2)C1 ZINC000894603858 722790307 /nfs/dbraw/zinc/79/03/07/722790307.db2.gz CQMIXHVUBOJMLV-VIFPVBQESA-N -1 3 330.197 2.762 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](CO)CC1 ZINC000894866344 722918788 /nfs/dbraw/zinc/91/87/88/722918788.db2.gz RBMDVFMKNYYOSS-SNVBAGLBSA-N -1 3 332.213 2.888 20 10 EFCDHM NC(=O)c1cccc(CN(Cc2cc(F)cc(F)c2[O-])C2CC2)c1 ZINC000894877364 722932912 /nfs/dbraw/zinc/93/29/12/722932912.db2.gz VNQLHMYTCWEUDW-UHFFFAOYSA-N -1 3 332.350 2.934 20 10 EFCDHM C[C@H]1[C@@H](CO)CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000895015209 723050784 /nfs/dbraw/zinc/05/07/84/723050784.db2.gz UHEQZJGWWZKPIY-VHSXEESVSA-N -1 3 332.213 2.887 20 10 EFCDHM CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)ccc1[O-] ZINC000895863343 724346386 /nfs/dbraw/zinc/34/63/86/724346386.db2.gz IUERTRIOMCKFOD-KGLIPLIRSA-N -1 3 327.808 2.636 20 10 EFCDHM O=C([O-])c1cc(O)ccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000910369222 727434988 /nfs/dbraw/zinc/43/49/88/727434988.db2.gz ARDWLAHQDABJCC-UHFFFAOYSA-N -1 3 340.379 2.939 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000912098998 727660085 /nfs/dbraw/zinc/66/00/85/727660085.db2.gz KAMHCVKDKFLXLL-WBVHZDCISA-N -1 3 327.380 2.826 20 10 EFCDHM CCOC(=O)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000158094604 728298350 /nfs/dbraw/zinc/29/83/50/728298350.db2.gz JTTUTCXZFJHDDO-UHFFFAOYSA-N -1 3 342.233 2.930 20 10 EFCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2nnc3ccccn32)c1[O-] ZINC000182702130 728328663 /nfs/dbraw/zinc/32/86/63/728328663.db2.gz IFPYVEMCFBSWME-JTQLQIEISA-N -1 3 328.347 2.627 20 10 EFCDHM CC[C@@H](C(=O)OC)N(CC)Cc1cc(Br)ccc1[O-] ZINC000174426679 728663525 /nfs/dbraw/zinc/66/35/25/728663525.db2.gz GEPYNAPETQVKCQ-LBPRGKRZSA-N -1 3 330.222 2.928 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC001600072462 970755272 /nfs/dbraw/zinc/75/52/72/970755272.db2.gz WWDBLEHSUXMBET-SKDRFNHKSA-N -1 3 328.206 2.806 20 10 EFCDHM CN(C)c1ccc(/C=C/CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900073691 980245396 /nfs/dbraw/zinc/24/53/96/980245396.db2.gz KTGLGTLZCIIXPQ-WMHVBEDNSA-N -1 3 340.427 2.785 20 10 EFCDHM CCC[N@H+](CC(=O)[O-])Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC001595856280 982787616 /nfs/dbraw/zinc/78/76/16/982787616.db2.gz ZJNMFRSZBSTLIO-UHFFFAOYSA-N -1 3 331.368 2.629 20 10 EFCDHM CCC[N@@H+](CC(=O)[O-])Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC001595856280 982787620 /nfs/dbraw/zinc/78/76/20/982787620.db2.gz ZJNMFRSZBSTLIO-UHFFFAOYSA-N -1 3 331.368 2.629 20 10 EFCDHM CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001589145552 985460199 /nfs/dbraw/zinc/46/01/99/985460199.db2.gz BCQODYNBFYDSJE-GFCCVEGCSA-N -1 3 342.395 2.577 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001599598217 993777080 /nfs/dbraw/zinc/77/70/80/993777080.db2.gz IJSQODRLYGFZDR-JTQLQIEISA-N -1 3 346.339 2.858 20 10 EFCDHM COc1ccc(OC)c(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001599602734 993840244 /nfs/dbraw/zinc/84/02/44/993840244.db2.gz QURZBDBWIWWTFW-NSHDSACASA-N -1 3 331.368 2.958 20 10 EFCDHM COc1ccc(OC)c(CN[C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001599602733 993840308 /nfs/dbraw/zinc/84/03/08/993840308.db2.gz QURZBDBWIWWTFW-LLVKDONJSA-N -1 3 331.368 2.958 20 10 EFCDHM C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247223 994463022 /nfs/dbraw/zinc/46/30/22/994463022.db2.gz QIDUZTVLRHPDLD-VFZGTOFNSA-N -1 3 337.322 2.753 20 10 EFCDHM C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247230 994463207 /nfs/dbraw/zinc/46/32/07/994463207.db2.gz FQJIEEXGSGEEHT-RNODOKPDSA-N -1 3 341.407 2.618 20 10 EFCDHM C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252901 994510458 /nfs/dbraw/zinc/51/04/58/994510458.db2.gz WIVADCGPHFEZEG-PLMOITTCSA-N -1 3 333.306 2.851 20 10 EFCDHM C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274471 994625440 /nfs/dbraw/zinc/62/54/40/994625440.db2.gz LHFDURBTLYYKDL-LLVKDONJSA-N -1 3 325.368 2.860 20 10 EFCDHM C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275691 994629897 /nfs/dbraw/zinc/62/98/97/994629897.db2.gz UOJMOZUMLUUUMT-LBPRGKRZSA-N -1 3 329.400 2.517 20 10 EFCDHM COc1ccc([C@@H](NCc2ccc(N(C)C)cc2C)C(=O)[O-])cc1O ZINC001599531265 997658203 /nfs/dbraw/zinc/65/82/03/997658203.db2.gz IXLCYMJUUBEBBP-GOSISDBHSA-N -1 3 344.411 2.691 20 10 EFCDHM COc1cc(Br)cc(C[N@@H+](C)C(C)(C)CC(=O)[O-])c1[O-] ZINC001599346790 998020844 /nfs/dbraw/zinc/02/08/44/998020844.db2.gz WESVUFGTEZYRPW-UHFFFAOYSA-N -1 3 346.221 2.848 20 10 EFCDHM COc1cc(Br)cc(C[N@H+](C)C(C)(C)CC(=O)[O-])c1[O-] ZINC001599346790 998020832 /nfs/dbraw/zinc/02/08/32/998020832.db2.gz WESVUFGTEZYRPW-UHFFFAOYSA-N -1 3 346.221 2.848 20 10 EFCDHM COc1cc(OC)cc([C@@H]([NH2+][C@H](C)c2ccccc2[O-])C(=O)[O-])c1 ZINC001599452598 998130949 /nfs/dbraw/zinc/13/09/49/998130949.db2.gz DLIOSBMWDOFEEX-PIGZYNQJSA-N -1 3 331.368 2.886 20 10 EFCDHM Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1-c1nnn[n-]1 ZINC001581199837 1091091279 /nfs/dbraw/zinc/09/12/79/1091091279.db2.gz VDBDAHURZPOMHB-UHFFFAOYSA-N -1 3 347.781 2.963 20 10 EFCDHM Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1-c1nn[n-]n1 ZINC001581199837 1091091286 /nfs/dbraw/zinc/09/12/86/1091091286.db2.gz VDBDAHURZPOMHB-UHFFFAOYSA-N -1 3 347.781 2.963 20 10 EFCDHM Brc1cc(-c2nnn[n-]2)cnc1Sc1nccs1 ZINC001588316405 1092917427 /nfs/dbraw/zinc/91/74/27/1092917427.db2.gz UMVRNHBQJGDKJH-UHFFFAOYSA-N -1 3 341.219 2.632 20 10 EFCDHM Brc1cc(-c2nn[n-]n2)cnc1Sc1nccs1 ZINC001588316405 1092917439 /nfs/dbraw/zinc/91/74/39/1092917439.db2.gz UMVRNHBQJGDKJH-UHFFFAOYSA-N -1 3 341.219 2.632 20 10 EFCDHM C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952234 1093192015 /nfs/dbraw/zinc/19/20/15/1093192015.db2.gz QBWZLWUBOCYEDR-BDJLRTHQSA-N -1 3 336.399 2.769 20 10 EFCDHM C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953076 1093192214 /nfs/dbraw/zinc/19/22/14/1093192214.db2.gz YNRKQULATFITFU-BDJLRTHQSA-N -1 3 336.399 2.769 20 10 EFCDHM C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589970012 1093202663 /nfs/dbraw/zinc/20/26/63/1093202663.db2.gz JPZKOHBCVDLOOO-LBPRGKRZSA-N -1 3 335.411 2.912 20 10 EFCDHM CC[C@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462643 1093431824 /nfs/dbraw/zinc/43/18/24/1093431824.db2.gz DQDXIDBLPWZPOD-CABZTGNLSA-N -1 3 325.363 2.904 20 10 EFCDHM CC[C@@H]([NH2+]CC(CC)(CC)CCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590463635 1093433975 /nfs/dbraw/zinc/43/39/75/1093433975.db2.gz KKQJWIBWLAFJBN-OAHLLOKOSA-N -1 3 347.463 2.802 20 10 EFCDHM CC[C@H]([NH2+]CCc1ccsc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465853 1093436397 /nfs/dbraw/zinc/43/63/97/1093436397.db2.gz HDJYQTCYFAWEBJ-AWEZNQCLSA-N -1 3 329.429 2.917 20 10 EFCDHM CC[C@@H]([NH2+]CCc1ccsc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465855 1093437144 /nfs/dbraw/zinc/43/71/44/1093437144.db2.gz HDJYQTCYFAWEBJ-CQSZACIVSA-N -1 3 329.429 2.917 20 10 EFCDHM CC[C@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466196 1093437300 /nfs/dbraw/zinc/43/73/00/1093437300.db2.gz IYNJSYANGMTOID-RISCZKNCSA-N -1 3 333.461 2.756 20 10 EFCDHM CC[C@@H]([NH2+]C1CCC(OC)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466418 1093438532 /nfs/dbraw/zinc/43/85/32/1093438532.db2.gz MNKBRVKMGYASAB-KOHJWAIASA-N -1 3 331.420 2.571 20 10 EFCDHM CC[C@@H]([NH2+]CCCc1ccco1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466661 1093438730 /nfs/dbraw/zinc/43/87/30/1093438730.db2.gz LLUIUELHNURUKE-OAHLLOKOSA-N -1 3 327.388 2.839 20 10 EFCDHM CC[C@H]([NH2+]CCC1(OC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469055 1093442660 /nfs/dbraw/zinc/44/26/60/1093442660.db2.gz XOJMKIOOADLWTE-AWEZNQCLSA-N -1 3 331.420 2.572 20 10 EFCDHM CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590842667 1093594280 /nfs/dbraw/zinc/59/42/80/1093594280.db2.gz HTCLKNMJDUHHNN-LBPRGKRZSA-N -1 3 339.399 2.822 20 10 EFCDHM COC1(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCCCC1 ZINC001591342784 1093699380 /nfs/dbraw/zinc/69/93/80/1093699380.db2.gz QWCKQWRTJUIBNQ-LBPRGKRZSA-N -1 3 331.420 2.572 20 10 EFCDHM COC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccc1 ZINC001591382923 1093712782 /nfs/dbraw/zinc/71/27/82/1093712782.db2.gz ZCKSDZVBSJQUQM-WBMJQRKESA-N -1 3 339.399 2.611 20 10 EFCDHM COCC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccco1 ZINC001591400149 1093714351 /nfs/dbraw/zinc/71/43/51/1093714351.db2.gz NEBDKIJMNFUOHG-RISCZKNCSA-N -1 3 343.387 2.594 20 10 EFCDHM COc1ccc2c(c1)CCCN2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591626904 1093805468 /nfs/dbraw/zinc/80/54/68/1093805468.db2.gz SGWWECKWOKJLRF-UHFFFAOYSA-N -1 3 339.374 2.967 20 10 EFCDHM COc1ccc2c(c1)CCCN2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591626904 1093805473 /nfs/dbraw/zinc/80/54/73/1093805473.db2.gz SGWWECKWOKJLRF-UHFFFAOYSA-N -1 3 339.374 2.967 20 10 EFCDHM CS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591701896 1093833230 /nfs/dbraw/zinc/83/32/30/1093833230.db2.gz QELSZUAYHBWXON-LERXQTSPSA-N -1 3 333.461 2.897 20 10 EFCDHM Cc1ccc(O)c(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592186679 1094023778 /nfs/dbraw/zinc/02/37/78/1094023778.db2.gz WKXUNRJTSAJYGK-UHFFFAOYSA-N -1 3 340.343 2.709 20 10 EFCDHM Cc1ccc(O)c(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001592186679 1094023784 /nfs/dbraw/zinc/02/37/84/1094023784.db2.gz WKXUNRJTSAJYGK-UHFFFAOYSA-N -1 3 340.343 2.709 20 10 EFCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1C1CCC1 ZINC001593376615 1094302726 /nfs/dbraw/zinc/30/27/26/1094302726.db2.gz YUQQUHBWRIBYNA-BJMVGYQFSA-N -1 3 349.466 2.682 20 10 EFCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1C1CCC1 ZINC001593376615 1094302731 /nfs/dbraw/zinc/30/27/31/1094302731.db2.gz YUQQUHBWRIBYNA-BJMVGYQFSA-N -1 3 349.466 2.682 20 10 EFCDHM Oc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1O ZINC001593540610 1094352003 /nfs/dbraw/zinc/35/20/03/1094352003.db2.gz LIANCMXCGKMLAF-UHFFFAOYSA-N -1 3 331.763 2.586 20 10 EFCDHM Oc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1O ZINC001593540610 1094352010 /nfs/dbraw/zinc/35/20/10/1094352010.db2.gz LIANCMXCGKMLAF-UHFFFAOYSA-N -1 3 331.763 2.586 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001593539493 1094353320 /nfs/dbraw/zinc/35/33/20/1094353320.db2.gz UGGPOLDPIGQZTF-UHFFFAOYSA-N -1 3 347.781 2.697 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001593539493 1094353332 /nfs/dbraw/zinc/35/33/32/1094353332.db2.gz UGGPOLDPIGQZTF-UHFFFAOYSA-N -1 3 347.781 2.697 20 10 EFCDHM Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1C ZINC001600402753 1095037673 /nfs/dbraw/zinc/03/76/73/1095037673.db2.gz SLPPQQZBCOTZIC-WMLDXEAASA-N -1 3 343.423 2.961 20 10 EFCDHM Cn1c(CNCc2ccc(N3CCSCC3)cc2)ccc1C(=O)[O-] ZINC001600916075 1095426177 /nfs/dbraw/zinc/42/61/77/1095426177.db2.gz MCGTUKBOHOJIMZ-UHFFFAOYSA-N -1 3 345.468 2.566 20 10 EFCDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)CCO2 ZINC001601675372 1095806188 /nfs/dbraw/zinc/80/61/88/1095806188.db2.gz VRECMUVCILEMFR-LJQANCHMSA-N -1 3 339.391 2.862 20 10 EFCDHM O=C([O-])c1coc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC001602556750 1096297284 /nfs/dbraw/zinc/29/72/84/1096297284.db2.gz VCHCEQGSNMNWMY-UHFFFAOYSA-N -1 3 326.146 2.736 20 10 EFCDHM O=C([O-])c1occc1CNCc1ccc(N2CCSCC2)cc1 ZINC001602591182 1096309813 /nfs/dbraw/zinc/30/98/13/1096309813.db2.gz VZTAVPXOYZMYGE-UHFFFAOYSA-N -1 3 332.425 2.821 20 10 EFCDHM CC(C)c1cc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])on1 ZINC001603393296 1096518592 /nfs/dbraw/zinc/51/85/92/1096518592.db2.gz VUDOFYNGJWAYJM-SNVBAGLBSA-N -1 3 328.376 2.535 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658579 1096581034 /nfs/dbraw/zinc/58/10/34/1096581034.db2.gz TYGPVNTXQNANDR-WDEREUQCSA-N -1 3 333.461 2.897 20 10 EFCDHM C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658576 1096582464 /nfs/dbraw/zinc/58/24/64/1096582464.db2.gz TYGPVNTXQNANDR-GHMZBOCLSA-N -1 3 333.461 2.897 20 10 EFCDHM CC[C@H]([NH2+]CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[O-] ZINC001604060734 1096715481 /nfs/dbraw/zinc/71/54/81/1096715481.db2.gz IVPKETHFRVEMOW-INIZCTEOSA-N -1 3 341.390 2.995 20 10 EFCDHM C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340385 1096820067 /nfs/dbraw/zinc/82/00/67/1096820067.db2.gz BYZWECKHFAVEBP-LBPRGKRZSA-N -1 3 346.452 2.861 20 10 EFCDHM C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340103 1096820746 /nfs/dbraw/zinc/82/07/46/1096820746.db2.gz FYHKHZRBHSKENJ-VIFPVBQESA-N -1 3 343.305 2.657 20 10 EFCDHM COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1-c1nnn[n-]1 ZINC001605283866 1097081483 /nfs/dbraw/zinc/08/14/83/1097081483.db2.gz TWZYSDZHPKSOCI-JTQLQIEISA-N -1 3 343.362 2.571 20 10 EFCDHM Cc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])ccc1-c1nn[n-]n1 ZINC001605661313 1097182335 /nfs/dbraw/zinc/18/23/35/1097182335.db2.gz WNMBWJIKSFCADH-UHFFFAOYSA-N -1 3 329.791 2.824 20 10 EFCDHM Cc1ccncc1C=CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001605960348 1097287907 /nfs/dbraw/zinc/28/79/07/1097287907.db2.gz QZEQJSFDXHSJMR-BQYQJAHWSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccncc1C=CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001605960348 1097287910 /nfs/dbraw/zinc/28/79/10/1097287910.db2.gz QZEQJSFDXHSJMR-BQYQJAHWSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccsc1CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605968874 1097288452 /nfs/dbraw/zinc/28/84/52/1097288452.db2.gz UEWGDQBJULQHFP-NSHDSACASA-N -1 3 329.429 2.836 20 10 EFCDHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(Sc2nccs2)n1 ZINC001606295301 1097363315 /nfs/dbraw/zinc/36/33/15/1097363315.db2.gz YFPIUHOVSYNUMI-UHFFFAOYSA-N -1 3 330.320 2.888 20 10 EFCDHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(Sc2nccs2)n1 ZINC001606295301 1097363322 /nfs/dbraw/zinc/36/33/22/1097363322.db2.gz YFPIUHOVSYNUMI-UHFFFAOYSA-N -1 3 330.320 2.888 20 10 EFCDHM COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001606805963 1097458080 /nfs/dbraw/zinc/45/80/80/1097458080.db2.gz WJYJHAXUXFNMLM-XJKSGUPXSA-N -1 3 329.396 2.999 20 10 EFCDHM Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001607849512 1097753603 /nfs/dbraw/zinc/75/36/03/1097753603.db2.gz AWRSZYXGNZIIKA-BBRMVZONSA-N -1 3 329.396 2.653 20 10 EFCDHM COc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC001609357416 1098264591 /nfs/dbraw/zinc/26/45/91/1098264591.db2.gz BHINMVQUPKDRGN-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM COc1ccc(N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC001609357416 1098264597 /nfs/dbraw/zinc/26/45/97/1098264597.db2.gz BHINMVQUPKDRGN-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(O)c1O ZINC001609420207 1098305053 /nfs/dbraw/zinc/30/50/53/1098305053.db2.gz XUOQMSFHKDNINX-JTQLQIEISA-N -1 3 340.339 2.504 20 10 EFCDHM Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(O)c1O ZINC001609420207 1098305060 /nfs/dbraw/zinc/30/50/60/1098305060.db2.gz XUOQMSFHKDNINX-JTQLQIEISA-N -1 3 340.339 2.504 20 10 EFCDHM C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])NC(=O)OC(C)(C)C ZINC001609747709 1098445133 /nfs/dbraw/zinc/44/51/33/1098445133.db2.gz APSVAPDZJDDTQU-QWRGUYRKSA-N -1 3 338.404 2.654 20 10 EFCDHM C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779871 1098455102 /nfs/dbraw/zinc/45/51/02/1098455102.db2.gz QVZBDJYCEPRUTD-IINYFYTJSA-N -1 3 331.343 2.884 20 10 EFCDHM C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779173 1098455123 /nfs/dbraw/zinc/45/51/23/1098455123.db2.gz AVXDGTOJWMHDQF-LBPRGKRZSA-N -1 3 338.367 2.522 20 10 EFCDHM C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779875 1098455130 /nfs/dbraw/zinc/45/51/30/1098455130.db2.gz QVZBDJYCEPRUTD-QMTHXVAHSA-N -1 3 331.343 2.884 20 10 EFCDHM C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609786930 1098457797 /nfs/dbraw/zinc/45/77/97/1098457797.db2.gz RSLGFRRVCQKIBR-QWRGUYRKSA-N -1 3 338.404 2.654 20 10 EFCDHM CCCC[C@H](CC)CN1CCC12CN(C(=O)c1cc([O-])[nH]c(=O)c1)C2 ZINC001269919456 1098522428 /nfs/dbraw/zinc/52/24/28/1098522428.db2.gz RCDHMDGBULTDBS-AWEZNQCLSA-N -1 3 347.459 2.610 20 10 EFCDHM COc1ccc(OCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001610344696 1098630828 /nfs/dbraw/zinc/63/08/28/1098630828.db2.gz MKZRNXVZCKOSMA-GFCCVEGCSA-N -1 3 331.368 2.829 20 10 EFCDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610347415 1098631291 /nfs/dbraw/zinc/63/12/91/1098631291.db2.gz AUTGJFQQSNAACL-JTQLQIEISA-N -1 3 346.339 2.858 20 10 EFCDHM O=C([O-])[C@@H]1[C@H](CN(Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC001610731658 1098856609 /nfs/dbraw/zinc/85/66/09/1098856609.db2.gz PEJVOTNYWBDFLR-ZFWWWQNUSA-N -1 3 337.322 2.953 20 10 EFCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[C@]1(O)C(F)(F)F ZINC001142508974 1106038019 /nfs/dbraw/zinc/03/80/19/1106038019.db2.gz RKORSPDHWYYOPJ-AMIZOPFISA-N -1 3 325.277 2.806 20 10 EFCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001142509180 1106041481 /nfs/dbraw/zinc/04/14/81/1106041481.db2.gz ZQYYFUROJUHURL-OLZOCXBDSA-N -1 3 343.267 2.898 20 10 EFCDHM C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)CC[C@H]1O ZINC001233027404 1107545040 /nfs/dbraw/zinc/54/50/40/1107545040.db2.gz RELWULNISQTHFQ-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM COc1cc[n-]c(=NNC(=S)Nc2cccc(C(F)(F)F)c2)n1 ZINC000914704363 1111333788 /nfs/dbraw/zinc/33/37/88/1111333788.db2.gz JCYPIMJMLTXFMK-UHFFFAOYSA-N -1 3 343.334 2.818 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC[C@]1(C)O ZINC001235057327 1111606378 /nfs/dbraw/zinc/60/63/78/1111606378.db2.gz MBYGNBFKVYRCFM-OTYXRUKQSA-N -1 3 332.213 2.887 20 10 EFCDHM NC(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168522599 1112010110 /nfs/dbraw/zinc/01/01/10/1112010110.db2.gz GHYPHCYAOIWGTK-UHFFFAOYSA-N -1 3 328.759 2.700 20 10 EFCDHM Cc1cc([O-])c(CN2CC[C@@](C)(O)[C@@H](F)C2)cc1Br ZINC001237678109 1118790633 /nfs/dbraw/zinc/79/06/33/1118790633.db2.gz SPKGICJCQVAEIS-UONOGXRCSA-N -1 3 332.213 2.758 20 10 EFCDHM O=C1NCc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])nc21 ZINC001168528363 1120211288 /nfs/dbraw/zinc/21/12/88/1120211288.db2.gz UNGXJSNKTMIYFV-UHFFFAOYSA-N -1 3 340.770 2.844 20 10 EFCDHM C[C@H](c1ccsc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193164568 240088138 /nfs/dbraw/zinc/08/81/38/240088138.db2.gz NFZRCDMVUOJLJH-GFCCVEGCSA-N -1 3 332.425 2.678 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000193165359 240089258 /nfs/dbraw/zinc/08/92/58/240089258.db2.gz YMGGKEFOHBOROM-HNNXBMFYSA-N -1 3 333.771 2.965 20 10 EFCDHM C[C@@H](c1ccsc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193164557 240089287 /nfs/dbraw/zinc/08/92/87/240089287.db2.gz NFZRCDMVUOJLJH-LBPRGKRZSA-N -1 3 332.425 2.678 20 10 EFCDHM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(O)c1[O-] ZINC000193147153 240089444 /nfs/dbraw/zinc/08/94/44/240089444.db2.gz OSNAXMKWDNTKLZ-BBRMVZONSA-N -1 3 327.380 2.996 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000363997757 242290128 /nfs/dbraw/zinc/29/01/28/242290128.db2.gz UXIWYCSZQPVNIT-WHWRDJHUSA-N -1 3 337.391 2.502 20 10 EFCDHM CC(C)OCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363713146 242280207 /nfs/dbraw/zinc/28/02/07/242280207.db2.gz DMYVREZMABTQMK-HNNXBMFYSA-N -1 3 340.851 2.551 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000366565815 242356530 /nfs/dbraw/zinc/35/65/30/242356530.db2.gz GIJUMGSGQDJWHZ-XIKOKIGWSA-N -1 3 337.391 2.504 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@]1(CO)CCOc2ccccc21 ZINC000366899817 242368115 /nfs/dbraw/zinc/36/81/15/242368115.db2.gz HWRLUDWIJXGDNY-QGZVFWFLSA-N -1 3 337.778 2.945 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c([O-])c1O ZINC000364302720 242295937 /nfs/dbraw/zinc/29/59/37/242295937.db2.gz IIRZOKKSCHKUCQ-UHFFFAOYSA-N -1 3 327.340 2.636 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377972893 296253757 /nfs/dbraw/zinc/25/37/57/296253757.db2.gz NHEBVKBNGKDAFW-LJQANCHMSA-N -1 3 325.364 2.708 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000156043887 285384829 /nfs/dbraw/zinc/38/48/29/285384829.db2.gz DQELVHNEPWRYQL-UHFFFAOYSA-N -1 3 332.713 2.672 20 10 EFCDHM Cc1ccc(NC(=O)NC(=O)CN(C)Cc2ccccc2[O-])c(C)c1 ZINC000109770984 544566970 /nfs/dbraw/zinc/56/69/70/544566970.db2.gz ARNOIHCEMZNOEI-UHFFFAOYSA-N -1 3 341.411 2.789 20 10 EFCDHM [O-]c1cccc(Cl)c1CNC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000113337832 473385932 /nfs/dbraw/zinc/38/59/32/473385932.db2.gz ZBEMNLSDBGYKLV-SNVBAGLBSA-N -1 3 343.757 2.853 20 10 EFCDHM CCCNC(=O)CN(CC)Cc1cc(Br)ccc1[O-] ZINC000076118600 472277396 /nfs/dbraw/zinc/27/73/96/472277396.db2.gz GRUSCENFROTGDR-UHFFFAOYSA-N -1 3 329.238 2.503 20 10 EFCDHM COC(=O)c1ccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000070976715 472530445 /nfs/dbraw/zinc/53/04/45/472530445.db2.gz QDQLXPIXWNROFW-HNNXBMFYSA-N -1 3 345.395 2.953 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(C2CCOCC2)CC1 ZINC000129767872 472564276 /nfs/dbraw/zinc/56/42/76/472564276.db2.gz ZLTHDVSXBUIPTJ-UHFFFAOYSA-N -1 3 345.270 2.996 20 10 EFCDHM Cc1cccc(S(=O)(=O)CCCN(C)Cc2ccccc2[O-])c1 ZINC000155553712 472567144 /nfs/dbraw/zinc/56/71/44/472567144.db2.gz XNALMRBXUMXNHN-UHFFFAOYSA-N -1 3 333.453 2.996 20 10 EFCDHM O=C(c1cccc(O)c1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000130032741 472579876 /nfs/dbraw/zinc/57/98/76/472579876.db2.gz DJLBMLLUPYNHEA-UHFFFAOYSA-N -1 3 346.814 2.709 20 10 EFCDHM CCOCCO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000157686888 472847995 /nfs/dbraw/zinc/84/79/95/472847995.db2.gz WLNGKHJEXJXAJI-HNNXBMFYSA-N -1 3 341.835 2.876 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000079432780 472862407 /nfs/dbraw/zinc/86/24/07/472862407.db2.gz KLVKGBRKFGSJLP-OCCSQVGLSA-N -1 3 335.297 2.622 20 10 EFCDHM CCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158038713 472886377 /nfs/dbraw/zinc/88/63/77/472886377.db2.gz JLLISBMWBXKGOZ-SWLSCSKDSA-N -1 3 340.851 2.551 20 10 EFCDHM COCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134263559 472889845 /nfs/dbraw/zinc/88/98/45/472889845.db2.gz DKOSFPMYZXFYPI-OAHLLOKOSA-N -1 3 340.851 2.553 20 10 EFCDHM CS[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158084062 472890904 /nfs/dbraw/zinc/89/09/04/472890904.db2.gz GPYIDBBEVIEBAJ-SMDDNHRTSA-N -1 3 342.892 2.878 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(C)[C@H]2CCCc3c2cnn3C)c1[O-] ZINC000135584897 473097247 /nfs/dbraw/zinc/09/72/47/473097247.db2.gz PTMMNXBYEJJTEK-INIZCTEOSA-N -1 3 331.391 2.977 20 10 EFCDHM CCCOc1ccc(CN(CC)[C@H](C)CS(=O)(=O)CC)c([O-])c1 ZINC000093414148 473104071 /nfs/dbraw/zinc/10/40/71/473104071.db2.gz CSOPLLPZGLYMCH-CQSZACIVSA-N -1 3 343.489 2.826 20 10 EFCDHM CCN(CCS(C)(=O)=O)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093816005 473148537 /nfs/dbraw/zinc/14/85/37/473148537.db2.gz LGAPYDJIHPSDNF-UHFFFAOYSA-N -1 3 333.453 2.926 20 10 EFCDHM [O-]c1ccccc1CN(Cc1cn2cccnc2n1)C[C@H]1CCCO1 ZINC000111233007 473197967 /nfs/dbraw/zinc/19/79/67/473197967.db2.gz ZNEBVHNNGUTAGP-QGZVFWFLSA-N -1 3 338.411 2.616 20 10 EFCDHM CCCCc1nnc(NC(=O)CN(C)Cc2ccccc2[O-])s1 ZINC000137278157 473201443 /nfs/dbraw/zinc/20/14/43/473201443.db2.gz FDJJAEKTNLEXFV-UHFFFAOYSA-N -1 3 334.445 2.657 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000191173993 473497232 /nfs/dbraw/zinc/49/72/32/473497232.db2.gz UDRFVCYFQAFDQJ-MRXNPFEDSA-N -1 3 349.431 2.758 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000185748546 473504021 /nfs/dbraw/zinc/50/40/21/473504021.db2.gz PIPDZSAGHNIDCN-OAHLLOKOSA-N -1 3 327.380 2.777 20 10 EFCDHM COC(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000179151299 473639941 /nfs/dbraw/zinc/63/99/41/473639941.db2.gz UNDWBNWIXQGZAT-CYBMUJFWSA-N -1 3 325.792 2.776 20 10 EFCDHM COc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1-n1nnnc1C ZINC000186437485 473673967 /nfs/dbraw/zinc/67/39/67/473673967.db2.gz HNBSGYQPVNRAAR-JTQLQIEISA-N -1 3 343.362 2.997 20 10 EFCDHM COc1ccc(N[C@@H](C)c2cc(F)ccc2[O-])cc1-n1nnnc1C ZINC000186437736 473674014 /nfs/dbraw/zinc/67/40/14/473674014.db2.gz CXVCWPBLCYOUFW-JTQLQIEISA-N -1 3 343.362 2.997 20 10 EFCDHM COc1ccncc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000287649872 473724427 /nfs/dbraw/zinc/72/44/27/473724427.db2.gz GPARDQIPWKEJPV-QGZVFWFLSA-N -1 3 328.412 2.977 20 10 EFCDHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(O)c1[O-] ZINC000186764400 473752190 /nfs/dbraw/zinc/75/21/90/473752190.db2.gz RUIPAZZHZPWNSH-ZDUSSCGKSA-N -1 3 332.425 2.726 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000186820112 473762220 /nfs/dbraw/zinc/76/22/20/473762220.db2.gz YWTDYNADRCCQFK-UHFFFAOYSA-N -1 3 344.386 2.585 20 10 EFCDHM O=C(Nc1nc(CN2CCCCC2)cs1)c1cccc(O)c1[O-] ZINC000186838631 473766479 /nfs/dbraw/zinc/76/64/79/473766479.db2.gz GCBKYHDCGZTBIV-UHFFFAOYSA-N -1 3 333.413 2.793 20 10 EFCDHM O=C(Cc1ccccc1F)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179997313 473772436 /nfs/dbraw/zinc/77/24/36/473772436.db2.gz BUCSGAPMVQCYHT-UHFFFAOYSA-N -1 3 346.377 2.557 20 10 EFCDHM CC(C)(C)OC(=O)[C@]12CCC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000281586375 473774590 /nfs/dbraw/zinc/77/45/90/473774590.db2.gz MKVCIFCRLQKMHX-BUXKBTBVSA-N -1 3 347.411 2.682 20 10 EFCDHM CC[C@H](NCCS(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287849471 473777154 /nfs/dbraw/zinc/77/71/54/473777154.db2.gz WSNFSRZSECQBBK-NSHDSACASA-N -1 3 326.245 2.784 20 10 EFCDHM Cc1ccc([C@H](CNC(=O)c2cccc(O)c2[O-])N2CCCC2)o1 ZINC000187060169 473810083 /nfs/dbraw/zinc/81/00/83/473810083.db2.gz JMYUAVVOYPOWSJ-AWEZNQCLSA-N -1 3 330.384 2.566 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000187080468 473813179 /nfs/dbraw/zinc/81/31/79/473813179.db2.gz WOVGQWBOJLGZBM-QGZVFWFLSA-N -1 3 345.370 2.823 20 10 EFCDHM O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cccc(O)c1[O-] ZINC000187096851 473816441 /nfs/dbraw/zinc/81/64/41/473816441.db2.gz JDAPKHRMWZQMRM-UHFFFAOYSA-N -1 3 345.742 2.731 20 10 EFCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000187098496 473817486 /nfs/dbraw/zinc/81/74/86/473817486.db2.gz PEUBVDXYMDJBHE-HNNXBMFYSA-N -1 3 326.396 2.839 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180278709 473846168 /nfs/dbraw/zinc/84/61/68/473846168.db2.gz NPVNMGSXHHKXLE-MJGOQNOKSA-N -1 3 331.387 2.856 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c([O-])c1O ZINC000282164353 473966540 /nfs/dbraw/zinc/96/65/40/473966540.db2.gz QYRJKCBGGGUCEJ-KSYCFECVSA-N -1 3 333.428 2.808 20 10 EFCDHM C[C@@H]1CCCN(c2ccc(CNC(=O)c3c[n-]nn3)cc2Cl)C1 ZINC000282255988 473999150 /nfs/dbraw/zinc/99/91/50/473999150.db2.gz ORNRUPQMKGURTR-LLVKDONJSA-N -1 3 333.823 2.624 20 10 EFCDHM C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnn[n-]3)cc2Cl)C1 ZINC000282255988 473999158 /nfs/dbraw/zinc/99/91/58/473999158.db2.gz ORNRUPQMKGURTR-LLVKDONJSA-N -1 3 333.823 2.624 20 10 EFCDHM C[C@@H]1CCCN(c2ccc(CNC(=O)c3cn[n-]n3)cc2Cl)C1 ZINC000282255988 473999167 /nfs/dbraw/zinc/99/91/67/473999167.db2.gz ORNRUPQMKGURTR-LLVKDONJSA-N -1 3 333.823 2.624 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H]1CC=CCC1 ZINC000181588898 474050631 /nfs/dbraw/zinc/05/06/31/474050631.db2.gz LDJFQHXZJLBQRM-LBPRGKRZSA-N -1 3 337.803 2.904 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)c([O-])c1O ZINC000181778779 474063221 /nfs/dbraw/zinc/06/32/21/474063221.db2.gz MFJSBZMJOVVUDW-UHFFFAOYSA-N -1 3 326.396 2.677 20 10 EFCDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1O ZINC000182548454 474203326 /nfs/dbraw/zinc/20/33/26/474203326.db2.gz FHLXIFMVFGGCME-FNODVLLQSA-N -1 3 347.436 2.977 20 10 EFCDHM C[C@@H](NCc1cc(Br)ccc1[O-])C(=O)NC(C)(C)C ZINC000227441655 474245541 /nfs/dbraw/zinc/24/55/41/474245541.db2.gz OOXXMGJTQKBGIR-SECBINFHSA-N -1 3 329.238 2.548 20 10 EFCDHM CC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](O)C(F)(F)F ZINC000270996982 474360226 /nfs/dbraw/zinc/36/02/26/474360226.db2.gz PKWFHXJBJLZSJI-GZMMTYOYSA-N -1 3 342.701 2.745 20 10 EFCDHM CC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](O)C(F)(F)F ZINC000270996986 474360586 /nfs/dbraw/zinc/36/05/86/474360586.db2.gz PKWFHXJBJLZSJI-KWQFWETISA-N -1 3 342.701 2.745 20 10 EFCDHM CN(Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000271033264 474377642 /nfs/dbraw/zinc/37/76/42/474377642.db2.gz ZPGWUYHXKCSRGU-KRWDZBQOSA-N -1 3 331.437 2.678 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@H](C)[S@]1=O ZINC000289706570 474387081 /nfs/dbraw/zinc/38/70/81/474387081.db2.gz OUOCVIZEYYASLO-BHIGOGECSA-N -1 3 331.865 2.786 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)[S@@]1=O ZINC000289765471 474416266 /nfs/dbraw/zinc/41/62/66/474416266.db2.gz RBYWHRQUUFGMCJ-FTNGCUSPSA-N -1 3 346.290 2.886 20 10 EFCDHM COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1[O-] ZINC000276154699 474434012 /nfs/dbraw/zinc/43/40/12/474434012.db2.gz PNAYDNSSCAWRCT-UHFFFAOYSA-N -1 3 326.396 2.931 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn(C)c1 ZINC000266571255 474437477 /nfs/dbraw/zinc/43/74/77/474437477.db2.gz XQPMKPLCNKCQGY-UHFFFAOYSA-N -1 3 338.205 2.551 20 10 EFCDHM CN(Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2[O-])CC1 ZINC000271250089 474457946 /nfs/dbraw/zinc/45/79/46/474457946.db2.gz DWWFMSOUNSALQZ-UHFFFAOYSA-N -1 3 339.439 2.762 20 10 EFCDHM Cc1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)c([O-])c1O ZINC000184158063 474480122 /nfs/dbraw/zinc/48/01/22/474480122.db2.gz IZCNVLABLDIIGR-LLVKDONJSA-N -1 3 336.438 2.793 20 10 EFCDHM Cc1cc(Br)cc(CN2CCC[C@]23CCOC3=O)c1[O-] ZINC000190038661 474541082 /nfs/dbraw/zinc/54/10/82/474541082.db2.gz XXRQNSIKKNZABD-OAHLLOKOSA-N -1 3 340.217 2.745 20 10 EFCDHM COc1cncc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000290067660 474546430 /nfs/dbraw/zinc/54/64/30/474546430.db2.gz VWQVLCPZOFSHBJ-KRWDZBQOSA-N -1 3 328.412 2.977 20 10 EFCDHM C[C@@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1ncnn1C ZINC000276472259 474555235 /nfs/dbraw/zinc/55/52/35/474555235.db2.gz BLNBEWYXDIYDSN-DTWKUNHWSA-N -1 3 325.210 2.695 20 10 EFCDHM CN(C)C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000290117741 474557986 /nfs/dbraw/zinc/55/79/86/474557986.db2.gz LVTIQEOMRLEZLH-MRXNPFEDSA-N -1 3 333.363 2.832 20 10 EFCDHM Cc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])N(C)C)cc1 ZINC000276664313 474568742 /nfs/dbraw/zinc/56/87/42/474568742.db2.gz YLEUZBDISLAGGS-CQSZACIVSA-N -1 3 332.375 2.578 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC(NC(=O)C3CC3)CC2)c1[O-] ZINC000184677199 474580343 /nfs/dbraw/zinc/58/03/43/474580343.db2.gz GHMVCGXFYIBTEV-UHFFFAOYSA-N -1 3 338.835 2.545 20 10 EFCDHM COc1cc(Cl)cc(CN2CCN(C(=O)C(C)(C)C)CC2)c1[O-] ZINC000184678252 474581765 /nfs/dbraw/zinc/58/17/65/474581765.db2.gz VYTNCWXNSJZHMW-UHFFFAOYSA-N -1 3 340.851 2.745 20 10 EFCDHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)CCO3)c1 ZINC000277482706 474587594 /nfs/dbraw/zinc/58/75/94/474587594.db2.gz WTLBHOAZVOMQOL-KRWDZBQOSA-N -1 3 327.380 2.936 20 10 EFCDHM CSC[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277531151 474588299 /nfs/dbraw/zinc/58/82/99/474588299.db2.gz XOXCZFMYKKALLO-SECBINFHSA-N -1 3 328.821 2.561 20 10 EFCDHM Cc1noc(C)c1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277786559 474595036 /nfs/dbraw/zinc/59/50/36/474595036.db2.gz LANGWUATIMZKDK-UHFFFAOYSA-N -1 3 349.774 2.615 20 10 EFCDHM COc1c([O-])c(CN2CCS[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219070 474603915 /nfs/dbraw/zinc/60/39/15/474603915.db2.gz LIMWWOANMPKVDT-CYBMUJFWSA-N -1 3 326.418 2.882 20 10 EFCDHM COc1c([O-])c(CN(C)Cc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000278207385 474604298 /nfs/dbraw/zinc/60/42/98/474604298.db2.gz JSEGFXUHPODVFI-UHFFFAOYSA-N -1 3 346.339 2.670 20 10 EFCDHM CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000278248002 474605463 /nfs/dbraw/zinc/60/54/63/474605463.db2.gz WXNCWKVBZLSEKI-GOSISDBHSA-N -1 3 335.400 2.744 20 10 EFCDHM COc1c([O-])c(CNc2cc3c(cc2C)OCO3)ccc1[N+](=O)[O-] ZINC000278487263 474658195 /nfs/dbraw/zinc/65/81/95/474658195.db2.gz KOUDNNFFEMLSBE-UHFFFAOYSA-N -1 3 332.312 2.958 20 10 EFCDHM CCCc1nc(C)c(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000292823108 474660874 /nfs/dbraw/zinc/66/08/74/474660874.db2.gz QFHPYYISNRZITQ-UHFFFAOYSA-N -1 3 335.360 2.848 20 10 EFCDHM CC(=O)NCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000267411518 474668079 /nfs/dbraw/zinc/66/80/79/474668079.db2.gz UEWSMUIMCWZBQJ-UHFFFAOYSA-N -1 3 338.835 2.596 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3ccco3)CC2)c1[O-] ZINC000267457641 474669758 /nfs/dbraw/zinc/66/97/58/474669758.db2.gz QDRJSBPAKLWOGB-UHFFFAOYSA-N -1 3 332.375 2.645 20 10 EFCDHM COc1c([O-])c(CN(CCO)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278525644 474680127 /nfs/dbraw/zinc/68/01/27/474680127.db2.gz TVBXYDIJBVDIKD-UHFFFAOYSA-N -1 3 346.383 2.612 20 10 EFCDHM CCOC(=O)[C@H](NCc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000278526917 474682648 /nfs/dbraw/zinc/68/26/48/474682648.db2.gz UAGLGLDVGJUEIO-QGZVFWFLSA-N -1 3 329.352 2.515 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC1CC(F)(F)C1 ZINC000291919814 474752547 /nfs/dbraw/zinc/75/25/47/474752547.db2.gz BASLIUXKUKULCI-UHFFFAOYSA-N -1 3 344.745 2.855 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn3ccsc3n2)c1 ZINC000273380822 474870097 /nfs/dbraw/zinc/87/00/97/474870097.db2.gz IDNQJNXXGOBRFS-JTQLQIEISA-N -1 3 331.397 2.739 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn3ccsc3n2)c1 ZINC000273380824 474870663 /nfs/dbraw/zinc/87/06/63/474870663.db2.gz IDNQJNXXGOBRFS-SNVBAGLBSA-N -1 3 331.397 2.739 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc3c(c2)OCCO3)c1 ZINC000273446006 474901520 /nfs/dbraw/zinc/90/15/20/474901520.db2.gz ZVFCJMOWFLQGJZ-GFCCVEGCSA-N -1 3 343.379 2.801 20 10 EFCDHM COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278933107 474925729 /nfs/dbraw/zinc/92/57/29/474925729.db2.gz WRZNDDKHGVGDKA-UHFFFAOYSA-N -1 3 348.355 2.616 20 10 EFCDHM Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)c([O-])c1O ZINC000293367537 474948372 /nfs/dbraw/zinc/94/83/72/474948372.db2.gz YWASGWGZXMQFEX-CYBMUJFWSA-N -1 3 344.386 2.802 20 10 EFCDHM CCCOc1ccc(CN(C)Cc2ncnn2CC(F)F)c([O-])c1 ZINC000279011533 474955989 /nfs/dbraw/zinc/95/59/89/474955989.db2.gz LQURBRZHLZIAKP-UHFFFAOYSA-N -1 3 340.374 2.670 20 10 EFCDHM CN(Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCN(C)C1=O ZINC000273547583 474957559 /nfs/dbraw/zinc/95/75/59/474957559.db2.gz URIMCIHRJADJAD-GOSISDBHSA-N -1 3 340.423 2.634 20 10 EFCDHM C[C@H]1OCC[C@]12CN(Cc1cc(Br)ccc1[O-])CCO2 ZINC000279609901 474981723 /nfs/dbraw/zinc/98/17/23/474981723.db2.gz FMANCIPILGRYCY-ABAIWWIYSA-N -1 3 342.233 2.535 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](OC)C1CC1 ZINC000280361506 475021510 /nfs/dbraw/zinc/02/15/10/475021510.db2.gz LHUVDKKLWRKSHX-AWEZNQCLSA-N -1 3 342.233 2.928 20 10 EFCDHM CCS(=O)(=O)c1ccc(CNCc2cc(F)ccc2[O-])s1 ZINC000280509886 475028998 /nfs/dbraw/zinc/02/89/98/475028998.db2.gz GTVPTFSFWCJMIT-UHFFFAOYSA-N -1 3 329.418 2.676 20 10 EFCDHM CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(F)ccc2[O-])cc1 ZINC000280848221 475052512 /nfs/dbraw/zinc/05/25/12/475052512.db2.gz ZHHLCEXYIOTTAB-HNNXBMFYSA-N -1 3 332.375 2.644 20 10 EFCDHM CC[C@@H](NCC(=O)NCc1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000286114427 475052615 /nfs/dbraw/zinc/05/26/15/475052615.db2.gz NVBBAIYLHWGNOS-QGZVFWFLSA-N -1 3 346.402 2.897 20 10 EFCDHM COC(=O)[C@@H](C)N(C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000281024492 475064227 /nfs/dbraw/zinc/06/42/27/475064227.db2.gz ZRKXSYIQVJBNOW-CQSZACIVSA-N -1 3 329.396 2.965 20 10 EFCDHM CCOC(=O)[C@]1(COC)CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000281145250 475090339 /nfs/dbraw/zinc/09/03/39/475090339.db2.gz FDBMRVHAZFPIIL-QGZVFWFLSA-N -1 3 341.835 2.837 20 10 EFCDHM CC/C(C)=C/C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000295070589 475101689 /nfs/dbraw/zinc/10/16/89/475101689.db2.gz ZVRCWIUSCSZBFS-YRNVUSSQSA-N -1 3 325.792 2.904 20 10 EFCDHM CCN=c1[n-]c(C(=O)NCc2c(C)c3ccccc3n2C)cs1 ZINC000352949055 475671383 /nfs/dbraw/zinc/67/13/83/475671383.db2.gz UAIPTPZKRCKZTM-UHFFFAOYSA-N -1 3 328.441 2.727 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000373116840 476378260 /nfs/dbraw/zinc/37/82/60/476378260.db2.gz ZPLDKVIZSLYZDU-CYBMUJFWSA-N -1 3 331.391 2.847 20 10 EFCDHM C[C@H]1CN(C2CCOCC2)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000369639845 476452784 /nfs/dbraw/zinc/45/27/84/476452784.db2.gz OBLDYTPNADKUFY-LBPRGKRZSA-N -1 3 342.842 2.870 20 10 EFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C12CCCN1CCC2 ZINC000365611593 476646344 /nfs/dbraw/zinc/64/63/44/476646344.db2.gz WFGHOHKAPJUYFX-UHFFFAOYSA-N -1 3 329.227 2.944 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CCCc2c1cnn2CCO ZINC000370455170 476817398 /nfs/dbraw/zinc/81/73/98/476817398.db2.gz NQEYNDBDUXWMPG-CYBMUJFWSA-N -1 3 339.798 2.541 20 10 EFCDHM CCS[C@H](C)c1noc(CN(C)C(=O)c2cccc(O)c2[O-])n1 ZINC000408515126 476958110 /nfs/dbraw/zinc/95/81/10/476958110.db2.gz RKWDIULAUQOVQV-SECBINFHSA-N -1 3 337.401 2.567 20 10 EFCDHM COC(=O)C[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])c2ccccc21 ZINC000371582406 477397165 /nfs/dbraw/zinc/39/71/65/477397165.db2.gz JVYIJNKNQOREOE-GFCCVEGCSA-N -1 3 341.363 2.713 20 10 EFCDHM Cc1c2ccccc2n(C)c1CNC(=O)N=c1cc2ccccn2[n-]1 ZINC000558465184 477874723 /nfs/dbraw/zinc/87/47/23/477874723.db2.gz ZEKWSKCPMGYOTP-UHFFFAOYSA-N -1 3 333.395 2.878 20 10 EFCDHM COc1ccc([C@@H](NC(=O)c2ccc(C)c(O)c2[O-])C2CC2)cn1 ZINC000530254273 477880197 /nfs/dbraw/zinc/88/01/97/477880197.db2.gz XYECMNQUZZDXTR-HNNXBMFYSA-N -1 3 328.368 2.691 20 10 EFCDHM CC[C@H](NC(c1nccn1C)c1nccn1C)c1ccccc1[O-] ZINC000527943461 478579631 /nfs/dbraw/zinc/57/96/31/478579631.db2.gz DOCPPUMODOSZIX-AWEZNQCLSA-N -1 3 325.416 2.690 20 10 EFCDHM COc1ccc(CNCc2csc(-c3cnn(C)c3)n2)c([O-])c1 ZINC000529554494 479204619 /nfs/dbraw/zinc/20/46/19/479204619.db2.gz BWQOYIPCWLWYSG-UHFFFAOYSA-N -1 3 330.413 2.548 20 10 EFCDHM CCOC[C@H]1CN(Cc2cc(Br)cc(C)c2[O-])CCO1 ZINC000529667181 479239895 /nfs/dbraw/zinc/23/98/95/479239895.db2.gz RWWBLRLSGZTHRF-CQSZACIVSA-N -1 3 344.249 2.700 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000298077674 526771344 /nfs/dbraw/zinc/77/13/44/526771344.db2.gz JHORVWCUFIJJQN-FZMZJTMJSA-N -1 3 333.409 2.888 20 10 EFCDHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000177677531 528895444 /nfs/dbraw/zinc/89/54/44/528895444.db2.gz OOXBQMDWJUBMOG-ZIAGYGMSSA-N -1 3 348.443 2.563 20 10 EFCDHM CCc1nnc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)o1 ZINC000193110499 535838766 /nfs/dbraw/zinc/83/87/66/535838766.db2.gz TTZFEJHJZCQJJS-UHFFFAOYSA-N -1 3 325.324 2.963 20 10 EFCDHM COc1ccc(N2CCCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC000192549517 536672688 /nfs/dbraw/zinc/67/26/88/536672688.db2.gz HJSJCFUCOANLEN-OAHLLOKOSA-N -1 3 342.443 2.773 20 10 EFCDHM COc1cc(OC)cc(OCCCNC(=O)c2cc([O-])cs2)c1 ZINC000754030422 575378406 /nfs/dbraw/zinc/37/84/06/575378406.db2.gz SWFSVKPAYGQVJQ-UHFFFAOYSA-N -1 3 337.397 2.670 20 10 EFCDHM COCC(C)(C)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000756081414 575680940 /nfs/dbraw/zinc/68/09/40/575680940.db2.gz XHVMTAJHRXVYKZ-UHFFFAOYSA-N -1 3 329.824 2.693 20 10 EFCDHM CC(C)NC(=O)CN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756364098 575723788 /nfs/dbraw/zinc/72/37/88/575723788.db2.gz UGHDVRARPYMUQV-QMMMGPOBSA-N -1 3 349.656 2.983 20 10 EFCDHM C[C@@H](N[C@@H]1CCCCNC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756396340 575730377 /nfs/dbraw/zinc/73/03/77/575730377.db2.gz MRTXQXYIURFDNO-PRHODGIISA-N -1 3 345.212 2.613 20 10 EFCDHM O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cc([O-])cs1 ZINC000756410402 575733262 /nfs/dbraw/zinc/73/32/62/575733262.db2.gz LGNHOPAJDLPIKL-LLVKDONJSA-N -1 3 339.319 2.694 20 10 EFCDHM C[C@H](NCc1cnn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756449100 575741506 /nfs/dbraw/zinc/74/15/06/575741506.db2.gz IIMHGLDRDMCASQ-QMMMGPOBSA-N -1 3 328.185 2.878 20 10 EFCDHM C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc(F)cc(F)c1[O-] ZINC000756460591 575743049 /nfs/dbraw/zinc/74/30/49/575743049.db2.gz SFSZVHSIIBNPJK-ZUZCIYMTSA-N -1 3 337.370 2.587 20 10 EFCDHM C[C@H](NCc1cnn(CC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756657190 575773545 /nfs/dbraw/zinc/77/35/45/575773545.db2.gz AXKMTVCRJDTLFS-VIFPVBQESA-N -1 3 344.293 2.910 20 10 EFCDHM C[C@H](NCC(=O)NC1CCCC1)c1ccc(Br)cc1[O-] ZINC000756704051 575779115 /nfs/dbraw/zinc/77/91/15/575779115.db2.gz DWYRJHKJIGMHRP-JTQLQIEISA-N -1 3 341.249 2.864 20 10 EFCDHM C[C@@H](N[C@H](C)c1cc(Br)cc(Cl)c1[O-])C(=O)N(C)C ZINC000756739956 575782915 /nfs/dbraw/zinc/78/29/15/575782915.db2.gz UKLJTKGYZWCCTB-HTQZYQBOSA-N -1 3 349.656 2.935 20 10 EFCDHM CCc1nn(C)c(CC)c1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756770476 575785518 /nfs/dbraw/zinc/78/55/18/575785518.db2.gz XRBFWPWJRFXCPB-GFCCVEGCSA-N -1 3 345.443 2.888 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(CC(F)F)c2)c1 ZINC000756844898 575791428 /nfs/dbraw/zinc/79/14/28/575791428.db2.gz MTHKDVMRVNNWHS-SECBINFHSA-N -1 3 325.315 2.814 20 10 EFCDHM COc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1-n1cnnn1 ZINC000757614588 575845353 /nfs/dbraw/zinc/84/53/53/575845353.db2.gz VMYHZVFZOMDQRX-JTQLQIEISA-N -1 3 329.335 2.689 20 10 EFCDHM C[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Cl)ccc1[O-] ZINC000757638724 575846702 /nfs/dbraw/zinc/84/67/02/575846702.db2.gz RDJPZPBOCHXDKD-JTQLQIEISA-N -1 3 334.807 2.694 20 10 EFCDHM Cc1noc(C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)n1 ZINC000760760482 576071421 /nfs/dbraw/zinc/07/14/21/576071421.db2.gz MJXNUZNRUGHFND-AWEZNQCLSA-N -1 3 339.351 2.503 20 10 EFCDHM O=S1(=O)CC[C@@H](CCN(Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000760856756 576081608 /nfs/dbraw/zinc/08/16/08/576081608.db2.gz MNZMKVPISCWQLY-OAHLLOKOSA-N -1 3 349.452 2.812 20 10 EFCDHM C[C@@H](c1ccccn1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000760946531 576091559 /nfs/dbraw/zinc/09/15/59/576091559.db2.gz ABLMGVWJQXXUSJ-NSHDSACASA-N -1 3 345.786 2.966 20 10 EFCDHM CN(C)C(=O)N1CCN(Cc2cc(Cl)ccc2[O-])C(C)(C)C1 ZINC000761226945 576133193 /nfs/dbraw/zinc/13/31/93/576133193.db2.gz XWMSDSWIZXTZJH-UHFFFAOYSA-N -1 3 325.840 2.623 20 10 EFCDHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc([O-])cs1 ZINC000762374897 576295930 /nfs/dbraw/zinc/29/59/30/576295930.db2.gz YYWHSKFVVOEPEZ-GFCCVEGCSA-N -1 3 334.372 2.518 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000764157612 576437350 /nfs/dbraw/zinc/43/73/50/576437350.db2.gz QSCPLCPVEQQEIC-SNVBAGLBSA-N -1 3 347.367 2.615 20 10 EFCDHM O=C1N[C@@H](c2cc(-c3ccccc3)ccc2[O-])N2CCSC[C@@H]12 ZINC000765513587 577049603 /nfs/dbraw/zinc/04/96/03/577049603.db2.gz DFCFBSJDOLXNBR-DOTOQJQBSA-N -1 3 326.421 2.605 20 10 EFCDHM CCOc1ccc(CN2CCN(c3ccccc3)C(=O)C2)c([O-])c1 ZINC000765713527 577070085 /nfs/dbraw/zinc/07/00/85/577070085.db2.gz SJRVSKJSIBUKAO-UHFFFAOYSA-N -1 3 326.396 2.640 20 10 EFCDHM COc1cc(Br)cc(CN2CCC(OC)CC2)c1[O-] ZINC000768215827 577261305 /nfs/dbraw/zinc/26/13/05/577261305.db2.gz MWMIPINAINMFEJ-UHFFFAOYSA-N -1 3 330.222 2.774 20 10 EFCDHM O=C(N1CCCCC1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768225059 577261434 /nfs/dbraw/zinc/26/14/34/577261434.db2.gz CCLXSZPZRXZOLL-UHFFFAOYSA-N -1 3 337.851 2.769 20 10 EFCDHM CCOc1ccc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c([O-])c1 ZINC000768249680 577262906 /nfs/dbraw/zinc/26/29/06/577262906.db2.gz ZOOOJOIVTLXRDJ-QGZVFWFLSA-N -1 3 344.411 2.665 20 10 EFCDHM O=C(Cc1ccccc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768249618 577262998 /nfs/dbraw/zinc/26/29/98/577262998.db2.gz WHKVKECNXKTPDS-UHFFFAOYSA-N -1 3 344.842 2.933 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(CCc2cccs2)CC1 ZINC000768357558 577268187 /nfs/dbraw/zinc/26/81/87/577268187.db2.gz NPNFQOSODKMTOF-UHFFFAOYSA-N -1 3 332.469 2.823 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@H](c3ccccc3F)C1)[C@@H](O)CO2 ZINC000768449291 577274720 /nfs/dbraw/zinc/27/47/20/577274720.db2.gz FZNDDGIDZUJWSR-HKUYNNGSSA-N -1 3 345.370 2.531 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@@H](c3ccccc3F)C1)[C@@H](O)CO2 ZINC000768449312 577274824 /nfs/dbraw/zinc/27/48/24/577274824.db2.gz FZNDDGIDZUJWSR-PKOBYXMFSA-N -1 3 345.370 2.531 20 10 EFCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H](c2ccccc2)CO1 ZINC000768467107 577276489 /nfs/dbraw/zinc/27/64/89/577276489.db2.gz YUCZAYBEBFGTKF-XVGQJIODSA-N -1 3 341.407 2.780 20 10 EFCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H](c2ccccc2)CO1 ZINC000768467106 577276516 /nfs/dbraw/zinc/27/65/16/577276516.db2.gz YUCZAYBEBFGTKF-OMWUSAIZSA-N -1 3 341.407 2.780 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC(O)(C(F)(F)F)CC2)c1[O-] ZINC000768518418 577279913 /nfs/dbraw/zinc/27/99/13/577279913.db2.gz FITYKTZRQDBUDS-UHFFFAOYSA-N -1 3 339.741 2.943 20 10 EFCDHM COc1cccc([O-])c1CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000768523137 577280301 /nfs/dbraw/zinc/28/03/01/577280301.db2.gz CAAVEHGOAOUSTQ-UHFFFAOYSA-N -1 3 340.423 2.749 20 10 EFCDHM CCc1nc(CN2CCN(Cc3c([O-])cccc3OC)CC2)cs1 ZINC000769111369 577335427 /nfs/dbraw/zinc/33/54/27/577335427.db2.gz NGYJMXJZXMTGIB-UHFFFAOYSA-N -1 3 347.484 2.738 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1=COCC1 ZINC000769289349 577349378 /nfs/dbraw/zinc/34/93/78/577349378.db2.gz FQOICYUEYURJTP-UHFFFAOYSA-N -1 3 326.190 2.807 20 10 EFCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@H]2CCCC[C@H]21 ZINC000769415867 577360986 /nfs/dbraw/zinc/36/09/86/577360986.db2.gz ZZDDRBVVWHHTKA-DZGCQCFKSA-N -1 3 329.849 2.587 20 10 EFCDHM CCC1(O)CCN(Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000769485747 577366391 /nfs/dbraw/zinc/36/63/91/577366391.db2.gz OUJMEFRRUFPBHD-UHFFFAOYSA-N -1 3 344.249 2.900 20 10 EFCDHM CCOc1ccc(CN2CCN([C@H](C)C(F)(F)F)CC2)c([O-])c1 ZINC000769554320 577372151 /nfs/dbraw/zinc/37/21/51/577372151.db2.gz NORZLSMBYZGCLM-GFCCVEGCSA-N -1 3 332.366 2.859 20 10 EFCDHM COC(=O)C[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(F)cc1 ZINC000770486987 577421154 /nfs/dbraw/zinc/42/11/54/577421154.db2.gz MHJJEAGQZSDURW-CQSZACIVSA-N -1 3 347.342 2.580 20 10 EFCDHM O=C(OCc1ccccc1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000770509705 581104567 /nfs/dbraw/zinc/10/45/67/581104567.db2.gz ROVSEIKENVCZHE-UHFFFAOYSA-N -1 3 326.396 2.847 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])c1nccn2cnnc12 ZINC000771243844 581192331 /nfs/dbraw/zinc/19/23/31/581192331.db2.gz NWNMOJBKEAXMHC-UHFFFAOYSA-N -1 3 348.204 2.619 20 10 EFCDHM COC(=O)COc1ccc(NC(=O)c2cc([O-])cs2)cc1Cl ZINC000771660874 581231122 /nfs/dbraw/zinc/23/11/22/581231122.db2.gz WROOHSCCWKLESK-UHFFFAOYSA-N -1 3 341.772 2.911 20 10 EFCDHM CCc1cc(=O)[n-]c(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000771790544 581242038 /nfs/dbraw/zinc/24/20/38/581242038.db2.gz DHBNYZJQXANWFR-UHFFFAOYSA-N -1 3 326.444 2.975 20 10 EFCDHM COc1c([O-])c([C@@H]2NC(=O)c3c(Cl)cccc3N2)ccc1[N+](=O)[O-] ZINC000772179465 581293030 /nfs/dbraw/zinc/29/30/30/581293030.db2.gz SKJHABCFQAZDSX-AWEZNQCLSA-N -1 3 349.730 2.817 20 10 EFCDHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cs1 ZINC000772584638 581343818 /nfs/dbraw/zinc/34/38/18/581343818.db2.gz YQPINGQAUGCHAB-WDEREUQCSA-N -1 3 340.445 2.972 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@@H]2c2cc(C)no2)ccc1[N+](=O)[O-] ZINC000774839189 581501963 /nfs/dbraw/zinc/50/19/63/581501963.db2.gz BQGSOUWBAAVJAQ-GFCCVEGCSA-N -1 3 333.344 2.943 20 10 EFCDHM CNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000774913310 581504052 /nfs/dbraw/zinc/50/40/52/581504052.db2.gz HVGSXTJUZDGBAG-UHFFFAOYSA-N -1 3 345.355 2.589 20 10 EFCDHM COc1c([O-])c(CNCc2cccnc2OC(C)C)ccc1[N+](=O)[O-] ZINC000774943220 581504829 /nfs/dbraw/zinc/50/48/29/581504829.db2.gz YEOWQTMVDUBGAC-UHFFFAOYSA-N -1 3 347.371 2.781 20 10 EFCDHM COc1ccc(O)c([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737106481 598941327 /nfs/dbraw/zinc/94/13/27/598941327.db2.gz UKBRSJQOZJQHGX-QMMMGPOBSA-N -1 3 346.778 2.802 20 10 EFCDHM COc1ccc(O)c([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737106481 598941329 /nfs/dbraw/zinc/94/13/29/598941329.db2.gz UKBRSJQOZJQHGX-QMMMGPOBSA-N -1 3 346.778 2.802 20 10 EFCDHM COc1ccc(N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)cc1F ZINC000832383555 601551584 /nfs/dbraw/zinc/55/15/84/601551584.db2.gz LCHDBQSKAODCOI-SFHVURJKSA-N -1 3 344.386 2.782 20 10 EFCDHM CCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367916 607797295 /nfs/dbraw/zinc/79/72/95/607797295.db2.gz XOJZRZNHBHCLHP-WTKPLQERSA-N -1 3 334.383 2.636 20 10 EFCDHM CCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367916 607797296 /nfs/dbraw/zinc/79/72/96/607797296.db2.gz XOJZRZNHBHCLHP-WTKPLQERSA-N -1 3 334.383 2.636 20 10 EFCDHM CN(Cc1c(O)ccc2ccncc21)c1ccccc1-c1nn[n-]n1 ZINC000825953532 607847558 /nfs/dbraw/zinc/84/75/58/607847558.db2.gz JRRWHNCMXYRHGZ-UHFFFAOYSA-N -1 3 332.367 2.757 20 10 EFCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cccnc2N2CCCC2)c1 ZINC000850352624 1250446411 /nfs/dbraw/zinc/44/64/11/1250446411.db2.gz CMKNZXVSEIQGHP-UHFFFAOYSA-N -1 3 328.372 2.585 20 10 EFCDHM [O-]c1c(Br)cccc1CN1CCN(C2CCC2)CC1 ZINC000769411308 1255972451 /nfs/dbraw/zinc/97/24/51/1255972451.db2.gz ISVMIMNVQWJTOP-UHFFFAOYSA-N -1 3 325.250 2.825 20 10 EFCDHM O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1cccc(F)c1[O-] ZINC001273304549 1266086911 /nfs/dbraw/zinc/08/69/11/1266086911.db2.gz NPWRHOOTLIGXRG-HNNXBMFYSA-N -1 3 346.324 2.661 20 10 EFCDHM C[C@@H](NCc1cn(C)cn1)c1cc(Br)c(F)cc1[O-] ZINC000903352951 1260328886 /nfs/dbraw/zinc/32/88/86/1260328886.db2.gz XJFHXUAZTZYMBI-MRVPVSSYSA-N -1 3 328.185 2.878 20 10 EFCDHM O=C(NCCc1nc(C(F)(F)F)cs1)c1cccc(O)c1[O-] ZINC000187153145 1261536231 /nfs/dbraw/zinc/53/62/31/1261536231.db2.gz WUXNWTBLGUWURJ-UHFFFAOYSA-N -1 3 332.303 2.546 20 10 EFCDHM CN(C)c1cc(CNC(=O)c2cccc(O)c2[O-])c2ccccc2n1 ZINC000187157123 1261602518 /nfs/dbraw/zinc/60/25/18/1261602518.db2.gz PGVKGBJFAVDPBC-UHFFFAOYSA-N -1 3 337.379 2.642 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000187197529 1261923471 /nfs/dbraw/zinc/92/34/71/1261923471.db2.gz PKYKDCFLFNMHRY-UHFFFAOYSA-N -1 3 328.324 2.811 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(c3ncc(F)cn3)CC2)cc1Cl ZINC000825514619 1278578648 /nfs/dbraw/zinc/57/86/48/1278578648.db2.gz QDBVESMYJNHNMK-UHFFFAOYSA-N -1 3 336.798 2.605 20 10 EFCDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521945 1278582646 /nfs/dbraw/zinc/58/26/46/1278582646.db2.gz HFCXBYOCJRELRE-GXTWGEPZSA-N -1 3 344.386 2.802 20 10 EFCDHM [O-]c1cccc(F)c1CN1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001137832797 1271381807 /nfs/dbraw/zinc/38/18/07/1271381807.db2.gz IBQWJEOKMUOFAH-OLZOCXBDSA-N -1 3 325.277 2.759 20 10 EFCDHM C[C@H](C[C@H](C)NC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000843936926 1278687658 /nfs/dbraw/zinc/68/76/58/1278687658.db2.gz TWKGKAHVFCCLJM-WDEREUQCSA-N -1 3 338.404 2.519 20 10 EFCDHM COc1ccc(N(C)CCN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000844401466 1278950584 /nfs/dbraw/zinc/95/05/84/1278950584.db2.gz MCHBBBUWXFZVDS-AWEZNQCLSA-N -1 3 330.432 2.628 20 10 EFCDHM CCc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000786819383 1275554062 /nfs/dbraw/zinc/55/40/62/1275554062.db2.gz NUBDPHONMHVQPG-UHFFFAOYSA-N -1 3 340.423 2.721 20 10 EFCDHM O=C(CNc1cc(N2CCCCC2)ccn1)c1ccc([O-])c(O)c1 ZINC001170317083 1279011095 /nfs/dbraw/zinc/01/10/95/1279011095.db2.gz YDXAYWJREQYUNP-UHFFFAOYSA-N -1 3 327.384 2.778 20 10 EFCDHM O=C(CNc1ccnc(N2CCCCC2)c1)c1ccc([O-])c(O)c1 ZINC001170315369 1279009357 /nfs/dbraw/zinc/00/93/57/1279009357.db2.gz WKNMMGIUKMPSBR-UHFFFAOYSA-N -1 3 327.384 2.778 20 10 EFCDHM O=C(CNc1cc(CN2CCCCC2)ccn1)c1ccc([O-])c(O)c1 ZINC001170316765 1279011640 /nfs/dbraw/zinc/01/16/40/1279011640.db2.gz NJMPDLAMTYRFKT-UHFFFAOYSA-N -1 3 341.411 2.774 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C)c(C)c1O ZINC000187059993 1276500452 /nfs/dbraw/zinc/50/04/52/1276500452.db2.gz PVQMFNNOCQVAJV-UHFFFAOYSA-N -1 3 346.408 2.613 20 10 EFCDHM COc1cc2c(cc1Cl)CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000819203718 1276677067 /nfs/dbraw/zinc/67/70/67/1276677067.db2.gz RAAMMUFRTVITMB-UHFFFAOYSA-N -1 3 333.771 2.958 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000789956850 1277122005 /nfs/dbraw/zinc/12/20/05/1277122005.db2.gz IJZXEOCDCYQLEZ-CQSZACIVSA-N -1 3 344.386 2.631 20 10 EFCDHM CCOC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC000790570621 1277654347 /nfs/dbraw/zinc/65/43/47/1277654347.db2.gz DRJSVKIERFGFRQ-AWEZNQCLSA-N -1 3 347.342 2.661 20 10 EFCDHM CC(C)OC(=O)NCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790733222 1277752340 /nfs/dbraw/zinc/75/23/40/1277752340.db2.gz KEEXRKZARSPACB-UHFFFAOYSA-N -1 3 344.367 2.985 20 10 EFCDHM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cccc(O)c1[O-] ZINC000790814725 1277762994 /nfs/dbraw/zinc/76/29/94/1277762994.db2.gz SQVZSXFYXQGXFO-UHFFFAOYSA-N -1 3 328.324 2.615 20 10 EFCDHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790933207 1277853396 /nfs/dbraw/zinc/85/33/96/1277853396.db2.gz PGHBMASUHDMUMB-NSHDSACASA-N -1 3 329.352 2.702 20 10 EFCDHM CCOc1ccc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000844939779 1279353501 /nfs/dbraw/zinc/35/35/01/1279353501.db2.gz QVJVOVOPOVBJTA-LJQANCHMSA-N -1 3 329.396 2.923 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@H](CO)CC1 ZINC001144299417 1279386059 /nfs/dbraw/zinc/38/60/59/1279386059.db2.gz WPSSDOFZVBDSLM-SNVBAGLBSA-N -1 3 332.213 2.888 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])CC[C@@H]1O ZINC001144299275 1279387103 /nfs/dbraw/zinc/38/71/03/1279387103.db2.gz ULZFJMGESFAELT-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)c(F)cc2[O-])CCC[C@@H]1O ZINC001144298844 1279387955 /nfs/dbraw/zinc/38/79/55/1279387955.db2.gz LANOXCYYKROFLS-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM CN1CCN(Cc2cc(Br)c(F)cc2[O-])CC1(C)C ZINC001144306407 1279404262 /nfs/dbraw/zinc/40/42/62/1279404262.db2.gz APMXNFJNEZWBSN-UHFFFAOYSA-N -1 3 331.229 2.820 20 10 EFCDHM O=c1cc2[nH]cc(NCc3cc(Br)ccc3[O-])cc-2[nH]1 ZINC001171175365 1279567989 /nfs/dbraw/zinc/56/79/89/1279567989.db2.gz MNLOUIRPLYVGMI-UHFFFAOYSA-N -1 3 334.173 2.656 20 10 EFCDHM CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000846510618 1280214024 /nfs/dbraw/zinc/21/40/24/1280214024.db2.gz LWSAYBKHFKKOGW-GFCCVEGCSA-N -1 3 335.400 2.824 20 10 EFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CCN(C2CC2)C1 ZINC000805184171 1280473320 /nfs/dbraw/zinc/47/33/20/1280473320.db2.gz OSTUAAALCAXFKG-NSHDSACASA-N -1 3 344.242 2.735 20 10 EFCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ncc1C(F)(F)F ZINC001148212115 1281453780 /nfs/dbraw/zinc/45/37/80/1281453780.db2.gz MYYFHRPRSIKGCL-UHFFFAOYSA-N -1 3 328.246 2.773 20 10 EFCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(-c2ccccc2F)n1 ZINC001148211913 1281454122 /nfs/dbraw/zinc/45/41/22/1281454122.db2.gz BZKUVPBIOPWEBT-UHFFFAOYSA-N -1 3 327.315 2.983 20 10 EFCDHM O=C(Nc1c[nH]c2nccc(Br)c12)c1cccc(O)c1[O-] ZINC001148212310 1281454387 /nfs/dbraw/zinc/45/43/87/1281454387.db2.gz WXSSHPLXIMOKDN-UHFFFAOYSA-N -1 3 348.156 2.989 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC2(Cc3ccccc3O2)CC1 ZINC001148218644 1281456908 /nfs/dbraw/zinc/45/69/08/1281456908.db2.gz JJADJIPGYZLWBU-UHFFFAOYSA-N -1 3 325.364 2.708 20 10 EFCDHM O=C(NCCC(C(F)(F)F)C(F)(F)F)c1cccc(O)c1[O-] ZINC001148225290 1281460252 /nfs/dbraw/zinc/46/02/52/1281460252.db2.gz JYOGURRJVIHFQT-UHFFFAOYSA-N -1 3 331.212 2.959 20 10 EFCDHM O=C(NCCc1cc(Br)cs1)c1cccc(O)c1[O-] ZINC001148225282 1281460381 /nfs/dbraw/zinc/46/03/81/1281460381.db2.gz JPEZTAQPZSQDNL-UHFFFAOYSA-N -1 3 342.214 2.894 20 10 EFCDHM O=C(Nc1nc2ccccc2nc1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148581207 1281659459 /nfs/dbraw/zinc/65/94/59/1281659459.db2.gz PEVTUXXSCCCNIA-UHFFFAOYSA-N -1 3 331.715 2.652 20 10 EFCDHM Cc1cc(C)cc(OC[C@@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586453 1281662455 /nfs/dbraw/zinc/66/24/55/1281662455.db2.gz OXFZELXQXJULJS-GFCCVEGCSA-N -1 3 331.368 2.618 20 10 EFCDHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148586857 1281662972 /nfs/dbraw/zinc/66/29/72/1281662972.db2.gz XLYHIEMNJLRNKM-UHFFFAOYSA-N -1 3 343.257 2.997 20 10 EFCDHM O=C(NCCc1c[nH]c2cccc(Cl)c12)c1cc(O)c([O-])c(O)c1 ZINC001148591271 1281663559 /nfs/dbraw/zinc/66/35/59/1281663559.db2.gz WKTLAGPHJZDISA-UHFFFAOYSA-N -1 3 346.770 2.911 20 10 EFCDHM CC(=O)c1cc(C(=O)N2CCCc3cc(O)c(O)cc3C2)ccc1[O-] ZINC001148663365 1281720693 /nfs/dbraw/zinc/72/06/93/1281720693.db2.gz ZHHVWRJDCMQCQS-UHFFFAOYSA-N -1 3 341.363 2.595 20 10 EFCDHM CC(=O)NCC[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809777998 1282478345 /nfs/dbraw/zinc/47/83/45/1282478345.db2.gz KUCFSWDBRUHZHJ-GFCCVEGCSA-N -1 3 328.815 2.923 20 10 EFCDHM CC(=O)NCC[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809777999 1282478849 /nfs/dbraw/zinc/47/88/49/1282478849.db2.gz KUCFSWDBRUHZHJ-LBPRGKRZSA-N -1 3 328.815 2.923 20 10 EFCDHM CC[C@H](NCc1nnnn1C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227073 1283054986 /nfs/dbraw/zinc/05/49/86/1283054986.db2.gz QRAZTEASXYMSAI-LBPRGKRZSA-N -1 3 341.337 2.973 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(F)c(NC(N)=O)c2)c1 ZINC000815631879 1287648697 /nfs/dbraw/zinc/64/86/97/1287648697.db2.gz VSQJXOSEPPASDH-SECBINFHSA-N -1 3 347.346 2.982 20 10 EFCDHM COc1ccc(CNCc2cc(Cl)cc(F)c2[O-])c(OC)n1 ZINC000811518956 1284370237 /nfs/dbraw/zinc/37/02/37/1284370237.db2.gz SWXJVSALXNBVSV-UHFFFAOYSA-N -1 3 326.755 2.887 20 10 EFCDHM CC[C@@]1(CNC(=O)c2cccc(O)c2[O-])OCCc2ccccc21 ZINC000811589688 1284428678 /nfs/dbraw/zinc/42/86/78/1284428678.db2.gz OQYOVQCBLBHDGY-IBGZPJMESA-N -1 3 327.380 2.706 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3C[C@@H](C)S(=O)(=O)[C@@H](C)C3)c2c1 ZINC000811796725 1284622571 /nfs/dbraw/zinc/62/25/71/1284622571.db2.gz QLGQHELAYQZLFO-BETUJISGSA-N -1 3 349.452 2.561 20 10 EFCDHM [O-]c1c(Br)cccc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000812776724 1285410026 /nfs/dbraw/zinc/41/00/26/1285410026.db2.gz YIZSCOQMUZJVLZ-SNVBAGLBSA-N -1 3 336.176 2.604 20 10 EFCDHM Nc1cc(S(=O)(=O)[N-]c2cccc(N3CCCCC3)c2)ccc1O ZINC001174302088 1286960744 /nfs/dbraw/zinc/96/07/44/1286960744.db2.gz CKTZKBQSMGOAOS-UHFFFAOYSA-N -1 3 347.440 2.766 20 10 EFCDHM CCOC(=O)N[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816487662 1288157450 /nfs/dbraw/zinc/15/74/50/1288157450.db2.gz UFIKVASUQYFLQD-NSHDSACASA-N -1 3 330.787 2.895 20 10 EFCDHM CCc1nocc1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000816506872 1288177591 /nfs/dbraw/zinc/17/75/91/1288177591.db2.gz PAKHQNGLHVYJAU-UHFFFAOYSA-N -1 3 338.791 2.771 20 10 EFCDHM CNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816612762 1288225891 /nfs/dbraw/zinc/22/58/91/1288225891.db2.gz XTNGHKGVBJGTCP-LLVKDONJSA-N -1 3 330.787 2.895 20 10 EFCDHM CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816612763 1288225979 /nfs/dbraw/zinc/22/59/79/1288225979.db2.gz XTNGHKGVBJGTCP-NSHDSACASA-N -1 3 330.787 2.895 20 10 EFCDHM COc1c([O-])c(CNC(C)(C)c2cn(C(C)C)nn2)ccc1[N+](=O)[O-] ZINC000817419664 1288594814 /nfs/dbraw/zinc/59/48/14/1288594814.db2.gz JROKVAZAHORLLM-UHFFFAOYSA-N -1 3 349.391 2.506 20 10 EFCDHM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC000817624763 1288672849 /nfs/dbraw/zinc/67/28/49/1288672849.db2.gz DOIBZBZCHBOQGQ-RYUDHWBXSA-N -1 3 335.400 2.680 20 10 EFCDHM O=C(CCc1cnoc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001178408011 1288778431 /nfs/dbraw/zinc/77/84/31/1288778431.db2.gz JQUKPJKBKLCKAQ-UHFFFAOYSA-N -1 3 331.759 2.831 20 10 EFCDHM O=C(Cc1ncccc1F)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001178483799 1288801000 /nfs/dbraw/zinc/80/10/00/1288801000.db2.gz DKVCMKSNCKKPKS-UHFFFAOYSA-N -1 3 345.761 2.987 20 10 EFCDHM CN(C)c1ccc(C=CC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001180126187 1289426871 /nfs/dbraw/zinc/42/68/71/1289426871.db2.gz IUDHFGOMIQERNI-FMIVXFBMSA-N -1 3 334.383 2.585 20 10 EFCDHM CN(C)c1ccc(C=CC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001180126187 1289426876 /nfs/dbraw/zinc/42/68/76/1289426876.db2.gz IUDHFGOMIQERNI-FMIVXFBMSA-N -1 3 334.383 2.585 20 10 EFCDHM O=C(c1ccc(O)cc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000091815246 1290441251 /nfs/dbraw/zinc/44/12/51/1290441251.db2.gz IRSFJIWAQNCQJY-UHFFFAOYSA-N -1 3 346.814 2.709 20 10 EFCDHM [O-]c1c(Br)cccc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000091856232 1290553252 /nfs/dbraw/zinc/55/32/52/1290553252.db2.gz BCTKCLVYYPWDLB-STQMWFEESA-N -1 3 344.274 2.861 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CCC(F)(F)C1 ZINC001232974972 1312823658 /nfs/dbraw/zinc/82/36/58/1312823658.db2.gz UZURJRBUUNVUJP-UHFFFAOYSA-N -1 3 339.123 2.838 20 10 EFCDHM C[C@H]1CN(Cc2ccc(I)cc2[O-])CCCO1 ZINC001232975074 1312824044 /nfs/dbraw/zinc/82/40/44/1312824044.db2.gz WDEPXODPSWYZRB-JTQLQIEISA-N -1 3 347.196 2.608 20 10 EFCDHM COc1ccc(NCc2c(C)cccc2O)cc1[N-]S(C)(=O)=O ZINC000876842084 1291044625 /nfs/dbraw/zinc/04/46/25/1291044625.db2.gz XUBXRADKLVAJQN-UHFFFAOYSA-N -1 3 336.413 2.693 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@H]2OCC[C@@H]2C1 ZINC001233029167 1312836176 /nfs/dbraw/zinc/83/61/76/1312836176.db2.gz AODZZPWPDOYYFU-YMTOWFKASA-N -1 3 330.197 2.905 20 10 EFCDHM C[C@H]1CN(Cc2c([O-])cc(Br)cc2F)CCC[C@H]1O ZINC001233029014 1312836262 /nfs/dbraw/zinc/83/62/62/1312836262.db2.gz YEYKCIPBOXNPPW-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM CCOC(=O)c1nc2c(o1)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203664020 1291191341 /nfs/dbraw/zinc/19/13/41/1291191341.db2.gz LRASOVHWKHFOJV-UHFFFAOYSA-N -1 3 336.775 2.769 20 10 EFCDHM COc1ccc(N2CCN(Cc3cccc([O-])c3F)CC2)c(OC)c1 ZINC001233054077 1312844382 /nfs/dbraw/zinc/84/43/82/1312844382.db2.gz BHXRJHDHDVCQNS-UHFFFAOYSA-N -1 3 346.402 2.871 20 10 EFCDHM O=C(NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1)C1CCCC1 ZINC001233077145 1312849844 /nfs/dbraw/zinc/84/98/44/1312849844.db2.gz GUKVTJVWEFEZFH-UHFFFAOYSA-N -1 3 338.398 2.941 20 10 EFCDHM Cc1cncnc1O[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079812 1312851266 /nfs/dbraw/zinc/85/12/66/1312851266.db2.gz LDGIMJWSSZMRDF-ZDUSSCGKSA-N -1 3 335.354 2.812 20 10 EFCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1ccoc1 ZINC001188622760 1291433549 /nfs/dbraw/zinc/43/35/49/1291433549.db2.gz RIEFLCBAFWHIOJ-UHFFFAOYSA-N -1 3 338.772 2.665 20 10 EFCDHM COc1cc([O-])c(CN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC001233135422 1312863317 /nfs/dbraw/zinc/86/33/17/1312863317.db2.gz SMHWHNRMYKWHSR-UWVGGRQHSA-N -1 3 330.222 2.773 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)C[C@@H]2C)cc1Br ZINC001233134978 1312863474 /nfs/dbraw/zinc/86/34/74/1312863474.db2.gz IPSQITBTDBXYSY-VIFPVBQESA-N -1 3 328.206 2.717 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2cnccn2)cc1Br ZINC001233140246 1312864447 /nfs/dbraw/zinc/86/44/47/1312864447.db2.gz ATIYANIJVRJPOQ-UHFFFAOYSA-N -1 3 338.205 2.585 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@]23CCOC3)cc1Br ZINC001233141683 1312865403 /nfs/dbraw/zinc/86/54/03/1312865403.db2.gz JVTGACCGTBQGQZ-CQSZACIVSA-N -1 3 328.206 2.528 20 10 EFCDHM COc1cc([O-])c(CN2CCOC3(CC3)C2)cc1Br ZINC001233142467 1312865454 /nfs/dbraw/zinc/86/54/54/1312865454.db2.gz PKWOCURUVPTLQE-UHFFFAOYSA-N -1 3 328.206 2.528 20 10 EFCDHM CC1(C)CCN(Cc2ccc(Br)cc2[O-])CC[S@]1=O ZINC000691680321 1291678234 /nfs/dbraw/zinc/67/82/34/1291678234.db2.gz UZMFFAGPJNKYIW-LJQANCHMSA-N -1 3 346.290 2.888 20 10 EFCDHM COc1ccc([O-])c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000775291761 1291817529 /nfs/dbraw/zinc/81/75/29/1291817529.db2.gz ONYDTDMCMGDKIU-UHFFFAOYSA-N -1 3 337.397 2.832 20 10 EFCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2F)CC[C@@]1(O)C(F)(F)F ZINC001233332659 1312904539 /nfs/dbraw/zinc/90/45/39/1312904539.db2.gz SRMJDHREWRWQFP-SDBXPKJASA-N -1 3 325.277 2.806 20 10 EFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1O ZINC001190501025 1292189807 /nfs/dbraw/zinc/18/98/07/1292189807.db2.gz UTRZUGOFAIZWAR-UHFFFAOYSA-N -1 3 347.392 2.857 20 10 EFCDHM CN1C[C@]2(CC1=O)CCCCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417258 1312927913 /nfs/dbraw/zinc/92/79/13/1312927913.db2.gz OERRSHGNLBLREH-MRXNPFEDSA-N -1 3 342.361 2.998 20 10 EFCDHM [O-]c1c(CN2CCN(C[C@H]3CCCO3)CC2)cccc1C(F)(F)F ZINC001233417718 1312928007 /nfs/dbraw/zinc/92/80/07/1312928007.db2.gz FSUOYPYNWBWKRG-CQSZACIVSA-N -1 3 344.377 2.708 20 10 EFCDHM [O-]c1c(CN2CCC(F)(F)[C@H](CO)C2)cccc1C(F)(F)F ZINC001233416150 1312928256 /nfs/dbraw/zinc/92/82/56/1312928256.db2.gz XXRVUMXFXVEVKI-JTQLQIEISA-N -1 3 325.277 2.861 20 10 EFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1C[C@H](CO)CC(F)(F)C1 ZINC001233452197 1312935384 /nfs/dbraw/zinc/93/53/84/1312935384.db2.gz NOGQWPZVAURHRO-SECBINFHSA-N -1 3 325.277 2.861 20 10 EFCDHM CC(C)OCc1nnc2n1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203656118 1312982339 /nfs/dbraw/zinc/98/23/39/1312982339.db2.gz IKIGSMMWDQNQPL-UHFFFAOYSA-N -1 3 336.823 2.578 20 10 EFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cn(C)nc21 ZINC001203655919 1312982589 /nfs/dbraw/zinc/98/25/89/1312982589.db2.gz FGBLOQUWHLHJKE-AWEZNQCLSA-N -1 3 335.835 2.915 20 10 EFCDHM COc1ccc2nc(NC(=O)c3cc(O)c([O-])c(Cl)c3)[nH]c2c1 ZINC001193590161 1293353736 /nfs/dbraw/zinc/35/37/36/1293353736.db2.gz VVKBCCZGDGKBTP-UHFFFAOYSA-N -1 3 333.731 2.888 20 10 EFCDHM O=C(NC1CC1)c1cccc(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000882934839 1293390325 /nfs/dbraw/zinc/39/03/25/1293390325.db2.gz VHTIPFZNXTVZTG-UHFFFAOYSA-N -1 3 332.350 2.852 20 10 EFCDHM O=C1[C@H](NCc2cc(F)cc(F)c2[O-])CCN1Cc1ccccc1 ZINC000882940916 1293394189 /nfs/dbraw/zinc/39/41/89/1293394189.db2.gz CVBYVKKEPSOIFB-MRXNPFEDSA-N -1 3 332.350 2.561 20 10 EFCDHM O=C(Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O)OCCF ZINC001194967189 1293759139 /nfs/dbraw/zinc/75/91/39/1293759139.db2.gz PPMGTVGFWZAEMP-UHFFFAOYSA-N -1 3 329.283 2.686 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCC(C)(C)O1 ZINC000775633633 1293793231 /nfs/dbraw/zinc/79/32/31/1293793231.db2.gz XFDLPULVQRPISW-AWEZNQCLSA-N -1 3 341.835 2.978 20 10 EFCDHM CCOC(=O)NC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001195502972 1293945749 /nfs/dbraw/zinc/94/57/49/1293945749.db2.gz OYSASSNTVMTXJS-UHFFFAOYSA-N -1 3 339.804 2.714 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000775727137 1294292031 /nfs/dbraw/zinc/29/20/31/1294292031.db2.gz KDPOFFIXBLLROT-CQSZACIVSA-N -1 3 329.799 2.955 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)c(C)cc1O ZINC001198145480 1294910601 /nfs/dbraw/zinc/91/06/01/1294910601.db2.gz VNUIKORIXGDKAO-UHFFFAOYSA-N -1 3 329.381 2.753 20 10 EFCDHM C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1c([O-])cccc1F ZINC000886543808 1295008797 /nfs/dbraw/zinc/00/87/97/1295008797.db2.gz VQDUCTHAYJKOGB-CZUORRHYSA-N -1 3 328.387 2.983 20 10 EFCDHM CO[C@@H](C)CCOc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234750143 1313188521 /nfs/dbraw/zinc/18/85/21/1313188521.db2.gz ZMJMFAMYRZHCMB-VIFPVBQESA-N -1 3 346.335 2.867 20 10 EFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3CCCOC3)c12 ZINC001234749280 1313188571 /nfs/dbraw/zinc/18/85/71/1313188571.db2.gz QUWVIRJFYSRUGK-SNVBAGLBSA-N -1 3 344.319 2.621 20 10 EFCDHM CO[C@H](C)CCOc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234750142 1313188670 /nfs/dbraw/zinc/18/86/70/1313188670.db2.gz ZMJMFAMYRZHCMB-SECBINFHSA-N -1 3 346.335 2.867 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCN(C2CCC2)CC1 ZINC001235056779 1313232438 /nfs/dbraw/zinc/23/24/38/1313232438.db2.gz FJGZCMNXZYACDO-UHFFFAOYSA-N -1 3 343.240 2.964 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC(N2CCCCC2)C1 ZINC001235068874 1313235249 /nfs/dbraw/zinc/23/52/49/1313235249.db2.gz MSFUSYTUQLKSIY-UHFFFAOYSA-N -1 3 343.240 2.964 20 10 EFCDHM C[C@@H]1CO[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@H]12 ZINC001235067610 1313235534 /nfs/dbraw/zinc/23/55/34/1313235534.db2.gz XHHBCCLXAMSOTR-XTWCZFFVSA-N -1 3 330.197 2.761 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])CC[C@@H]1O ZINC001235295880 1313283846 /nfs/dbraw/zinc/28/38/46/1313283846.db2.gz GHXWDONTTNGIOZ-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])[C@H]1CO ZINC001235295919 1313284379 /nfs/dbraw/zinc/28/43/79/1313284379.db2.gz GNPTVEFSAYUKMM-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1n[nH]c2c1CCC2 ZINC001201242503 1296651520 /nfs/dbraw/zinc/65/15/20/1296651520.db2.gz CZJYMSGNWHXNRS-UHFFFAOYSA-N -1 3 342.786 2.736 20 10 EFCDHM CC[C@H]1C(=O)NCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000106855674 1297584677 /nfs/dbraw/zinc/58/46/77/1297584677.db2.gz IBMSCYZFDMDAQI-AWEZNQCLSA-N -1 3 328.412 2.728 20 10 EFCDHM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccc(O)c1[O-] ZINC000776326443 1297677130 /nfs/dbraw/zinc/67/71/30/1297677130.db2.gz HOESZHPOJVYYJS-UHFFFAOYSA-N -1 3 344.348 2.731 20 10 EFCDHM CN(Cc1ccccc1O)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000776336970 1297767357 /nfs/dbraw/zinc/76/73/57/1297767357.db2.gz XKOPYWRAYQMGMO-UHFFFAOYSA-N -1 3 344.317 2.784 20 10 EFCDHM CCN(C(C)=O)C1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236808664 1313533726 /nfs/dbraw/zinc/53/37/26/1313533726.db2.gz HSCDAZGJNWHCKT-UHFFFAOYSA-N -1 3 340.851 2.887 20 10 EFCDHM COc1cc([O-])c(CN2CCN(C)c3ncccc3C2)c(Cl)c1 ZINC001236795927 1313529885 /nfs/dbraw/zinc/52/98/85/1313529885.db2.gz ACHLSLBGPUUHOP-UHFFFAOYSA-N -1 3 333.819 2.901 20 10 EFCDHM COc1ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)c([O-])c1Cl ZINC001236803553 1313531908 /nfs/dbraw/zinc/53/19/08/1313531908.db2.gz VFIOIGMYTBPITK-CYBMUJFWSA-N -1 3 339.741 2.801 20 10 EFCDHM COc1cc([O-])c(CN2CC(N3CCC(F)CC3)C2)c(Cl)c1 ZINC001236804748 1313532130 /nfs/dbraw/zinc/53/21/30/1313532130.db2.gz XOWVJWFJSCKSJK-UHFFFAOYSA-N -1 3 328.815 2.672 20 10 EFCDHM COc1ccc(CN2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1Cl ZINC001236810693 1313533662 /nfs/dbraw/zinc/53/36/62/1313533662.db2.gz XQFJMCTUNLUHOU-INIZCTEOSA-N -1 3 325.792 2.726 20 10 EFCDHM COc1ccc(CN2CCC[C@H](Oc3ncccn3)C2)c([O-])c1Cl ZINC001236807165 1313532933 /nfs/dbraw/zinc/53/29/33/1313532933.db2.gz GSPSECVKGMCCNP-ZDUSSCGKSA-N -1 3 349.818 2.888 20 10 EFCDHM COc1ccc(CN2CCC(Oc3cnccn3)CC2)c([O-])c1Cl ZINC001236807299 1313533247 /nfs/dbraw/zinc/53/32/47/1313533247.db2.gz NMFNVQIXROCFIS-UHFFFAOYSA-N -1 3 349.818 2.888 20 10 EFCDHM COC(=O)[C@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236819153 1313536716 /nfs/dbraw/zinc/53/67/16/1313536716.db2.gz UXSIUDOCDXCATE-NSHDSACASA-N -1 3 327.808 2.829 20 10 EFCDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cc2ccccc2cc1[O-] ZINC001236842028 1313540730 /nfs/dbraw/zinc/54/07/30/1313540730.db2.gz RZZWJTNPVJCKOI-SFHVURJKSA-N -1 3 327.380 2.642 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2ccon2)c(Br)c1 ZINC001237069672 1313580702 /nfs/dbraw/zinc/58/07/02/1313580702.db2.gz HRSIHFQTAZUKJZ-UHFFFAOYSA-N -1 3 327.178 2.783 20 10 EFCDHM CNC(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237087533 1313584405 /nfs/dbraw/zinc/58/44/05/1313584405.db2.gz YHHLRWHETHIXKE-UHFFFAOYSA-N -1 3 332.231 2.592 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@H](F)C(=O)C2)c(Br)c1 ZINC001237062174 1313579143 /nfs/dbraw/zinc/57/91/43/1313579143.db2.gz KTUYUARFSOMCQX-LBPRGKRZSA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC001237062109 1313579469 /nfs/dbraw/zinc/57/94/69/1313579469.db2.gz KDQDSLKMWKXQRH-AOOOYVTPSA-N -1 3 330.222 2.773 20 10 EFCDHM CC(C)(C)OC(=O)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000776680270 1300134978 /nfs/dbraw/zinc/13/49/78/1300134978.db2.gz YSVVJFFTRCLLOG-UHFFFAOYSA-N -1 3 343.379 2.983 20 10 EFCDHM O=C1CCC[C@]2(CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)N1 ZINC001237618339 1313678079 /nfs/dbraw/zinc/67/80/79/1313678079.db2.gz HSWLOZLTEASQAD-MRXNPFEDSA-N -1 3 326.799 2.819 20 10 EFCDHM Cc1ccnc(O[C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC001237623370 1313678807 /nfs/dbraw/zinc/67/88/07/1313678807.db2.gz CSSHGUDXAWDQHH-CYBMUJFWSA-N -1 3 337.782 2.936 20 10 EFCDHM Cc1nccnc1O[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237623420 1313679026 /nfs/dbraw/zinc/67/90/26/1313679026.db2.gz MTNYDXCOBXTWTF-ZDUSSCGKSA-N -1 3 337.782 2.936 20 10 EFCDHM Cc1cc([O-])c(CN2CCc3ncncc3C2)cc1Br ZINC001237679988 1313689715 /nfs/dbraw/zinc/68/97/15/1313689715.db2.gz XYGDVPMYMGLMAA-UHFFFAOYSA-N -1 3 334.217 2.811 20 10 EFCDHM COC(=O)[C@H]1CCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237678437 1313689753 /nfs/dbraw/zinc/68/97/53/1313689753.db2.gz ZCNDWCDYISQDRR-GFCCVEGCSA-N -1 3 328.206 2.601 20 10 EFCDHM [O-]c1c(F)cccc1CN1CC2(CN(CCCC(F)(F)F)C2)C1 ZINC001276537504 1313703012 /nfs/dbraw/zinc/70/30/12/1313703012.db2.gz ILQKZXVDTXLEMO-UHFFFAOYSA-N -1 3 332.341 2.991 20 10 EFCDHM COC[C@@H]1CCCN1Cc1cccc(I)c1[O-] ZINC001237778471 1313704799 /nfs/dbraw/zinc/70/47/99/1313704799.db2.gz WIJMLHDGVJOMJY-NSHDSACASA-N -1 3 347.196 2.608 20 10 EFCDHM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3cccc(F)c3[O-])C2)C1 ZINC001276538612 1313707453 /nfs/dbraw/zinc/70/74/53/1313707453.db2.gz XXODFOPCXQEHAN-MRXNPFEDSA-N -1 3 342.414 2.698 20 10 EFCDHM O=C1CCC[C@]2(CCCN(Cc3cc(F)cc(Cl)c3[O-])C2)N1 ZINC001237798966 1313708523 /nfs/dbraw/zinc/70/85/23/1313708523.db2.gz FDPZKGDIRNOECW-MRXNPFEDSA-N -1 3 326.799 2.819 20 10 EFCDHM COCCCCN1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237803079 1313709369 /nfs/dbraw/zinc/70/93/69/1313709369.db2.gz QFUFFKKMJMLRNE-UHFFFAOYSA-N -1 3 330.831 2.729 20 10 EFCDHM [O-]c1c(Br)cccc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000245695384 1300729780 /nfs/dbraw/zinc/72/97/80/1300729780.db2.gz BCTKCLVYYPWDLB-CHWSQXEVSA-N -1 3 344.274 2.861 20 10 EFCDHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000795325128 1300749037 /nfs/dbraw/zinc/74/90/37/1300749037.db2.gz REXOBCZFFNMMLV-UHFFFAOYSA-N -1 3 349.408 2.607 20 10 EFCDHM Cc1nccnc1O[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941328 1313734701 /nfs/dbraw/zinc/73/47/01/1313734701.db2.gz VEXCNQKTWZTBBB-LBPRGKRZSA-N -1 3 337.782 2.936 20 10 EFCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001237940888 1313734737 /nfs/dbraw/zinc/73/47/37/1313734737.db2.gz OTRXXIJZSADVCZ-NSHDSACASA-N -1 3 341.745 2.767 20 10 EFCDHM CC(C)NC(=O)N[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941206 1313735154 /nfs/dbraw/zinc/73/51/54/1313735154.db2.gz RWFFOYWYUSZMBQ-LBPRGKRZSA-N -1 3 343.830 2.857 20 10 EFCDHM O=C1NCCC2(CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)O1 ZINC001237948600 1313735617 /nfs/dbraw/zinc/73/56/17/1313735617.db2.gz FIUHFKDOSDQZMZ-UHFFFAOYSA-N -1 3 328.771 2.649 20 10 EFCDHM COc1ccc(N(C)CCN(C)C(=O)c2c(C)cccc2[O-])cc1 ZINC000862128258 1302293082 /nfs/dbraw/zinc/29/30/82/1302293082.db2.gz CPWFRVJFMDXROT-UHFFFAOYSA-N -1 3 328.412 2.918 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000862251763 1302323364 /nfs/dbraw/zinc/32/33/64/1302323364.db2.gz MPNQQEJGJFTEFK-GJZGRUSLSA-N -1 3 342.233 2.535 20 10 EFCDHM CN(Cc1c([O-])cccc1Br)C[C@H](O)C(F)(F)F ZINC000862367807 1302350027 /nfs/dbraw/zinc/35/00/27/1302350027.db2.gz VQOPYQOUOTYWTO-JTQLQIEISA-N -1 3 328.128 2.510 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000794875102 1303442557 /nfs/dbraw/zinc/44/25/57/1303442557.db2.gz MGBSTUXKIQHHGP-UHFFFAOYSA-N -1 3 335.381 2.793 20 10 EFCDHM C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000870122076 1305151379 /nfs/dbraw/zinc/15/13/79/1305151379.db2.gz ITRBEDVEIYRZDX-AWEZNQCLSA-N -1 3 326.396 2.617 20 10 EFCDHM COCCO[N-]C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000748769848 1314125840 /nfs/dbraw/zinc/12/58/40/1314125840.db2.gz ICCHFTHKRZLWIB-UHFFFAOYSA-N -1 3 336.819 2.984 20 10 EFCDHM O=C1NCCN(Cc2c([O-])ccc3ccncc32)[C@@H]1c1ccccc1 ZINC000748794588 1314131016 /nfs/dbraw/zinc/13/10/16/1314131016.db2.gz LKLCJEQPEZETRK-LJQANCHMSA-N -1 3 333.391 2.614 20 10 EFCDHM O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1cccc(O)c1[O-] ZINC000800681130 1308235591 /nfs/dbraw/zinc/23/55/91/1308235591.db2.gz IHBPNTGPOAPNQM-SFHVURJKSA-N -1 3 347.798 2.883 20 10 EFCDHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000145442184 1308583822 /nfs/dbraw/zinc/58/38/22/1308583822.db2.gz VZZBTDGXSGZEJF-CQSZACIVSA-N -1 3 326.396 2.720 20 10 EFCDHM Cc1cc([O-])c(CN2CC3(C2)CN(C(=O)NC(C)C)C3)cc1Cl ZINC001276372486 1314282616 /nfs/dbraw/zinc/28/26/16/1314282616.db2.gz VGKNKCPFBADDKG-UHFFFAOYSA-N -1 3 337.851 2.590 20 10 EFCDHM CCOC[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380553 1311658742 /nfs/dbraw/zinc/65/87/42/1311658742.db2.gz YBIHBQUJOYPWIC-LLVKDONJSA-N -1 3 326.348 2.971 20 10 EFCDHM CN1CCC(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CC1 ZINC001226380164 1311658837 /nfs/dbraw/zinc/65/88/37/1311658837.db2.gz OJTSKBDWDDXTEY-UHFFFAOYSA-N -1 3 337.375 2.641 20 10 EFCDHM CCOC[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380554 1311658845 /nfs/dbraw/zinc/65/88/45/1311658845.db2.gz YBIHBQUJOYPWIC-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM CC[C@@H](COC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226379565 1311658889 /nfs/dbraw/zinc/65/88/89/1311658889.db2.gz FAUVCNAFDVUADR-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCOC[C@@H]3F)cccc21 ZINC001226382646 1311659239 /nfs/dbraw/zinc/65/92/39/1311659239.db2.gz CWBKWKUWFLNWQM-GXTWGEPZSA-N -1 3 342.322 2.673 20 10 EFCDHM CC1(C)COC(=O)[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937075 1311876121 /nfs/dbraw/zinc/87/61/21/1311876121.db2.gz AEGSWWMYJRWOEE-KRWDZBQOSA-N 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SVDBMXSXJDJJFT-OLZOCXBDSA-N -1 3 335.400 2.502 20 10 EFCDHM CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1C ZINC001231454025 1312500859 /nfs/dbraw/zinc/50/08/59/1312500859.db2.gz SVDBMXSXJDJJFT-OLZOCXBDSA-N -1 3 335.400 2.502 20 10 EFCDHM Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)c1 ZINC001231453815 1312501282 /nfs/dbraw/zinc/50/12/82/1312501282.db2.gz PWDWCLDEBQILJQ-MRXNPFEDSA-N -1 3 342.395 2.837 20 10 EFCDHM Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)c1 ZINC001231453815 1312501285 /nfs/dbraw/zinc/50/12/85/1312501285.db2.gz PWDWCLDEBQILJQ-MRXNPFEDSA-N -1 3 342.395 2.837 20 10 EFCDHM CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1C ZINC001231454027 1312501447 /nfs/dbraw/zinc/50/14/47/1312501447.db2.gz SVDBMXSXJDJJFT-STQMWFEESA-N -1 3 335.400 2.502 20 10 EFCDHM CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1C ZINC001231454027 1312501449 /nfs/dbraw/zinc/50/14/49/1312501449.db2.gz SVDBMXSXJDJJFT-STQMWFEESA-N -1 3 335.400 2.502 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC001231454441 1312501561 /nfs/dbraw/zinc/50/15/61/1312501561.db2.gz XDNWIQHVKFAZBE-INIZCTEOSA-N -1 3 328.368 2.529 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC001231454441 1312501564 /nfs/dbraw/zinc/50/15/64/1312501564.db2.gz XDNWIQHVKFAZBE-INIZCTEOSA-N -1 3 328.368 2.529 20 10 EFCDHM CCCc1noc([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231455858 1312501794 /nfs/dbraw/zinc/50/17/94/1312501794.db2.gz VBASIFJQSIADFD-AWEZNQCLSA-N -1 3 345.399 2.806 20 10 EFCDHM CCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231455858 1312501797 /nfs/dbraw/zinc/50/17/97/1312501797.db2.gz VBASIFJQSIADFD-AWEZNQCLSA-N -1 3 345.399 2.806 20 10 EFCDHM CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231559456 1312524739 /nfs/dbraw/zinc/52/47/39/1312524739.db2.gz FEYXBNQEWMLSGX-CYBMUJFWSA-N -1 3 337.372 2.616 20 10 EFCDHM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c(C)cc1[O-] ZINC001231870466 1312578230 /nfs/dbraw/zinc/57/82/30/1312578230.db2.gz CXJIIDHZYSEPOB-DEZZGGKRSA-N -1 3 339.819 2.506 20 10 EFCDHM COC(=O)CC[C@@H]1COCCN1Cc1ccc2ccccc2c1[O-] ZINC001231881669 1312579643 /nfs/dbraw/zinc/57/96/43/1312579643.db2.gz ADVSCQKDZVJKHV-MRXNPFEDSA-N -1 3 329.396 2.699 20 10 EFCDHM COC(=O)c1cn2c(n1)CN(Cc1ccc3ccccc3c1[O-])CC2 ZINC001231883698 1312580665 /nfs/dbraw/zinc/58/06/65/1312580665.db2.gz STTMJADMINMMCX-UHFFFAOYSA-N -1 3 337.379 2.544 20 10 EFCDHM COc1ccnc(O[C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231912978 1312586916 /nfs/dbraw/zinc/58/69/16/1312586916.db2.gz BOUMXXGDBZROLC-ZDUSSCGKSA-N -1 3 349.818 2.888 20 10 EFCDHM [O-]c1c(Cl)cccc1CN1CCN(CCc2ccncc2)CC1 ZINC001231912167 1312587321 /nfs/dbraw/zinc/58/73/21/1312587321.db2.gz XCUUSTXEVYZRTR-UHFFFAOYSA-N -1 3 331.847 2.801 20 10 EFCDHM [O-]c1c(Cl)cccc1CN1CCN(CCc2ccccn2)CC1 ZINC001231911624 1312587539 /nfs/dbraw/zinc/58/75/39/1312587539.db2.gz JCGRYCQTRGRWMJ-UHFFFAOYSA-N -1 3 331.847 2.801 20 10 EFCDHM COc1cnc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC001231912927 1312587651 /nfs/dbraw/zinc/58/76/51/1312587651.db2.gz AMHNLWJJTXRWGP-UHFFFAOYSA-N -1 3 349.818 2.888 20 10 EFCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232259544 1312660203 /nfs/dbraw/zinc/66/02/03/1312660203.db2.gz YUVCMSOOBLXBQB-UHFFFAOYSA-N -1 3 342.823 2.804 20 10 EFCDHM CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262828 1312660710 /nfs/dbraw/zinc/66/07/10/1312660710.db2.gz RRTNVJALBNRGFV-ZWNOBZJWSA-N -1 3 327.808 2.915 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)C3CC3)C2)cc1Cl ZINC001232271555 1312663436 /nfs/dbraw/zinc/66/34/36/1312663436.db2.gz WMXICGBFERVRLJ-CYBMUJFWSA-N -1 3 338.835 2.545 20 10 EFCDHM CN(c1ccc(Cl)cc1[O-])S(=O)(=O)CCc1ccc(N)cc1 ZINC001214409858 1314688113 /nfs/dbraw/zinc/68/81/13/1314688113.db2.gz XLSCIDOYSDSIGY-UHFFFAOYSA-N -1 3 340.832 2.637 20 10 EFCDHM COc1cccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1OC ZINC001215325214 1314815338 /nfs/dbraw/zinc/81/53/38/1314815338.db2.gz GXFMNENCXMCFBZ-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM COc1ncc(Cl)cc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215327664 1314816433 /nfs/dbraw/zinc/81/64/33/1314816433.db2.gz NBZKBAWYGFTWQK-UHFFFAOYSA-N -1 3 335.703 2.577 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)cc1O ZINC001215329018 1314816872 /nfs/dbraw/zinc/81/68/72/1314816872.db2.gz YLPUUNGDXLLWPQ-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM Cc1cc(CN2CCC[C@@H](F)C(=O)C2)c([O-])cc1Br ZINC001250120642 1315174514 /nfs/dbraw/zinc/17/45/14/1315174514.db2.gz LHAYPZJEJDHGDE-GFCCVEGCSA-N -1 3 330.197 2.966 20 10 EFCDHM Cc1cc(CN2CCN(CC(F)F)CC2)c([O-])cc1Br ZINC001250132925 1315177468 /nfs/dbraw/zinc/17/74/68/1315177468.db2.gz FOASUEFENZZHMB-UHFFFAOYSA-N -1 3 349.219 2.846 20 10 EFCDHM CN1CCO[C@@]2(CCCN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001276818892 1315484962 /nfs/dbraw/zinc/48/49/62/1315484962.db2.gz MCBKZKRFFSMROH-INIZCTEOSA-N -1 3 345.270 2.996 20 10 EFCDHM CCCCS(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001253896784 1315649500 /nfs/dbraw/zinc/64/95/00/1315649500.db2.gz DFIMCVRNRDQYJO-UHFFFAOYSA-N -1 3 328.821 2.813 20 10 EFCDHM CN(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1F ZINC000901526437 1324744631 /nfs/dbraw/zinc/74/46/31/1324744631.db2.gz BCEJJGGMAXANAB-GOSISDBHSA-N -1 3 344.386 2.742 20 10 EFCDHM CN(C)c1ccc(CN2CCC(C(=O)[O-])(C(F)(F)F)CC2)cc1 ZINC000903921975 1324857833 /nfs/dbraw/zinc/85/78/33/1324857833.db2.gz SUFHQXLTPDKJBQ-UHFFFAOYSA-N -1 3 330.350 2.982 20 10 EFCDHM O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(F)cc1F ZINC001332424233 1330969928 /nfs/dbraw/zinc/96/99/28/1330969928.db2.gz WXISKBKRVOBSQY-LSDHHAIUSA-N -1 3 333.334 2.971 20 10 EFCDHM O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(F)cc1F ZINC001332424233 1330969929 /nfs/dbraw/zinc/96/99/29/1330969929.db2.gz WXISKBKRVOBSQY-LSDHHAIUSA-N -1 3 333.334 2.971 20 10 EFCDHM [O-]c1cccc(Br)c1CN[C@H](CCO)c1ccco1 ZINC001334903607 1331328505 /nfs/dbraw/zinc/32/85/05/1331328505.db2.gz VAAIHZZQNMHDOO-GFCCVEGCSA-N -1 3 326.190 2.961 20 10 EFCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cncc(N2CCCC2)n1 ZINC001352717628 1333678969 /nfs/dbraw/zinc/67/89/69/1333678969.db2.gz PZPUUMWPDRBMRD-UHFFFAOYSA-N -1 3 344.762 2.519 20 10 EFCDHM O=C1c2ccccc2C(=O)c2c(NC(=S)NC3CC3)ccc([O-])c21 ZINC001200634365 1334241549 /nfs/dbraw/zinc/24/15/49/1334241549.db2.gz VJGYWVQHQIQQSF-UHFFFAOYSA-N -1 3 338.388 2.616 20 10 EFCDHM C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736135095 1425870571 /nfs/dbraw/zinc/87/05/71/1425870571.db2.gz MXTHBNQTQMWJRU-LBPRGKRZSA-N -1 3 340.406 2.923 20 10 EFCDHM C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135095 1425870577 /nfs/dbraw/zinc/87/05/77/1425870577.db2.gz MXTHBNQTQMWJRU-LBPRGKRZSA-N -1 3 340.406 2.923 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826210510 1430156655 /nfs/dbraw/zinc/15/66/55/1430156655.db2.gz UOWUHVAHHQSZRK-SNVBAGLBSA-N -1 3 343.362 2.571 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826210510 1430156658 /nfs/dbraw/zinc/15/66/58/1430156658.db2.gz UOWUHVAHHQSZRK-SNVBAGLBSA-N -1 3 343.362 2.571 20 10 EFCDHM Oc1cccc(Cl)c1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000738401398 1449876752 /nfs/dbraw/zinc/87/67/52/1449876752.db2.gz RVTJPLJHGRCNAH-UHFFFAOYSA-N -1 3 333.754 2.655 20 10 EFCDHM O=C1C[C@H](c2ccccc2)N(Cc2cc(F)cc(F)c2[O-])CCN1 ZINC000893966692 720188132 /nfs/dbraw/zinc/18/81/32/720188132.db2.gz SPANMKDHUMWABP-MRXNPFEDSA-N -1 3 332.350 2.734 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000894052274 720252381 /nfs/dbraw/zinc/25/23/81/720252381.db2.gz CEZPXADRYBDMOP-LSDHHAIUSA-N -1 3 326.387 2.892 20 10 EFCDHM Cn1cc2c(n1)ncnc2[N-]c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000163278862 724665135 /nfs/dbraw/zinc/66/51/35/724665135.db2.gz ULWNKRXNFMPVQR-UHFFFAOYSA-N -1 3 340.368 2.642 20 10 EFCDHM CC(C)(CO)[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000185878404 720437530 /nfs/dbraw/zinc/43/75/30/720437530.db2.gz BJWFSLXRVDGHEH-HNNXBMFYSA-N -1 3 329.396 2.630 20 10 EFCDHM O=C(NCc1ccnc(OC2CCCC2)c1)c1cccc(O)c1[O-] ZINC000186925058 720487658 /nfs/dbraw/zinc/48/76/58/720487658.db2.gz RORNXCMOWNYMDA-UHFFFAOYSA-N -1 3 328.368 2.744 20 10 EFCDHM O=C(NCc1cccc(OCC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000186942495 720488391 /nfs/dbraw/zinc/48/83/91/720488391.db2.gz IWJGIPVFPCOWBI-UHFFFAOYSA-N -1 3 341.285 2.969 20 10 EFCDHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000188437281 720554794 /nfs/dbraw/zinc/55/47/94/720554794.db2.gz PMQSFJDQHILVOV-LLVKDONJSA-N -1 3 325.368 2.958 20 10 EFCDHM O=C(NOCc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000193143995 720876134 /nfs/dbraw/zinc/87/61/34/720876134.db2.gz SFYKSPWEXQDYAT-UHFFFAOYSA-N -1 3 327.258 2.978 20 10 EFCDHM O=C(NCc1ccccc1OCC(F)(F)F)c1cccc(O)c1[O-] ZINC000192988691 724760149 /nfs/dbraw/zinc/76/01/49/724760149.db2.gz HIXQOZMGHULCCT-UHFFFAOYSA-N -1 3 341.285 2.969 20 10 EFCDHM O=C1NCCCN(Cc2cc(F)cc(F)c2[O-])[C@H]1Cc1ccccc1 ZINC000894860084 722905133 /nfs/dbraw/zinc/90/51/33/722905133.db2.gz WWWCSKFCEPMDFL-KRWDZBQOSA-N -1 3 346.377 2.604 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000897257968 724137980 /nfs/dbraw/zinc/13/79/80/724137980.db2.gz FNBGWRRPXMJFJU-LLVKDONJSA-N -1 3 329.799 2.691 20 10 EFCDHM CC(C)CC(=O)N1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895465215 724147970 /nfs/dbraw/zinc/14/79/70/724147970.db2.gz QMDFQMVUBUSNPG-UHFFFAOYSA-N -1 3 326.387 2.751 20 10 EFCDHM COc1ccc(N2CCN(Cc3ccc([O-])c(F)c3)CC2)c(OC)c1 ZINC000895817370 724330334 /nfs/dbraw/zinc/33/03/34/724330334.db2.gz OVYOQWTXDPHLBH-UHFFFAOYSA-N -1 3 346.402 2.871 20 10 EFCDHM CCCC[C@@H](CCC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092229056 725696383 /nfs/dbraw/zinc/69/63/83/725696383.db2.gz OLSMLZZGWNNZKO-GFCCVEGCSA-N -1 3 342.461 2.852 20 10 EFCDHM O=C1[N-]C(=O)C(=CNCc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000032584940 727135814 /nfs/dbraw/zinc/13/58/14/727135814.db2.gz NYGPKNHYMNXATO-XMHGGMMESA-N -1 3 347.418 2.688 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000912098997 727660090 /nfs/dbraw/zinc/66/00/90/727660090.db2.gz KAMHCVKDKFLXLL-RDJZCZTQSA-N -1 3 327.380 2.826 20 10 EFCDHM COc1cc(C)c(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001574181503 962811344 /nfs/dbraw/zinc/81/13/44/962811344.db2.gz AQKRKHVZFDTRQL-LJQANCHMSA-N -1 3 329.396 2.841 20 10 EFCDHM Cc1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000843040136 969234702 /nfs/dbraw/zinc/23/47/02/969234702.db2.gz GSKIXTWUPFTXFS-UHFFFAOYSA-N -1 3 327.808 2.810 20 10 EFCDHM Cc1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000843040136 969234709 /nfs/dbraw/zinc/23/47/09/969234709.db2.gz GSKIXTWUPFTXFS-UHFFFAOYSA-N -1 3 327.808 2.810 20 10 EFCDHM Cc1cc(CN[C@H](C(=O)[O-])c2ccnn2C)ccc1N1CCCCC1 ZINC001605173217 972882070 /nfs/dbraw/zinc/88/20/70/972882070.db2.gz SXTCDNLJTHZXMP-SFHVURJKSA-N -1 3 342.443 2.634 20 10 EFCDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1C ZINC000901531137 980359648 /nfs/dbraw/zinc/35/96/48/980359648.db2.gz ULCSLUMEAFXFFD-GOSISDBHSA-N -1 3 327.380 2.854 20 10 EFCDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc(F)ccc1O ZINC001594571107 986404560 /nfs/dbraw/zinc/40/45/60/986404560.db2.gz YQPYPPGQCFRGNM-CYBMUJFWSA-N -1 3 344.386 2.940 20 10 EFCDHM CCOc1ccc(C[NH2+][C@@H](Cc2cccc(OC)c2)C(=O)[O-])c([O-])c1 ZINC001597101571 986720177 /nfs/dbraw/zinc/72/01/77/986720177.db2.gz ZYISLKLDHWOHSN-KRWDZBQOSA-N -1 3 345.395 2.585 20 10 EFCDHM CN1CCCc2cc(CN[C@@H]3CCCn4nc(C(=O)[O-])cc43)ccc21 ZINC001598603871 993610535 /nfs/dbraw/zinc/61/05/35/993610535.db2.gz UOHQNOZFYFSJLM-OAHLLOKOSA-N -1 3 340.427 2.588 20 10 EFCDHM C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247232 994463224 /nfs/dbraw/zinc/46/32/24/994463224.db2.gz FQJIEEXGSGEEHT-XCLFUZPHSA-N -1 3 341.407 2.618 20 10 EFCDHM C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248686 994474057 /nfs/dbraw/zinc/47/40/57/994474057.db2.gz VHRNIALMOYHHFS-TZMCWYRMSA-N -1 3 347.386 2.731 20 10 EFCDHM C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256806 994522611 /nfs/dbraw/zinc/52/26/11/994522611.db2.gz JLUBHYXXOJAVOZ-WDEREUQCSA-N -1 3 346.349 2.625 20 10 EFCDHM C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268486 994593727 /nfs/dbraw/zinc/59/37/27/994593727.db2.gz VPVYVGNFMMUKIM-CYBMUJFWSA-N -1 3 348.443 2.828 20 10 EFCDHM C[C@H]([NH2+]CCOC1CCSCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593270927 994599497 /nfs/dbraw/zinc/59/94/97/994599497.db2.gz BPSAXKCRNBPFEG-NSHDSACASA-N -1 3 325.430 2.653 20 10 EFCDHM C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273873 994622032 /nfs/dbraw/zinc/62/20/32/994622032.db2.gz ZMKUPDHFALGJLA-MRVPVSSYSA-N -1 3 339.285 2.658 20 10 EFCDHM C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275916 994630495 /nfs/dbraw/zinc/63/04/95/994630495.db2.gz WGOMRNHXZYDFOL-LBPRGKRZSA-N -1 3 327.380 2.919 20 10 EFCDHM C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593285967 994640190 /nfs/dbraw/zinc/64/01/90/994640190.db2.gz MMEKCGNRIOHFIE-PKPZWWHKSA-N -1 3 327.327 2.555 20 10 EFCDHM C[C@@](NCc1ccc2c(c1)CCO2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304050 994741447 /nfs/dbraw/zinc/74/14/47/994741447.db2.gz GSNMRAJWIYKVSI-SFHVURJKSA-N -1 3 342.351 2.619 20 10 EFCDHM COc1cccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1O ZINC001599674723 994877833 /nfs/dbraw/zinc/87/78/33/994877833.db2.gz XVCSUFPHMXECAB-UHFFFAOYSA-N -1 3 328.368 2.661 20 10 EFCDHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(N)cc1 ZINC001578392839 1090361270 /nfs/dbraw/zinc/36/12/70/1090361270.db2.gz PLPLDWPYYPCCRA-UHFFFAOYSA-N -1 3 329.306 2.665 20 10 EFCDHM Cc1cc(NC(=O)N(C)Cc2ccccc2O)cc(-c2nnn[n-]2)c1 ZINC001580980802 1091054653 /nfs/dbraw/zinc/05/46/53/1091054653.db2.gz RHFLVLSDMYLTCP-UHFFFAOYSA-N -1 3 338.371 2.545 20 10 EFCDHM Cc1cc(NC(=O)N(C)Cc2ccccc2O)cc(-c2nn[n-]n2)c1 ZINC001580980802 1091054658 /nfs/dbraw/zinc/05/46/58/1091054658.db2.gz RHFLVLSDMYLTCP-UHFFFAOYSA-N -1 3 338.371 2.545 20 10 EFCDHM Cn1c(-c2ccccc2)cnc1SCc1ccncc1-c1nnn[n-]1 ZINC001581746899 1091272970 /nfs/dbraw/zinc/27/29/70/1091272970.db2.gz QHIUHXKQRMWHEN-UHFFFAOYSA-N -1 3 349.423 2.955 20 10 EFCDHM Cn1c(-c2ccccc2)cnc1SCc1ccncc1-c1nn[n-]n1 ZINC001581746899 1091272974 /nfs/dbraw/zinc/27/29/74/1091272974.db2.gz QHIUHXKQRMWHEN-UHFFFAOYSA-N -1 3 349.423 2.955 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN(C/C=C\c2ccccc2)CC1 ZINC000588516065 1092765146 /nfs/dbraw/zinc/76/51/46/1092765146.db2.gz HFUIWBSAZIUGOL-YVMONPNESA-N -1 3 338.407 2.569 20 10 EFCDHM CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCO1 ZINC001589571672 1093107874 /nfs/dbraw/zinc/10/78/74/1093107874.db2.gz KWVCMEJALFNSQD-MGPQQGTHSA-N -1 3 345.447 2.817 20 10 EFCDHM C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952237 1093192365 /nfs/dbraw/zinc/19/23/65/1093192365.db2.gz QBWZLWUBOCYEDR-ZBEGNZNMSA-N -1 3 336.399 2.769 20 10 EFCDHM C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978083 1093204958 /nfs/dbraw/zinc/20/49/58/1093204958.db2.gz HUMNCGRNCWBFTJ-SDDRHHMPSA-N -1 3 331.420 2.569 20 10 EFCDHM CC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465104 1093434123 /nfs/dbraw/zinc/43/41/23/1093434123.db2.gz IEBOOYJZAINBLP-RCBQFDQVSA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@H]([NH2+]CC(CC)(CC)CCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590463633 1093434833 /nfs/dbraw/zinc/43/48/33/1093434833.db2.gz KKQJWIBWLAFJBN-HNNXBMFYSA-N -1 3 347.463 2.802 20 10 EFCDHM CC[C@H]([NH2+][C@H]1CC[C@@H](SC)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465534 1093437280 /nfs/dbraw/zinc/43/72/80/1093437280.db2.gz IMQAYEPKXBLULP-WDMOLILDSA-N -1 3 333.461 2.897 20 10 EFCDHM CC[C@@H]([NH2+]Cc1nc(C)cs1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468889 1093441489 /nfs/dbraw/zinc/44/14/89/1093441489.db2.gz IOEWDXXTAXUILG-GFCCVEGCSA-N -1 3 330.417 2.578 20 10 EFCDHM CC[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469425 1093442295 /nfs/dbraw/zinc/44/22/95/1093442295.db2.gz YWYBUKIXEITPLP-SWLSCSKDSA-N -1 3 343.431 2.715 20 10 EFCDHM CN(C)c1ccc(CN2CCCc3c(-c4nnn[n-]4)cccc32)cc1 ZINC001591031391 1093654403 /nfs/dbraw/zinc/65/44/03/1093654403.db2.gz KDLKVAYQDJZUAF-UHFFFAOYSA-N -1 3 334.427 2.886 20 10 EFCDHM CN(C)c1ccc(CN2CCCc3c(-c4nn[n-]n4)cccc32)cc1 ZINC001591031391 1093654405 /nfs/dbraw/zinc/65/44/05/1093654405.db2.gz KDLKVAYQDJZUAF-UHFFFAOYSA-N -1 3 334.427 2.886 20 10 EFCDHM COCC[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccco1 ZINC001591400147 1093715477 /nfs/dbraw/zinc/71/54/77/1093715477.db2.gz NEBDKIJMNFUOHG-BXUZGUMPSA-N -1 3 343.387 2.594 20 10 EFCDHM COc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])ccc1C ZINC001591532964 1093753051 /nfs/dbraw/zinc/75/30/51/1093753051.db2.gz GLCIVIUJUAQTTP-GFCCVEGCSA-N -1 3 339.399 2.740 20 10 EFCDHM COc1ccc(N(Cc2ccc(-c3nnn[n-]3)cn2)CC2CC2)cc1 ZINC001591608645 1093794114 /nfs/dbraw/zinc/79/41/14/1093794114.db2.gz VHNCFBSVCMHYSV-UHFFFAOYSA-N -1 3 336.399 2.687 20 10 EFCDHM COc1ccc(N(Cc2ccc(-c3nn[n-]n3)cn2)CC2CC2)cc1 ZINC001591608645 1093794121 /nfs/dbraw/zinc/79/41/21/1093794121.db2.gz VHNCFBSVCMHYSV-UHFFFAOYSA-N -1 3 336.399 2.687 20 10 EFCDHM COc1ccc(O)c(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC001591618088 1093800920 /nfs/dbraw/zinc/80/09/20/1093800920.db2.gz BVXLTCFSJBFJRD-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM COc1ccc(O)c(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC001591618088 1093800931 /nfs/dbraw/zinc/80/09/31/1093800931.db2.gz BVXLTCFSJBFJRD-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(C)c1-c1nnn[n-]1 ZINC001591929652 1093919074 /nfs/dbraw/zinc/91/90/74/1093919074.db2.gz IKIWGNBPXRUYKE-LBPRGKRZSA-N -1 3 337.383 2.680 20 10 EFCDHM Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(C)c1-c1nn[n-]n1 ZINC001591929652 1093919079 /nfs/dbraw/zinc/91/90/79/1093919079.db2.gz IKIWGNBPXRUYKE-LBPRGKRZSA-N -1 3 337.383 2.680 20 10 EFCDHM Cc1nc(CC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])sc1C ZINC001592359443 1094089442 /nfs/dbraw/zinc/08/94/42/1094089442.db2.gz IJMINFVRPPRJJO-SNVBAGLBSA-N -1 3 344.444 2.539 20 10 EFCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1C1CCC1 ZINC001593376616 1094302993 /nfs/dbraw/zinc/30/29/93/1094302993.db2.gz YUQQUHBWRIBYNA-YHYXMXQVSA-N -1 3 349.466 2.682 20 10 EFCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1C1CCC1 ZINC001593376616 1094303003 /nfs/dbraw/zinc/30/30/03/1094303003.db2.gz YUQQUHBWRIBYNA-YHYXMXQVSA-N -1 3 349.466 2.682 20 10 EFCDHM Oc1cccc(Br)c1CNc1ccccc1-c1nn[n-]n1 ZINC001593540492 1094352529 /nfs/dbraw/zinc/35/25/29/1094352529.db2.gz WZEXQWDGBRLXNQ-UHFFFAOYSA-N -1 3 346.188 2.947 20 10 EFCDHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)CCO2 ZINC001601675371 1095806140 /nfs/dbraw/zinc/80/61/40/1095806140.db2.gz VRECMUVCILEMFR-IBGZPJMESA-N -1 3 339.391 2.862 20 10 EFCDHM C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])CC(F)(F)F ZINC001603552026 1096550580 /nfs/dbraw/zinc/55/05/80/1096550580.db2.gz NTTVNWFQQLKISS-BDAKNGLRSA-N -1 3 329.326 2.811 20 10 EFCDHM C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603665042 1096583115 /nfs/dbraw/zinc/58/31/15/1096583115.db2.gz XHCLNPKUOLVQID-JTQLQIEISA-N -1 3 344.806 2.514 20 10 EFCDHM CC[C@H]([NH2+]C[C@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604052966 1096712036 /nfs/dbraw/zinc/71/20/36/1096712036.db2.gz AEENGEBIKUJEMG-RISCZKNCSA-N -1 3 333.461 2.756 20 10 EFCDHM CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055491 1096712280 /nfs/dbraw/zinc/71/22/80/1096712280.db2.gz MVCAJFJCGCWKCO-XJKSGUPXSA-N -1 3 347.463 2.658 20 10 EFCDHM CC[C@H]([NH2+]CCC1(COC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054190 1096712962 /nfs/dbraw/zinc/71/29/62/1096712962.db2.gz GSHWVPLYTZISKT-HNNXBMFYSA-N -1 3 345.447 2.820 20 10 EFCDHM CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055178 1096713078 /nfs/dbraw/zinc/71/30/78/1096713078.db2.gz NTHAYNSERPRTOR-BPNCWPANSA-N -1 3 339.403 2.516 20 10 EFCDHM CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056839 1096713814 /nfs/dbraw/zinc/71/38/14/1096713814.db2.gz WUSPZBDXBXNEFV-WFASDCNBSA-N -1 3 338.415 2.812 20 10 EFCDHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]Cc1ccccc1[O-] ZINC001604077212 1096722240 /nfs/dbraw/zinc/72/22/40/1096722240.db2.gz UYOXDOKPYAJOGA-GFCCVEGCSA-N -1 3 328.368 2.597 20 10 EFCDHM CCN(C(=O)C=Cc1scnc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001604258335 1096788003 /nfs/dbraw/zinc/78/80/03/1096788003.db2.gz KFGQYRXFGINJPL-HJWRWDBZSA-N -1 3 340.412 2.698 20 10 EFCDHM CCN(C(=O)C=Cc1scnc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001604258335 1096788005 /nfs/dbraw/zinc/78/80/05/1096788005.db2.gz KFGQYRXFGINJPL-HJWRWDBZSA-N -1 3 340.412 2.698 20 10 EFCDHM CCN(C(=O)C=Cc1ccc(C)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604260180 1096788807 /nfs/dbraw/zinc/78/88/07/1096788807.db2.gz YTPWWAHNVHKBJG-IZZDOVSWSA-N -1 3 334.383 2.636 20 10 EFCDHM CCN(C(=O)C=Cc1ccc(C)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604260180 1096788811 /nfs/dbraw/zinc/78/88/11/1096788811.db2.gz YTPWWAHNVHKBJG-IZZDOVSWSA-N -1 3 334.383 2.636 20 10 EFCDHM C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326215 1096811994 /nfs/dbraw/zinc/81/19/94/1096811994.db2.gz ROZLQZBJSSOQKD-RHSMWYFYSA-N -1 3 342.439 2.914 20 10 EFCDHM C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604331565 1096815112 /nfs/dbraw/zinc/81/51/12/1096815112.db2.gz BZPPNTKQNNRUMM-VBHSOAQHSA-N -1 3 329.396 2.906 20 10 EFCDHM C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340101 1096820731 /nfs/dbraw/zinc/82/07/31/1096820731.db2.gz FYHKHZRBHSKENJ-SECBINFHSA-N -1 3 343.305 2.657 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342965 1096821871 /nfs/dbraw/zinc/82/18/71/1096821871.db2.gz VHBWUEOIMKAOHG-WBMJQRKESA-N -1 3 327.380 2.883 20 10 EFCDHM CCSC1(C[NH2+][C@@H](CC)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001604477655 1096873433 /nfs/dbraw/zinc/87/34/33/1096873433.db2.gz FLYVSHZSDZSZBA-ZDUSSCGKSA-N -1 3 333.461 2.899 20 10 EFCDHM CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604538576 1096898466 /nfs/dbraw/zinc/89/84/66/1096898466.db2.gz KBKFDBARQAOTEZ-NEPJUHHUSA-N -1 3 338.415 2.942 20 10 EFCDHM CN(C)c1cc(F)c(CNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC001604697115 1096932977 /nfs/dbraw/zinc/93/29/77/1096932977.db2.gz OKLAQYFFRVFLHD-UHFFFAOYSA-N -1 3 330.342 2.823 20 10 EFCDHM CN(C)c1cc(F)c(CNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC001604697115 1096932983 /nfs/dbraw/zinc/93/29/83/1096932983.db2.gz OKLAQYFFRVFLHD-UHFFFAOYSA-N -1 3 330.342 2.823 20 10 EFCDHM CN(Cc1cc(Cl)cc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC001604801154 1096958437 /nfs/dbraw/zinc/95/84/37/1096958437.db2.gz XEGAUOWKGZEMHS-UHFFFAOYSA-N -1 3 343.774 2.885 20 10 EFCDHM CN(Cc1cc(Cl)cc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC001604801154 1096958442 /nfs/dbraw/zinc/95/84/42/1096958442.db2.gz XEGAUOWKGZEMHS-UHFFFAOYSA-N -1 3 343.774 2.885 20 10 EFCDHM CCOCc1cc(CN[C@H](C(=O)[O-])c2cccc(O)c2)ccc1OC ZINC001605642541 1097177687 /nfs/dbraw/zinc/17/76/87/1097177687.db2.gz RQYADXAWZJUVTB-SFHVURJKSA-N -1 3 345.395 2.853 20 10 EFCDHM Cc1cccnc1CCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605947280 1097284101 /nfs/dbraw/zinc/28/41/01/1097284101.db2.gz DROAHZCLXAMYDG-ZDUSSCGKSA-N -1 3 338.415 2.559 20 10 EFCDHM COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001606805961 1097458003 /nfs/dbraw/zinc/45/80/03/1097458003.db2.gz WJYJHAXUXFNMLM-CJNGLKHVSA-N -1 3 329.396 2.999 20 10 EFCDHM COc1ccc(N(C)CCN(C)Cc2cc(C(=O)[O-])oc2C)cc1 ZINC001607267675 1097579609 /nfs/dbraw/zinc/57/96/09/1097579609.db2.gz AQGFTDLZSRRYKE-UHFFFAOYSA-N -1 3 332.400 2.863 20 10 EFCDHM Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001607849516 1097753680 /nfs/dbraw/zinc/75/36/80/1097753680.db2.gz AWRSZYXGNZIIKA-CZUORRHYSA-N -1 3 329.396 2.653 20 10 EFCDHM CCN(CC)c1ccc(CNc2cc(-c3nnn[n-]3)ccn2)cc1F ZINC001609223688 1098211501 /nfs/dbraw/zinc/21/15/01/1098211501.db2.gz GQALJTFLTOCAHO-UHFFFAOYSA-N -1 3 341.394 2.859 20 10 EFCDHM CCN(CC)c1ccc(CNc2cc(-c3nn[n-]n3)ccn2)cc1F ZINC001609223688 1098211507 /nfs/dbraw/zinc/21/15/07/1098211507.db2.gz GQALJTFLTOCAHO-UHFFFAOYSA-N -1 3 341.394 2.859 20 10 EFCDHM C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774886 1098453162 /nfs/dbraw/zinc/45/31/62/1098453162.db2.gz WUBTVXYPUHGYEG-WMLDXEAASA-N -1 3 342.439 2.914 20 10 EFCDHM C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779845 1098455142 /nfs/dbraw/zinc/45/51/42/1098455142.db2.gz QVZBDJYCEPRUTD-HZMBPMFUSA-N -1 3 331.343 2.884 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+][C@H](CC(F)F)C(=O)[O-])c1[O-] ZINC001610432470 1098673889 /nfs/dbraw/zinc/67/38/89/1098673889.db2.gz MLOQPZKANNYCSA-SECBINFHSA-N -1 3 338.148 2.661 20 10 EFCDHM [O-]c1cc(F)c(F)cc1CN1CCCN(c2ccc(F)cn2)CC1 ZINC001142509124 1106041635 /nfs/dbraw/zinc/04/16/35/1106041635.db2.gz XPJKWJUPJZLKMB-UHFFFAOYSA-N -1 3 337.345 2.917 20 10 EFCDHM CO[C@@H]1CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232973774 1107488700 /nfs/dbraw/zinc/48/87/00/1107488700.db2.gz ADGISLWKSTXNAL-GFCCVEGCSA-N -1 3 347.196 2.608 20 10 EFCDHM COC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])ccn1 ZINC001168521686 1111988040 /nfs/dbraw/zinc/98/80/40/1111988040.db2.gz GUQQOJTYLPYEDK-UHFFFAOYSA-N -1 3 343.770 2.809 20 10 EFCDHM COC(=O)c1cnnc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168528523 1120227210 /nfs/dbraw/zinc/22/72/10/1120227210.db2.gz URRKRYUVCJXPHV-UHFFFAOYSA-N -1 3 344.758 2.783 20 10 EFCDHM Cc1ccccc1CN1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000177661692 239386188 /nfs/dbraw/zinc/38/61/88/239386188.db2.gz YRERFRVMPVLYQD-UHFFFAOYSA-N -1 3 340.423 2.673 20 10 EFCDHM Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c([O-])c1O ZINC000177664794 239385843 /nfs/dbraw/zinc/38/58/43/239385843.db2.gz IDUUVVMVYZGALH-UHFFFAOYSA-N -1 3 340.423 2.754 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2ccccc2Cl)CC1 ZINC000193137929 240088170 /nfs/dbraw/zinc/08/81/70/240088170.db2.gz GXZABLCCFLATOD-UHFFFAOYSA-N -1 3 346.814 2.709 20 10 EFCDHM CCCOc1ccc(CN2CCC(C)(C)S(=O)(=O)CC2)c([O-])c1 ZINC000195200236 240208189 /nfs/dbraw/zinc/20/81/89/240208189.db2.gz RYIOHUYSRGRNMD-UHFFFAOYSA-N -1 3 341.473 2.580 20 10 EFCDHM Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[n-]c(=O)n1 ZINC000268619104 240557245 /nfs/dbraw/zinc/55/72/45/240557245.db2.gz CRGXYYKKYRCVAT-UHFFFAOYSA-N -1 3 328.416 2.607 20 10 EFCDHM [O-]c1cccc2c1[C@@H]([NH2+]Cc1nnc(COc3ccccc3)[n-]1)CC2 ZINC000296409335 241085126 /nfs/dbraw/zinc/08/51/26/241085126.db2.gz KVBLVCAXCIVAKH-HNNXBMFYSA-N -1 3 336.395 2.866 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](NCc2csnn2)C1 ZINC000360791470 242210512 /nfs/dbraw/zinc/21/05/12/242210512.db2.gz NXFXUSHRFWNKFK-CYBMUJFWSA-N -1 3 338.864 2.651 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000366263244 242347233 /nfs/dbraw/zinc/34/72/33/242347233.db2.gz CAGLNBPIVHMKFE-OAHLLOKOSA-N -1 3 339.798 2.853 20 10 EFCDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000365149180 242317996 /nfs/dbraw/zinc/31/79/96/242317996.db2.gz GBTZHKVVBSOMFS-UONOGXRCSA-N -1 3 339.819 2.624 20 10 EFCDHM [O-]c1ccc(Br)cc1CNc1cnccc1-n1ccnn1 ZINC000367968156 242399678 /nfs/dbraw/zinc/39/96/78/242399678.db2.gz LSIJLFBJASRCAN-UHFFFAOYSA-N -1 3 346.188 2.743 20 10 EFCDHM C[C@@H](NCC(=O)N(C)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273612506 296115536 /nfs/dbraw/zinc/11/55/36/296115536.db2.gz WNDAYIUYOGOVCR-GFCCVEGCSA-N -1 3 335.404 2.742 20 10 EFCDHM C[C@@H](NCC(=O)NCC(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000280883528 296116050 /nfs/dbraw/zinc/11/60/50/296116050.db2.gz ONUOEOPXOJOFQV-ZCFIWIBFSA-N -1 3 327.158 2.731 20 10 EFCDHM O=C1N[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2CO1 ZINC000281160525 296397010 /nfs/dbraw/zinc/39/70/10/296397010.db2.gz GDOFYJWWOSTACZ-SKDRFNHKSA-N -1 3 331.199 2.629 20 10 EFCDHM O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc([O-])cs1 ZINC000408512901 257985638 /nfs/dbraw/zinc/98/56/38/257985638.db2.gz YHYVHYTYHZOQKZ-UHFFFAOYSA-N -1 3 330.409 2.506 20 10 EFCDHM COC(=O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000159176517 533294168 /nfs/dbraw/zinc/29/41/68/533294168.db2.gz WPBPNLDAKIQBRX-UHFFFAOYSA-N -1 3 328.206 2.540 20 10 EFCDHM C[C@@H](N[C@@H](C)c1ncnn1C)c1cc(Br)ccc1[O-] ZINC000276472255 474555196 /nfs/dbraw/zinc/55/51/96/474555196.db2.gz BLNBEWYXDIYDSN-BDAKNGLRSA-N -1 3 325.210 2.695 20 10 EFCDHM COc1ccc(N2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1F ZINC000084937612 472229003 /nfs/dbraw/zinc/22/90/03/472229003.db2.gz VSNAJYZNSTXINQ-UHFFFAOYSA-N -1 3 344.386 2.811 20 10 EFCDHM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000128214679 472419718 /nfs/dbraw/zinc/41/97/18/472419718.db2.gz HNPYOXKEXUUOEY-HNNXBMFYSA-N -1 3 334.803 2.919 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ncccc3F)CC2)c1[O-] ZINC000090631995 472646145 /nfs/dbraw/zinc/64/61/45/472646145.db2.gz ZRVAOIHZPSHBPV-UHFFFAOYSA-N -1 3 347.365 2.590 20 10 EFCDHM COCCCOCCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000091102283 472706716 /nfs/dbraw/zinc/70/67/16/472706716.db2.gz JPWWXGCINYKIPR-UHFFFAOYSA-N -1 3 329.824 2.733 20 10 EFCDHM Cn1c(Cl)cnc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000078680606 472753174 /nfs/dbraw/zinc/75/31/74/472753174.db2.gz TYTVBUMWOPXLPW-AWEZNQCLSA-N -1 3 335.835 2.960 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000091855641 472816206 /nfs/dbraw/zinc/81/62/06/472816206.db2.gz VUDVMLNADFPHMY-GXTWGEPZSA-N -1 3 344.274 2.861 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091925944 472827829 /nfs/dbraw/zinc/82/78/29/472827829.db2.gz WCGZVRIMPQMSQJ-LSDHHAIUSA-N -1 3 342.233 2.535 20 10 EFCDHM COCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134263580 472889196 /nfs/dbraw/zinc/88/91/96/472889196.db2.gz DKOSFPMYZXFYPI-HNNXBMFYSA-N -1 3 340.851 2.553 20 10 EFCDHM CN1CCCc2cc(CNC(=O)NCc3ccc([O-])c(F)c3)ccc21 ZINC000158103012 472893444 /nfs/dbraw/zinc/89/34/44/472893444.db2.gz VLOPONBWDOSLCE-UHFFFAOYSA-N -1 3 343.402 2.913 20 10 EFCDHM COCCOC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093339284 473088223 /nfs/dbraw/zinc/08/82/23/473088223.db2.gz OWMGXXAITBGXDH-UHFFFAOYSA-N -1 3 344.249 2.782 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000093505786 473115173 /nfs/dbraw/zinc/11/51/73/473115173.db2.gz HOJBIRAAGCJUIJ-QMTHXVAHSA-N -1 3 326.780 2.955 20 10 EFCDHM COc1ccc(OC)c(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000109770258 473119470 /nfs/dbraw/zinc/11/94/70/473119470.db2.gz SWELMVLFCZHCTF-CYBMUJFWSA-N -1 3 344.411 2.868 20 10 EFCDHM COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1C ZINC000109773332 473119830 /nfs/dbraw/zinc/11/98/30/473119830.db2.gz CVOXBJMETIVGAU-CYBMUJFWSA-N -1 3 344.411 2.827 20 10 EFCDHM C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccccc1[O-] ZINC000109770860 473119853 /nfs/dbraw/zinc/11/98/53/473119853.db2.gz ZUPLWGFUAGAUME-ZDUSSCGKSA-N -1 3 342.395 2.622 20 10 EFCDHM COc1cccc(CNC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000109769012 473120807 /nfs/dbraw/zinc/12/08/07/473120807.db2.gz NZYNNITVBBILPR-AWEZNQCLSA-N -1 3 328.412 2.538 20 10 EFCDHM CCCOc1ccc(CN2CCN(c3nc(C)ns3)CC2)c([O-])c1 ZINC000093663571 473132557 /nfs/dbraw/zinc/13/25/57/473132557.db2.gz PSXPALCGBDYPTB-UHFFFAOYSA-N -1 3 348.472 2.663 20 10 EFCDHM [O-]c1ccccc1CN(Cc1cn2cccnc2n1)C[C@@H]1CCCO1 ZINC000111233006 473198091 /nfs/dbraw/zinc/19/80/91/473198091.db2.gz ZNEBVHNNGUTAGP-KRWDZBQOSA-N -1 3 338.411 2.616 20 10 EFCDHM CCCOc1cccc(CNC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000111235814 473198496 /nfs/dbraw/zinc/19/84/96/473198496.db2.gz GBPKHTKNGSOXEF-UHFFFAOYSA-N -1 3 342.439 2.929 20 10 EFCDHM COC(=O)c1occc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000111232984 473198631 /nfs/dbraw/zinc/19/86/31/473198631.db2.gz LQNFFDGMRABZAW-INIZCTEOSA-N -1 3 345.395 2.953 20 10 EFCDHM [O-]c1cc(F)cc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000185472940 473435738 /nfs/dbraw/zinc/43/57/38/473435738.db2.gz UKQAIDOYUWUDEB-UHFFFAOYSA-N -1 3 334.366 2.797 20 10 EFCDHM [O-]c1cc(F)cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000185488105 473440358 /nfs/dbraw/zinc/44/03/58/473440358.db2.gz AGESLGMDPNJHDP-UHFFFAOYSA-N -1 3 348.393 2.921 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(Oc3ccc(F)nc3)CC2)c([O-])c1O ZINC000191152607 473492793 /nfs/dbraw/zinc/49/27/93/473492793.db2.gz PVKXELHQYAQWOY-UHFFFAOYSA-N -1 3 346.358 2.624 20 10 EFCDHM O=C(C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000185822165 473523361 /nfs/dbraw/zinc/52/33/61/473523361.db2.gz SZEKCOUGHPSRFI-AWEZNQCLSA-N -1 3 325.364 2.975 20 10 EFCDHM O=C1NCCCN1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191403529 473535984 /nfs/dbraw/zinc/53/59/84/473535984.db2.gz FXFUFDYWEQTULT-UHFFFAOYSA-N -1 3 341.814 2.564 20 10 EFCDHM C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186081985 473586811 /nfs/dbraw/zinc/58/68/11/473586811.db2.gz WCACEHRCBFYRKM-FZMZJTMJSA-N -1 3 348.834 2.625 20 10 EFCDHM C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[O-] ZINC000186144221 473600305 /nfs/dbraw/zinc/60/03/05/473600305.db2.gz JXOPQAHEZNLPEZ-BXKDBHETSA-N -1 3 334.313 2.735 20 10 EFCDHM Cc1ccc(C(=O)NCCCc2nc3ccccc3n2C)c([O-])c1O ZINC000179502790 473691250 /nfs/dbraw/zinc/69/12/50/473691250.db2.gz ZSTQQBORWVPJNW-UHFFFAOYSA-N -1 3 339.395 2.656 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(c3cc(F)ccc3F)CC2)c([O-])c1O ZINC000179538683 473693374 /nfs/dbraw/zinc/69/33/74/473693374.db2.gz XWTGNJJYIYOELR-UHFFFAOYSA-N -1 3 348.349 2.647 20 10 EFCDHM CCCCN(Cc1cccc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179567975 473695796 /nfs/dbraw/zinc/69/57/96/473695796.db2.gz BUEBAWCHXQZEMC-ZDUSSCGKSA-N -1 3 331.865 2.835 20 10 EFCDHM COc1ccncc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000287649867 473724257 /nfs/dbraw/zinc/72/42/57/473724257.db2.gz GPARDQIPWKEJPV-KRWDZBQOSA-N -1 3 328.412 2.977 20 10 EFCDHM CC[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1[O-] ZINC000287781724 473758503 /nfs/dbraw/zinc/75/85/03/473758503.db2.gz SDSJFMFYNKOOJS-HUUCEWRRSA-N -1 3 348.834 2.625 20 10 EFCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000281679437 473805254 /nfs/dbraw/zinc/80/52/54/473805254.db2.gz FBTWFEXJIUHRTK-NQCMUKECSA-N -1 3 331.412 2.908 20 10 EFCDHM COc1ccc(OC)c(CN(CCO)Cc2cc(F)ccc2[O-])c1 ZINC000180145478 473809663 /nfs/dbraw/zinc/80/96/63/473809663.db2.gz DWKMIXCZLAMVPW-UHFFFAOYSA-N -1 3 335.375 2.543 20 10 EFCDHM Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000281774147 473833223 /nfs/dbraw/zinc/83/32/23/473833223.db2.gz LCNKWJGYBCPHCA-UHFFFAOYSA-N -1 3 342.395 2.804 20 10 EFCDHM COC(=O)CN(Cc1cnccc1C)Cc1cc(Cl)ccc1[O-] ZINC000269633743 473849397 /nfs/dbraw/zinc/84/93/97/473849397.db2.gz MGGQTTGZSMMXNC-UHFFFAOYSA-N -1 3 334.803 2.924 20 10 EFCDHM C[C@H](NCC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187852573 473931084 /nfs/dbraw/zinc/93/10/84/473931084.db2.gz MGVJOCRNADPVOX-LBPRGKRZSA-N -1 3 334.366 2.680 20 10 EFCDHM COc1cc(Cl)cc(CN[C@@]2(CO)CCOc3ccccc32)c1[O-] ZINC000282167565 473968903 /nfs/dbraw/zinc/96/89/03/473968903.db2.gz DUGUKJQPUDOJRA-GOSISDBHSA-N -1 3 349.814 2.814 20 10 EFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(N2CCCC2=O)c1 ZINC000188294891 474049943 /nfs/dbraw/zinc/04/99/43/474049943.db2.gz FCRHTILKOCPURJ-LBPRGKRZSA-N -1 3 340.379 2.716 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000188413294 474086290 /nfs/dbraw/zinc/08/62/90/474086290.db2.gz POUSMYKGKBESQA-HNNXBMFYSA-N -1 3 333.771 2.965 20 10 EFCDHM Cc1ccc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c([O-])c1O ZINC000182319222 474149306 /nfs/dbraw/zinc/14/93/06/474149306.db2.gz GWARPGYOLKOYOH-GFCCVEGCSA-N -1 3 331.372 2.794 20 10 EFCDHM [O-]c1ccccc1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188664470 474158659 /nfs/dbraw/zinc/15/86/59/474158659.db2.gz CVXILQYTBNJTMV-UHFFFAOYSA-N -1 3 344.362 2.585 20 10 EFCDHM CCCOc1ccc(CN2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c([O-])c1 ZINC000289209969 474185238 /nfs/dbraw/zinc/18/52/38/474185238.db2.gz BXUKXTXYTHNMBQ-UMLSUDCWSA-N -1 3 325.474 2.912 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)c([O-])c1O ZINC000182606062 474216167 /nfs/dbraw/zinc/21/61/67/474216167.db2.gz SQDXZRZWOXUSMS-DZGCQCFKSA-N -1 3 329.396 2.691 20 10 EFCDHM Cc1ccc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)c([O-])c1O ZINC000182890504 474279615 /nfs/dbraw/zinc/27/96/15/474279615.db2.gz RSONYXZYFANGFU-QGZVFWFLSA-N -1 3 327.380 2.650 20 10 EFCDHM CC(C)NC(=O)CN(C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182960471 474295479 /nfs/dbraw/zinc/29/54/79/474295479.db2.gz FQJGDAIRYSQKFK-UHFFFAOYSA-N -1 3 342.439 2.928 20 10 EFCDHM C[C@@H](N[C@H](C)c1ccc(Br)cc1[O-])c1ncn(C)n1 ZINC000275757574 474308615 /nfs/dbraw/zinc/30/86/15/474308615.db2.gz SORMBYANZQAQQE-RKDXNWHRSA-N -1 3 325.210 2.695 20 10 EFCDHM C[C@@H](N[C@H](C)c1cc(Br)ccc1[O-])c1ncn(C)n1 ZINC000275808233 474327084 /nfs/dbraw/zinc/32/70/84/474327084.db2.gz ZFXFGWCHKDHOEE-RKDXNWHRSA-N -1 3 325.210 2.695 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)[S@]1=O ZINC000289765476 474416225 /nfs/dbraw/zinc/41/62/25/474416225.db2.gz RBYWHRQUUFGMCJ-KEVGGSHVSA-N -1 3 346.290 2.886 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1nonc1C ZINC000266554956 474435832 /nfs/dbraw/zinc/43/58/32/474435832.db2.gz SWLKMCKTTUSNEL-UHFFFAOYSA-N -1 3 340.177 2.508 20 10 EFCDHM [O-]c1cccc(Cl)c1CNc1cccc(CN2CCOCC2)n1 ZINC000271208279 474442513 /nfs/dbraw/zinc/44/25/13/474442513.db2.gz GYLGTKOWCFTUPP-UHFFFAOYSA-N -1 3 333.819 2.885 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](C3(C)OCCO3)C2)c1[O-] ZINC000183892278 474443286 /nfs/dbraw/zinc/44/32/86/474443286.db2.gz MRARCIJGHKGDPX-CQSZACIVSA-N -1 3 337.391 2.709 20 10 EFCDHM Cc1nc(C2(NC(=O)c3ccc(C)c(O)c3[O-])CCCCC2)no1 ZINC000271274399 474469658 /nfs/dbraw/zinc/46/96/58/474469658.db2.gz MOJULJAZWQUQKU-UHFFFAOYSA-N -1 3 331.372 2.687 20 10 EFCDHM CN(C)C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000290117738 474558600 /nfs/dbraw/zinc/55/86/00/474558600.db2.gz LVTIQEOMRLEZLH-INIZCTEOSA-N -1 3 333.363 2.832 20 10 EFCDHM CCC[C@@]1(CO)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000290218177 474561504 /nfs/dbraw/zinc/56/15/04/474561504.db2.gz RISMQARRXIAPAR-OAHLLOKOSA-N -1 3 328.796 2.938 20 10 EFCDHM CCCOc1ccc(CN[C@@H](CC(F)(F)F)C(=O)OC)c([O-])c1 ZINC000276540842 474564946 /nfs/dbraw/zinc/56/49/46/474564946.db2.gz XRCYAUVDQXBZEZ-LBPRGKRZSA-N -1 3 335.322 2.765 20 10 EFCDHM CCCOc1ccc(CN[C@H](CC(F)(F)F)C(=O)OC)c([O-])c1 ZINC000276540838 474565226 /nfs/dbraw/zinc/56/52/26/474565226.db2.gz XRCYAUVDQXBZEZ-GFCCVEGCSA-N -1 3 335.322 2.765 20 10 EFCDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000276769539 474570571 /nfs/dbraw/zinc/57/05/71/474570571.db2.gz YDGCCZPJWPWKBG-HNNXBMFYSA-N -1 3 344.386 2.804 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[S@@](=O)C[C@H](C)C2)c1[O-] ZINC000277637746 474591606 /nfs/dbraw/zinc/59/16/06/474591606.db2.gz YEYLGYCXXNAOAG-GIGQVBGESA-N -1 3 346.290 2.664 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C1CCSCC1 ZINC000277651224 474591935 /nfs/dbraw/zinc/59/19/35/474591935.db2.gz DZLLHKUGRAZADP-UHFFFAOYSA-N -1 3 340.832 2.705 20 10 EFCDHM O=C1[C@H](NCc2cccc(Cl)c2[O-])CCN1Cc1ccccc1 ZINC000271916105 474598141 /nfs/dbraw/zinc/59/81/41/474598141.db2.gz YTZWMWNWTPKHTE-MRXNPFEDSA-N -1 3 330.815 2.936 20 10 EFCDHM COc1ccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)nc1 ZINC000271926486 474598349 /nfs/dbraw/zinc/59/83/49/474598349.db2.gz LKYOXZQRSJTGDP-GOSISDBHSA-N -1 3 328.412 2.977 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278229451 474603202 /nfs/dbraw/zinc/60/32/02/474603202.db2.gz MNAOYRJVHDRKNY-AWEZNQCLSA-N -1 3 331.372 2.985 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(OCC(C)(C)O)cc2)c([O-])c1O ZINC000272551954 474616606 /nfs/dbraw/zinc/61/66/06/474616606.db2.gz AZJVPXHVRXSNDZ-UHFFFAOYSA-N -1 3 331.368 2.808 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(CCCO)CC2)c1[O-] ZINC000272833725 474626211 /nfs/dbraw/zinc/62/62/11/474626211.db2.gz FZTABBMNGADZCI-UHFFFAOYSA-N -1 3 328.796 2.938 20 10 EFCDHM O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cccc(O)c1[O-] ZINC000291733509 474660913 /nfs/dbraw/zinc/66/09/13/474660913.db2.gz ARUGVECUJZREIG-GOSISDBHSA-N -1 3 339.391 2.922 20 10 EFCDHM COC(=O)[C@@H]1CC12CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000267469668 474672284 /nfs/dbraw/zinc/67/22/84/474672284.db2.gz WZLVLFHFEMNDOV-HNNXBMFYSA-N -1 3 335.375 2.509 20 10 EFCDHM COc1cc2c(cc1OC)CN(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000267595559 474675501 /nfs/dbraw/zinc/67/55/01/474675501.db2.gz ODTUASWLPHZOPT-UHFFFAOYSA-N -1 3 343.379 2.622 20 10 EFCDHM C[C@@H](NCc1nnc2n1CCC2)c1cc(Br)ccc1[O-] ZINC000273082848 474707374 /nfs/dbraw/zinc/70/73/74/474707374.db2.gz MQUPPPIECVZPEP-SECBINFHSA-N -1 3 337.221 2.543 20 10 EFCDHM CCCOc1ccc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000278674427 474769507 /nfs/dbraw/zinc/76/95/07/474769507.db2.gz LTZWCTCYSIVLAU-MRXNPFEDSA-N -1 3 341.473 2.580 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)OCCCO3)c1[O-] ZINC000293162748 474846863 /nfs/dbraw/zinc/84/68/63/474846863.db2.gz VQAMPWFEWJCOPO-UHFFFAOYSA-N -1 3 339.819 2.977 20 10 EFCDHM COc1c([O-])c(CNc2cccc3c2OCCO3)ccc1[N+](=O)[O-] ZINC000278854853 474875729 /nfs/dbraw/zinc/87/57/29/474875729.db2.gz LITKISVPBALISH-UHFFFAOYSA-N -1 3 332.312 2.692 20 10 EFCDHM C[C@@H](NCc1nnc2n1CCC2)c1ccc(Br)cc1[O-] ZINC000273441262 474899906 /nfs/dbraw/zinc/89/99/06/474899906.db2.gz YMBYHQYJTXVWRA-SECBINFHSA-N -1 3 337.221 2.543 20 10 EFCDHM COc1c([O-])c(CN[C@H]2CCc3c2cccc3O)ccc1[N+](=O)[O-] ZINC000278897418 474901698 /nfs/dbraw/zinc/90/16/98/474901698.db2.gz QQPYVQKRVLMRBZ-ZDUSSCGKSA-N -1 3 330.340 2.792 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273524552 474943740 /nfs/dbraw/zinc/94/37/40/474943740.db2.gz UXNYDYNGPUYYEZ-WDEREUQCSA-N -1 3 332.404 2.832 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000273524552 474943743 /nfs/dbraw/zinc/94/37/43/474943743.db2.gz UXNYDYNGPUYYEZ-WDEREUQCSA-N -1 3 332.404 2.832 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273524545 474944346 /nfs/dbraw/zinc/94/43/46/474944346.db2.gz UXNYDYNGPUYYEZ-MNOVXSKESA-N -1 3 332.404 2.832 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000273524545 474944349 /nfs/dbraw/zinc/94/43/49/474944349.db2.gz UXNYDYNGPUYYEZ-MNOVXSKESA-N -1 3 332.404 2.832 20 10 EFCDHM CN(Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCN(C)C1=O ZINC000273547584 474957747 /nfs/dbraw/zinc/95/77/47/474957747.db2.gz URIMCIHRJADJAD-SFHVURJKSA-N -1 3 340.423 2.634 20 10 EFCDHM COC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000279123440 474961053 /nfs/dbraw/zinc/96/10/53/474961053.db2.gz UYEHLDMXSGULNY-HUUCEWRRSA-N -1 3 327.808 2.532 20 10 EFCDHM COc1cc(C)c(CN(C)C(=O)c2cccc(O)c2[O-])cc1OC ZINC000279237886 474966821 /nfs/dbraw/zinc/96/68/21/474966821.db2.gz ZONQDRUHHOTRNI-UHFFFAOYSA-N -1 3 331.368 2.696 20 10 EFCDHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(O)c1[O-] ZINC000279525795 474978210 /nfs/dbraw/zinc/97/82/10/474978210.db2.gz KPLYLLDSAVPNKQ-CQSZACIVSA-N -1 3 329.352 2.908 20 10 EFCDHM O=C(CCCCNC(=O)c1cccc(O)c1[O-])OCc1ccccc1 ZINC000279894435 474999229 /nfs/dbraw/zinc/99/92/29/474999229.db2.gz TWRKQWICIHBUCA-UHFFFAOYSA-N -1 3 343.379 2.741 20 10 EFCDHM COc1cc(C)c([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000280310809 475019835 /nfs/dbraw/zinc/01/98/35/475019835.db2.gz XTVRDEOZEXSDPC-LLVKDONJSA-N -1 3 331.368 2.914 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000280465604 475027307 /nfs/dbraw/zinc/02/73/07/475027307.db2.gz MSANDCGRQDXZQU-LBPRGKRZSA-N -1 3 341.835 2.824 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000280468051 475027616 /nfs/dbraw/zinc/02/76/16/475027616.db2.gz MWCOMKGABZNXCW-PRXAMGSTSA-N -1 3 341.835 2.823 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000273734751 475034290 /nfs/dbraw/zinc/03/42/90/475034290.db2.gz KZNRVPAEQUEVRK-ZWNOBZJWSA-N -1 3 339.741 2.942 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H](C)C(C)(F)F ZINC000293587200 475041297 /nfs/dbraw/zinc/04/12/97/475041297.db2.gz WVFWHOHMVJBNCJ-VIFPVBQESA-N -1 3 349.761 2.839 20 10 EFCDHM Cc1ccc([C@H](NCc2ccccc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280646697 475041764 /nfs/dbraw/zinc/04/17/64/475041764.db2.gz JDVMTVPQCHJZBW-RDTXWAMCSA-N -1 3 333.453 2.965 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC3(CC2)OCCCO3)c1[O-] ZINC000293629317 475043473 /nfs/dbraw/zinc/04/34/73/475043473.db2.gz LGUZKLFOBBHAOT-UHFFFAOYSA-N -1 3 342.779 2.683 20 10 EFCDHM CNC(=O)CC[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286389665 475063320 /nfs/dbraw/zinc/06/33/20/475063320.db2.gz IWINXQZJMRPMGK-OAHLLOKOSA-N -1 3 336.407 2.615 20 10 EFCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OC)c(OC)c1 ZINC000287037791 475090082 /nfs/dbraw/zinc/09/00/82/475090082.db2.gz RDEJXJJNVYFMCA-ZDUSSCGKSA-N -1 3 331.368 2.996 20 10 EFCDHM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC000294925548 475091384 /nfs/dbraw/zinc/09/13/84/475091384.db2.gz GXQILLRVYLURRA-BZNIZROVSA-N -1 3 332.375 2.658 20 10 EFCDHM CC[C@H](NCc1cnnn1C)c1cc(Br)ccc1[O-] ZINC000287223952 475098912 /nfs/dbraw/zinc/09/89/12/475098912.db2.gz GEOAWPODYDDCTN-LBPRGKRZSA-N -1 3 325.210 2.524 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c([O-])c1O ZINC000292594921 475105942 /nfs/dbraw/zinc/10/59/42/475105942.db2.gz HMRRXRCCCGYHFB-CYBMUJFWSA-N -1 3 342.395 2.884 20 10 EFCDHM C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CN1Cc1ccccc1 ZINC000295164214 475109625 /nfs/dbraw/zinc/10/96/25/475109625.db2.gz QWKIQPUWHNRRSW-TZMCWYRMSA-N -1 3 344.386 2.630 20 10 EFCDHM Cc1ccc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c([O-])c1O ZINC000292631160 475126061 /nfs/dbraw/zinc/12/60/61/475126061.db2.gz JVLUSCMBKNXXOV-AWEZNQCLSA-N -1 3 331.368 2.821 20 10 EFCDHM C[C@H](NCC1(S(C)(=O)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000281230281 475126724 /nfs/dbraw/zinc/12/67/24/475126724.db2.gz UQSNEBVLNOLFGQ-QMMMGPOBSA-N -1 3 338.256 2.927 20 10 EFCDHM CC(C)=CCC[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000295693791 475131626 /nfs/dbraw/zinc/13/16/26/475131626.db2.gz UXFRPUBKYNECLA-LBPRGKRZSA-N -1 3 340.445 2.628 20 10 EFCDHM COc1cc(Cl)cc(CN2CCc3ccccc3[C@@H]2C(N)=O)c1[O-] ZINC000359956813 476276320 /nfs/dbraw/zinc/27/63/20/476276320.db2.gz FPMTYHFQYCSLFW-MRXNPFEDSA-N -1 3 346.814 2.639 20 10 EFCDHM COc1c([O-])c(CN[C@@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000364670937 476541170 /nfs/dbraw/zinc/54/11/70/476541170.db2.gz GENMGTDWHOCCSS-OAHLLOKOSA-N -1 3 343.383 2.585 20 10 EFCDHM Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)c2ccccc2)c([O-])c1O ZINC000374934659 476602795 /nfs/dbraw/zinc/60/27/95/476602795.db2.gz VJGSHFXKDCGOEH-INIZCTEOSA-N -1 3 337.379 2.659 20 10 EFCDHM COc1cc(Br)cc(CN2CCOC[C@@H](C)C2)c1[O-] ZINC000370187091 476688787 /nfs/dbraw/zinc/68/87/87/476688787.db2.gz VUEHXEPCHZPQJE-JTQLQIEISA-N -1 3 330.222 2.632 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000378349110 476695748 /nfs/dbraw/zinc/69/57/48/476695748.db2.gz NHARUCAHVVKHOM-LSDHHAIUSA-N -1 3 345.270 2.730 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000378349108 476696969 /nfs/dbraw/zinc/69/69/69/476696969.db2.gz NHARUCAHVVKHOM-GJZGRUSLSA-N -1 3 345.270 2.730 20 10 EFCDHM CC(C)OC[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000372125075 477653073 /nfs/dbraw/zinc/65/30/73/477653073.db2.gz ZNCHIONNTZVLLJ-AWEZNQCLSA-N -1 3 344.249 2.781 20 10 EFCDHM Cc1ccc([C@H](C)NC(c2nccn2C)c2nccn2C)c([O-])c1 ZINC000527945789 478579028 /nfs/dbraw/zinc/57/90/28/478579028.db2.gz LRWYGORHWUYFCZ-ZDUSSCGKSA-N -1 3 325.416 2.608 20 10 EFCDHM COCCc1noc(CC2CCN(Cc3cccc(F)c3[O-])CC2)n1 ZINC000529642859 479233658 /nfs/dbraw/zinc/23/36/58/479233658.db2.gz ONTRAUHLYZRPDL-UHFFFAOYSA-N -1 3 349.406 2.558 20 10 EFCDHM CC(=O)N1Cc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2C1 ZINC000364700153 534830575 /nfs/dbraw/zinc/83/05/75/534830575.db2.gz ASIJJQBJMWIMGC-UHFFFAOYSA-N -1 3 326.352 2.521 20 10 EFCDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1[O-] ZINC000299143826 526680424 /nfs/dbraw/zinc/68/04/24/526680424.db2.gz INBIXQQWGCEGPY-UHFFFAOYSA-N -1 3 340.423 2.531 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nc(C)no3)C2)c1[O-] ZINC000177263063 527210840 /nfs/dbraw/zinc/21/08/40/527210840.db2.gz WQKUCCJWPLNXBE-LBPRGKRZSA-N -1 3 333.363 2.805 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCOC1 ZINC000175842729 528764315 /nfs/dbraw/zinc/76/43/15/528764315.db2.gz YDZLVSSYPGOWJP-NSHDSACASA-N -1 3 342.233 2.930 20 10 EFCDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(N)cc3)c2)n1 ZINC000237111097 536091644 /nfs/dbraw/zinc/09/16/44/536091644.db2.gz CKYMODDQELGVEX-UHFFFAOYSA-N -1 3 348.406 2.763 20 10 EFCDHM COc1c([O-])c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886614 536861604 /nfs/dbraw/zinc/86/16/04/536861604.db2.gz LBXYCRBHMVMBNT-RHSMWYFYSA-N -1 3 348.399 2.843 20 10 EFCDHM COc1c([O-])c(CN2CCC(OCC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000365805447 536862560 /nfs/dbraw/zinc/86/25/60/536862560.db2.gz KIVJTUFNQPDSEL-UHFFFAOYSA-N -1 3 336.388 2.700 20 10 EFCDHM C[C@@H](c1ccccc1)N(Cc1nc(=O)n(C)[n-]1)Cc1ccccc1O ZINC000754082723 575387327 /nfs/dbraw/zinc/38/73/27/575387327.db2.gz QMGPAIUQFWRKHX-AWEZNQCLSA-N -1 3 338.411 2.577 20 10 EFCDHM Cc1ccc(-n2cnc3c2CCN(C(=O)c2cccc(O)c2[O-])C3)cc1 ZINC000754701500 575474050 /nfs/dbraw/zinc/47/40/50/575474050.db2.gz XZKOKTCCDUAYQH-UHFFFAOYSA-N -1 3 349.390 2.790 20 10 EFCDHM O=C([O-])c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000756281682 575712003 /nfs/dbraw/zinc/71/20/03/575712003.db2.gz IXDJJXNAMZNVKO-UHFFFAOYSA-N -1 3 344.386 2.650 20 10 EFCDHM CCNC(=O)[C@H](C)N[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756355480 575722282 /nfs/dbraw/zinc/72/22/82/575722282.db2.gz ORTPACCNMMFAJE-SFYZADRCSA-N -1 3 349.656 2.983 20 10 EFCDHM C[C@@H](NCc1cccnc1N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756391426 575729609 /nfs/dbraw/zinc/72/96/09/575729609.db2.gz CEGKNJZPWYCAJF-GFCCVEGCSA-N -1 3 349.381 2.753 20 10 EFCDHM COCCOc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756433127 575738439 /nfs/dbraw/zinc/73/84/39/575738439.db2.gz NHICZQGWUUHLSZ-LBPRGKRZSA-N -1 3 347.371 2.571 20 10 EFCDHM C[C@@H](NC[C@@H](O)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756449138 575741495 /nfs/dbraw/zinc/74/14/95/575741495.db2.gz ITGKMFPDVFCISG-MLUIRONXSA-N -1 3 346.118 2.868 20 10 EFCDHM CCN(CC)C(=O)CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000756460288 575742614 /nfs/dbraw/zinc/74/26/14/575742614.db2.gz ZISNYOHKLAKVBI-SNVBAGLBSA-N -1 3 329.238 2.674 20 10 EFCDHM C[C@@H](N[C@@H]1CCCN(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756637878 575771553 /nfs/dbraw/zinc/77/15/53/575771553.db2.gz KLIVIHCQXPHRFG-PRHODGIISA-N -1 3 345.212 2.565 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000756672751 575775473 /nfs/dbraw/zinc/77/54/73/575775473.db2.gz QWKFBXDUUVIFIN-LLVKDONJSA-N -1 3 330.340 2.938 20 10 EFCDHM C[C@H](NCc1ccc([S@](C)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756737849 575782760 /nfs/dbraw/zinc/78/27/60/575782760.db2.gz CJWNILYGVLVYMP-RULNZOCKSA-N -1 3 334.397 2.889 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc([S@](C)=O)cc2)c1 ZINC000756738943 575782817 /nfs/dbraw/zinc/78/28/17/575782817.db2.gz IJKDPDHFRYWTSX-MCFWBGNESA-N -1 3 347.436 2.767 20 10 EFCDHM C[C@@H](NC[C@@H](O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756742163 575783221 /nfs/dbraw/zinc/78/32/21/575783221.db2.gz ZXDIEEQPPMKSBS-RFAUZJTJSA-N -1 3 338.310 2.963 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cncnc1 ZINC000760911218 576087107 /nfs/dbraw/zinc/08/71/07/576087107.db2.gz OGPSNDSGPKGNID-UHFFFAOYSA-N -1 3 336.189 2.607 20 10 EFCDHM Cc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cn1 ZINC000761058876 576107307 /nfs/dbraw/zinc/10/73/07/576107307.db2.gz ALHLUFGAWPYGHB-UHFFFAOYSA-N -1 3 345.786 2.713 20 10 EFCDHM CCOc1ccc(CN2CCNC(=O)[C@H]2c2ccccc2C)c([O-])c1 ZINC000761226430 576132619 /nfs/dbraw/zinc/13/26/19/576132619.db2.gz PZFNZWKZZXYGOP-LJQANCHMSA-N -1 3 340.423 2.772 20 10 EFCDHM CCOc1ccc(CN2CCNC(=O)[C@@H]2c2ccccc2C)c([O-])c1 ZINC000761226427 576132635 /nfs/dbraw/zinc/13/26/35/576132635.db2.gz PZFNZWKZZXYGOP-IBGZPJMESA-N -1 3 340.423 2.772 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@H]1CCCS1 ZINC000761348954 576149726 /nfs/dbraw/zinc/14/97/26/576149726.db2.gz CHDWTDNHSMOCKV-GFCCVEGCSA-N -1 3 340.832 2.705 20 10 EFCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000762549689 576312068 /nfs/dbraw/zinc/31/20/68/576312068.db2.gz NRLPLLSHQHUQEA-NSHDSACASA-N -1 3 340.445 2.973 20 10 EFCDHM O=C1N[C@@H](c2cc(-c3ccccc3)ccc2[O-])N2CCSC[C@H]12 ZINC000765514569 577049580 /nfs/dbraw/zinc/04/95/80/577049580.db2.gz DFCFBSJDOLXNBR-NVXWUHKLSA-N -1 3 326.421 2.605 20 10 EFCDHM CCOc1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c([O-])c1 ZINC000765655772 577063149 /nfs/dbraw/zinc/06/31/49/577063149.db2.gz GQBGDAQDAKNXML-KRWDZBQOSA-N -1 3 349.452 2.666 20 10 EFCDHM C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765770887 577074765 /nfs/dbraw/zinc/07/47/65/577074765.db2.gz RUZCMJSARLUVQO-QWRGUYRKSA-N -1 3 341.249 2.644 20 10 EFCDHM CN(C)C(=O)C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000725846266 577247055 /nfs/dbraw/zinc/24/70/55/577247055.db2.gz APXQCXZWLOMIRU-INIZCTEOSA-N -1 3 343.383 2.610 20 10 EFCDHM Cn1cccc1C(=O)N1CCN(Cc2c([O-])ccc3ccccc32)CC1 ZINC000768220317 577261264 /nfs/dbraw/zinc/26/12/64/577261264.db2.gz NPWIVFACJGUJGS-UHFFFAOYSA-N -1 3 349.434 2.842 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@@H](c3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000768452089 577274997 /nfs/dbraw/zinc/27/49/97/577274997.db2.gz OHEBIKREPHSTDS-PKOBYXMFSA-N -1 3 345.370 2.531 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@H](c3cccc(F)c3)C1)[C@H](O)CO2 ZINC000768452087 577275021 /nfs/dbraw/zinc/27/50/21/577275021.db2.gz OHEBIKREPHSTDS-MJGOQNOKSA-N -1 3 345.370 2.531 20 10 EFCDHM [O-]c1cc2c(cc1CNC1(c3nccs3)CCCC1)[C@@H](O)CO2 ZINC000768465638 577276289 /nfs/dbraw/zinc/27/62/89/577276289.db2.gz OAHDAIJCVNIANY-AWEZNQCLSA-N -1 3 332.425 2.834 20 10 EFCDHM COc1cccc([O-])c1CN1CCN([C@H](C)c2nccs2)CC1 ZINC000768529432 577280728 /nfs/dbraw/zinc/28/07/28/577280728.db2.gz WVNZABJLBZXKES-CYBMUJFWSA-N -1 3 333.457 2.736 20 10 EFCDHM CCOc1ccc(CN2CCN(Cc3c(C)noc3C)CC2)c([O-])c1 ZINC000768815253 577305500 /nfs/dbraw/zinc/30/55/00/577305500.db2.gz MLNQJLNFEPGUDQ-UHFFFAOYSA-N -1 3 345.443 2.714 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](n3ccnc3)C2)c1[O-] ZINC000769313352 577351282 /nfs/dbraw/zinc/35/12/82/577351282.db2.gz SVGPACASKYVUIU-CYBMUJFWSA-N -1 3 336.779 2.987 20 10 EFCDHM CCOc1ccc(CN2CCN(c3cc(OC)ccn3)CC2)c([O-])c1 ZINC000769331072 577352902 /nfs/dbraw/zinc/35/29/02/577352902.db2.gz BXZHDMYMXIAIPX-UHFFFAOYSA-N -1 3 343.427 2.517 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCN(C2CCC2)CC1 ZINC000769413496 577360826 /nfs/dbraw/zinc/36/08/26/577360826.db2.gz SCDFGGMSHAOGEY-UHFFFAOYSA-N -1 3 325.250 2.825 20 10 EFCDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000769467367 577364602 /nfs/dbraw/zinc/36/46/02/577364602.db2.gz VPYPRSPZISYDDK-AWEZNQCLSA-N -1 3 327.808 2.588 20 10 EFCDHM COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1cc(C)cc(C)c1 ZINC000769631315 577376139 /nfs/dbraw/zinc/37/61/39/577376139.db2.gz WQNRRYUVXHNUGB-HNNXBMFYSA-N -1 3 343.379 2.667 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H]2NC(=O)c3cc(Cl)ccc3N2)c1 ZINC000726796820 577386912 /nfs/dbraw/zinc/38/69/12/577386912.db2.gz ILVFGRPDLLRIDE-CQSZACIVSA-N -1 3 332.743 2.686 20 10 EFCDHM CCOc1ccc(CN2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000770384180 577414279 /nfs/dbraw/zinc/41/42/79/577414279.db2.gz WJVUDWUONLRBRH-UHFFFAOYSA-N -1 3 326.396 2.593 20 10 EFCDHM COC(=O)C[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(F)cc1 ZINC000770486986 577421162 /nfs/dbraw/zinc/42/11/62/577421162.db2.gz MHJJEAGQZSDURW-AWEZNQCLSA-N -1 3 347.342 2.580 20 10 EFCDHM Cc1ncoc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771053642 581169280 /nfs/dbraw/zinc/16/92/80/581169280.db2.gz PCEBIWWAFSNVDL-CQSZACIVSA-N -1 3 349.818 2.736 20 10 EFCDHM CC[C@@H](OC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771053678 581169320 /nfs/dbraw/zinc/16/93/20/581169320.db2.gz PPCKZHAYFIRINW-GOEBONIOSA-N -1 3 340.851 2.551 20 10 EFCDHM CCN1CCN(c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)CC1 ZINC000771638044 581229197 /nfs/dbraw/zinc/22/91/97/581229197.db2.gz XQQSRRSGKPVGGF-UHFFFAOYSA-N -1 3 343.402 2.926 20 10 EFCDHM CCOc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)OC)c([O-])c1 ZINC000771924485 581260217 /nfs/dbraw/zinc/26/02/17/581260217.db2.gz JAGXVUYEKVXWMJ-SFHVURJKSA-N -1 3 341.407 2.891 20 10 EFCDHM COc1c([O-])c([C@@H]2NC(=O)c3cc(Cl)ccc3N2)ccc1[N+](=O)[O-] ZINC000772178216 581292664 /nfs/dbraw/zinc/29/26/64/581292664.db2.gz NWIYWPGIRNPUNX-AWEZNQCLSA-N -1 3 349.730 2.817 20 10 EFCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000772931924 581381859 /nfs/dbraw/zinc/38/18/59/581381859.db2.gz JFFATGQCJNFZNX-MNOVXSKESA-N -1 3 340.445 2.924 20 10 EFCDHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1ccc(N(C)C)cc1 ZINC000773084321 581394899 /nfs/dbraw/zinc/39/48/99/581394899.db2.gz OYVPTHRRZMKNGR-LLVKDONJSA-N -1 3 340.470 2.862 20 10 EFCDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773082772 581394989 /nfs/dbraw/zinc/39/49/89/581394989.db2.gz ALGKNRSGUODNID-LBPRGKRZSA-N -1 3 349.412 2.700 20 10 EFCDHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773084890 581395302 /nfs/dbraw/zinc/39/53/02/581395302.db2.gz UHRPPKXJGZPPKM-SNVBAGLBSA-N -1 3 339.486 2.865 20 10 EFCDHM C[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000773908999 581473346 /nfs/dbraw/zinc/47/33/46/581473346.db2.gz ZHYVZVPNCOCAMN-RNEAKCBISA-N -1 3 335.407 2.714 20 10 EFCDHM Cc1ccc(C(=O)NCc2nc3cccc(Cl)c3n2C)c([O-])c1O ZINC000774758555 581500133 /nfs/dbraw/zinc/50/01/33/581500133.db2.gz LSSYWBQRLSXWGK-UHFFFAOYSA-N -1 3 345.786 2.876 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@H]2c2cc(C)no2)ccc1[N+](=O)[O-] ZINC000774839193 581502152 /nfs/dbraw/zinc/50/21/52/581502152.db2.gz BQGSOUWBAAVJAQ-LBPRGKRZSA-N -1 3 333.344 2.943 20 10 EFCDHM COc1c([O-])c(CNc2cccc([S@@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000774934816 581504562 /nfs/dbraw/zinc/50/45/62/581504562.db2.gz TUBNPLTXDRKOTN-HSZRJFAPSA-N -1 3 336.369 2.659 20 10 EFCDHM CN(C)c1ccc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736774676 598386114 /nfs/dbraw/zinc/38/61/14/598386114.db2.gz XCYOTBPJJNVDKN-UHFFFAOYSA-N -1 3 343.822 2.618 20 10 EFCDHM CN(C)c1ccc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736774676 598386117 /nfs/dbraw/zinc/38/61/17/598386117.db2.gz XCYOTBPJJNVDKN-UHFFFAOYSA-N -1 3 343.822 2.618 20 10 EFCDHM CC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000828664710 601432248 /nfs/dbraw/zinc/43/22/48/601432248.db2.gz GLMSNNRAHCVDPW-CQSZACIVSA-N -1 3 346.221 2.896 20 10 EFCDHM CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000833584882 605360908 /nfs/dbraw/zinc/36/09/08/605360908.db2.gz SSJOESDUBLFXNY-HOTGVXAUSA-N -1 3 347.411 2.521 20 10 EFCDHM CC1=C(C(=O)[O-])C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000833584882 605360913 /nfs/dbraw/zinc/36/09/13/605360913.db2.gz SSJOESDUBLFXNY-HOTGVXAUSA-N -1 3 347.411 2.521 20 10 EFCDHM CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC)c(O)c1 ZINC000825638888 609480407 /nfs/dbraw/zinc/48/04/07/609480407.db2.gz QNQGTBCABUHMFU-UHFFFAOYSA-N -1 3 341.371 2.592 20 10 EFCDHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cccc(O)c1[O-] ZINC000187215641 1265486830 /nfs/dbraw/zinc/48/68/30/1265486830.db2.gz HQXRDXMNANPJEZ-GFCCVEGCSA-N -1 3 330.359 2.636 20 10 EFCDHM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cccc(O)c1[O-] ZINC000187215620 1265487054 /nfs/dbraw/zinc/48/70/54/1265487054.db2.gz HQXRDXMNANPJEZ-LBPRGKRZSA-N -1 3 330.359 2.636 20 10 EFCDHM CCn1cc(CN[C@@H](C)c2cc(Br)ccc2[O-])nn1 ZINC000850522183 1250520367 /nfs/dbraw/zinc/52/03/67/1250520367.db2.gz HAPHOTFOIYGXER-VIFPVBQESA-N -1 3 325.210 2.617 20 10 EFCDHM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001273206945 1263354578 /nfs/dbraw/zinc/35/45/78/1263354578.db2.gz UBGWSTXUIIXKMV-HZPDHXFCSA-N -1 3 338.398 2.892 20 10 EFCDHM COC(=O)c1ccc(CNCc2cccc(Br)c2[O-])o1 ZINC000734159761 1266893724 /nfs/dbraw/zinc/89/37/24/1266893724.db2.gz INMPVXKCPAVBTB-UHFFFAOYSA-N -1 3 340.173 2.824 20 10 EFCDHM CCN(Cc1cc(Cl)c(C)cc1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000824814345 1278297363 /nfs/dbraw/zinc/29/73/63/1278297363.db2.gz PPPLNROSIVOAFL-LBPRGKRZSA-N -1 3 333.881 2.999 20 10 EFCDHM Cc1cc([O-])c(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1Cl ZINC000824850108 1278314519 /nfs/dbraw/zinc/31/45/19/1278314519.db2.gz JPGJQQAZAVBESX-OAHLLOKOSA-N -1 3 341.835 2.897 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)N1CCO ZINC000824925698 1278355906 /nfs/dbraw/zinc/35/59/06/1278355906.db2.gz CVYIQDQYGHUAPH-PHIMTYICSA-N -1 3 333.259 2.586 20 10 EFCDHM O=C(NCc1ccc(OC2CCCC2)nc1)c1cccc(O)c1[O-] ZINC000186963434 1268543946 /nfs/dbraw/zinc/54/39/46/1268543946.db2.gz ARBMFBRVRIAIRY-UHFFFAOYSA-N -1 3 328.368 2.744 20 10 EFCDHM CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]2COC[C@@H]21 ZINC000825332427 1278509946 /nfs/dbraw/zinc/50/99/46/1278509946.db2.gz WMWDHZJYRPVTEI-WCQYABFASA-N -1 3 326.780 2.811 20 10 EFCDHM CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(Br)ccc1[O-] ZINC000742439055 1270064077 /nfs/dbraw/zinc/06/40/77/1270064077.db2.gz HIJOCWIHMIJSTL-LBPRGKRZSA-N -1 3 325.206 2.528 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000792170719 1278609687 /nfs/dbraw/zinc/60/96/87/1278609687.db2.gz WGMMGFLLEYHSQZ-LBPRGKRZSA-N -1 3 329.799 2.955 20 10 EFCDHM COc1ccc(CN2CCN(Cc3c([O-])cccc3F)CC2)cc1 ZINC001137837725 1274096670 /nfs/dbraw/zinc/09/66/70/1274096670.db2.gz SBUXQZUZRXYAAG-UHFFFAOYSA-N -1 3 330.403 2.858 20 10 EFCDHM CCc1nnc(CNCc2c([O-])cccc2Br)s1 ZINC000706831527 1275040847 /nfs/dbraw/zinc/04/08/47/1275040847.db2.gz GHPKVPLMMMYCSF-UHFFFAOYSA-N -1 3 328.235 2.858 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCO[C@H](C(F)(F)F)C1 ZINC000707129778 1275336595 /nfs/dbraw/zinc/33/65/95/1275336595.db2.gz NMPVGFGQCZUOKN-NSHDSACASA-N -1 3 340.139 2.918 20 10 EFCDHM C[C@@H](NCc1nnnn1CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788755306 1276290316 /nfs/dbraw/zinc/29/03/16/1276290316.db2.gz RNOCIJAVNARWEL-SECBINFHSA-N -1 3 341.337 2.658 20 10 EFCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000818182381 1276499063 /nfs/dbraw/zinc/49/90/63/1276499063.db2.gz JVCQPSYKEZWJOH-AWEZNQCLSA-N -1 3 333.306 2.670 20 10 EFCDHM COc1cccc(C[C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000790558225 1277645139 /nfs/dbraw/zinc/64/51/39/1277645139.db2.gz UDJURIQGJMHTCZ-AWEZNQCLSA-N -1 3 327.380 2.954 20 10 EFCDHM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(O)c1[O-] ZINC000790708762 1277736274 /nfs/dbraw/zinc/73/62/74/1277736274.db2.gz YGWSMJYRDULCDA-UHFFFAOYSA-N -1 3 330.315 2.616 20 10 EFCDHM O=C(Nc1nc2cc(Br)ccc2[nH]1)c1cccc(O)c1[O-] ZINC000790808892 1277761202 /nfs/dbraw/zinc/76/12/02/1277761202.db2.gz WFNPVNOQELFKON-UHFFFAOYSA-N -1 3 348.156 2.989 20 10 EFCDHM COC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1 ZINC000790823035 1277798777 /nfs/dbraw/zinc/79/87/77/1277798777.db2.gz SKEAPMRREASGKY-ZDUSSCGKSA-N -1 3 349.770 2.785 20 10 EFCDHM COCCOc1ccc(CNCc2c([O-])ccc(Cl)c2F)cn1 ZINC000790949216 1277872729 /nfs/dbraw/zinc/87/27/29/1277872729.db2.gz KWPQUJJQNGQESS-UHFFFAOYSA-N -1 3 340.782 2.895 20 10 EFCDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])cc(-n2cccn2)c1 ZINC000792629281 1279030567 /nfs/dbraw/zinc/03/05/67/1279030567.db2.gz HHXOAWRIIQUWAU-UHFFFAOYSA-N -1 3 339.351 2.853 20 10 EFCDHM COc1ccc(N(C)CCN(C)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000844851814 1279310693 /nfs/dbraw/zinc/31/06/93/1279310693.db2.gz HVLZQGURQUXNSD-UHFFFAOYSA-N -1 3 344.411 2.618 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CCN(C2CCC2)CC1 ZINC001144299516 1279386225 /nfs/dbraw/zinc/38/62/25/1279386225.db2.gz ZBKUQUHPTPWQBV-UHFFFAOYSA-N -1 3 343.240 2.964 20 10 EFCDHM C[C@H]1CC[C@@H](CO)CN1Cc1cc(Br)c(F)cc1[O-] ZINC001144299147 1279387036 /nfs/dbraw/zinc/38/70/36/1279387036.db2.gz QKMCUOCROFXNPV-VHSXEESVSA-N -1 3 332.213 2.887 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c([O-])c1O ZINC000794361474 1280148362 /nfs/dbraw/zinc/14/83/62/1280148362.db2.gz VWMCHZNERKRKQW-UHFFFAOYSA-N -1 3 344.367 2.545 20 10 EFCDHM CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000846510619 1280213864 /nfs/dbraw/zinc/21/38/64/1280213864.db2.gz LWSAYBKHFKKOGW-LBPRGKRZSA-N -1 3 335.400 2.824 20 10 EFCDHM CC(C)(C)c1cnn2cc(NC(=O)c3cccc(O)c3[O-])cnc12 ZINC001148212374 1281453758 /nfs/dbraw/zinc/45/37/58/1281453758.db2.gz YLMWNOBQTYZUGY-UHFFFAOYSA-N -1 3 326.356 2.690 20 10 EFCDHM COc1ccc(Br)c(NC(=O)c2cccc(O)c2[O-])n1 ZINC001148212009 1281454134 /nfs/dbraw/zinc/45/41/34/1281454134.db2.gz HUMAGDHFBVJFES-UHFFFAOYSA-N -1 3 339.145 2.516 20 10 EFCDHM O=C(Nc1ccc2c(Br)n[nH]c2c1)c1cccc(O)c1[O-] ZINC001148218734 1281456609 /nfs/dbraw/zinc/45/66/09/1281456609.db2.gz JEIKXTCKQPPOAV-UHFFFAOYSA-N -1 3 348.156 2.989 20 10 EFCDHM CC(C)CC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC001148224824 1281460441 /nfs/dbraw/zinc/46/04/41/1281460441.db2.gz WBNQTYYYDNWKSM-ZDUSSCGKSA-N -1 3 337.416 2.974 20 10 EFCDHM CCC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OCc1ccccc1 ZINC001148224107 1281460753 /nfs/dbraw/zinc/46/07/53/1281460753.db2.gz CCXUWRFRFKVFLN-OAHLLOKOSA-N -1 3 343.379 2.740 20 10 EFCDHM O=C(Nc1cc(F)c(Cl)nc1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148582092 1281658845 /nfs/dbraw/zinc/65/88/45/1281658845.db2.gz WMPHMLMWHAUWKC-UHFFFAOYSA-N -1 3 333.102 2.897 20 10 EFCDHM CCN(C(=O)c1cc(O)c([O-])c(O)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001148581340 1281659267 /nfs/dbraw/zinc/65/92/67/1281659267.db2.gz QJAYNCWDNXBHQK-GFCCVEGCSA-N -1 3 345.395 2.905 20 10 EFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001148584118 1281661032 /nfs/dbraw/zinc/66/10/32/1281661032.db2.gz ORYYEUOZROVJJV-UHFFFAOYSA-N -1 3 342.326 2.622 20 10 EFCDHM Cc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1OC(F)F ZINC001148586368 1281662090 /nfs/dbraw/zinc/66/20/90/1281662090.db2.gz LPNYQKBTBCTIHF-UHFFFAOYSA-N -1 3 325.267 2.966 20 10 EFCDHM COc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)cc2cccnc21 ZINC001148585890 1281662146 /nfs/dbraw/zinc/66/21/46/1281662146.db2.gz CRPDXZVJWGMORD-UHFFFAOYSA-N -1 3 326.308 2.613 20 10 EFCDHM Cc1cn(-c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2F)cn1 ZINC001148586085 1281663142 /nfs/dbraw/zinc/66/31/42/1281663142.db2.gz IBSJPDOETJKCNJ-UHFFFAOYSA-N -1 3 343.314 2.689 20 10 EFCDHM CNC(=O)OC[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000809779167 1282480250 /nfs/dbraw/zinc/48/02/50/1282480250.db2.gz FTJISIZZIHCZBF-SNVBAGLBSA-N -1 3 330.787 2.895 20 10 EFCDHM CC[C@@H](NCc1nnnn1C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227072 1283056016 /nfs/dbraw/zinc/05/60/16/1283056016.db2.gz QRAZTEASXYMSAI-GFCCVEGCSA-N -1 3 341.337 2.973 20 10 EFCDHM Cc1nnc([C@H](C)NCc2cc(Br)cc(F)c2[O-])[nH]1 ZINC000715718455 1284314146 /nfs/dbraw/zinc/31/41/46/1284314146.db2.gz NMJHIUNBYYXZQM-LURJTMIESA-N -1 3 329.173 2.571 20 10 EFCDHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000813368334 1285862089 /nfs/dbraw/zinc/86/20/89/1285862089.db2.gz FIVDCWDKEXFWFH-UHFFFAOYSA-N -1 3 338.367 2.856 20 10 EFCDHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000813368334 1285862100 /nfs/dbraw/zinc/86/21/00/1285862100.db2.gz FIVDCWDKEXFWFH-UHFFFAOYSA-N -1 3 338.367 2.856 20 10 EFCDHM O=C(NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)C1CC1 ZINC000816484036 1288154807 /nfs/dbraw/zinc/15/48/07/1288154807.db2.gz NNYBRIBUCQCGLV-UHFFFAOYSA-N -1 3 326.799 2.675 20 10 EFCDHM CC(C)OCCN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816514208 1288183366 /nfs/dbraw/zinc/18/33/66/1288183366.db2.gz PNXRWXBRFCFBLK-UHFFFAOYSA-N -1 3 330.831 2.727 20 10 EFCDHM O=S(=O)(CCNCc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000816537788 1288196794 /nfs/dbraw/zinc/19/67/94/1288196794.db2.gz SFYSFEQRFCJCPI-UHFFFAOYSA-N -1 3 343.807 2.748 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816914579 1288330372 /nfs/dbraw/zinc/33/03/72/1288330372.db2.gz WQRSLKMKZBBTFT-UHFFFAOYSA-N -1 3 327.384 2.818 20 10 EFCDHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000817356369 1288548101 /nfs/dbraw/zinc/54/81/01/1288548101.db2.gz JZVJCNOUJZZMLK-GFCCVEGCSA-N -1 3 333.475 2.917 20 10 EFCDHM CCOC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])C1CCOCC1 ZINC000825671080 1289698690 /nfs/dbraw/zinc/69/86/90/1289698690.db2.gz FLLUPRKZOHFSNV-INIZCTEOSA-N -1 3 341.835 2.802 20 10 EFCDHM CC(C)COC(=O)[C@H](C)NCc1ccc(Br)cc1[O-] ZINC000825671729 1289702394 /nfs/dbraw/zinc/70/23/94/1289702394.db2.gz NIAUITGOCIEHKO-JTQLQIEISA-N -1 3 330.222 2.832 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(C(=O)N3CCCC3)CC2)cc1Cl ZINC000824541516 1289709598 /nfs/dbraw/zinc/70/95/98/1289709598.db2.gz BGQUOEAVDHODIC-UHFFFAOYSA-N -1 3 337.851 2.687 20 10 EFCDHM Cc1cc([O-])c(CN(C)Cc2ncnn2CC(F)F)cc1Cl ZINC000825726956 1290261814 /nfs/dbraw/zinc/26/18/14/1290261814.db2.gz ZZSTZIMWVWPKCE-UHFFFAOYSA-N -1 3 330.766 2.843 20 10 EFCDHM C[C@@H]1OCC[C@]12CN(Cc1ccc(Br)cc1[O-])CCO2 ZINC000825738652 1290263205 /nfs/dbraw/zinc/26/32/05/1290263205.db2.gz RDEFZAXHVNPFPN-NHYWBVRUSA-N -1 3 342.233 2.535 20 10 EFCDHM O=C(CC(=O)C(F)(F)F)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001184465516 1290465868 /nfs/dbraw/zinc/46/58/68/1290465868.db2.gz PWOZIFDNGLZGAL-UHFFFAOYSA-N -1 3 346.692 2.732 20 10 EFCDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1c([O-])cccc1O ZINC000125696815 1290747591 /nfs/dbraw/zinc/74/75/91/1290747591.db2.gz UYYWWQSTCRDHFP-UHFFFAOYSA-N -1 3 344.436 2.581 20 10 EFCDHM CN(Cc1ccc(I)cc1[O-])CC(F)(F)F ZINC001232974409 1312823022 /nfs/dbraw/zinc/82/30/22/1312823022.db2.gz NBHLMAOSBSLFSR-UHFFFAOYSA-N -1 3 345.102 2.991 20 10 EFCDHM COc1c([O-])c(CNc2cnc3c(c2)c(C)nn3C)ccc1[N+](=O)[O-] ZINC000775057866 1291037001 /nfs/dbraw/zinc/03/70/01/1291037001.db2.gz UXMWRTZISSXTNP-UHFFFAOYSA-N -1 3 343.343 2.511 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCCN(CC(F)F)CC1 ZINC000825927533 1291100407 /nfs/dbraw/zinc/10/04/07/1291100407.db2.gz DZIJOVGLKAQWFE-UHFFFAOYSA-N -1 3 349.219 2.928 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000093817722 1291218357 /nfs/dbraw/zinc/21/83/57/1291218357.db2.gz RDUVBTSMCKBEKD-GFCCVEGCSA-N -1 3 345.270 2.853 20 10 EFCDHM CCN(CC)C(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079806 1312850438 /nfs/dbraw/zinc/85/04/38/1312850438.db2.gz LBRZCXNUVXOXFS-UHFFFAOYSA-N -1 3 341.402 2.686 20 10 EFCDHM COc1ccnc(O[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)c1 ZINC001233079359 1312850903 /nfs/dbraw/zinc/85/09/03/1312850903.db2.gz AMCPIGJTIMOKOL-ZDUSSCGKSA-N -1 3 336.338 2.727 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)[C@H](C)C2)cc1Br ZINC001233134685 1312862973 /nfs/dbraw/zinc/86/29/73/1312862973.db2.gz BIISGYCXBXFQJC-SNVBAGLBSA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(CN2CC(OC(C)C)C2)cc1Br ZINC001233141059 1312865434 /nfs/dbraw/zinc/86/54/34/1312865434.db2.gz DLBUZYRNNMOZGJ-UHFFFAOYSA-N -1 3 330.222 2.773 20 10 EFCDHM COc1cc(O)ccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189824906 1291883202 /nfs/dbraw/zinc/88/32/02/1291883202.db2.gz QBPZEDKPLFPSTH-UHFFFAOYSA-N -1 3 329.324 2.621 20 10 EFCDHM C[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C[C@@]1(O)C(F)(F)F ZINC001233332551 1312904881 /nfs/dbraw/zinc/90/48/81/1312904881.db2.gz PBQCOCBHCPFMDA-OQPBUACISA-N -1 3 325.277 2.806 20 10 EFCDHM CC(C)C(=O)N1CC[C@H]2CN(Cc3c([O-])ccc(F)c3F)CC[C@@H]21 ZINC001233334135 1312906164 /nfs/dbraw/zinc/90/61/64/1312906164.db2.gz VQWRCTWSNKBALU-WFASDCNBSA-N -1 3 338.398 2.749 20 10 EFCDHM [O-]c1c(CN2CCN(c3cccnn3)CC2)cccc1C(F)(F)F ZINC001233418621 1312928833 /nfs/dbraw/zinc/92/88/33/1312928833.db2.gz OVWZHRHLVUXIOH-UHFFFAOYSA-N -1 3 338.333 2.523 20 10 EFCDHM COCCCN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418758 1312928995 /nfs/dbraw/zinc/92/89/95/1312928995.db2.gz VBIMGMVEWDKOIF-UHFFFAOYSA-N -1 3 332.366 2.565 20 10 EFCDHM CC(C)(C)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1=O ZINC001233454838 1312935126 /nfs/dbraw/zinc/93/51/26/1312935126.db2.gz LSLFDVHINVPTCO-UHFFFAOYSA-N -1 3 330.350 2.854 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1C[C@@H](CO)CC(F)(F)C1 ZINC001203636298 1312977267 /nfs/dbraw/zinc/97/72/67/1312977267.db2.gz SSUDPLNKABAROM-VIFPVBQESA-N -1 3 336.176 2.604 20 10 EFCDHM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Br)ccc1[O-] ZINC001203639707 1312977936 /nfs/dbraw/zinc/97/79/36/1312977936.db2.gz IHYONHXMTBYZSC-XHDPSFHLSA-N -1 3 340.217 2.682 20 10 EFCDHM COC1C[C@@H]2COC[C@H](C1)N2Cc1cc(Br)ccc1[O-] ZINC001203643651 1312979196 /nfs/dbraw/zinc/97/91/96/1312979196.db2.gz POLURJCHBYKDAE-PBWFPOADSA-N -1 3 342.233 2.533 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CC(Oc2cccnc2)C1 ZINC001203642067 1312979291 /nfs/dbraw/zinc/97/92/91/1312979291.db2.gz CWOYWYZZIJUNGG-UHFFFAOYSA-N -1 3 335.201 2.813 20 10 EFCDHM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Br)ccc1[O-] ZINC001203648610 1312980618 /nfs/dbraw/zinc/98/06/18/1312980618.db2.gz NZQRXYRBUABBGM-LJWDBELGSA-N -1 3 340.217 2.681 20 10 EFCDHM CCOC(=O)c1cc2n(n1)CCCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203651446 1312980989 /nfs/dbraw/zinc/98/09/89/1312980989.db2.gz ORGKFBWOKZIFPF-UHFFFAOYSA-N -1 3 349.818 2.825 20 10 EFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2ncn(C)c21 ZINC001203656705 1312982246 /nfs/dbraw/zinc/98/22/46/1312982246.db2.gz VASFLIYKJIWFIF-ZDUSSCGKSA-N -1 3 335.835 2.915 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(COCC3CC3)nnc2C1 ZINC001203656145 1312982308 /nfs/dbraw/zinc/98/23/08/1312982308.db2.gz JMFBHYZXWNXJLU-UHFFFAOYSA-N -1 3 348.834 2.580 20 10 EFCDHM CC(C)(C)OC(=O)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203658043 1312982792 /nfs/dbraw/zinc/98/27/92/1312982792.db2.gz QMXLUTRBILMMMS-UHFFFAOYSA-N -1 3 340.851 2.505 20 10 EFCDHM O=C([N-]C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC001203664318 1312984390 /nfs/dbraw/zinc/98/43/90/1312984390.db2.gz YDLCACBUJLQZHE-UHFFFAOYSA-N -1 3 336.741 2.689 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2nccc(Cl)n2)CC1 ZINC001203663597 1312984501 /nfs/dbraw/zinc/98/45/01/1312984501.db2.gz AKPVZIJNIODDGM-UHFFFAOYSA-N -1 3 339.226 2.811 20 10 EFCDHM CC(C)(O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000129983724 1293302575 /nfs/dbraw/zinc/30/25/75/1293302575.db2.gz UJHMCCOXLMNTHF-UHFFFAOYSA-N -1 3 333.259 2.588 20 10 EFCDHM Cc1ccc(CN2CC[C@H](NCc3cc(F)cc(F)c3[O-])C2=O)cc1 ZINC000883102138 1293463056 /nfs/dbraw/zinc/46/30/56/1293463056.db2.gz HSWHJOICZLGMOC-KRWDZBQOSA-N -1 3 346.377 2.870 20 10 EFCDHM Cc1cc(N)ncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001194358083 1293595076 /nfs/dbraw/zinc/59/50/76/1293595076.db2.gz SFIMQPNGGRPSIZ-UHFFFAOYSA-N -1 3 342.786 2.809 20 10 EFCDHM COC(=O)CN(Cc1nccs1)Cc1cc(Cl)ccc1[O-] ZINC000135187647 1294191271 /nfs/dbraw/zinc/19/12/71/1294191271.db2.gz FPEQZUAENPEADD-UHFFFAOYSA-N -1 3 326.805 2.677 20 10 EFCDHM [O-]c1cccc(Br)c1CN[C@H](CCO)C(F)(F)F ZINC000886369803 1294901084 /nfs/dbraw/zinc/90/10/84/1294901084.db2.gz QAGCHGRTLHBMCG-SNVBAGLBSA-N -1 3 328.128 2.558 20 10 EFCDHM C=CS(=O)(=O)[N-]c1c(C)ccc2c1C(=O)c1ccccc1C2=O ZINC001198608873 1295146581 /nfs/dbraw/zinc/14/65/81/1295146581.db2.gz IHNSDZSPXJQKQJ-UHFFFAOYSA-N -1 3 327.361 2.656 20 10 EFCDHM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN2Cc3ccccc3N=C12 ZINC001234475225 1313136711 /nfs/dbraw/zinc/13/67/11/1313136711.db2.gz DRIXWHHXQQWKDY-KRWDZBQOSA-N -1 3 338.363 2.997 20 10 EFCDHM CC(C)(C)NC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000775982951 1295571509 /nfs/dbraw/zinc/57/15/09/1295571509.db2.gz GQBLZTYPKUFROT-UHFFFAOYSA-N -1 3 325.840 2.671 20 10 EFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(OC3CCOCC3)c12 ZINC001234748062 1313188530 /nfs/dbraw/zinc/18/85/30/1313188530.db2.gz ZOKNAXYXQGRDBT-UHFFFAOYSA-N -1 3 344.319 2.621 20 10 EFCDHM CC[C@H](COC)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749480 1313189027 /nfs/dbraw/zinc/18/90/27/1313189027.db2.gz UHQVAHCFXOWMLU-SNVBAGLBSA-N -1 3 346.335 2.867 20 10 EFCDHM C[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])[C@H]1CO ZINC001235058246 1313233295 /nfs/dbraw/zinc/23/32/95/1313233295.db2.gz ZWCIDCWZCGSWGK-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](CO)CC1 ZINC001235297538 1313283857 /nfs/dbraw/zinc/28/38/57/1313283857.db2.gz MYZFPBAQIAHBBZ-JTQLQIEISA-N -1 3 332.213 2.888 20 10 EFCDHM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000776349553 1297927527 /nfs/dbraw/zinc/92/75/27/1297927527.db2.gz KILLQOTYIZUOIC-CQSZACIVSA-N -1 3 344.386 2.944 20 10 EFCDHM CC(C)OC[C@@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000825537119 1298035064 /nfs/dbraw/zinc/03/50/64/1298035064.db2.gz RNJHDYXYTRVWGD-AWEZNQCLSA-N -1 3 344.249 2.781 20 10 EFCDHM CN(Cc1cc(Cl)c(Cl)cc1[O-])C1CCS(=O)(=O)CC1 ZINC001236799175 1313531100 /nfs/dbraw/zinc/53/11/00/1313531100.db2.gz LVJQVWREMWMXJM-UHFFFAOYSA-N -1 3 338.256 2.708 20 10 EFCDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]21 ZINC001236800059 1313531348 /nfs/dbraw/zinc/53/13/48/1313531348.db2.gz SNUNSTZQNJQWFS-MSRIBSCDSA-N -1 3 330.211 2.940 20 10 EFCDHM CCCNC(=O)[C@H]1CCCCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236797695 1313531757 /nfs/dbraw/zinc/53/17/57/1313531757.db2.gz ADSZMCYWICTNMV-OAHLLOKOSA-N -1 3 340.851 2.935 20 10 EFCDHM CN(C)C(=O)NC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236805200 1313531841 /nfs/dbraw/zinc/53/18/41/1313531841.db2.gz WYDPTPHTLAAMAY-UHFFFAOYSA-N -1 3 346.258 2.935 20 10 EFCDHM COC(=O)CN(Cc1c([O-])cc(OC)cc1Cl)C1CCCC1 ZINC001236802073 1313532055 /nfs/dbraw/zinc/53/20/55/1313532055.db2.gz GNKCIYYRVVBDGQ-UHFFFAOYSA-N -1 3 327.808 2.972 20 10 EFCDHM CC(C)(O)CN1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236803804 1313532596 /nfs/dbraw/zinc/53/25/96/1313532596.db2.gz PEIUBXSXNAQXHZ-UHFFFAOYSA-N -1 3 333.259 2.588 20 10 EFCDHM COc1cc([O-])c(CN2CCOC3(CC3)C2)c(Br)c1 ZINC001237068917 1313580914 /nfs/dbraw/zinc/58/09/14/1313580914.db2.gz VVKWAMOGDWDYLO-UHFFFAOYSA-N -1 3 328.206 2.528 20 10 EFCDHM COc1cc([O-])c(CN2CCCCC23COC3)c(Br)c1 ZINC001237073033 1313582031 /nfs/dbraw/zinc/58/20/31/1313582031.db2.gz NIWNTQBZQNTSGE-UHFFFAOYSA-N -1 3 342.233 2.918 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)C(C)(C)C2)c(Br)c1 ZINC001237072336 1313582310 /nfs/dbraw/zinc/58/23/10/1313582310.db2.gz DSKLRBSTWLMHCD-UHFFFAOYSA-N -1 3 342.233 2.964 20 10 EFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@H](N2CCOCC2)C1 ZINC001237081617 1313584146 /nfs/dbraw/zinc/58/41/46/1313584146.db2.gz MVFOLHXEZVQMQS-NSHDSACASA-N -1 3 331.243 2.606 20 10 EFCDHM CN(C)C(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237087350 1313584292 /nfs/dbraw/zinc/58/42/92/1313584292.db2.gz WCJNAVODJPRSRZ-UHFFFAOYSA-N -1 3 346.258 2.935 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@H](F)CC2)c(Br)c1 ZINC001237058983 1313578980 /nfs/dbraw/zinc/57/89/80/1313578980.db2.gz DPCPGXIQDIRKLT-GFCCVEGCSA-N -1 3 346.196 2.666 20 10 EFCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC001237123927 1313590785 /nfs/dbraw/zinc/59/07/85/1313590785.db2.gz MKXVVLZEYWOWLI-GFCCVEGCSA-N -1 3 327.705 2.931 20 10 EFCDHM CN(C)c1nccc(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000776497079 1299317871 /nfs/dbraw/zinc/31/78/71/1299317871.db2.gz OGSLNKFJVYJKIN-UHFFFAOYSA-N -1 3 327.215 2.845 20 10 EFCDHM O=C(Nc1ccccn1)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776646066 1300020186 /nfs/dbraw/zinc/02/01/86/1300020186.db2.gz ZAZFGQLZVJXCDC-UHFFFAOYSA-N -1 3 349.346 2.997 20 10 EFCDHM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(Br)c(C)cc1[O-] ZINC001237678142 1313689846 /nfs/dbraw/zinc/68/98/46/1313689846.db2.gz VAVNHVQBCCUJEW-PWSUYJOCSA-N -1 3 346.196 2.549 20 10 EFCDHM Cc1cc([O-])c(CN2C[C@H](F)C[C@H](CO)C2)cc1Br ZINC001237675739 1313689361 /nfs/dbraw/zinc/68/93/61/1313689361.db2.gz AJGDQCHFXHMHCW-CMPLNLGQSA-N -1 3 332.213 2.615 20 10 EFCDHM C[C@@H]1CN(Cc2cccc(I)c2[O-])CCCO1 ZINC001237777136 1313704321 /nfs/dbraw/zinc/70/43/21/1313704321.db2.gz NDJPQJVFNJFHRF-SNVBAGLBSA-N -1 3 347.196 2.608 20 10 EFCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1C ZINC000795275809 1300581980 /nfs/dbraw/zinc/58/19/80/1300581980.db2.gz JOAUEKIOCPSUEB-UHFFFAOYSA-N -1 3 335.381 2.678 20 10 EFCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1F ZINC000776744934 1300591503 /nfs/dbraw/zinc/59/15/03/1300591503.db2.gz QVTNIXUASHJTKH-UHFFFAOYSA-N -1 3 339.344 2.509 20 10 EFCDHM CC(C)(C(N)=O)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237800041 1313708326 /nfs/dbraw/zinc/70/83/26/1313708326.db2.gz VKMFPYHELXMZQP-UHFFFAOYSA-N -1 3 328.815 2.908 20 10 EFCDHM O=C1CCC[C@@]2(CCCN(Cc3cc(F)cc(Cl)c3[O-])C2)N1 ZINC001237798965 1313708514 /nfs/dbraw/zinc/70/85/14/1313708514.db2.gz FDPZKGDIRNOECW-INIZCTEOSA-N -1 3 326.799 2.819 20 10 EFCDHM Cc1cncnc1O[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804263 1313710037 /nfs/dbraw/zinc/71/00/37/1313710037.db2.gz ZUZAQJAPDGQDQB-ZDUSSCGKSA-N -1 3 337.782 2.936 20 10 EFCDHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000795340712 1300812851 /nfs/dbraw/zinc/81/28/51/1300812851.db2.gz VZNQFSQYLJLGQE-UHFFFAOYSA-N -1 3 349.408 2.607 20 10 EFCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC001237933377 1313732991 /nfs/dbraw/zinc/73/29/91/1313732991.db2.gz AQCPPRSQKCITRY-LBPRGKRZSA-N -1 3 327.705 2.931 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1)C1CC1 ZINC001237940459 1313733537 /nfs/dbraw/zinc/73/35/37/1313733537.db2.gz LMIMOBACUZMFLC-GFCCVEGCSA-N -1 3 326.799 2.675 20 10 EFCDHM Cn1cnnc1[C@@H]1CCCN1Cc1c([O-])cccc1Br ZINC000862250297 1302323029 /nfs/dbraw/zinc/32/30/29/1302323029.db2.gz MQEGZYPLAGSUPP-LBPRGKRZSA-N -1 3 337.221 2.620 20 10 EFCDHM CCN1CC[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380113 1311658518 /nfs/dbraw/zinc/65/85/18/1311658518.db2.gz NQENRVURVWKAPO-LBPRGKRZSA-N -1 3 337.375 2.641 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCn4ccnc43)cccc21 ZINC001226380347 1311659024 /nfs/dbraw/zinc/65/90/24/1311659024.db2.gz RXKBZIFROWOKKU-HNNXBMFYSA-N -1 3 346.342 2.888 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCOC[C@H]3F)cccc21 ZINC001226382839 1311659550 /nfs/dbraw/zinc/65/95/50/1311659550.db2.gz CWBKWKUWFLNWQM-OCCSQVGLSA-N -1 3 342.322 2.673 20 10 EFCDHM COCCO[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000802652855 1311887930 /nfs/dbraw/zinc/88/79/30/1311887930.db2.gz LJMGVYFDQNMNOA-ZDUSSCGKSA-N -1 3 344.249 2.782 20 10 EFCDHM CC(C)OC(=O)COc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937322 1311875899 /nfs/dbraw/zinc/87/58/99/1311875899.db2.gz IJAGWMHWEHJWHG-UHFFFAOYSA-N -1 3 330.336 2.659 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCOC[C@@H]1F ZINC001227941781 1311877182 /nfs/dbraw/zinc/87/71/82/1311877182.db2.gz WSHGRQFEWBQTLM-DZGCQCFKSA-N -1 3 332.327 2.835 20 10 EFCDHM CC1=C(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C(=O)O[C@H]1C ZINC001227941825 1311877248 /nfs/dbraw/zinc/87/72/48/1311877248.db2.gz XQJWLSBHSVTXOF-NSHDSACASA-N -1 3 340.331 2.927 20 10 EFCDHM COCCO[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000802652853 1311888090 /nfs/dbraw/zinc/88/80/90/1311888090.db2.gz LJMGVYFDQNMNOA-CYBMUJFWSA-N -1 3 344.249 2.782 20 10 EFCDHM CN1CCC[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229186991 1312058919 /nfs/dbraw/zinc/05/89/19/1312058919.db2.gz SIDRKJINDMXDFN-LBPRGKRZSA-N -1 3 337.375 2.641 20 10 EFCDHM CC[C@H](COc1cccc2c1C(=O)c1cccc([O-])c1C2=O)OC ZINC001229192871 1312060179 /nfs/dbraw/zinc/06/01/79/1312060179.db2.gz WKPYTHCQQXQOFQ-LLVKDONJSA-N -1 3 326.348 2.971 20 10 EFCDHM O=C([O-])c1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001231446369 1312499186 /nfs/dbraw/zinc/49/91/86/1312499186.db2.gz HRQUONFYBQKYJZ-UHFFFAOYSA-N -1 3 330.359 2.552 20 10 EFCDHM C[N@H+](CCCC(=O)c1cccnc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452375 1312500044 /nfs/dbraw/zinc/50/00/44/1312500044.db2.gz NNMLHGBMHSNOLE-UHFFFAOYSA-N -1 3 328.368 2.580 20 10 EFCDHM C[N@@H+](CCCC(=O)c1cccnc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452375 1312500048 /nfs/dbraw/zinc/50/00/48/1312500048.db2.gz NNMLHGBMHSNOLE-UHFFFAOYSA-N -1 3 328.368 2.580 20 10 EFCDHM CCOC(=O)CCC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452754 1312500056 /nfs/dbraw/zinc/50/00/56/1312500056.db2.gz UWWUYVRRUHRZDG-UHFFFAOYSA-N -1 3 335.400 2.646 20 10 EFCDHM CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231455859 1312500783 /nfs/dbraw/zinc/50/07/83/1312500783.db2.gz VBASIFJQSIADFD-CQSZACIVSA-N -1 3 345.399 2.806 20 10 EFCDHM CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231455859 1312500785 /nfs/dbraw/zinc/50/07/85/1312500785.db2.gz VBASIFJQSIADFD-CQSZACIVSA-N -1 3 345.399 2.806 20 10 EFCDHM CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454279 1312501613 /nfs/dbraw/zinc/50/16/13/1312501613.db2.gz PHZGELVOXBVQKD-UHFFFAOYSA-N -1 3 329.396 2.864 20 10 EFCDHM CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454279 1312501617 /nfs/dbraw/zinc/50/16/17/1312501617.db2.gz PHZGELVOXBVQKD-UHFFFAOYSA-N -1 3 329.396 2.864 20 10 EFCDHM O=C([O-])c1ccc(CN2CCOC[C@H]2Cc2ccccc2)c(O)c1 ZINC001231454350 1312501712 /nfs/dbraw/zinc/50/17/12/1312501712.db2.gz QHDOIMPCGYMXEU-QGZVFWFLSA-N -1 3 327.380 2.534 20 10 EFCDHM CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565560 1312526620 /nfs/dbraw/zinc/52/66/20/1312526620.db2.gz GDWYIVMASZALAN-UHFFFAOYSA-N -1 3 329.396 2.864 20 10 EFCDHM CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565560 1312526624 /nfs/dbraw/zinc/52/66/24/1312526624.db2.gz GDWYIVMASZALAN-UHFFFAOYSA-N -1 3 329.396 2.864 20 10 EFCDHM Cc1ccnc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC001231871540 1312578673 /nfs/dbraw/zinc/57/86/73/1312578673.db2.gz NFKZNNPXTZKDHG-UHFFFAOYSA-N -1 3 332.835 2.775 20 10 EFCDHM COc1cc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)ccn1 ZINC001231912909 1312587074 /nfs/dbraw/zinc/58/70/74/1312587074.db2.gz ADFAGQFXKIZSBN-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM O=C(NC1CCN(Cc2cccc(Cl)c2[O-])CC1)c1ccccn1 ZINC001231913565 1312587101 /nfs/dbraw/zinc/58/71/01/1312587101.db2.gz NDCYLXAGCZYZEK-UHFFFAOYSA-N -1 3 345.830 2.835 20 10 EFCDHM COc1cc([O-])c(CN2CCN(c3ccccn3)CC2)cc1Cl ZINC001232263618 1312660939 /nfs/dbraw/zinc/66/09/39/1312660939.db2.gz BSAUMUKJRHWKDQ-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM CCCNC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232265475 1312661921 /nfs/dbraw/zinc/66/19/21/1312661921.db2.gz XDYWBNXULYDYAF-CQSZACIVSA-N -1 3 340.851 2.935 20 10 EFCDHM COc1cc([O-])c(CN2CCN(C)c3ncccc3C2)cc1Cl ZINC001232265518 1312662138 /nfs/dbraw/zinc/66/21/38/1312662138.db2.gz NQTQIDYNAXVJEA-UHFFFAOYSA-N -1 3 333.819 2.901 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)C(C)C)C2)cc1Cl ZINC001232271451 1312663930 /nfs/dbraw/zinc/66/39/30/1312663930.db2.gz VHKRGFAQCOPTEV-CYBMUJFWSA-N -1 3 340.851 2.791 20 10 EFCDHM COc1cc(-c2noc(-c3cccc(O)c3[O-])n2)cc(OC)c1OC ZINC001215145908 1314788849 /nfs/dbraw/zinc/78/88/49/1314788849.db2.gz QOWDSLBIXVQIKI-UHFFFAOYSA-N -1 3 344.323 2.841 20 10 EFCDHM CC(=O)c1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(F)c1 ZINC001215325159 1314815354 /nfs/dbraw/zinc/81/53/54/1314815354.db2.gz DWJFNPUWKLUBEV-UHFFFAOYSA-N -1 3 330.271 2.862 20 10 EFCDHM CC(=O)c1ccc(-c2noc(-c3ccc(O)c([O-])c3O)n2)c(F)c1 ZINC001215325159 1314815356 /nfs/dbraw/zinc/81/53/56/1314815356.db2.gz DWJFNPUWKLUBEV-UHFFFAOYSA-N -1 3 330.271 2.862 20 10 EFCDHM COc1c(F)ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1F ZINC001215325302 1314815394 /nfs/dbraw/zinc/81/53/94/1314815394.db2.gz LAJUNBFATMMXAK-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM COc1c(F)c(F)ccc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325554 1314815444 /nfs/dbraw/zinc/81/54/44/1314815444.db2.gz ZAYQLCBDRXKDMN-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM COc1c(F)cc(F)cc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325238 1314815557 /nfs/dbraw/zinc/81/55/57/1314815557.db2.gz HVLPHHQVLHTGFR-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM COc1c(F)cc(F)cc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215327864 1314816126 /nfs/dbraw/zinc/81/61/26/1314816126.db2.gz XKSLMKHTBHJGPV-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM Cc1c2cccc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)c2nn1C ZINC001215327778 1314816448 /nfs/dbraw/zinc/81/64/48/1314816448.db2.gz SKKIOSNDIZXUOA-UHFFFAOYSA-N -1 3 338.323 2.716 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001215327483 1314816743 /nfs/dbraw/zinc/81/67/43/1314816743.db2.gz CWUJLJSFLZFELS-UHFFFAOYSA-N -1 3 348.318 2.977 20 10 EFCDHM COc1cc([O-])c(CN2CC(C)(C)C2)cc1I ZINC001248459483 1314937480 /nfs/dbraw/zinc/93/74/80/1314937480.db2.gz VWZKHTCDTJKVOL-UHFFFAOYSA-N -1 3 347.196 2.847 20 10 EFCDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CCO1 ZINC001248880817 1314990860 /nfs/dbraw/zinc/99/08/60/1314990860.db2.gz NMIUBFUYZMLXDK-HNNXBMFYSA-N -1 3 341.835 2.717 20 10 EFCDHM CCC(=O)N1CCN(Cc2cc(C)c(Br)cc2[O-])CC1 ZINC001250120265 1315174567 /nfs/dbraw/zinc/17/45/67/1315174567.db2.gz ADZOLHPPHWOUPZ-UHFFFAOYSA-N -1 3 341.249 2.517 20 10 EFCDHM CCCS(=O)(=O)[N-]c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001253600708 1315617487 /nfs/dbraw/zinc/61/74/87/1315617487.db2.gz NONTZIJEXDSMGB-UHFFFAOYSA-N -1 3 329.377 2.614 20 10 EFCDHM CC(C)[C@@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001253771419 1315636705 /nfs/dbraw/zinc/63/67/05/1315636705.db2.gz INLUNVRLKDSQGM-KRWDZBQOSA-N -1 3 325.364 2.596 20 10 EFCDHM COc1c([O-])c(CNc2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC001256043460 1315895878 /nfs/dbraw/zinc/89/58/78/1315895878.db2.gz XWWJMYFKGNQDRC-UHFFFAOYSA-N -1 3 341.327 2.502 20 10 EFCDHM O=C(CN[C@H]1COc2ccc(Cl)cc2C1)c1ccc([O-])c(O)c1 ZINC001257949702 1316104901 /nfs/dbraw/zinc/10/49/01/1316104901.db2.gz AWTCCDMSGXPLIW-CYBMUJFWSA-N -1 3 333.771 2.527 20 10 EFCDHM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc(OC(F)F)cc1 ZINC001259430614 1316242371 /nfs/dbraw/zinc/24/23/71/1316242371.db2.gz WMXDRNUJYRSZNF-UHFFFAOYSA-N -1 3 333.287 2.934 20 10 EFCDHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c1 ZINC001260810000 1316370411 /nfs/dbraw/zinc/37/04/11/1316370411.db2.gz RFLOHVYREXACSK-UHFFFAOYSA-N -1 3 334.397 2.768 20 10 EFCDHM CN(C)c1ccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cc1F ZINC000901833510 1324757889 /nfs/dbraw/zinc/75/78/89/1324757889.db2.gz ZBWIOKQLHPLJJX-UHFFFAOYSA-N -1 3 346.402 2.987 20 10 EFCDHM [O-]c1cccc(Br)c1CN[C@@H](CCO)c1ccco1 ZINC001334903608 1331328654 /nfs/dbraw/zinc/32/86/54/1331328654.db2.gz VAAIHZZQNMHDOO-LBPRGKRZSA-N -1 3 326.190 2.961 20 10 EFCDHM Cc1cc(=O)[n-]c(C=Cc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001342253076 1332324510 /nfs/dbraw/zinc/32/45/10/1332324510.db2.gz DVSLGRMRTBTPHK-XQRVVYSFSA-N -1 3 328.391 2.552 20 10 EFCDHM Cc1cc(O)c(CNCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822210447 1429213065 /nfs/dbraw/zinc/21/30/65/1429213065.db2.gz BTDAQOLROJIRNO-UHFFFAOYSA-N -1 3 327.363 2.618 20 10 EFCDHM Cc1cc(O)c(CNCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822210447 1429213072 /nfs/dbraw/zinc/21/30/72/1429213072.db2.gz BTDAQOLROJIRNO-UHFFFAOYSA-N -1 3 327.363 2.618 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826210590 1423873898 /nfs/dbraw/zinc/87/38/98/1423873898.db2.gz XHABYLWBJRYFFS-SNVBAGLBSA-N -1 3 343.362 2.571 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826210590 1423873900 /nfs/dbraw/zinc/87/39/00/1423873900.db2.gz XHABYLWBJRYFFS-SNVBAGLBSA-N -1 3 343.362 2.571 20 10 EFCDHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(N(C)C)cc1 ZINC000824606983 1427393091 /nfs/dbraw/zinc/39/30/91/1427393091.db2.gz UUMZANNHFAFHMS-GFCCVEGCSA-N -1 3 340.406 2.923 20 10 EFCDHM CN(C)c1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821610938 1450251223 /nfs/dbraw/zinc/25/12/23/1450251223.db2.gz KWSNUCWNTMIPQA-UHFFFAOYSA-N -1 3 328.445 2.626 20 10 EFCDHM CN(C)c1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821610938 1450251226 /nfs/dbraw/zinc/25/12/26/1450251226.db2.gz KWSNUCWNTMIPQA-UHFFFAOYSA-N -1 3 328.445 2.626 20 10 EFCDHM CCOC(=O)[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000896961848 723916091 /nfs/dbraw/zinc/91/60/91/723916091.db2.gz FRMCKLMZUZQETF-LLVKDONJSA-N -1 3 328.206 2.540 20 10 EFCDHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])C(C)(C)C ZINC000136868681 718751285 /nfs/dbraw/zinc/75/12/85/718751285.db2.gz NGDVCVUVGGNIFE-GFCCVEGCSA-N -1 3 330.222 2.832 20 10 EFCDHM CCn1cnc2c1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000897336291 724607112 /nfs/dbraw/zinc/60/71/12/724607112.db2.gz BWXAUPHYGQWIJH-UHFFFAOYSA-N -1 3 336.233 2.929 20 10 EFCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])CCC12CCC2 ZINC000840969313 719772279 /nfs/dbraw/zinc/77/22/79/719772279.db2.gz DVUWGRLELPBGEF-UHFFFAOYSA-N -1 3 329.849 2.589 20 10 EFCDHM CC(C)(C)c1ncc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)s1 ZINC000893212669 720065441 /nfs/dbraw/zinc/06/54/41/720065441.db2.gz LAUXSQJNSMKDRD-VOTSOKGWSA-N -1 3 344.440 2.929 20 10 EFCDHM NC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893863734 720129759 /nfs/dbraw/zinc/12/97/59/720129759.db2.gz MMQKQYLIPXEKMP-MRVPVSSYSA-N -1 3 347.640 2.505 20 10 EFCDHM CCCC(=O)NC[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893983633 720204264 /nfs/dbraw/zinc/20/42/64/720204264.db2.gz DILQHZRLEBZECB-GFCCVEGCSA-N -1 3 326.387 2.799 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000894073755 720268628 /nfs/dbraw/zinc/26/86/28/720268628.db2.gz WBWQRDAQSGWADJ-ZDUSSCGKSA-N -1 3 325.277 2.806 20 10 EFCDHM COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@H]1C ZINC000894539123 722775920 /nfs/dbraw/zinc/77/59/20/722775920.db2.gz YCBLYCBKMLGDOV-GZMMTYOYSA-N -1 3 346.196 2.677 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC([C@@H]2CCOC2)C1 ZINC000894603857 722790247 /nfs/dbraw/zinc/79/02/47/722790247.db2.gz CQMIXHVUBOJMLV-SECBINFHSA-N -1 3 330.197 2.762 20 10 EFCDHM CC(=O)NCCN(Cc1ccsc1)Cc1cc(F)cc(F)c1[O-] ZINC000894675545 722815569 /nfs/dbraw/zinc/81/55/69/722815569.db2.gz HIQWMVRWWOTNSN-UHFFFAOYSA-N -1 3 340.395 2.870 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000894748825 722833795 /nfs/dbraw/zinc/83/37/95/722833795.db2.gz XFTZEAUPBFQHIB-MWLCHTKSSA-N -1 3 325.277 2.663 20 10 EFCDHM [O-]c1cc(Br)ccc1CN[C@H](CCO)C(F)(F)F ZINC000894851383 722893543 /nfs/dbraw/zinc/89/35/43/722893543.db2.gz OBDSRGRDGHFOOK-SNVBAGLBSA-N -1 3 328.128 2.558 20 10 EFCDHM [O-]c1cc(Br)ccc1CN[C@@H](CCO)C(F)(F)F ZINC000894851382 722893639 /nfs/dbraw/zinc/89/36/39/722893639.db2.gz OBDSRGRDGHFOOK-JTQLQIEISA-N -1 3 328.128 2.558 20 10 EFCDHM COCCN(Cc1c(C)nn(C)c1C)Cc1cc(F)cc(F)c1[O-] ZINC000894969148 723038552 /nfs/dbraw/zinc/03/85/52/723038552.db2.gz IQOAZOJAMHKRBC-UHFFFAOYSA-N -1 3 339.386 2.669 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@]1(C)CO ZINC000895345474 724053678 /nfs/dbraw/zinc/05/36/78/724053678.db2.gz USLSGUXCMNQBML-LKFCYVNXSA-N -1 3 332.213 2.744 20 10 EFCDHM C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1CO ZINC000895376263 724087505 /nfs/dbraw/zinc/08/75/05/724087505.db2.gz HRJDCKHMKLWCLP-ONGXEEELSA-N -1 3 332.213 2.744 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1CO ZINC000895376262 724087571 /nfs/dbraw/zinc/08/75/71/724087571.db2.gz HRJDCKHMKLWCLP-MWLCHTKSSA-N -1 3 332.213 2.744 20 10 EFCDHM [O-]c1ccc(Br)cc1CNCc1nc(C(F)F)no1 ZINC000895726942 724285565 /nfs/dbraw/zinc/28/55/65/724285565.db2.gz LFUGEVNQGTZOIK-UHFFFAOYSA-N -1 3 334.120 2.765 20 10 EFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC000840998520 725527335 /nfs/dbraw/zinc/52/73/35/725527335.db2.gz HTCJANXVPGIEJJ-AWEZNQCLSA-N -1 3 328.206 2.760 20 10 EFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC000840998520 725527338 /nfs/dbraw/zinc/52/73/38/725527338.db2.gz HTCJANXVPGIEJJ-AWEZNQCLSA-N -1 3 328.206 2.760 20 10 EFCDHM CN(Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000054446515 726234820 /nfs/dbraw/zinc/23/48/20/726234820.db2.gz LLBSCVJHMVRALX-LBPRGKRZSA-N -1 3 349.452 2.636 20 10 EFCDHM COc1ccc(N(C)CCN(C)C(=O)c2c([O-])cccc2OC)cc1 ZINC000911893528 727616928 /nfs/dbraw/zinc/61/69/28/727616928.db2.gz SIYRYTSUIYCEAI-UHFFFAOYSA-N -1 3 344.411 2.618 20 10 EFCDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(O)cc1[O-] ZINC000182123476 727956306 /nfs/dbraw/zinc/95/63/06/727956306.db2.gz MBEOCJBYPNJSDM-UHFFFAOYSA-N -1 3 344.436 2.581 20 10 EFCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OCC(F)F)cc1 ZINC000181661079 729112119 /nfs/dbraw/zinc/11/21/19/729112119.db2.gz GFYIIUOOFDPZDG-UHFFFAOYSA-N -1 3 329.324 2.837 20 10 EFCDHM COc1ccc([C@@H](NCc2ccc(N(C)C)c(F)c2)C(=O)[O-])cc1 ZINC000901645669 980422212 /nfs/dbraw/zinc/42/22/12/980422212.db2.gz ANZHUAKLYCIBHM-QGZVFWFLSA-N -1 3 332.375 2.816 20 10 EFCDHM CCCC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C(=O)[O-] ZINC001595638160 981940991 /nfs/dbraw/zinc/94/09/91/981940991.db2.gz IAVHDPOINODXCC-LLVKDONJSA-N -1 3 346.221 2.896 20 10 EFCDHM CCN(CC)c1ccc(CNCc2ccc(C(=O)[O-])n2C)cc1F ZINC001596288337 983708094 /nfs/dbraw/zinc/70/80/94/983708094.db2.gz NIYSMPWNIPKHIP-UHFFFAOYSA-N -1 3 333.407 2.998 20 10 EFCDHM COc1nc(C)cc(C)c1CN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599729491 991687124 /nfs/dbraw/zinc/68/71/24/991687124.db2.gz RQRWDHWAELHQKR-GFCCVEGCSA-N -1 3 330.384 2.962 20 10 EFCDHM CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001591104420 991727275 /nfs/dbraw/zinc/72/72/75/991727275.db2.gz BYLWPSRKMCGELA-ZDUSSCGKSA-N -1 3 348.443 2.778 20 10 EFCDHM CNC(=O)CC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCCCC1 ZINC001598638097 994272792 /nfs/dbraw/zinc/27/27/92/994272792.db2.gz XLIGQIZMXJPYEP-CYBMUJFWSA-N -1 3 348.443 2.828 20 10 EFCDHM C[C@@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593236561 994406715 /nfs/dbraw/zinc/40/67/15/994406715.db2.gz GTQXUKKDXNHYCB-LLVKDONJSA-N -1 3 347.440 2.802 20 10 EFCDHM C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241027 994433436 /nfs/dbraw/zinc/43/34/36/994433436.db2.gz UUQGCMNLGBBYSW-VOJFVSQTSA-N -1 3 333.359 2.788 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256456 994521926 /nfs/dbraw/zinc/52/19/26/994521926.db2.gz HZKRYXNPQDXDAD-CHWSQXEVSA-N -1 3 327.380 2.992 20 10 EFCDHM C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256799 994522581 /nfs/dbraw/zinc/52/25/81/994522581.db2.gz JLUBHYXXOJAVOZ-GHMZBOCLSA-N -1 3 346.349 2.625 20 10 EFCDHM C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271900 994608126 /nfs/dbraw/zinc/60/81/26/994608126.db2.gz MUKHIFIDDPXMLD-NSHDSACASA-N -1 3 346.339 2.728 20 10 EFCDHM C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271898 994608375 /nfs/dbraw/zinc/60/83/75/994608375.db2.gz MUKHIFIDDPXMLD-LLVKDONJSA-N -1 3 346.339 2.728 20 10 EFCDHM C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275915 994630747 /nfs/dbraw/zinc/63/07/47/994630747.db2.gz WGOMRNHXZYDFOL-GFCCVEGCSA-N -1 3 327.380 2.919 20 10 EFCDHM C[C@H](NCc1cc(C(F)(F)F)nn1C)c1cc(C(=O)[O-])ccc1O ZINC001593292849 994680156 /nfs/dbraw/zinc/68/01/56/994680156.db2.gz PYSYJMIXZZPFEF-QMMMGPOBSA-N -1 3 343.305 2.694 20 10 EFCDHM C[C@@H](NCc1cccc2c1OCCO2)c1cc(C(=O)[O-])ccc1O ZINC001593302856 994728826 /nfs/dbraw/zinc/72/88/26/994728826.db2.gz AKOZJPLIHMSCQS-LLVKDONJSA-N -1 3 329.352 2.712 20 10 EFCDHM C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354366 994990225 /nfs/dbraw/zinc/99/02/25/994990225.db2.gz OFYHSTVRIFDBEL-CJNGLKHVSA-N -1 3 329.396 2.735 20 10 EFCDHM COc1cc(C)cc(CNCc2ccc(Cl)c(C(=O)[O-])n2)c1O ZINC001599391892 997053668 /nfs/dbraw/zinc/05/36/68/997053668.db2.gz FRIVKGYJUTZXPF-UHFFFAOYSA-N -1 3 336.775 2.746 20 10 EFCDHM COc1ccc([C@H](NCc2ccc(N(C)C)c(C)c2)C(=O)[O-])cc1O ZINC001599531214 997656530 /nfs/dbraw/zinc/65/65/30/997656530.db2.gz IHYGBNNAKYVCIH-SFHVURJKSA-N -1 3 344.411 2.691 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(C)c(-c3nnn[n-]3)c2)cc1F ZINC001580034633 1090749361 /nfs/dbraw/zinc/74/93/61/1090749361.db2.gz HHFYNJWQILLSQW-UHFFFAOYSA-N -1 3 327.363 2.959 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(C)c(-c3nn[n-]n3)c2)cc1F ZINC001580034633 1090749366 /nfs/dbraw/zinc/74/93/66/1090749366.db2.gz HHFYNJWQILLSQW-UHFFFAOYSA-N -1 3 327.363 2.959 20 10 EFCDHM Cc1cc(-c2nnn[n-]2)cc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001580616653 1090969255 /nfs/dbraw/zinc/96/92/55/1090969255.db2.gz LDKRCGMZTKXDMJ-UHFFFAOYSA-N -1 3 349.442 2.807 20 10 EFCDHM Cc1cc(-c2nn[n-]n2)cc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001580616653 1090969260 /nfs/dbraw/zinc/96/92/60/1090969260.db2.gz LDKRCGMZTKXDMJ-UHFFFAOYSA-N -1 3 349.442 2.807 20 10 EFCDHM CC(C)CN(C(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589613913 1093116411 /nfs/dbraw/zinc/11/64/11/1093116411.db2.gz LQTCYNKHMRWHQP-BJMVGYQFSA-N -1 3 348.410 2.964 20 10 EFCDHM CC(C)CN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589613913 1093116418 /nfs/dbraw/zinc/11/64/18/1093116418.db2.gz LQTCYNKHMRWHQP-BJMVGYQFSA-N -1 3 348.410 2.964 20 10 EFCDHM C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952235 1093191664 /nfs/dbraw/zinc/19/16/64/1093191664.db2.gz QBWZLWUBOCYEDR-BZNIZROVSA-N -1 3 336.399 2.769 20 10 EFCDHM C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961466 1093196262 /nfs/dbraw/zinc/19/62/62/1093196262.db2.gz CZLQGECPKSMSSY-NWDGAFQWSA-N -1 3 331.420 2.571 20 10 EFCDHM C[C@@H]([NH2+]CCOC1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965042 1093201278 /nfs/dbraw/zinc/20/12/78/1093201278.db2.gz ZOHRVOMCIZNDBB-GFCCVEGCSA-N -1 3 331.420 2.572 20 10 EFCDHM C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978182 1093205123 /nfs/dbraw/zinc/20/51/23/1093205123.db2.gz MBNSKJPBOWEAIL-CYBMUJFWSA-N -1 3 345.447 2.556 20 10 EFCDHM CC[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464597 1093434383 /nfs/dbraw/zinc/43/43/83/1093434383.db2.gz DAAKTBNQYDVMBX-AWEZNQCLSA-N -1 3 344.806 2.862 20 10 EFCDHM CC[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466502 1093438398 /nfs/dbraw/zinc/43/83/98/1093438398.db2.gz NJSWWMSBGXDHDD-PQENOYGVSA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469040 1093442672 /nfs/dbraw/zinc/44/26/72/1093442672.db2.gz XIKUSHYHTAXZLP-SWLSCSKDSA-N -1 3 331.420 2.572 20 10 EFCDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)c(OC)c1 ZINC001590719558 1093555715 /nfs/dbraw/zinc/55/57/15/1093555715.db2.gz FLBMKVPCYHCHSQ-UHFFFAOYSA-N -1 3 339.399 2.910 20 10 EFCDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)c(OC)c1 ZINC001590719558 1093555720 /nfs/dbraw/zinc/55/57/20/1093555720.db2.gz FLBMKVPCYHCHSQ-UHFFFAOYSA-N -1 3 339.399 2.910 20 10 EFCDHM CCOc1ccccc1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590842665 1093594479 /nfs/dbraw/zinc/59/44/79/1093594479.db2.gz HTCLKNMJDUHHNN-GFCCVEGCSA-N -1 3 339.399 2.822 20 10 EFCDHM C[N@H+](CCc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)c(F)cc1[O-] ZINC001591120467 1093662816 /nfs/dbraw/zinc/66/28/16/1093662816.db2.gz IQHCYZRYGIHKOM-UHFFFAOYSA-N -1 3 345.353 2.525 20 10 EFCDHM C[N@@H+](CCc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)c(F)cc1[O-] ZINC001591120467 1093662818 /nfs/dbraw/zinc/66/28/18/1093662818.db2.gz IQHCYZRYGIHKOM-UHFFFAOYSA-N -1 3 345.353 2.525 20 10 EFCDHM CN(Cc1ccccc1O)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001591147187 1093674178 /nfs/dbraw/zinc/67/41/78/1093674178.db2.gz AWGWVBZOSNTOAD-UHFFFAOYSA-N -1 3 332.367 2.757 20 10 EFCDHM CN(Cc1ccccc1O)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001591147187 1093674180 /nfs/dbraw/zinc/67/41/80/1093674180.db2.gz AWGWVBZOSNTOAD-UHFFFAOYSA-N -1 3 332.367 2.757 20 10 EFCDHM CN(Cc1ccccc1O)c1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001591147389 1093674677 /nfs/dbraw/zinc/67/46/77/1093674677.db2.gz IOQDKPTUXXRYNH-UHFFFAOYSA-N -1 3 338.396 2.818 20 10 EFCDHM CN(Cc1ccccc1O)c1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001591147389 1093674678 /nfs/dbraw/zinc/67/46/78/1093674678.db2.gz IOQDKPTUXXRYNH-UHFFFAOYSA-N -1 3 338.396 2.818 20 10 EFCDHM COCc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cc1 ZINC001591456157 1093725074 /nfs/dbraw/zinc/72/50/74/1093725074.db2.gz GORWPZMNRYRICX-GFCCVEGCSA-N -1 3 339.399 2.570 20 10 EFCDHM COc1cc(C)c(CNc2cc(F)cc(-c3nnn[n-]3)c2)c(O)c1 ZINC001591521271 1093749559 /nfs/dbraw/zinc/74/95/59/1093749559.db2.gz WFTZZNLZHFBDDM-UHFFFAOYSA-N -1 3 329.335 2.641 20 10 EFCDHM COc1cc(C)c(CNc2cc(F)cc(-c3nn[n-]n3)c2)c(O)c1 ZINC001591521271 1093749563 /nfs/dbraw/zinc/74/95/63/1093749563.db2.gz WFTZZNLZHFBDDM-UHFFFAOYSA-N -1 3 329.335 2.641 20 10 EFCDHM COc1ccc2c(c1)CCN2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591626364 1093803913 /nfs/dbraw/zinc/80/39/13/1093803913.db2.gz FNYLCTNCPSXRDK-UHFFFAOYSA-N -1 3 325.347 2.577 20 10 EFCDHM COc1ccc2c(c1)CCN2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591626364 1093803922 /nfs/dbraw/zinc/80/39/22/1093803922.db2.gz FNYLCTNCPSXRDK-UHFFFAOYSA-N -1 3 325.347 2.577 20 10 EFCDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN(C)c1ccc2c(c1)OCO2 ZINC001591846045 1093886148 /nfs/dbraw/zinc/88/61/48/1093886148.db2.gz HUDNAGJCQBMHNE-UHFFFAOYSA-N -1 3 337.383 2.849 20 10 EFCDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN(C)c1ccc2c(c1)OCO2 ZINC001591846045 1093886152 /nfs/dbraw/zinc/88/61/52/1093886152.db2.gz HUDNAGJCQBMHNE-UHFFFAOYSA-N -1 3 337.383 2.849 20 10 EFCDHM Cc1cc(C)cc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591954528 1093931848 /nfs/dbraw/zinc/93/18/48/1093931848.db2.gz RMLIXLJAJNZFNB-UHFFFAOYSA-N -1 3 339.428 2.797 20 10 EFCDHM Cc1cc(C)cc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591954528 1093931855 /nfs/dbraw/zinc/93/18/55/1093931855.db2.gz RMLIXLJAJNZFNB-UHFFFAOYSA-N -1 3 339.428 2.797 20 10 EFCDHM Cc1cc(NCCCSc2nccs2)ncc1-c1nnn[n-]1 ZINC001592048898 1093966842 /nfs/dbraw/zinc/96/68/42/1093966842.db2.gz UDZOCYSWKJYFGD-UHFFFAOYSA-N -1 3 333.446 2.621 20 10 EFCDHM Cc1cc(NCCCSc2nccs2)ncc1-c1nn[n-]n1 ZINC001592048898 1093966846 /nfs/dbraw/zinc/96/68/46/1093966846.db2.gz UDZOCYSWKJYFGD-UHFFFAOYSA-N -1 3 333.446 2.621 20 10 EFCDHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001592076184 1093976942 /nfs/dbraw/zinc/97/69/42/1093976942.db2.gz DOYJAZXHXKDSHQ-UHFFFAOYSA-N -1 3 349.442 2.807 20 10 EFCDHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001592076184 1093976943 /nfs/dbraw/zinc/97/69/43/1093976943.db2.gz DOYJAZXHXKDSHQ-UHFFFAOYSA-N -1 3 349.442 2.807 20 10 EFCDHM Cc1csc(CCC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592314936 1094073585 /nfs/dbraw/zinc/07/35/85/1094073585.db2.gz YVUCTUPGDOJIKF-LLVKDONJSA-N -1 3 344.444 2.621 20 10 EFCDHM Cc1csc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592313753 1094074558 /nfs/dbraw/zinc/07/45/58/1094074558.db2.gz VWQSNXVLAMIDCS-UWVGGRQHSA-N -1 3 330.417 2.749 20 10 EFCDHM Cc1nc(N(C)Cc2ccc(N3CCCC3)cc2)ccc1-c1nnn[n-]1 ZINC001592368401 1094090899 /nfs/dbraw/zinc/09/08/99/1094090899.db2.gz XRPSXWJDUTYDDC-UHFFFAOYSA-N -1 3 349.442 2.807 20 10 EFCDHM Cc1nc(N(C)Cc2ccc(N3CCCC3)cc2)ccc1-c1nn[n-]n1 ZINC001592368401 1094090905 /nfs/dbraw/zinc/09/09/05/1094090905.db2.gz XRPSXWJDUTYDDC-UHFFFAOYSA-N -1 3 349.442 2.807 20 10 EFCDHM Cc1nc(N(C)Cc2ccccc2O)c(Cl)cc1-c1nnn[n-]1 ZINC001592368266 1094091694 /nfs/dbraw/zinc/09/16/94/1094091694.db2.gz SDINCGDEWVOPJN-UHFFFAOYSA-N -1 3 330.779 2.566 20 10 EFCDHM Cc1nc(N(C)Cc2ccccc2O)c(Cl)cc1-c1nn[n-]n1 ZINC001592368266 1094091701 /nfs/dbraw/zinc/09/17/01/1094091701.db2.gz SDINCGDEWVOPJN-UHFFFAOYSA-N -1 3 330.779 2.566 20 10 EFCDHM Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592456561 1094107589 /nfs/dbraw/zinc/10/75/89/1094107589.db2.gz YUKUWODKPJXFIZ-UWVGGRQHSA-N -1 3 342.403 2.631 20 10 EFCDHM Fc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CC=CC3)cc2)c1 ZINC001592645129 1094160193 /nfs/dbraw/zinc/16/01/93/1094160193.db2.gz XBIDGFSBTLIMKQ-UHFFFAOYSA-N -1 3 336.374 2.994 20 10 EFCDHM Fc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CC=CC3)cc2)c1 ZINC001592645129 1094160196 /nfs/dbraw/zinc/16/01/96/1094160196.db2.gz XBIDGFSBTLIMKQ-UHFFFAOYSA-N -1 3 336.374 2.994 20 10 EFCDHM Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1[O-] ZINC001600072415 1094751947 /nfs/dbraw/zinc/75/19/47/1094751947.db2.gz UTRSNLWCJKNZGB-GFCCVEGCSA-N -1 3 328.206 2.902 20 10 EFCDHM Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1[O-] ZINC001600072415 1094751957 /nfs/dbraw/zinc/75/19/57/1094751957.db2.gz UTRSNLWCJKNZGB-GFCCVEGCSA-N -1 3 328.206 2.902 20 10 EFCDHM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@@H]21 ZINC001602205307 1096116224 /nfs/dbraw/zinc/11/62/24/1096116224.db2.gz VHHLBUBZTSYICB-DZFIZOCASA-N -1 3 339.391 2.734 20 10 EFCDHM O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@@H]21 ZINC001602205307 1096116227 /nfs/dbraw/zinc/11/62/27/1096116227.db2.gz VHHLBUBZTSYICB-DZFIZOCASA-N -1 3 339.391 2.734 20 10 EFCDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1=CC(=O)CS1 ZINC001603330219 1096506601 /nfs/dbraw/zinc/50/66/01/1096506601.db2.gz MIZDWMUQCXOQJU-UHFFFAOYSA-N -1 3 343.412 2.685 20 10 EFCDHM CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658406 1096580947 /nfs/dbraw/zinc/58/09/47/1096580947.db2.gz UPVYCOXNOADZAP-DCGLDWPTSA-N -1 3 345.447 2.674 20 10 EFCDHM CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658405 1096581471 /nfs/dbraw/zinc/58/14/71/1096581471.db2.gz UPVYCOXNOADZAP-AHIWAGSCSA-N -1 3 345.447 2.674 20 10 EFCDHM C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661940 1096582924 /nfs/dbraw/zinc/58/29/24/1096582924.db2.gz FLGQCAMHOBJEES-OLZOCXBDSA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055490 1096712292 /nfs/dbraw/zinc/71/22/92/1096712292.db2.gz MVCAJFJCGCWKCO-CZUORRHYSA-N -1 3 347.463 2.658 20 10 EFCDHM CC[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604052967 1096712382 /nfs/dbraw/zinc/71/23/82/1096712382.db2.gz AEENGEBIKUJEMG-SMDDNHRTSA-N -1 3 333.461 2.756 20 10 EFCDHM CC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604060259 1096715242 /nfs/dbraw/zinc/71/52/42/1096715242.db2.gz DTYNGXSPKFLMAR-TYNCELHUSA-N -1 3 331.420 2.569 20 10 EFCDHM C[C@](CC(=O)[O-])(NCc1ccc2c(c1)CCCO2)c1ccncc1 ZINC001604091356 1096730021 /nfs/dbraw/zinc/73/00/21/1096730021.db2.gz QFWJKJYZNZLBQL-LJQANCHMSA-N -1 3 326.396 2.886 20 10 EFCDHM C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604331566 1096814848 /nfs/dbraw/zinc/81/48/48/1096814848.db2.gz BZPPNTKQNNRUMM-ZJNRKIDTSA-N -1 3 329.396 2.906 20 10 EFCDHM CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604538579 1096897708 /nfs/dbraw/zinc/89/77/08/1096897708.db2.gz KBKFDBARQAOTEZ-VXGBXAGGSA-N -1 3 338.415 2.942 20 10 EFCDHM COc1ccc(N(Cc2ccc(-c3nnn[n-]3)cn2)CC(C)C)cc1 ZINC001605291001 1097083337 /nfs/dbraw/zinc/08/33/37/1097083337.db2.gz FUVLWWUWZWHQBN-UHFFFAOYSA-N -1 3 338.415 2.933 20 10 EFCDHM COc1ccc(N(Cc2ccc(-c3nn[n-]n3)cn2)CC(C)C)cc1 ZINC001605291001 1097083341 /nfs/dbraw/zinc/08/33/41/1097083341.db2.gz FUVLWWUWZWHQBN-UHFFFAOYSA-N -1 3 338.415 2.933 20 10 EFCDHM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC001605290967 1097083851 /nfs/dbraw/zinc/08/38/51/1097083851.db2.gz CWXRCAOGQQKXFO-UHFFFAOYSA-N -1 3 331.401 2.582 20 10 EFCDHM COc1ccc(N(C)Cc2cc(-c3nn[n-]n3)cs2)cc1OC ZINC001605290967 1097083858 /nfs/dbraw/zinc/08/38/58/1097083858.db2.gz CWXRCAOGQQKXFO-UHFFFAOYSA-N -1 3 331.401 2.582 20 10 EFCDHM CSc1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1-c1nnn[n-]1 ZINC001605387264 1097114109 /nfs/dbraw/zinc/11/41/09/1097114109.db2.gz IHXVIEUADDHYBQ-UHFFFAOYSA-N -1 3 345.403 2.723 20 10 EFCDHM CSc1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1-c1nn[n-]n1 ZINC001605387264 1097114111 /nfs/dbraw/zinc/11/41/11/1097114111.db2.gz IHXVIEUADDHYBQ-UHFFFAOYSA-N -1 3 345.403 2.723 20 10 EFCDHM CCOc1ccc(C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1 ZINC001605685121 1097195487 /nfs/dbraw/zinc/19/54/87/1097195487.db2.gz CPWXSTDNPHJGOH-OAHLLOKOSA-N -1 3 347.386 2.963 20 10 EFCDHM CCOc1ccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)c(O)c1 ZINC001605691537 1097196624 /nfs/dbraw/zinc/19/66/24/1097196624.db2.gz DTRWAIOIOIJFCZ-UHFFFAOYSA-N -1 3 336.775 2.827 20 10 EFCDHM Cc1ccc(O)c(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001605875481 1097262379 /nfs/dbraw/zinc/26/23/79/1097262379.db2.gz GIIOVTBAVUAJRE-UHFFFAOYSA-N -1 3 344.306 2.540 20 10 EFCDHM Cc1ccc(O)c(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001605875481 1097262382 /nfs/dbraw/zinc/26/23/82/1097262382.db2.gz GIIOVTBAVUAJRE-UHFFFAOYSA-N -1 3 344.306 2.540 20 10 EFCDHM Cc1ccncc1C=CC(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001605960236 1097287220 /nfs/dbraw/zinc/28/72/20/1097287220.db2.gz OCMQCVFLIULHPU-ALCCZGGFSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccncc1C=CC(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001605960236 1097287224 /nfs/dbraw/zinc/28/72/24/1097287224.db2.gz OCMQCVFLIULHPU-ALCCZGGFSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1nc(NCc2c(O)ccc3c2CCCC3)ccc1-c1nnn[n-]1 ZINC001606076517 1097313521 /nfs/dbraw/zinc/31/35/21/1097313521.db2.gz KJJPVCPEASPUBL-UHFFFAOYSA-N -1 3 336.399 2.767 20 10 EFCDHM Cc1nc(NCc2c(O)ccc3c2CCCC3)ccc1-c1nn[n-]n1 ZINC001606076517 1097313529 /nfs/dbraw/zinc/31/35/29/1097313529.db2.gz KJJPVCPEASPUBL-UHFFFAOYSA-N -1 3 336.399 2.767 20 10 EFCDHM Oc1ccc2c(c1CNc1ncc(-c3nnn[n-]3)cc1F)CCCC2 ZINC001607110619 1097517100 /nfs/dbraw/zinc/51/71/00/1097517100.db2.gz GSJKSJIVQZPRBH-UHFFFAOYSA-N -1 3 340.362 2.597 20 10 EFCDHM Oc1ccc2c(c1CNc1ncc(-c3nn[n-]n3)cc1F)CCCC2 ZINC001607110619 1097517102 /nfs/dbraw/zinc/51/71/02/1097517102.db2.gz GSJKSJIVQZPRBH-UHFFFAOYSA-N -1 3 340.362 2.597 20 10 EFCDHM S=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Cl)c1 ZINC001607112444 1097518377 /nfs/dbraw/zinc/51/83/77/1097518377.db2.gz SARVFPGKRJDJNZ-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM COc1cc(CN2CCc3ccc(C(=O)[O-])cc3C2)c(O)cc1C ZINC001607157610 1097546620 /nfs/dbraw/zinc/54/66/20/1097546620.db2.gz LNQXFTGDZXZMFN-UHFFFAOYSA-N -1 3 327.380 2.966 20 10 EFCDHM COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])c(OC)c1 ZINC001607234740 1097568516 /nfs/dbraw/zinc/56/85/16/1097568516.db2.gz NLIVWPZGERWDMV-GOSISDBHSA-N -1 3 344.411 2.685 20 10 EFCDHM O=C([O-])c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC001608880311 1098055454 /nfs/dbraw/zinc/05/54/54/1098055454.db2.gz DDIMKCGVGWQOEM-HNNXBMFYSA-N -1 3 330.384 2.600 20 10 EFCDHM C[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])NC(=O)OC(C)(C)C ZINC001609747706 1098445453 /nfs/dbraw/zinc/44/54/53/1098445453.db2.gz APSVAPDZJDDTQU-GHMZBOCLSA-N -1 3 338.404 2.654 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609773505 1098453185 /nfs/dbraw/zinc/45/31/85/1098453185.db2.gz OHMIXFANKYSCKB-SJKOYZFVSA-N -1 3 343.427 2.507 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774052 1098453396 /nfs/dbraw/zinc/45/33/96/1098453396.db2.gz RNHMDIOBDMPOSY-RISCZKNCSA-N -1 3 333.359 2.656 20 10 EFCDHM COc1cc(Br)cc(C[NH2+]CCCCCC(=O)[O-])c1[O-] ZINC001610279689 1098600021 /nfs/dbraw/zinc/60/00/21/1098600021.db2.gz KVHREAUMTJSMMZ-UHFFFAOYSA-N -1 3 346.221 2.898 20 10 EFCDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610347416 1098631008 /nfs/dbraw/zinc/63/10/08/1098631008.db2.gz AUTGJFQQSNAACL-SNVBAGLBSA-N -1 3 346.339 2.858 20 10 EFCDHM COC(=O)[C@H](CC1CC1)NCc1cc(Br)ccc1[O-] ZINC000840957045 1102557085 /nfs/dbraw/zinc/55/70/85/1102557085.db2.gz HTPIXHHIZJGVLT-LBPRGKRZSA-N -1 3 328.206 2.586 20 10 EFCDHM COc1cc2nc(NC(=O)c3ccc(C)c(O)c3[O-])[nH]c2cc1OC ZINC000780941700 1102940961 /nfs/dbraw/zinc/94/09/61/1102940961.db2.gz YMNHOGWCCKEGRT-UHFFFAOYSA-N -1 3 343.339 2.552 20 10 EFCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001142509181 1106041917 /nfs/dbraw/zinc/04/19/17/1106041917.db2.gz ZQYYFUROJUHURL-QWHCGFSZSA-N -1 3 343.267 2.898 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000698954271 1108409042 /nfs/dbraw/zinc/40/90/42/1108409042.db2.gz YFDDBOMCGMTKLV-LLVKDONJSA-N -1 3 340.139 2.918 20 10 EFCDHM C[C@H]1CN(Cc2cc(F)cc(Br)c2[O-])CCC[C@@H]1O ZINC001235296087 1111726448 /nfs/dbraw/zinc/72/64/48/1111726448.db2.gz HEYZQYJUQHPZAE-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1cc(Cl)ccc1[O-] ZINC001272639422 1111800176 /nfs/dbraw/zinc/80/01/76/1111800176.db2.gz ZFIWHOWVAGJKRK-MRXNPFEDSA-N -1 3 344.789 2.878 20 10 EFCDHM CNC(=O)c1cccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168522680 1112011675 /nfs/dbraw/zinc/01/16/75/1112011675.db2.gz UBEPLJHXIBOICS-UHFFFAOYSA-N -1 3 342.786 2.961 20 10 EFCDHM [O-]c1c(CNc2cnc3ncnn3c2)cc(Cl)c2cccnc12 ZINC001168524335 1112185461 /nfs/dbraw/zinc/18/54/61/1112185461.db2.gz ZGPZOOKUGMGYKY-UHFFFAOYSA-N -1 3 326.747 2.644 20 10 EFCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)ccc1[N+](=O)[O-] ZINC000184614206 1119248139 /nfs/dbraw/zinc/24/81/39/1119248139.db2.gz BBJVNUPTDBPFQN-UHFFFAOYSA-N -1 3 326.305 2.549 20 10 EFCDHM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC000192990384 240078643 /nfs/dbraw/zinc/07/86/43/240078643.db2.gz QPAPOZBTXMDJJP-KSSFIOAISA-N -1 3 327.380 2.996 20 10 EFCDHM CCCCNC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000192985667 240078677 /nfs/dbraw/zinc/07/86/77/240078677.db2.gz IVLMDXAUZWRITC-UHFFFAOYSA-N -1 3 342.395 2.558 20 10 EFCDHM CC(=O)N(Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)C1CC1 ZINC000193078631 240082382 /nfs/dbraw/zinc/08/23/82/240082382.db2.gz UUUMPGNCHDIPDD-UHFFFAOYSA-N -1 3 340.379 2.861 20 10 EFCDHM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(O)c1[O-] ZINC000193147164 240088751 /nfs/dbraw/zinc/08/87/51/240088751.db2.gz OSNAXMKWDNTKLZ-CZUORRHYSA-N -1 3 327.380 2.996 20 10 EFCDHM O=C(NCc1ccc(N2CCOCC2)cc1)c1cc([O-])ccc1Cl ZINC000277643989 240786790 /nfs/dbraw/zinc/78/67/90/240786790.db2.gz KHBVZFIHOIDAAA-UHFFFAOYSA-N -1 3 346.814 2.812 20 10 EFCDHM Cc1ccc(C(=O)N2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)c([O-])c1O ZINC000294059978 241031753 /nfs/dbraw/zinc/03/17/53/241031753.db2.gz KBLXPTSYOCMNFV-CHWSQXEVSA-N -1 3 348.443 2.514 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@]1(CO)CCOc2ccccc21 ZINC000366899816 242367586 /nfs/dbraw/zinc/36/75/86/242367586.db2.gz HWRLUDWIJXGDNY-KRWDZBQOSA-N -1 3 337.778 2.945 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)c([O-])c1O ZINC000365017070 242314342 /nfs/dbraw/zinc/31/43/42/242314342.db2.gz UJKHJNYTEPIKGC-UHFFFAOYSA-N -1 3 344.415 2.598 20 10 EFCDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)c1[O-] ZINC000365149181 242318621 /nfs/dbraw/zinc/31/86/21/242318621.db2.gz GBTZHKVVBSOMFS-ZIAGYGMSSA-N -1 3 339.819 2.624 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c([O-])c1O ZINC000177664872 292055649 /nfs/dbraw/zinc/05/56/49/292055649.db2.gz IHYQFKACOJYMLY-MRXNPFEDSA-N -1 3 326.396 2.535 20 10 EFCDHM COc1ccc([O-])c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000175426244 286337638 /nfs/dbraw/zinc/33/76/38/286337638.db2.gz XKKHLRFVTQUOEA-UHFFFAOYSA-N -1 3 328.368 2.506 20 10 EFCDHM CCS(=O)(=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185331331 286609178 /nfs/dbraw/zinc/60/91/78/286609178.db2.gz ZASLFMABULAAQD-QMMMGPOBSA-N -1 3 326.245 2.784 20 10 EFCDHM COc1cc(CNCc2c([O-])cccc2Cl)ccc1OCCO ZINC000113325381 544569716 /nfs/dbraw/zinc/56/97/16/544569716.db2.gz ZKADTYYEFOYYSP-UHFFFAOYSA-N -1 3 337.803 2.715 20 10 EFCDHM CS(=O)(=O)Cc1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000113325051 544569749 /nfs/dbraw/zinc/56/97/49/544569749.db2.gz JLBRGDLFPUDZKX-UHFFFAOYSA-N -1 3 339.844 2.880 20 10 EFCDHM [O-]c1cccc(Cl)c1CNC[C@@H](O)COc1ccc(F)cc1 ZINC000113327603 544569967 /nfs/dbraw/zinc/56/99/67/544569967.db2.gz AQTVNKKKGSLLKB-GFCCVEGCSA-N -1 3 325.767 2.714 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCSC[C@H]1c1nccs1)OCO2 ZINC000184880873 473262352 /nfs/dbraw/zinc/26/23/52/473262352.db2.gz KBGAJTRSQVRJMD-NSHDSACASA-N -1 3 336.438 2.868 20 10 EFCDHM CC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177058453 473297629 /nfs/dbraw/zinc/29/76/29/473297629.db2.gz CZCNVRRVISLCRY-ZDUSSCGKSA-N -1 3 338.835 2.596 20 10 EFCDHM COc1ccc(N2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1F ZINC000084937363 472228539 /nfs/dbraw/zinc/22/85/39/472228539.db2.gz GOYGCHHIFDZBEU-UHFFFAOYSA-N -1 3 344.386 2.811 20 10 EFCDHM CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976344 472530903 /nfs/dbraw/zinc/53/09/03/472530903.db2.gz RPYNJRYURCJDMH-WBVHZDCISA-N -1 3 334.460 2.534 20 10 EFCDHM CC1CCN(C(=O)CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000070975905 472530933 /nfs/dbraw/zinc/53/09/33/472530933.db2.gz JITKCFILLVLVIY-SFHVURJKSA-N -1 3 346.471 2.632 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000091855640 472816924 /nfs/dbraw/zinc/81/69/24/472816924.db2.gz VUDVMLNADFPHMY-JSGCOSHPSA-N -1 3 344.274 2.861 20 10 EFCDHM CCCOc1ccc(CN2CCO[C@](C)(c3cnn(C)c3)C2)c([O-])c1 ZINC000092017006 472844531 /nfs/dbraw/zinc/84/45/31/472844531.db2.gz QYLJBYBAKUMNKY-IBGZPJMESA-N -1 3 345.443 2.662 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000079474241 472870931 /nfs/dbraw/zinc/87/09/31/472870931.db2.gz FIOJMVUIWXKRDF-CYBMUJFWSA-N -1 3 331.391 2.532 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1CN1CCOCC1 ZINC000092218191 472877302 /nfs/dbraw/zinc/87/73/02/472877302.db2.gz LXVGVXYSLMZVIE-CQSZACIVSA-N -1 3 345.270 2.996 20 10 EFCDHM CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158039130 472886224 /nfs/dbraw/zinc/88/62/24/472886224.db2.gz JLLISBMWBXKGOZ-DOMZBBRYSA-N -1 3 340.851 2.551 20 10 EFCDHM CO[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134261146 472890131 /nfs/dbraw/zinc/89/01/31/472890131.db2.gz YTJBWMMSKIOZRN-WFASDCNBSA-N -1 3 340.851 2.551 20 10 EFCDHM COC(=O)C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000093458403 473109649 /nfs/dbraw/zinc/10/96/49/473109649.db2.gz AYWRYGDUOCANJL-SFHVURJKSA-N -1 3 341.407 2.823 20 10 EFCDHM CCOC(=O)c1ccc(NC(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000109771068 473119735 /nfs/dbraw/zinc/11/97/35/473119735.db2.gz YFJCILRDYWFARA-UHFFFAOYSA-N -1 3 342.395 2.639 20 10 EFCDHM CNC(=O)CC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093587642 473121554 /nfs/dbraw/zinc/12/15/54/473121554.db2.gz CUNCGUKQLFLBRB-UHFFFAOYSA-N -1 3 341.249 2.503 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000093664697 473131901 /nfs/dbraw/zinc/13/19/01/473131901.db2.gz PFCMUOUFTISLMC-GFCCVEGCSA-N -1 3 345.270 2.853 20 10 EFCDHM C[C@H]1CCCCN1C(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000123482407 473146504 /nfs/dbraw/zinc/14/65/04/473146504.db2.gz KXDGKFVKKSRSBE-WMZOPIPTSA-N -1 3 346.471 2.774 20 10 EFCDHM CCO[C@@H](C)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000075416654 473185244 /nfs/dbraw/zinc/18/52/44/473185244.db2.gz WUTBWOHZDPESKP-JTQLQIEISA-N -1 3 330.222 2.928 20 10 EFCDHM COC(=O)c1coc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000111232939 473197655 /nfs/dbraw/zinc/19/76/55/473197655.db2.gz GPPXSANBSRRJMU-INIZCTEOSA-N -1 3 345.395 2.953 20 10 EFCDHM Cc1cccc(OCCNC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000111236085 473198261 /nfs/dbraw/zinc/19/82/61/473198261.db2.gz DIVHZMHYLHCOCE-INIZCTEOSA-N -1 3 342.439 2.716 20 10 EFCDHM CC(C)Cc1nnc(NC(=O)CN(C)Cc2ccccc2[O-])s1 ZINC000137278092 473202046 /nfs/dbraw/zinc/20/20/46/473202046.db2.gz SCOWUCACLCGQNK-UHFFFAOYSA-N -1 3 334.445 2.513 20 10 EFCDHM CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000171936926 473486133 /nfs/dbraw/zinc/48/61/33/473486133.db2.gz BXCGTQBUUAOEDS-UHFFFAOYSA-N -1 3 341.455 2.549 20 10 EFCDHM CC(=O)N(c1nc(CN(C)Cc2ccccc2[O-])cs1)C1CC1 ZINC000114721367 473496351 /nfs/dbraw/zinc/49/63/51/473496351.db2.gz BLQVUVCIVDMFAU-UHFFFAOYSA-N -1 3 331.441 2.996 20 10 EFCDHM C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186021404 473573484 /nfs/dbraw/zinc/57/34/84/473573484.db2.gz CCAKYJLDQUQCTK-LDYMZIIASA-N -1 3 336.741 2.859 20 10 EFCDHM C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(F)cc1[O-] ZINC000186262330 473631832 /nfs/dbraw/zinc/63/18/32/473631832.db2.gz IXNGNGWJKYXDEX-LBPRGKRZSA-N -1 3 329.375 2.641 20 10 EFCDHM Cc1cc(Br)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1[O-] ZINC000179636790 473700820 /nfs/dbraw/zinc/70/08/20/473700820.db2.gz GPTRVTNXUSBPFN-CYBMUJFWSA-N -1 3 341.249 2.516 20 10 EFCDHM Cc1ccc(C(=O)NCc2ccnc(N3CCCCC3)c2)c([O-])c1O ZINC000179436018 473687468 /nfs/dbraw/zinc/68/74/68/473687468.db2.gz PNCBTPKPWHIVLF-UHFFFAOYSA-N -1 3 341.411 2.722 20 10 EFCDHM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179453439 473688649 /nfs/dbraw/zinc/68/86/49/473688649.db2.gz HJVWMKWARVMFNV-ZIAGYGMSSA-N -1 3 348.443 2.563 20 10 EFCDHM O=S(=O)([N-]c1c(F)cc(F)cc1F)c1cccc2nsnc21 ZINC000192723304 473712959 /nfs/dbraw/zinc/71/29/59/473712959.db2.gz YOHMDTSODCVLLW-UHFFFAOYSA-N -1 3 345.327 2.909 20 10 EFCDHM CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000281586380 473773530 /nfs/dbraw/zinc/77/35/30/473773530.db2.gz MKVCIFCRLQKMHX-HXPMCKFVSA-N -1 3 347.411 2.682 20 10 EFCDHM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000186956163 473788104 /nfs/dbraw/zinc/78/81/04/473788104.db2.gz WQKFKIHQSZPOQC-LBPRGKRZSA-N -1 3 342.395 2.556 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1O ZINC000269374250 473791776 /nfs/dbraw/zinc/79/17/76/473791776.db2.gz ZIIRXZUWYGULMB-UHFFFAOYSA-N -1 3 335.381 2.663 20 10 EFCDHM Cc1ccccc1C1(CNC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000187014789 473801448 /nfs/dbraw/zinc/80/14/48/473801448.db2.gz OIYOPZUDWNRWOE-UHFFFAOYSA-N -1 3 341.407 2.884 20 10 EFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000187152623 473826664 /nfs/dbraw/zinc/82/66/64/473826664.db2.gz VQCZVNYDGRKLPR-VIFPVBQESA-N -1 3 343.314 2.778 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000187203707 473836502 /nfs/dbraw/zinc/83/65/02/473836502.db2.gz VOUXYGDGJDHOTL-OAHLLOKOSA-N -1 3 327.380 2.919 20 10 EFCDHM COc1cc(NC(=O)CN(C)Cc2cc(F)ccc2[O-])cc(OC)c1 ZINC000180257281 473839989 /nfs/dbraw/zinc/83/99/89/473839989.db2.gz ZJFMKEIPCVJZPD-UHFFFAOYSA-N -1 3 348.374 2.619 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000180263905 473841823 /nfs/dbraw/zinc/84/18/23/473841823.db2.gz YYCSJMBBHDOEFJ-HOCLYGCPSA-N -1 3 337.416 2.917 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000180263894 473842540 /nfs/dbraw/zinc/84/25/40/473842540.db2.gz YYCSJMBBHDOEFJ-GOEBONIOSA-N -1 3 337.416 2.917 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000274863300 473993646 /nfs/dbraw/zinc/99/36/46/473993646.db2.gz BBXFKFHZIUTJBS-AWEZNQCLSA-N -1 3 341.363 2.846 20 10 EFCDHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(O)c1[O-] ZINC000188136954 473996342 /nfs/dbraw/zinc/99/63/42/473996342.db2.gz IIJQLZWKIGQRHW-UHFFFAOYSA-N -1 3 342.395 2.897 20 10 EFCDHM COC[C@@H]1CN(Cc2cc(Br)cc(C)c2[O-])C[C@@H](C)O1 ZINC000188361653 474070663 /nfs/dbraw/zinc/07/06/63/474070663.db2.gz YXDAQTSUKYQMTH-RISCZKNCSA-N -1 3 344.249 2.699 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000188380187 474077026 /nfs/dbraw/zinc/07/70/26/474077026.db2.gz HJCRLOIQFXVTNV-OAHLLOKOSA-N -1 3 335.306 2.590 20 10 EFCDHM [O-]c1ccccc1CN(Cc1nnc2n1CCCC2)C[C@@H]1CCCO1 ZINC000264724286 474104341 /nfs/dbraw/zinc/10/43/41/474104341.db2.gz POFRLTVVOFIRDZ-INIZCTEOSA-N -1 3 342.443 2.501 20 10 EFCDHM CC[C@H]1CN(Cc2c([O-])ccc3ccccc32)C[C@@H](C)S1(=O)=O ZINC000289088907 474144851 /nfs/dbraw/zinc/14/48/51/474144851.db2.gz OQSFBKABPBGMSW-HIFRSBDPSA-N -1 3 333.453 2.943 20 10 EFCDHM CCCOc1ccc(CN2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)c([O-])c1 ZINC000289209954 474184296 /nfs/dbraw/zinc/18/42/96/474184296.db2.gz BXUKXTXYTHNMBQ-IATAILRESA-N -1 3 325.474 2.912 20 10 EFCDHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000289224611 474190151 /nfs/dbraw/zinc/19/01/51/474190151.db2.gz CRZRIPUUHCSDJK-ZDUSSCGKSA-N -1 3 337.725 2.973 20 10 EFCDHM COC(=O)CN(Cc1ccc(CO)cc1)Cc1cc(Cl)ccc1[O-] ZINC000182873785 474276633 /nfs/dbraw/zinc/27/66/33/474276633.db2.gz YOSKZVFKFGEADU-UHFFFAOYSA-N -1 3 349.814 2.713 20 10 EFCDHM NC(=O)[C@@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182954127 474296026 /nfs/dbraw/zinc/29/60/26/474296026.db2.gz IISGKPFGRTZKEC-SFHVURJKSA-N -1 3 340.423 2.811 20 10 EFCDHM NC(=O)[C@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182954107 474296173 /nfs/dbraw/zinc/29/61/73/474296173.db2.gz IISGKPFGRTZKEC-GOSISDBHSA-N -1 3 340.423 2.811 20 10 EFCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000265775073 474333019 /nfs/dbraw/zinc/33/30/19/474333019.db2.gz PGONWBRGXJLZBN-UHFFFAOYSA-N -1 3 335.381 2.663 20 10 EFCDHM CN(Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000271033269 474378574 /nfs/dbraw/zinc/37/85/74/474378574.db2.gz ZPGWUYHXKCSRGU-QGZVFWFLSA-N -1 3 331.437 2.678 20 10 EFCDHM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000189509475 474425296 /nfs/dbraw/zinc/42/52/96/474425296.db2.gz IZYDDULGGLQKNL-LJQANCHMSA-N -1 3 329.396 2.901 20 10 EFCDHM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@H](O)C(F)(F)F ZINC000189542511 474436220 /nfs/dbraw/zinc/43/62/20/474436220.db2.gz QKGQZOSYBGDWMM-LBPRGKRZSA-N -1 3 339.741 2.993 20 10 EFCDHM COC(=O)CN(Cc1ccc(F)cn1)Cc1cc(Cl)ccc1[O-] ZINC000276164058 474436811 /nfs/dbraw/zinc/43/68/11/474436811.db2.gz DOTOHMNRRFWKQQ-UHFFFAOYSA-N -1 3 338.766 2.755 20 10 EFCDHM CCCOc1ccc(CN(C)Cc2nc([C@@H](C)OC)no2)c([O-])c1 ZINC000271203211 474438029 /nfs/dbraw/zinc/43/80/29/474438029.db2.gz JMSMBAJWDOQSNK-GFCCVEGCSA-N -1 3 335.404 2.903 20 10 EFCDHM COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271232207 474454648 /nfs/dbraw/zinc/45/46/48/474454648.db2.gz BINDGXCGPNTESF-LBPRGKRZSA-N -1 3 331.368 2.612 20 10 EFCDHM CNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000290167627 474560560 /nfs/dbraw/zinc/56/05/60/474560560.db2.gz MNVYPKKFTJYUIZ-CYBMUJFWSA-N -1 3 342.823 2.765 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000291318525 474600068 /nfs/dbraw/zinc/60/00/68/474600068.db2.gz SIQJKJLTPTXNCF-SNVBAGLBSA-N -1 3 336.176 2.604 20 10 EFCDHM CC[C@@]1(CO)CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000190218113 474566145 /nfs/dbraw/zinc/56/61/45/474566145.db2.gz MSFRJZITCNAYEH-OAHLLOKOSA-N -1 3 328.796 2.938 20 10 EFCDHM CCN(CC)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccco1 ZINC000276668390 474568095 /nfs/dbraw/zinc/56/80/95/474568095.db2.gz YZGWUMCJECTPJP-GFCCVEGCSA-N -1 3 336.363 2.643 20 10 EFCDHM C[C@@H](N[C@H](C)c1ccc(Br)cc1[O-])c1ncnn1C ZINC000276696594 474568466 /nfs/dbraw/zinc/56/84/66/474568466.db2.gz VJWZQAGYBWQLNB-RKDXNWHRSA-N -1 3 325.210 2.695 20 10 EFCDHM CCOCCOCCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000190261419 474570887 /nfs/dbraw/zinc/57/08/87/474570887.db2.gz PAWUNLWBGVLZOC-UHFFFAOYSA-N -1 3 329.824 2.733 20 10 EFCDHM C[C@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(F)c(F)c1[O-] ZINC000276889376 474572979 /nfs/dbraw/zinc/57/29/79/474572979.db2.gz HJSSFXDKZMGYRU-LBPRGKRZSA-N -1 3 349.381 2.753 20 10 EFCDHM CS[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277174754 474580133 /nfs/dbraw/zinc/58/01/33/474580133.db2.gz GGZVKGMSYJCMRU-VIFPVBQESA-N -1 3 328.821 2.561 20 10 EFCDHM CS[C@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277174749 474580146 /nfs/dbraw/zinc/58/01/46/474580146.db2.gz GGZVKGMSYJCMRU-SECBINFHSA-N -1 3 328.821 2.561 20 10 EFCDHM CC[C@@H](CSC)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277280831 474580471 /nfs/dbraw/zinc/58/04/71/474580471.db2.gz QBKXLSFOUYUEQJ-LBPRGKRZSA-N -1 3 342.848 2.951 20 10 EFCDHM CSCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277235517 474580483 /nfs/dbraw/zinc/58/04/83/474580483.db2.gz GHMNAVMGDRQNOC-UHFFFAOYSA-N -1 3 328.821 2.563 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277388632 474585054 /nfs/dbraw/zinc/58/50/54/474585054.db2.gz GSNKXZABMULQLL-UHFFFAOYSA-N -1 3 341.308 2.666 20 10 EFCDHM COc1cc(Cl)cc(CN2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000184702003 474589903 /nfs/dbraw/zinc/58/99/03/474589903.db2.gz BIYCNVYVYRWWBE-JSGCOSHPSA-N -1 3 329.849 2.761 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[C@@H](C)[S@](=O)CC2)c1[O-] ZINC000277629196 474591493 /nfs/dbraw/zinc/59/14/93/474591493.db2.gz MTWDURLLDLMAOK-NSPYISDASA-N -1 3 346.290 2.806 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000277823392 474596633 /nfs/dbraw/zinc/59/66/33/474596633.db2.gz RBMVKTQYAJRVTL-MEBBXXQBSA-N -1 3 349.324 2.869 20 10 EFCDHM COc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000278274776 474605735 /nfs/dbraw/zinc/60/57/35/474605735.db2.gz SBHSAVIXXQNBEX-UHFFFAOYSA-N -1 3 344.367 2.876 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(C(=O)OC(C)(C)C)CC2)c([O-])c1O ZINC000272743031 474623969 /nfs/dbraw/zinc/62/39/69/474623969.db2.gz MODDXZHLMGJJEA-UHFFFAOYSA-N -1 3 335.400 2.600 20 10 EFCDHM COc1cc(CN(C(=O)c2ccc(C)c(O)c2[O-])C2CC2)ccc1O ZINC000272717554 474624344 /nfs/dbraw/zinc/62/43/44/474624344.db2.gz GHLLAAYSPSEBFI-UHFFFAOYSA-N -1 3 343.379 2.925 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)c([O-])c1O ZINC000272763907 474625043 /nfs/dbraw/zinc/62/50/43/474625043.db2.gz QUNWBZNJDAQWQH-LBPRGKRZSA-N -1 3 329.352 2.877 20 10 EFCDHM CN(C)c1ncc(CNCc2cccc(Br)c2[O-])s1 ZINC000278454266 474648542 /nfs/dbraw/zinc/64/85/42/474648542.db2.gz YMYMFYFXPMGOTP-UHFFFAOYSA-N -1 3 342.262 2.967 20 10 EFCDHM COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(C)o1 ZINC000278469781 474653196 /nfs/dbraw/zinc/65/31/96/474653196.db2.gz GUIWRISEDRMQNZ-LBPRGKRZSA-N -1 3 336.344 2.688 20 10 EFCDHM COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000278840389 474864498 /nfs/dbraw/zinc/86/44/98/474864498.db2.gz JWAPJKCPEUFTJK-UHFFFAOYSA-N -1 3 336.319 2.747 20 10 EFCDHM CCCOc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC000278902503 474904862 /nfs/dbraw/zinc/90/48/62/474904862.db2.gz RIPIANWGZZPUEN-UHFFFAOYSA-N -1 3 347.371 2.783 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273524541 474943768 /nfs/dbraw/zinc/94/37/68/474943768.db2.gz UXNYDYNGPUYYEZ-GHMZBOCLSA-N -1 3 332.404 2.832 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000273524541 474943778 /nfs/dbraw/zinc/94/37/78/474943778.db2.gz UXNYDYNGPUYYEZ-GHMZBOCLSA-N -1 3 332.404 2.832 20 10 EFCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273535972 474949733 /nfs/dbraw/zinc/94/97/33/474949733.db2.gz XIWPLEADNDYYSR-QPUJVOFHSA-N -1 3 330.215 2.817 20 10 EFCDHM C[C@@H]1OCC[C@]12CN(Cc1cc(Br)ccc1[O-])CCO2 ZINC000279609904 474981697 /nfs/dbraw/zinc/98/16/97/474981697.db2.gz FMANCIPILGRYCY-NHYWBVRUSA-N -1 3 342.233 2.535 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(C(C)=O)CC1 ZINC000293543002 475031230 /nfs/dbraw/zinc/03/12/30/475031230.db2.gz ZUKOCBIRUUVCOO-UHFFFAOYSA-N -1 3 340.217 2.872 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000280111361 475010012 /nfs/dbraw/zinc/01/00/12/475010012.db2.gz OXFPYSMEWRPSQP-KRWDZBQOSA-N -1 3 327.380 2.684 20 10 EFCDHM [O-]c1c(Br)cc(Br)cc1CNCCF ZINC000280615029 475038046 /nfs/dbraw/zinc/03/80/46/475038046.db2.gz DYIOJGPCQMGSSP-UHFFFAOYSA-N -1 3 326.991 2.976 20 10 EFCDHM Cc1ccc([C@@H](NCc2ccccc2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280646694 475041540 /nfs/dbraw/zinc/04/15/40/475041540.db2.gz JDVMTVPQCHJZBW-KSSFIOAISA-N -1 3 333.453 2.965 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(c3cccc(F)c3)C[C@@H]2C)c([O-])c1O ZINC000293855638 475054884 /nfs/dbraw/zinc/05/48/84/475054884.db2.gz DACWBTAGKRCLBU-ZDUSSCGKSA-N -1 3 344.386 2.896 20 10 EFCDHM CCSCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286492069 475068340 /nfs/dbraw/zinc/06/83/40/475068340.db2.gz WSBVEQJGRNTGEE-UHFFFAOYSA-N -1 3 342.848 2.953 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000286740385 475077219 /nfs/dbraw/zinc/07/72/19/475077219.db2.gz YDPOBTHTLYSKOS-SMDDNHRTSA-N -1 3 349.324 2.727 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](OCc3ccncc3)C2)c1[O-] ZINC000281134676 475084910 /nfs/dbraw/zinc/08/49/10/475084910.db2.gz YSDMPMGUICZTSO-QGZVFWFLSA-N -1 3 344.386 2.920 20 10 EFCDHM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(F)ccc1O ZINC000292712342 475164620 /nfs/dbraw/zinc/16/46/20/475164620.db2.gz DJIAEXJQTZMYNQ-BXKDBHETSA-N -1 3 334.313 2.563 20 10 EFCDHM Cc1ccc(C(=O)N2CCN[C@@H](c3ccccc3Cl)C2)c([O-])c1O ZINC000374867334 476562913 /nfs/dbraw/zinc/56/29/13/476562913.db2.gz CJPMKGPQHIGHDM-OAHLLOKOSA-N -1 3 346.814 2.846 20 10 EFCDHM Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)c2ccccc2)c([O-])c1O ZINC000374934661 476602440 /nfs/dbraw/zinc/60/24/40/476602440.db2.gz VJGSHFXKDCGOEH-MRXNPFEDSA-N -1 3 337.379 2.659 20 10 EFCDHM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc(C)c(O)c1[O-] ZINC000378568077 476721596 /nfs/dbraw/zinc/72/15/96/476721596.db2.gz DASOQPUIFHKBOO-CQSZACIVSA-N -1 3 329.352 2.668 20 10 EFCDHM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cccc(O)c1[O-] ZINC000375678508 476949518 /nfs/dbraw/zinc/94/95/18/476949518.db2.gz MBTPZVRZBYGDEG-KRWDZBQOSA-N -1 3 327.380 2.996 20 10 EFCDHM COc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1[O-] ZINC000570196435 478306622 /nfs/dbraw/zinc/30/66/22/478306622.db2.gz PEULZBCOJVCDKM-UHFFFAOYSA-N -1 3 328.368 2.506 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCc3nc(C4CC4)ncc3C2)c1[O-] ZINC000528739141 478907516 /nfs/dbraw/zinc/90/75/16/478907516.db2.gz YDPOJMFNKKIDAO-UHFFFAOYSA-N -1 3 341.386 2.960 20 10 EFCDHM CCN(C(=O)/C=C/c1cncc([O-])c1)c1ccc(OC)c(OC)c1 ZINC000492439078 478989604 /nfs/dbraw/zinc/98/96/04/478989604.db2.gz KLCXACILGMSSDE-VMPITWQZSA-N -1 3 328.368 2.871 20 10 EFCDHM CC(=O)Nc1cccc2c1CCCN2C(=O)/C=C\c1cncc([O-])c1 ZINC000492441942 478990534 /nfs/dbraw/zinc/99/05/34/478990534.db2.gz OHBVOHQHPNCJNG-FPLPWBNLSA-N -1 3 337.379 2.738 20 10 EFCDHM COc1ncc(/C=C\C(=O)N2CC[C@H](C)c3cccc([O-])c32)cn1 ZINC000492647307 479012241 /nfs/dbraw/zinc/01/22/41/479012241.db2.gz JDGIKILHSZJHDL-DGMVEKRQSA-N -1 3 325.368 2.744 20 10 EFCDHM CC[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1ccc(F)cc1[O-] ZINC000286249397 535955440 /nfs/dbraw/zinc/95/54/40/535955440.db2.gz UMUAGMYORLIHLL-HNNXBMFYSA-N -1 3 332.379 2.570 20 10 EFCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000268824205 545629252 /nfs/dbraw/zinc/62/92/52/545629252.db2.gz KVOVKCKJJYFKIT-BSNNYGBQSA-N -1 3 334.397 2.889 20 10 EFCDHM CN(Cc1c([O-])ccc2ccncc21)c1ccc(S(C)(=O)=O)cc1 ZINC000754745910 575481727 /nfs/dbraw/zinc/48/17/27/575481727.db2.gz GCCGBHDXAPZAJY-UHFFFAOYSA-N -1 3 342.420 2.980 20 10 EFCDHM O=C([O-])c1cccc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000756303498 575713882 /nfs/dbraw/zinc/71/38/82/575713882.db2.gz WGNJCZRETPTTKD-UHFFFAOYSA-N -1 3 326.396 2.511 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc3c(c2)OCO3)c1 ZINC000756342854 575720474 /nfs/dbraw/zinc/72/04/74/575720474.db2.gz MHQLZCAJDBHNRS-NSHDSACASA-N -1 3 329.352 2.758 20 10 EFCDHM CN(C)c1ccc(C[N-]C(=O)C(F)(F)c2nccs2)cc1F ZINC000756446280 575741057 /nfs/dbraw/zinc/74/10/57/575741057.db2.gz KSWALIKVMGWAIR-UHFFFAOYSA-N -1 3 329.347 2.756 20 10 EFCDHM C[C@@H](NCc1cnn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756449098 575741479 /nfs/dbraw/zinc/74/14/79/575741479.db2.gz IIMHGLDRDMCASQ-MRVPVSSYSA-N -1 3 328.185 2.878 20 10 EFCDHM CNC(=O)c1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756466961 575743314 /nfs/dbraw/zinc/74/33/14/575743314.db2.gz RRDLJWXBYBDNLY-NSHDSACASA-N -1 3 329.356 2.511 20 10 EFCDHM CCn1nc(C)c(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1C ZINC000756536258 575757064 /nfs/dbraw/zinc/75/70/64/575757064.db2.gz RTKKIAAIWWWQLW-LLVKDONJSA-N -1 3 331.416 2.863 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2csc(N(C)C)n2)c1 ZINC000756635395 575771170 /nfs/dbraw/zinc/77/11/70/575771170.db2.gz FZAZNDSPFZZGHV-SNVBAGLBSA-N -1 3 335.429 2.552 20 10 EFCDHM C[C@H](N[C@H]1CCCN(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756636597 575771342 /nfs/dbraw/zinc/77/13/42/575771342.db2.gz FHMBVGTWUQXMII-UFBFGSQYSA-N -1 3 345.212 2.565 20 10 EFCDHM C[C@H](N[C@H]1CCCN(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756637880 575771525 /nfs/dbraw/zinc/77/15/25/575771525.db2.gz KLIVIHCQXPHRFG-UFBFGSQYSA-N -1 3 345.212 2.565 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CO)c2ccccc2OC)c1 ZINC000756711094 575779837 /nfs/dbraw/zinc/77/98/37/575779837.db2.gz IOJRWNZHJDQIGV-BLLLJJGKSA-N -1 3 345.395 2.572 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc([S@@](C)=O)cc2)c1 ZINC000756738940 575782860 /nfs/dbraw/zinc/78/28/60/575782860.db2.gz IJKDPDHFRYWTSX-FNODVLLQSA-N -1 3 347.436 2.767 20 10 EFCDHM COCCOCCN(Cc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000757437344 575839513 /nfs/dbraw/zinc/83/95/13/575839513.db2.gz RLHFPXKILVFSLD-UHFFFAOYSA-N -1 3 335.425 2.759 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)C(=O)NCC3)c1 ZINC000757615363 575845374 /nfs/dbraw/zinc/84/53/74/575845374.db2.gz YEPLORBFGPYGFQ-NSHDSACASA-N -1 3 340.379 2.638 20 10 EFCDHM C[C@H]1C[C@@H](Nc2cnn(CC(=O)NC3CC3)c2)c2c1c(F)ccc2[O-] ZINC000757636288 575846558 /nfs/dbraw/zinc/84/65/58/575846558.db2.gz GBBMQBYWRVTLAZ-IINYFYTJSA-N -1 3 344.390 2.667 20 10 EFCDHM O=S1(=O)CCc2cc(CNCc3cc(Cl)ccc3[O-])ccc21 ZINC000757692854 575850088 /nfs/dbraw/zinc/85/00/88/575850088.db2.gz IWKQRSRYRXLEDE-UHFFFAOYSA-N -1 3 337.828 2.665 20 10 EFCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000761574218 576182218 /nfs/dbraw/zinc/18/22/18/576182218.db2.gz ZXUYVCAAAIZKJV-NSHDSACASA-N -1 3 328.397 2.516 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1Cc1cccc(F)n1 ZINC000761625390 576189602 /nfs/dbraw/zinc/18/96/02/576189602.db2.gz FJGFZMWLKKAAFZ-UHFFFAOYSA-N -1 3 349.749 2.544 20 10 EFCDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000762544097 576311762 /nfs/dbraw/zinc/31/17/62/576311762.db2.gz GBOTVKKQAQPWJV-SNVBAGLBSA-N -1 3 326.418 2.535 20 10 EFCDHM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000762549688 576312057 /nfs/dbraw/zinc/31/20/57/576312057.db2.gz NRLPLLSHQHUQEA-LLVKDONJSA-N -1 3 340.445 2.973 20 10 EFCDHM O=C1CN(Cc2c([O-])ccc3ccncc32)CCN1c1ccccc1 ZINC000764949739 576527646 /nfs/dbraw/zinc/52/76/46/576527646.db2.gz JSAGTHOAUKMHLH-UHFFFAOYSA-N -1 3 333.391 2.789 20 10 EFCDHM COc1cccc([O-])c1CNCC(=O)Nc1cccc2cccnc21 ZINC000725851074 577250454 /nfs/dbraw/zinc/25/04/54/577250454.db2.gz NBUGTVOYYSSLGR-UHFFFAOYSA-N -1 3 337.379 2.677 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(CCOc2ccccc2)CC1 ZINC000768193331 577260344 /nfs/dbraw/zinc/26/03/44/577260344.db2.gz KUQSHKDDMJOWDU-UHFFFAOYSA-N -1 3 342.439 2.597 20 10 EFCDHM CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2cc([O-])cs2)C1 ZINC000745003124 577262758 /nfs/dbraw/zinc/26/27/58/577262758.db2.gz XVBCNYGBIMNTAD-SNVBAGLBSA-N -1 3 327.402 2.868 20 10 EFCDHM CCN(CC)C(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768294985 577264839 /nfs/dbraw/zinc/26/48/39/577264839.db2.gz GMSCVLZLRSWXNO-UHFFFAOYSA-N -1 3 325.840 2.625 20 10 EFCDHM Cc1ccccc1[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768444783 577274180 /nfs/dbraw/zinc/27/41/80/577274180.db2.gz CUKMWZDPKXFLMM-QUCCMNQESA-N -1 3 341.407 2.700 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@@H](c3ccccc3F)C1)[C@H](O)CO2 ZINC000768449297 577274752 /nfs/dbraw/zinc/27/47/52/577274752.db2.gz FZNDDGIDZUJWSR-IEBWSBKVSA-N -1 3 345.370 2.531 20 10 EFCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H](c2ccsc2)O1 ZINC000768462579 577276000 /nfs/dbraw/zinc/27/60/00/577276000.db2.gz ALJYHTJRILSUIC-VOZBZGINSA-N -1 3 347.436 2.842 20 10 EFCDHM COc1cc2c(cc1NC(=O)c1ccc(C)c(O)c1[O-])NC(=O)CC2 ZINC000768575589 577284778 /nfs/dbraw/zinc/28/47/78/577284778.db2.gz XXNLNFMHXPVLEA-UHFFFAOYSA-N -1 3 342.351 2.552 20 10 EFCDHM CCOc1ccc(CN2CCN(C(=O)c3ccsc3)CC2)c([O-])c1 ZINC000768929538 577317212 /nfs/dbraw/zinc/31/72/12/577317212.db2.gz JCJXWAXUACWNCM-UHFFFAOYSA-N -1 3 346.452 2.810 20 10 EFCDHM COCCN(CC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000769232176 577345992 /nfs/dbraw/zinc/34/59/92/577345992.db2.gz ILPNMQWLMGOHGB-UHFFFAOYSA-N -1 3 329.824 2.836 20 10 EFCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000769415869 577360959 /nfs/dbraw/zinc/36/09/59/577360959.db2.gz ZZDDRBVVWHHTKA-HIFRSBDPSA-N -1 3 329.849 2.587 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CN1CCOC2(CCOCC2)CC1 ZINC000769556812 577372311 /nfs/dbraw/zinc/37/23/11/577372311.db2.gz SQBHUWZMMHWJMB-UHFFFAOYSA-N -1 3 329.799 2.956 20 10 EFCDHM COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(C)c(C)c1 ZINC000769623847 577375845 /nfs/dbraw/zinc/37/58/45/577375845.db2.gz BRYZMGGXFKWDGW-OAHLLOKOSA-N -1 3 343.379 2.667 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(=O)[O-])CC2)c1[O-] ZINC000738051021 577393396 /nfs/dbraw/zinc/39/33/96/577393396.db2.gz GJGSISNEQXDDSK-UHFFFAOYSA-N -1 3 343.379 2.629 20 10 EFCDHM CCC[C@H]1CN(Cc2c([O-])cccc2Cl)CCN1CCOC ZINC000770284475 577409818 /nfs/dbraw/zinc/40/98/18/577409818.db2.gz RLVUDTKUNDPXLD-AWEZNQCLSA-N -1 3 326.868 2.978 20 10 EFCDHM COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccccc1 ZINC000770501377 577421913 /nfs/dbraw/zinc/42/19/13/577421913.db2.gz FLFFLCQCJXQFNJ-SWLSCSKDSA-N -1 3 343.379 2.686 20 10 EFCDHM CC[C@@H](OC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771053675 581169225 /nfs/dbraw/zinc/16/92/25/581169225.db2.gz PPCKZHAYFIRINW-GDBMZVCRSA-N -1 3 340.851 2.551 20 10 EFCDHM CCOc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000771930339 581261126 /nfs/dbraw/zinc/26/11/26/581261126.db2.gz YXEZKGZWAOYRPQ-UHFFFAOYSA-N -1 3 340.423 2.749 20 10 EFCDHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cs1 ZINC000772584637 581343921 /nfs/dbraw/zinc/34/39/21/581343921.db2.gz YQPINGQAUGCHAB-QWRGUYRKSA-N -1 3 340.445 2.972 20 10 EFCDHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(N(C)C)cc1 ZINC000772997348 581386633 /nfs/dbraw/zinc/38/66/33/581386633.db2.gz HEJGNIJZKZDCTM-LBPRGKRZSA-N -1 3 336.395 2.892 20 10 EFCDHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773084322 581395177 /nfs/dbraw/zinc/39/51/77/581395177.db2.gz OYVPTHRRZMKNGR-NSHDSACASA-N -1 3 340.470 2.862 20 10 EFCDHM C[C@H](NCc1nnnn1C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774258620 581488252 /nfs/dbraw/zinc/48/82/52/581488252.db2.gz ODPQHPYMTGXVGX-ZETCQYMHSA-N -1 3 328.203 2.871 20 10 EFCDHM COc1c([O-])c(CN2CCN(C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000774828316 581501789 /nfs/dbraw/zinc/50/17/89/581501789.db2.gz WGURTPLLQMHQOU-UHFFFAOYSA-N -1 3 349.431 2.759 20 10 EFCDHM Cc1ccc(S(=O)(=O)CCCOC(=O)c2cc([O-])cs2)cc1 ZINC000774949606 581504930 /nfs/dbraw/zinc/50/49/30/581504930.db2.gz SAWUMTNENVTBAS-UHFFFAOYSA-N -1 3 340.422 2.783 20 10 EFCDHM S=C(NNc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400586 598316234 /nfs/dbraw/zinc/31/62/34/598316234.db2.gz HGWNULVUUHEBBU-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM S=C(NNc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400586 598316236 /nfs/dbraw/zinc/31/62/36/598316236.db2.gz HGWNULVUUHEBBU-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM C[C@@H]1CN2CCCC[C@H]2CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000393047915 600313589 /nfs/dbraw/zinc/31/35/89/600313589.db2.gz KMLHDBCLZAGOMR-HYWNAFCQSA-N -1 3 345.399 2.756 20 10 EFCDHM C[C@@H]1CN2CCCC[C@H]2CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000393047910 600313840 /nfs/dbraw/zinc/31/38/40/600313840.db2.gz KMLHDBCLZAGOMR-BZDCKHMYSA-N -1 3 345.399 2.756 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC000831353712 601891377 /nfs/dbraw/zinc/89/13/77/601891377.db2.gz PCVGMMMWUUFCFQ-LJQANCHMSA-N -1 3 343.379 2.629 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC000831353712 601891380 /nfs/dbraw/zinc/89/13/80/601891380.db2.gz PCVGMMMWUUFCFQ-LJQANCHMSA-N -1 3 343.379 2.629 20 10 EFCDHM COc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1O ZINC000826215971 608377237 /nfs/dbraw/zinc/37/72/37/608377237.db2.gz FDZXEIHGZCWODD-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM COc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1O ZINC000826215971 608377240 /nfs/dbraw/zinc/37/72/40/608377240.db2.gz FDZXEIHGZCWODD-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM CC(C)CC1(C)CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000851708843 1251211616 /nfs/dbraw/zinc/21/16/16/1251211616.db2.gz MXUXXYDHMNHBLI-UHFFFAOYSA-N -1 3 346.431 2.781 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000824920302 1278354230 /nfs/dbraw/zinc/35/42/30/1278354230.db2.gz JRBIXQFLAIHCPW-LSDHHAIUSA-N -1 3 342.233 2.535 20 10 EFCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1OC ZINC000740706462 1269031495 /nfs/dbraw/zinc/03/14/95/1269031495.db2.gz ZJPFCFGOAWNIAO-UHFFFAOYSA-N -1 3 337.397 2.827 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H]2NC(=O)c3c(Cl)cccc3N2)c1 ZINC000742443478 1270056709 /nfs/dbraw/zinc/05/67/09/1270056709.db2.gz KKAGNLHGFYJEGB-CQSZACIVSA-N -1 3 332.743 2.686 20 10 EFCDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000825440561 1278549651 /nfs/dbraw/zinc/54/96/51/1278549651.db2.gz JJOCAAPOHCBYFH-OCCSQVGLSA-N -1 3 327.808 2.506 20 10 EFCDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000825440563 1278549999 /nfs/dbraw/zinc/54/99/99/1278549999.db2.gz JJOCAAPOHCBYFH-TZMCWYRMSA-N -1 3 327.808 2.506 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000792170717 1278609916 /nfs/dbraw/zinc/60/99/16/1278609916.db2.gz WGMMGFLLEYHSQZ-GFCCVEGCSA-N -1 3 329.799 2.955 20 10 EFCDHM C[C@H](C[C@@H](C)NC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000843936923 1278688280 /nfs/dbraw/zinc/68/82/80/1278688280.db2.gz TWKGKAHVFCCLJM-GHMZBOCLSA-N -1 3 338.404 2.519 20 10 EFCDHM Cn1cc(Cl)c(CNCc2c([O-])cccc2Br)n1 ZINC000706872207 1275065439 /nfs/dbraw/zinc/06/54/39/1275065439.db2.gz MXTBPBMMJWKGOP-UHFFFAOYSA-N -1 3 330.613 2.831 20 10 EFCDHM C[C@H](NCc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC000707255697 1275485535 /nfs/dbraw/zinc/48/55/35/1275485535.db2.gz UVIVQBKSFGANQX-VIFPVBQESA-N -1 3 330.222 2.975 20 10 EFCDHM Cn1nc(C2CC2)cc1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000922947827 1276390623 /nfs/dbraw/zinc/39/06/23/1276390623.db2.gz JWYPPOMWQAIBAE-UHFFFAOYSA-N -1 3 336.779 2.855 20 10 EFCDHM CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(C)cc1[O-] ZINC000819697679 1276878093 /nfs/dbraw/zinc/87/80/93/1276878093.db2.gz YXZRJHBZUUZYCL-UHFFFAOYSA-N -1 3 343.379 2.612 20 10 EFCDHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000790324998 1277427351 /nfs/dbraw/zinc/42/73/51/1277427351.db2.gz GHEWNPMGEUKOGX-GJZGRUSLSA-N -1 3 342.443 2.739 20 10 EFCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000790342205 1277477772 /nfs/dbraw/zinc/47/77/72/1277477772.db2.gz RUEXESNMWHROJN-UHFFFAOYSA-N -1 3 333.287 2.934 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000790416371 1277528154 /nfs/dbraw/zinc/52/81/54/1277528154.db2.gz VMKRJAGXLKPOMC-UHFFFAOYSA-N -1 3 349.408 2.850 20 10 EFCDHM Cn1c(CNC(=O)c2cccc(O)c2[O-])nc2cc(Cl)ccc21 ZINC000790943289 1277868844 /nfs/dbraw/zinc/86/88/44/1277868844.db2.gz IVZQZPRPLAGDNZ-UHFFFAOYSA-N -1 3 331.759 2.568 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c([O-])c1O ZINC000792831152 1279190031 /nfs/dbraw/zinc/19/00/31/1279190031.db2.gz KLELRJXQKYEMKL-CYBMUJFWSA-N -1 3 342.395 2.884 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)c(F)cc2[O-])CC[C@@]1(C)O ZINC001144298405 1279385227 /nfs/dbraw/zinc/38/52/27/1279385227.db2.gz CYWITOSVNZZAST-YMTOWFKASA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CCC2(COC2)CC1 ZINC001144299491 1279386442 /nfs/dbraw/zinc/38/64/42/1279386442.db2.gz YFGMZUDTBYWTMC-UHFFFAOYSA-N -1 3 330.197 2.906 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)c(F)cc2[O-])CCC[C@@H]1O ZINC001144298846 1279387421 /nfs/dbraw/zinc/38/74/21/1279387421.db2.gz LANOXCYYKROFLS-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC(N2CCCC2)C1 ZINC001144299892 1279388537 /nfs/dbraw/zinc/38/85/37/1279388537.db2.gz LRLYVDIYUWRIKI-UHFFFAOYSA-N -1 3 329.213 2.574 20 10 EFCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793363915 1279570962 /nfs/dbraw/zinc/57/09/62/1279570962.db2.gz YXRDFZOBRCKLGP-ABAIWWIYSA-N -1 3 342.233 2.535 20 10 EFCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793363916 1279571472 /nfs/dbraw/zinc/57/14/72/1279571472.db2.gz YXRDFZOBRCKLGP-IAQYHMDHSA-N -1 3 342.233 2.535 20 10 EFCDHM COCC(C)(C)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000822497956 1289015370 /nfs/dbraw/zinc/01/53/70/1289015370.db2.gz PRMUKWONVRVUDU-UHFFFAOYSA-N -1 3 330.831 2.727 20 10 EFCDHM C[C@@H](NCc1cnnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000806659794 1281115232 /nfs/dbraw/zinc/11/52/32/1281115232.db2.gz FQAHRQTXYLXVSG-SSDOTTSWSA-N -1 3 345.628 2.787 20 10 EFCDHM Cc1c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cnn1C ZINC001147471424 1281177923 /nfs/dbraw/zinc/17/79/23/1281177923.db2.gz WFRRGRNXCNRULI-UHFFFAOYSA-N -1 3 330.775 2.566 20 10 EFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCN1C1CC1 ZINC000807835825 1281446569 /nfs/dbraw/zinc/44/65/69/1281446569.db2.gz APGBEGHGQFMCJQ-ZDUSSCGKSA-N -1 3 329.227 2.942 20 10 EFCDHM COc1ccc(Br)nc1NC(=O)c1cccc(O)c1[O-] ZINC001148212181 1281453641 /nfs/dbraw/zinc/45/36/41/1281453641.db2.gz PWISAYKARIJULI-UHFFFAOYSA-N -1 3 339.145 2.516 20 10 EFCDHM O=C(NCCCc1cncc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001148212715 1281454028 /nfs/dbraw/zinc/45/40/28/1281454028.db2.gz HRJSFQSFVPQXJK-UHFFFAOYSA-N -1 3 340.301 2.874 20 10 EFCDHM COc1ccc(-c2nnsc2NC(=O)c2cccc(O)c2[O-])cc1 ZINC001148212492 1281454318 /nfs/dbraw/zinc/45/43/18/1281454318.db2.gz ZNAVLXJIQIUCGZ-UHFFFAOYSA-N -1 3 343.364 2.877 20 10 EFCDHM COC(=O)[C@@H]1CCc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC001148220133 1281457125 /nfs/dbraw/zinc/45/71/25/1281457125.db2.gz SIQMQWDGRPAEEB-CYBMUJFWSA-N -1 3 327.336 2.553 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001148219140 1281457805 /nfs/dbraw/zinc/45/78/05/1281457805.db2.gz UYBJZAHNTSBPKO-LBPRGKRZSA-N -1 3 327.262 2.595 20 10 EFCDHM COc1cccc2c1SC[C@@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC001148225061 1281459930 /nfs/dbraw/zinc/45/99/30/1281459930.db2.gz CUSFVPKVTJIZKG-NSHDSACASA-N -1 3 331.393 2.553 20 10 EFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001148584122 1281660459 /nfs/dbraw/zinc/66/04/59/1281660459.db2.gz OVZGPWCTPNRQOB-AWEZNQCLSA-N -1 3 327.380 2.898 20 10 EFCDHM Nc1cc(F)c(C(F)(F)F)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586076 1281661809 /nfs/dbraw/zinc/66/18/09/1281661809.db2.gz HTAHKYHUVUDVSO-UHFFFAOYSA-N -1 3 346.236 2.796 20 10 EFCDHM CCc1cc2c(cc1CC)CC(NC(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001148590739 1281663497 /nfs/dbraw/zinc/66/34/97/1281663497.db2.gz OEFMULPUAUTZFH-UHFFFAOYSA-N -1 3 341.407 2.825 20 10 EFCDHM COc1c([O-])c(CNc2ccc3c(c2)C(=O)OC3)ccc1[N+](=O)[O-] ZINC000809789482 1282488666 /nfs/dbraw/zinc/48/86/66/1282488666.db2.gz YQLIMWJHZJBREJ-UHFFFAOYSA-N -1 3 330.296 2.592 20 10 EFCDHM C[C@H](NCc1nnnn1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595347 1287622801 /nfs/dbraw/zinc/62/28/01/1287622801.db2.gz OOEOVMZZIPVUTM-QMMMGPOBSA-N -1 3 327.310 2.583 20 10 EFCDHM O=C(CCc1cn[nH]c1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001175964683 1287626828 /nfs/dbraw/zinc/62/68/28/1287626828.db2.gz SJGMTGAZMRUEGO-UHFFFAOYSA-N -1 3 330.775 2.566 20 10 EFCDHM CCOc1cc(O)ccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000811701431 1284548126 /nfs/dbraw/zinc/54/81/26/1284548126.db2.gz WIUUWUGRWWNQFE-UHFFFAOYSA-N -1 3 327.427 2.837 20 10 EFCDHM Cc1cc([O-])c([C@@H]2NC(=O)[C@@H]3Cc4ccccc4CN23)cc1Cl ZINC000871601228 1287168507 /nfs/dbraw/zinc/16/85/07/1287168507.db2.gz HUFFWAAUXOYONB-DOTOQJQBSA-N -1 3 328.799 2.909 20 10 EFCDHM CS(=O)(=O)c1ccc(CNCc2cc(Cl)c(F)cc2[O-])s1 ZINC000816588866 1288208586 /nfs/dbraw/zinc/20/85/86/1288208586.db2.gz CXMMGMWRWUIYIH-UHFFFAOYSA-N -1 3 349.836 2.940 20 10 EFCDHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000817356370 1288548012 /nfs/dbraw/zinc/54/80/12/1288548012.db2.gz JZVJCNOUJZZMLK-LBPRGKRZSA-N -1 3 333.475 2.917 20 10 EFCDHM CN1CCCC[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001178701853 1288877414 /nfs/dbraw/zinc/87/74/14/1288877414.db2.gz PEHKLSICYRAPSK-CQSZACIVSA-N -1 3 333.819 2.694 20 10 EFCDHM COC(=O)CN(Cc1ccncc1F)Cc1cc(Cl)ccc1[O-] ZINC000823444278 1289301676 /nfs/dbraw/zinc/30/16/76/1289301676.db2.gz QWJRPNRZLSARBG-UHFFFAOYSA-N -1 3 338.766 2.755 20 10 EFCDHM COC(=O)C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824498105 1289690298 /nfs/dbraw/zinc/69/02/98/1289690298.db2.gz WOGVYSQNUHONPF-UHFFFAOYSA-N -1 3 328.206 2.540 20 10 EFCDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000824616633 1289728024 /nfs/dbraw/zinc/72/80/24/1289728024.db2.gz XWNMHJCPCMDWKH-LLVKDONJSA-N -1 3 330.787 2.847 20 10 EFCDHM [O-]c1c(Br)cccc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000091856234 1290553021 /nfs/dbraw/zinc/55/30/21/1290553021.db2.gz BCTKCLVYYPWDLB-QWHCGFSZSA-N -1 3 344.274 2.861 20 10 EFCDHM CC1(C)COCCN1Cc1ccc(I)cc1[O-] ZINC001232979425 1312824071 /nfs/dbraw/zinc/82/40/71/1312824071.db2.gz YEUZSXIEHKKKCK-UHFFFAOYSA-N -1 3 347.196 2.608 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CCC[C@@H]1CF ZINC001232977966 1312824242 /nfs/dbraw/zinc/82/42/42/1312824242.db2.gz SNPASJNEVCVUNQ-LLVKDONJSA-N -1 3 335.160 2.931 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CC2(CSC2)C1 ZINC001232978071 1312824550 /nfs/dbraw/zinc/82/45/50/1312824550.db2.gz WMNNACRDRUOGPZ-UHFFFAOYSA-N -1 3 347.221 2.546 20 10 EFCDHM [O-]c1ccc(Br)cc1CN(CCO)CC(F)(F)F ZINC001203650360 1291065408 /nfs/dbraw/zinc/06/54/08/1291065408.db2.gz QATYLOLBAIWUCH-UHFFFAOYSA-N -1 3 328.128 2.511 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC001233029165 1312835966 /nfs/dbraw/zinc/83/59/66/1312835966.db2.gz AODZZPWPDOYYFU-OTYXRUKQSA-N -1 3 330.197 2.905 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@]2(CCOC2)C1 ZINC001233028805 1312836522 /nfs/dbraw/zinc/83/65/22/1312836522.db2.gz VPHCRCSJVGEABX-AWEZNQCLSA-N -1 3 330.197 2.906 20 10 EFCDHM C[C@@H]1CN=C(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)S1 ZINC000093663022 1291189345 /nfs/dbraw/zinc/18/93/45/1291189345.db2.gz CZRJFADKLJONPR-LLVKDONJSA-N -1 3 325.865 2.655 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1(C(=O)C2CC2)CC1 ZINC001187653370 1291215633 /nfs/dbraw/zinc/21/56/33/1291215633.db2.gz PPBWPXFDTOKSEI-UHFFFAOYSA-N -1 3 344.798 2.969 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CNC[C@@H](n1cncn1)C(F)(F)F ZINC000877675563 1291324285 /nfs/dbraw/zinc/32/42/85/1291324285.db2.gz QUNHLJHGTWBGBX-SNVBAGLBSA-N -1 3 338.692 2.669 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CNC[C@H](n1cncn1)C(F)(F)F ZINC000877675562 1291325543 /nfs/dbraw/zinc/32/55/43/1291325543.db2.gz QUNHLJHGTWBGBX-JTQLQIEISA-N -1 3 338.692 2.669 20 10 EFCDHM Cc1cnc(O[C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233080568 1312852068 /nfs/dbraw/zinc/85/20/68/1312852068.db2.gz WVILVKJXFNWQPN-CYBMUJFWSA-N -1 3 335.354 2.812 20 10 EFCDHM Cc1n[nH]c(C)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001188605957 1291418331 /nfs/dbraw/zinc/41/83/31/1291418331.db2.gz QCHRJXHKDXLKTR-UHFFFAOYSA-N -1 3 330.775 2.864 20 10 EFCDHM CC[C@@]12C[C@@H](CO1)N(Cc1cc(Br)c(OC)cc1[O-])C2 ZINC001233141011 1312864608 /nfs/dbraw/zinc/86/46/08/1312864608.db2.gz BXRYYLRVXKCUJI-NHYWBVRUSA-N -1 3 342.233 2.917 20 10 EFCDHM COc1cc([O-])c(CN2CCOC[C@H]2C2CC2)cc1Br ZINC001233142508 1312865310 /nfs/dbraw/zinc/86/53/10/1312865310.db2.gz SWSOHONHMCRPCZ-ZDUSSCGKSA-N -1 3 342.233 2.774 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@@]23CCOC3)cc1Br ZINC001233141676 1312865539 /nfs/dbraw/zinc/86/55/39/1312865539.db2.gz JVTGACCGTBQGQZ-AWEZNQCLSA-N -1 3 328.206 2.528 20 10 EFCDHM Cc1cc([O-])c(CN2CC(=O)N(CCC(F)(F)F)C2)cc1Cl ZINC000826049073 1291715589 /nfs/dbraw/zinc/71/55/89/1291715589.db2.gz OJRFPFHULSFERD-UHFFFAOYSA-N -1 3 336.741 2.908 20 10 EFCDHM Cc1cc([O-])c(CN2CCCC[C@@H]2CS(C)(=O)=O)cc1Cl ZINC000826064979 1291752827 /nfs/dbraw/zinc/75/28/27/1291752827.db2.gz SBFIFBLGXNSDSZ-CYBMUJFWSA-N -1 3 331.865 2.753 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CCCC[C@](O)(C(F)(F)F)C1 ZINC001233332510 1312904564 /nfs/dbraw/zinc/90/45/64/1312904564.db2.gz NHLAPIPNMBCQNH-CYBMUJFWSA-N -1 3 325.277 2.950 20 10 EFCDHM CC(C)(C)OC(=O)N[C@H]1[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233332193 1312904689 /nfs/dbraw/zinc/90/46/89/1312904689.db2.gz BTQYCXIQZALNNJ-KEODLESXSA-N -1 3 340.370 2.625 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001233332167 1312904946 /nfs/dbraw/zinc/90/49/46/1312904946.db2.gz BBNCDEDGRRKYBP-ZDUSSCGKSA-N -1 3 325.277 2.950 20 10 EFCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233335612 1312905875 /nfs/dbraw/zinc/90/58/75/1312905875.db2.gz DCGIRCKLNXHKNN-MFKMUULPSA-N -1 3 340.370 2.722 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CCN(CCOc2ccccc2)CC1 ZINC001233334859 1312906017 /nfs/dbraw/zinc/90/60/17/1312906017.db2.gz XBDNPBMNOFDFOW-UHFFFAOYSA-N -1 3 348.393 2.867 20 10 EFCDHM COC(=O)N1CCCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233416526 1312927894 /nfs/dbraw/zinc/92/78/94/1312927894.db2.gz LOMMOSFWDWRXKL-UHFFFAOYSA-N -1 3 332.322 2.685 20 10 EFCDHM CC(=O)N(C)C1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419002 1312928760 /nfs/dbraw/zinc/92/87/60/1312928760.db2.gz FRUVQCMQFWQWLD-UHFFFAOYSA-N -1 3 330.350 2.854 20 10 EFCDHM O=C1OCCN1C1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418728 1312928799 /nfs/dbraw/zinc/92/87/99/1312928799.db2.gz SNEZEBNXPSGEKI-UHFFFAOYSA-N -1 3 344.333 2.828 20 10 EFCDHM Cc1[nH]nc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1C ZINC001191130318 1292488212 /nfs/dbraw/zinc/48/82/12/1292488212.db2.gz VWXYKEWLVKEWIV-UHFFFAOYSA-N -1 3 330.775 2.864 20 10 EFCDHM O=C1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCN1C1CCCC1 ZINC001233453992 1312934667 /nfs/dbraw/zinc/93/46/67/1312934667.db2.gz BZLJGJSOQAMLKY-UHFFFAOYSA-N -1 3 342.361 2.998 20 10 EFCDHM O=S(=O)([N-]Cc1ccc(O)cc1O)c1c(Cl)cccc1Cl ZINC001191531251 1292560196 /nfs/dbraw/zinc/56/01/96/1292560196.db2.gz SVVWZFNPSUALCQ-UHFFFAOYSA-N -1 3 348.207 2.883 20 10 EFCDHM C[C@@H]1CN(C2CN(Cc3ccc(C(F)(F)F)cc3[O-])C2)C[C@H](C)O1 ZINC001233455720 1312936257 /nfs/dbraw/zinc/93/62/57/1312936257.db2.gz WBVPGGHAHLCDIY-TXEJJXNPSA-N -1 3 344.377 2.704 20 10 EFCDHM CCc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])nn1C ZINC001191654752 1292607001 /nfs/dbraw/zinc/60/70/01/1292607001.db2.gz LEHZWOLFQDITIZ-UHFFFAOYSA-N -1 3 344.802 2.820 20 10 EFCDHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC001192804671 1293055640 /nfs/dbraw/zinc/05/56/40/1293055640.db2.gz ATXRLSWQYCWQPW-UHFFFAOYSA-N -1 3 325.361 2.903 20 10 EFCDHM C[C@]1(CO)CC(F)(F)CN1Cc1cc(Br)ccc1[O-] ZINC001203636597 1312977434 /nfs/dbraw/zinc/97/74/34/1312977434.db2.gz YCNHZVVTFYFHCX-GFCCVEGCSA-N -1 3 336.176 2.747 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001203651476 1312981342 /nfs/dbraw/zinc/98/13/42/1312981342.db2.gz PXACEMBLKUCFLR-NEPJUHHUSA-N -1 3 327.705 2.883 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001203655724 1312982476 /nfs/dbraw/zinc/98/24/76/1312982476.db2.gz BRFGNGMKXBAHFB-UHFFFAOYSA-N -1 3 346.862 2.854 20 10 EFCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cn(C)nc21 ZINC001203655920 1312982658 /nfs/dbraw/zinc/98/26/58/1312982658.db2.gz FGBLOQUWHLHJKE-CQSZACIVSA-N -1 3 335.835 2.915 20 10 EFCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cnn(C)c21 ZINC001203656149 1312982674 /nfs/dbraw/zinc/98/26/74/1312982674.db2.gz JNSBJFSXLJBDKY-CQSZACIVSA-N -1 3 335.835 2.915 20 10 EFCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC001203663962 1312984019 /nfs/dbraw/zinc/98/40/19/1312984019.db2.gz IEYUDKJICWHAGX-UHFFFAOYSA-N -1 3 340.807 2.625 20 10 EFCDHM COc1ccc(CNCc2cc(F)cc(F)c2[O-])c(OC)c1OC ZINC000882903207 1293377653 /nfs/dbraw/zinc/37/76/53/1293377653.db2.gz XWEATQNRFJGGEU-UHFFFAOYSA-N -1 3 339.338 2.986 20 10 EFCDHM O=C(Nc1ccnn1-c1ccncc1)c1cc(O)c([O-])c(Cl)c1 ZINC001193605335 1293390903 /nfs/dbraw/zinc/39/09/03/1293390903.db2.gz DWLGHMVCMXMBTA-UHFFFAOYSA-N -1 3 330.731 2.584 20 10 EFCDHM COc1ccccc1N1CC[C@H](NCc2cc(F)cc(F)c2[O-])C1=O ZINC000883038595 1293439138 /nfs/dbraw/zinc/43/91/38/1293439138.db2.gz MYCYLMIHFZNPIU-AWEZNQCLSA-N -1 3 348.349 2.574 20 10 EFCDHM Cc1ccc([O-])c(C(=O)NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001195332534 1293906289 /nfs/dbraw/zinc/90/62/89/1293906289.db2.gz XUJPKCYMBXQBFB-UHFFFAOYSA-N -1 3 343.770 2.933 20 10 EFCDHM Cc1ccc(O)c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001195332534 1293906293 /nfs/dbraw/zinc/90/62/93/1293906293.db2.gz XUJPKCYMBXQBFB-UHFFFAOYSA-N -1 3 343.770 2.933 20 10 EFCDHM [O-]c1cccnc1CNC(=S)Nc1c(F)c(F)cc(F)c1F ZINC001197417611 1294545233 /nfs/dbraw/zinc/54/52/33/1294545233.db2.gz MSIQPHXRTXLVNZ-UHFFFAOYSA-N -1 3 331.294 2.830 20 10 EFCDHM [O-]c1cccc(Br)c1CN[C@@H](CCO)C(F)(F)F ZINC000886369802 1294900205 /nfs/dbraw/zinc/90/02/05/1294900205.db2.gz QAGCHGRTLHBMCG-JTQLQIEISA-N -1 3 328.128 2.558 20 10 EFCDHM [O-]c1ccc(Br)cc1CN[C@H](CCO)C(F)(F)F ZINC000886370917 1294903034 /nfs/dbraw/zinc/90/30/34/1294903034.db2.gz AKYILVCIIPNFIZ-SNVBAGLBSA-N -1 3 328.128 2.558 20 10 EFCDHM COc1ccc2ccc([O-])c(CN(CCO)CC(F)(F)F)c2c1 ZINC001234562210 1313158474 /nfs/dbraw/zinc/15/84/74/1313158474.db2.gz KIUPHBZEPWAZDQ-UHFFFAOYSA-N -1 3 329.318 2.911 20 10 EFCDHM C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])CC[C@@H]1O ZINC001235056835 1313232590 /nfs/dbraw/zinc/23/25/90/1313232590.db2.gz JDTPACIKZIITSC-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](F)[C@@H](O)CC1 ZINC001235057811 1313233828 /nfs/dbraw/zinc/23/38/28/1313233828.db2.gz TYRZUXDEEFQDJR-PWSUYJOCSA-N -1 3 336.176 2.589 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC(N2CCCC2)C1 ZINC001235064916 1313234419 /nfs/dbraw/zinc/23/44/19/1313234419.db2.gz KSKSBTKAQGFXRV-UHFFFAOYSA-N -1 3 329.213 2.574 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@H]2OCC[C@@H]2C1 ZINC001235305547 1313286779 /nfs/dbraw/zinc/28/67/79/1313286779.db2.gz NJWRDLDJSDNTSE-NOZJJQNGSA-N -1 3 330.197 2.905 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCc2nccn2CC1 ZINC001235306616 1313286962 /nfs/dbraw/zinc/28/69/62/1313286962.db2.gz WFAJBVNSVZGWDE-UHFFFAOYSA-N -1 3 340.196 2.549 20 10 EFCDHM COC(=O)[C@]1(C)CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235306435 1313287115 /nfs/dbraw/zinc/28/71/15/1313287115.db2.gz DZXNPASOFPMVCA-CQSZACIVSA-N -1 3 346.196 2.679 20 10 EFCDHM Nc1ccc2c(c1Nc1cncc([O-])c1)C(=O)c1ccccc1C2=O ZINC001201641596 1296993302 /nfs/dbraw/zinc/99/33/02/1296993302.db2.gz HLEBOLWDMAZFTO-UHFFFAOYSA-N -1 3 331.331 2.888 20 10 EFCDHM CSc1ccccc1NC(=O)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000776328240 1297683512 /nfs/dbraw/zinc/68/35/12/1297683512.db2.gz QHDSFGRJZCAXEX-UHFFFAOYSA-N -1 3 346.408 2.530 20 10 EFCDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793858 1313530822 /nfs/dbraw/zinc/53/08/22/1313530822.db2.gz QQLKTSPZBGTFSJ-CHWSQXEVSA-N -1 3 329.227 2.894 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)C3CC3)C2)c(Cl)c1 ZINC001236805802 1313531982 /nfs/dbraw/zinc/53/19/82/1313531982.db2.gz IZMRSLPYUYZVGG-GFCCVEGCSA-N -1 3 338.835 2.545 20 10 EFCDHM COc1cc([O-])c(CN2CCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC001236803383 1313532228 /nfs/dbraw/zinc/53/22/28/1313532228.db2.gz NENYWGFIVWAVIT-UHFFFAOYSA-N -1 3 338.757 2.734 20 10 EFCDHM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1c([O-])cc(OC)cc1Cl ZINC001236805978 1313533149 /nfs/dbraw/zinc/53/31/49/1313533149.db2.gz JXRNEHJLEOIMBS-HFBDOXOYSA-N -1 3 325.792 2.580 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)C(C)C)C2)c(Cl)c1 ZINC001236806478 1313533160 /nfs/dbraw/zinc/53/31/60/1313533160.db2.gz WWSQAUCKDPIEQG-GFCCVEGCSA-N -1 3 340.851 2.791 20 10 EFCDHM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1c([O-])cc(OC)cc1Cl ZINC001236805973 1313533417 /nfs/dbraw/zinc/53/34/17/1313533417.db2.gz JXRNEHJLEOIMBS-FTGAXOIBSA-N -1 3 325.792 2.580 20 10 EFCDHM COc1ccc(CN2CC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1Cl ZINC001236809914 1313533787 /nfs/dbraw/zinc/53/37/87/1313533787.db2.gz OYFLDYFGWGFQAB-ZDUSSCGKSA-N -1 3 349.818 2.806 20 10 EFCDHM COc1ccc(CN2CC[C@@H](Oc3nccc(C)n3)C2)c([O-])c1Cl ZINC001236817111 1313535752 /nfs/dbraw/zinc/53/57/52/1313535752.db2.gz CUXNGFVAXKIDCX-CYBMUJFWSA-N -1 3 349.818 2.806 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2cncnc2)c(Br)c1 ZINC001237067526 1313580924 /nfs/dbraw/zinc/58/09/24/1313580924.db2.gz JNYISMRWSPZXIP-UHFFFAOYSA-N -1 3 338.205 2.585 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](C)CC2)c(Br)c1 ZINC001237066033 1313580930 /nfs/dbraw/zinc/58/09/30/1313580930.db2.gz SQDMZKHKMWSFPL-JTQLQIEISA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(CN2CCC(C(C)=O)CC2)c(Br)c1 ZINC001237072073 1313581126 /nfs/dbraw/zinc/58/11/26/1313581126.db2.gz BXUBPIZZBWWUNH-UHFFFAOYSA-N -1 3 342.233 2.964 20 10 EFCDHM CCOC(=O)CN(CC)Cc1c([O-])cc(OC)cc1Br ZINC001237070511 1313582200 /nfs/dbraw/zinc/58/22/00/1313582200.db2.gz OEXXXXYTNNKQJS-UHFFFAOYSA-N -1 3 346.221 2.548 20 10 EFCDHM CC(C)(O)CN1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237087510 1313583960 /nfs/dbraw/zinc/58/39/60/1313583960.db2.gz YADXYWZPVDJNRM-UHFFFAOYSA-N -1 3 333.259 2.588 20 10 EFCDHM O=C1CCC2(CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)N1 ZINC001237087026 1313584010 /nfs/dbraw/zinc/58/40/10/1313584010.db2.gz SGIURCNDMFIAHJ-UHFFFAOYSA-N -1 3 329.227 2.944 20 10 EFCDHM COc1cc([O-])c(CN2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC001237062114 1313579319 /nfs/dbraw/zinc/57/93/19/1313579319.db2.gz KDQDSLKMWKXQRH-UWVGGRQHSA-N -1 3 330.222 2.773 20 10 EFCDHM Cc1cnc(O[C@H]2CCN(Cc3c([O-])ccc(F)c3Cl)C2)nc1 ZINC001237126068 1313591275 /nfs/dbraw/zinc/59/12/75/1313591275.db2.gz FMDJONBEPLZOFQ-NSHDSACASA-N -1 3 337.782 2.936 20 10 EFCDHM [O-]c1ccc(F)c(Cl)c1CN1CCN(CCc2ccccn2)CC1 ZINC001237124465 1313591467 /nfs/dbraw/zinc/59/14/67/1313591467.db2.gz MBPKULNMXRFHFC-UHFFFAOYSA-N -1 3 349.837 2.940 20 10 EFCDHM Cc1ccnc(O[C@H]2CCN(Cc3c([O-])ccc(F)c3Cl)C2)n1 ZINC001237129398 1313591616 /nfs/dbraw/zinc/59/16/16/1313591616.db2.gz YDNMEGRAYLNCFQ-NSHDSACASA-N -1 3 337.782 2.936 20 10 EFCDHM COC(=O)CN(CCOC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000109779625 1299339943 /nfs/dbraw/zinc/33/99/43/1299339943.db2.gz YNMXSVKEPWOPFU-UHFFFAOYSA-N -1 3 329.824 2.836 20 10 EFCDHM Cn1cnnc1Sc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776611728 1299783752 /nfs/dbraw/zinc/78/37/52/1299783752.db2.gz ATNBKRKHEXYJBL-UHFFFAOYSA-N -1 3 342.380 2.630 20 10 EFCDHM COC(=O)CN(CCc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC000111238294 1300081020 /nfs/dbraw/zinc/08/10/20/1300081020.db2.gz AHAGSCPKSBVBOJ-UHFFFAOYSA-N -1 3 334.803 2.658 20 10 EFCDHM CC(C)n1c(CNC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC000776658595 1300094912 /nfs/dbraw/zinc/09/49/12/1300094912.db2.gz UUDHMWXEDPSEBW-UHFFFAOYSA-N -1 3 325.368 2.958 20 10 EFCDHM O=C(Nc1ccc(NC(=O)c2cccc(O)c2[O-])cn1)c1ccccc1 ZINC000776662834 1300106902 /nfs/dbraw/zinc/10/69/02/1300106902.db2.gz BVZBEXHYSDEJNI-UHFFFAOYSA-N -1 3 349.346 2.997 20 10 EFCDHM Cc1nc(CN(C)Cc2cc(Br)c(C)cc2[O-])no1 ZINC001237677874 1313690235 /nfs/dbraw/zinc/69/02/35/1313690235.db2.gz QWUZNECYRCVVBH-UHFFFAOYSA-N -1 3 326.194 2.787 20 10 EFCDHM CC(=O)N1CCN(Cc2cc(Br)c(C)cc2[O-])C[C@@H]1C ZINC001237683340 1313691071 /nfs/dbraw/zinc/69/10/71/1313691071.db2.gz YMNCWHLYKLGLEF-NSHDSACASA-N -1 3 341.249 2.516 20 10 EFCDHM Cc1cc([O-])c(CN2C[C@@H](F)C[C@H](CO)C2)cc1Br ZINC001237675748 1313689046 /nfs/dbraw/zinc/68/90/46/1313689046.db2.gz AJGDQCHFXHMHCW-JQWIXIFHSA-N -1 3 332.213 2.615 20 10 EFCDHM Cc1ncsc1CN1CC2(C1)CN(Cc1cccc(F)c1[O-])C2 ZINC001276537472 1313702959 /nfs/dbraw/zinc/70/29/59/1313702959.db2.gz HVUWJKHKVKKAJE-UHFFFAOYSA-N -1 3 333.432 2.614 20 10 EFCDHM [O-]c1c(I)cccc1CN1CCC[C@H]2C[C@H]21 ZINC001237783329 1313704809 /nfs/dbraw/zinc/70/48/09/1313704809.db2.gz KCUHCUIYGHJMAM-JOYOIKCWSA-N -1 3 329.181 2.981 20 10 EFCDHM [O-]c1c(I)cccc1CN1CC2CC(C2)C1 ZINC001237784625 1313705413 /nfs/dbraw/zinc/70/54/13/1313705413.db2.gz VETCGEOXAITTLK-UHFFFAOYSA-N -1 3 329.181 2.839 20 10 EFCDHM [O-]c1c(I)cccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237783727 1313705456 /nfs/dbraw/zinc/70/54/56/1313705456.db2.gz NECOPTYYYCSGAC-DCAQKATOSA-N -1 3 347.171 2.929 20 10 EFCDHM CN(C)C(=O)[C@H]1CC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237935502 1313733529 /nfs/dbraw/zinc/73/35/29/1313733529.db2.gz BGLFJLMJPWJQRX-GFCCVEGCSA-N -1 3 340.826 2.875 20 10 EFCDHM CC(C)C(=O)NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237938095 1313734156 /nfs/dbraw/zinc/73/41/56/1313734156.db2.gz XROWMDKARPSYSG-UHFFFAOYSA-N -1 3 328.815 2.921 20 10 EFCDHM O=C1NC2(CO1)CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000753585675 1313785048 /nfs/dbraw/zinc/78/50/48/1313785048.db2.gz AMTGFROUDIATQH-UHFFFAOYSA-N -1 3 331.199 2.773 20 10 EFCDHM CSCCO[N-]C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000861469305 1302140006 /nfs/dbraw/zinc/14/00/06/1302140006.db2.gz IIHXRGQESPJVLP-UHFFFAOYSA-N -1 3 346.452 2.860 20 10 EFCDHM COCCCO[N-]C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000861697067 1302193903 /nfs/dbraw/zinc/19/39/03/1302193903.db2.gz SLLHPVJMLCHOKY-UHFFFAOYSA-N -1 3 344.411 2.533 20 10 EFCDHM CN(CC(=O)OC(C)(C)C)Cc1c([O-])cccc1Br ZINC000862236401 1302318467 /nfs/dbraw/zinc/31/84/67/1302318467.db2.gz AXGUKJMSMIPHAF-UHFFFAOYSA-N -1 3 330.222 2.928 20 10 EFCDHM CCOC(=O)[C@H](CC1CC1)NCc1c([O-])cccc1Br ZINC000862316106 1302332753 /nfs/dbraw/zinc/33/27/53/1302332753.db2.gz LCVWFBIZJTUDRK-ZDUSSCGKSA-N -1 3 342.233 2.976 20 10 EFCDHM CC(C)C[C@H]1C(=O)NCCN1Cc1c([O-])cccc1Br ZINC000862336237 1302337135 /nfs/dbraw/zinc/33/71/35/1302337135.db2.gz DERUEMMSVLQEEY-ZDUSSCGKSA-N -1 3 341.249 2.501 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)[C@@H](C)[C@@H]3C)c2c1 ZINC000122499614 1304687257 /nfs/dbraw/zinc/68/72/57/1304687257.db2.gz VHQGWIAVEMFSDJ-STQMWFEESA-N -1 3 349.452 2.561 20 10 EFCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)cc2n[n-]nc21 ZINC000800518620 1308033563 /nfs/dbraw/zinc/03/35/63/1308033563.db2.gz GDDCFCAQFOXWFM-UHFFFAOYSA-N -1 3 340.358 2.611 20 10 EFCDHM Cc1cc([O-])c(CN2CC3(CCN3C(=O)NC(C)C)C2)cc1Cl ZINC001276372069 1314234952 /nfs/dbraw/zinc/23/49/52/1314234952.db2.gz HERRTKHIESETLX-UHFFFAOYSA-N -1 3 337.851 2.732 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1[O-] ZINC000750837370 1311096532 /nfs/dbraw/zinc/09/65/32/1311096532.db2.gz JYTIVZMJRJJFJI-OQPBUACISA-N -1 3 335.297 2.886 20 10 EFCDHM C=CC(=O)OC[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940241 1311876453 /nfs/dbraw/zinc/87/64/53/1311876453.db2.gz JBMICHODUZPPLD-GFCCVEGCSA-N -1 3 342.347 2.825 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CCOC[C@H]1F ZINC001227941782 1311877238 /nfs/dbraw/zinc/87/72/38/1311877238.db2.gz WSHGRQFEWBQTLM-HIFRSBDPSA-N -1 3 332.327 2.835 20 10 EFCDHM C[C@@H]1COCC[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191576 1312059103 /nfs/dbraw/zinc/05/91/03/1312059103.db2.gz CSTSBWBAVDWMOG-ABAIWWIYSA-N -1 3 338.359 2.971 20 10 EFCDHM O=C1c2cccc(O[C@@H]3CN4CCC3CC4)c2C(=O)c2cccc([O-])c21 ZINC001229192332 1312059443 /nfs/dbraw/zinc/05/94/43/1312059443.db2.gz KJUHQOCLSJOYGY-QGZVFWFLSA-N -1 3 349.386 2.641 20 10 EFCDHM CC[C@H](COC)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192657 1312059751 /nfs/dbraw/zinc/05/97/51/1312059751.db2.gz ROUYOIOFGWJUAL-LLVKDONJSA-N -1 3 326.348 2.971 20 10 EFCDHM CO[C@@H](C)CCOc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192633 1312059776 /nfs/dbraw/zinc/05/97/76/1312059776.db2.gz QYTSZLKHFQKNDI-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c([O-])c1 ZINC001231454442 1312501110 /nfs/dbraw/zinc/50/11/10/1312501110.db2.gz XDNWIQHVKFAZBE-MRXNPFEDSA-N -1 3 328.368 2.529 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c([O-])c1 ZINC001231454442 1312501113 /nfs/dbraw/zinc/50/11/13/1312501113.db2.gz XDNWIQHVKFAZBE-MRXNPFEDSA-N -1 3 328.368 2.529 20 10 EFCDHM CC(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231454651 1312501526 /nfs/dbraw/zinc/50/15/26/1312501526.db2.gz HJQFPPVGIPGAHT-CQSZACIVSA-N -1 3 345.399 2.976 20 10 EFCDHM CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231454651 1312501530 /nfs/dbraw/zinc/50/15/30/1312501530.db2.gz HJQFPPVGIPGAHT-CQSZACIVSA-N -1 3 345.399 2.976 20 10 EFCDHM Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231452908 1312501686 /nfs/dbraw/zinc/50/16/86/1312501686.db2.gz HOHLLJGZWLSNHE-MRXNPFEDSA-N -1 3 342.395 2.837 20 10 EFCDHM Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231452908 1312501689 /nfs/dbraw/zinc/50/16/89/1312501689.db2.gz HOHLLJGZWLSNHE-MRXNPFEDSA-N -1 3 342.395 2.837 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c([O-])c1 ZINC001231455505 1312501775 /nfs/dbraw/zinc/50/17/75/1312501775.db2.gz QHZJCYLJMZBHCA-GOSISDBHSA-N -1 3 338.407 2.505 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CCN3CCc4ccccc4[C@H]3C2)c([O-])c1 ZINC001231455505 1312501777 /nfs/dbraw/zinc/50/17/77/1312501777.db2.gz QHZJCYLJMZBHCA-GOSISDBHSA-N -1 3 338.407 2.505 20 10 EFCDHM CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561682 1312525505 /nfs/dbraw/zinc/52/55/05/1312525505.db2.gz YIAGXKFUHXAEMS-SFHVURJKSA-N -1 3 335.400 2.646 20 10 EFCDHM CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561682 1312525508 /nfs/dbraw/zinc/52/55/08/1312525508.db2.gz YIAGXKFUHXAEMS-SFHVURJKSA-N -1 3 335.400 2.646 20 10 EFCDHM CN1CCN(Cc2cc(C(=O)[O-])ccc2O)[C@H](c2ccccc2)C1 ZINC001231561513 1312525860 /nfs/dbraw/zinc/52/58/60/1312525860.db2.gz VNEVKGVAADUYPI-KRWDZBQOSA-N -1 3 326.396 2.579 20 10 EFCDHM COc1ccc(CN(C)Cc2cc(C(=O)[O-])ccc2O)c(OC)c1 ZINC001231565292 1312526803 /nfs/dbraw/zinc/52/68/03/1312526803.db2.gz ROOSASTVWBTXPB-UHFFFAOYSA-N -1 3 331.368 2.740 20 10 EFCDHM COC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2cn(C)nc21 ZINC001231866042 1312577301 /nfs/dbraw/zinc/57/73/01/1312577301.db2.gz BVRBCTOTDBUHSQ-AWEZNQCLSA-N -1 3 335.835 2.833 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(C(=O)C(F)(F)F)CC2)cc1Cl ZINC001231867438 1312578438 /nfs/dbraw/zinc/57/84/38/1312578438.db2.gz KMMYERMTHYHTBD-UHFFFAOYSA-N -1 3 336.741 2.561 20 10 EFCDHM COC[C@H]1Cn2ccnc2CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231867618 1312578526 /nfs/dbraw/zinc/57/85/26/1312578526.db2.gz OUBMHHBWJJFICQ-CYBMUJFWSA-N -1 3 335.835 2.829 20 10 EFCDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1ccc2ccccc2c1[O-] ZINC001231883139 1312580401 /nfs/dbraw/zinc/58/04/01/1312580401.db2.gz ZNADLXIDMRRQMK-QGZVFWFLSA-N -1 3 327.380 2.642 20 10 EFCDHM O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1cccc(Cl)c1[O-])C2 ZINC001231911618 1312586877 /nfs/dbraw/zinc/58/68/77/1312586877.db2.gz IYQKNHUNGQZHQL-JSGCOSHPSA-N -1 3 346.814 2.985 20 10 EFCDHM COc1cc(C)nc(O[C@H]2CCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231914168 1312587287 /nfs/dbraw/zinc/58/72/87/1312587287.db2.gz ZZICUDXSQWESAB-ZDUSSCGKSA-N -1 3 349.818 2.806 20 10 EFCDHM COC(=O)[C@H](Cc1ccccc1)N(C)Cc1cc(Cl)c([O-])cc1O ZINC001232262750 1312660776 /nfs/dbraw/zinc/66/07/76/1312660776.db2.gz OKVLAVQPTQIMBZ-HNNXBMFYSA-N -1 3 349.814 2.967 20 10 EFCDHM Cc1cnc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)s1 ZINC001232264334 1312661278 /nfs/dbraw/zinc/66/12/78/1312661278.db2.gz ABYTXGAYALPHOD-UHFFFAOYSA-N -1 3 339.848 2.838 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC001232266606 1312661905 /nfs/dbraw/zinc/66/19/05/1312661905.db2.gz PUOLCHSXOHYRDJ-LBPRGKRZSA-N -1 3 325.714 2.553 20 10 EFCDHM COc1cc([O-])c(CN2CC(NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001232265837 1312662046 /nfs/dbraw/zinc/66/20/46/1312662046.db2.gz GBXIMPAZTOADCT-UHFFFAOYSA-N -1 3 342.823 2.763 20 10 EFCDHM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232270355 1312663914 /nfs/dbraw/zinc/66/39/14/1312663914.db2.gz AHYGKYFWXWCBFP-VPJDZLOFSA-N -1 3 325.792 2.580 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(-n3cccn3)cc2)no1 ZINC001215325509 1314815907 /nfs/dbraw/zinc/81/59/07/1314815907.db2.gz XCQHLLLDQUFIMV-UHFFFAOYSA-N -1 3 336.307 2.706 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3ncccc3C(F)(F)F)no2)cc1O ZINC001215328719 1314816915 /nfs/dbraw/zinc/81/69/15/1314816915.db2.gz OTDUXFRRGRLYEJ-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM CN(c1c([O-])cccc1Cl)S(=O)(=O)CCc1ccc(N)cc1 ZINC001215987114 1314897691 /nfs/dbraw/zinc/89/76/91/1314897691.db2.gz GJRJXJITFVKJKX-UHFFFAOYSA-N -1 3 340.832 2.637 20 10 EFCDHM COc1ccc(CN2CCCC2)c([O-])c1I ZINC001248476330 1314937877 /nfs/dbraw/zinc/93/78/77/1314937877.db2.gz DGPHRMXOWUFTRB-UHFFFAOYSA-N -1 3 333.169 2.601 20 10 EFCDHM CC(C)CS(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001259888084 1316293254 /nfs/dbraw/zinc/29/32/54/1316293254.db2.gz SMWRMJVQWAPDDZ-UHFFFAOYSA-N -1 3 328.821 2.669 20 10 EFCDHM CC[C@@H](C)S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001260746872 1316364611 /nfs/dbraw/zinc/36/46/11/1316364611.db2.gz WPJLAIHEPKLMJX-SECBINFHSA-N -1 3 328.821 2.812 20 10 EFCDHM CC(C)(C)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC001319705627 1328956897 /nfs/dbraw/zinc/95/68/97/1328956897.db2.gz MNDLUCOXYQUYPK-UHFFFAOYSA-N -1 3 327.812 2.870 20 10 EFCDHM CCOc1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC001320507679 1329149205 /nfs/dbraw/zinc/14/92/05/1329149205.db2.gz SJSFYWIYRBJQDE-UHFFFAOYSA-N -1 3 326.396 2.753 20 10 EFCDHM CN(C)c1cc(F)c(CNC[C@@H](CC(=O)[O-])C(F)(F)F)cc1F ZINC001329311221 1330693121 /nfs/dbraw/zinc/69/31/21/1330693121.db2.gz RMVNUKRTSIDGRU-SECBINFHSA-N -1 3 340.292 2.774 20 10 EFCDHM COCCN(Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)C(F)(F)F ZINC000848921794 1334986809 /nfs/dbraw/zinc/98/68/09/1334986809.db2.gz GIWIVODNNLNTIR-LBPRGKRZSA-N -1 3 345.720 2.556 20 10 EFCDHM CCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(N(C)C)cc1 ZINC000825435056 1429560845 /nfs/dbraw/zinc/56/08/45/1429560845.db2.gz KMDVKCKXADDFGY-UHFFFAOYSA-N -1 3 326.404 2.548 20 10 EFCDHM CCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccc(N(C)C)cc1 ZINC000825435056 1429560851 /nfs/dbraw/zinc/56/08/51/1429560851.db2.gz KMDVKCKXADDFGY-UHFFFAOYSA-N -1 3 326.404 2.548 20 10 EFCDHM C[C@H](NCc1cccc(Br)c1[O-])c1nnc2n1CCC2 ZINC000048797088 715507917 /nfs/dbraw/zinc/50/79/17/715507917.db2.gz HSQXWRHFACYXLV-VIFPVBQESA-N -1 3 337.221 2.543 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c([O-])c1O ZINC000179441142 717462937 /nfs/dbraw/zinc/46/29/37/717462937.db2.gz JCXJWHYQUPNUQN-UHFFFAOYSA-N -1 3 328.368 2.797 20 10 EFCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(C)c1F ZINC000181155971 728750391 /nfs/dbraw/zinc/75/03/91/728750391.db2.gz IMUBZTJJKYEJSK-UHFFFAOYSA-N -1 3 325.361 2.958 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000894073754 720268568 /nfs/dbraw/zinc/26/85/68/720268568.db2.gz WBWQRDAQSGWADJ-CYBMUJFWSA-N -1 3 325.277 2.806 20 10 EFCDHM O=C(NCc1cc(Br)ccc1F)c1cccc(O)c1[O-] ZINC000126173460 720594393 /nfs/dbraw/zinc/59/43/93/720594393.db2.gz ACHVWVMAIFVKIO-UHFFFAOYSA-N -1 3 340.148 2.929 20 10 EFCDHM C[C@H](O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894423841 722732792 /nfs/dbraw/zinc/73/27/92/722732792.db2.gz VNGRRGRBCSBUDM-VHSXEESVSA-N -1 3 332.213 2.887 20 10 EFCDHM Cc1cc(CNCc2cc(F)cc(F)c2[O-])nc(N2CCCC2)n1 ZINC000894846738 722891725 /nfs/dbraw/zinc/89/17/25/722891725.db2.gz JRWHFAXRYKAUOC-UHFFFAOYSA-N -1 3 334.370 2.659 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897259650 724140140 /nfs/dbraw/zinc/14/01/40/724140140.db2.gz TZMMESVICLKQSY-LBPRGKRZSA-N -1 3 329.799 2.691 20 10 EFCDHM O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000728711260 724142979 /nfs/dbraw/zinc/14/29/79/724142979.db2.gz LCEGZXUQPHVLBG-UHFFFAOYSA-N -1 3 331.393 2.522 20 10 EFCDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C ZINC000914876501 726803780 /nfs/dbraw/zinc/80/37/80/726803780.db2.gz DWQCFZUEOFFGLN-UHFFFAOYSA-N -1 3 337.397 2.527 20 10 EFCDHM CCCC[C@H](CC)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055192501 727911984 /nfs/dbraw/zinc/91/19/84/727911984.db2.gz RINXVHNINFLXNS-LBPRGKRZSA-N -1 3 342.461 2.710 20 10 EFCDHM CCN(Cc1cc(F)ccc1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000179881722 729645648 /nfs/dbraw/zinc/64/56/48/729645648.db2.gz GWKMSTYGDREOSB-UHFFFAOYSA-N -1 3 327.359 2.790 20 10 EFCDHM Cc1cc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)c(C)o1 ZINC000179949192 729656583 /nfs/dbraw/zinc/65/65/83/729656583.db2.gz ZTHUKCSZGZRNMG-UHFFFAOYSA-N -1 3 332.375 2.699 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC001594271736 957680884 /nfs/dbraw/zinc/68/08/84/957680884.db2.gz NMTXJVMRCBRTPV-NEPJUHHUSA-N -1 3 328.206 2.806 20 10 EFCDHM Cc1cc(Br)cc(C[N@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848639748 969270845 /nfs/dbraw/zinc/27/08/45/969270845.db2.gz KSYZXHSPSDLEGW-UHFFFAOYSA-N -1 3 328.206 2.902 20 10 EFCDHM Cc1cc(Br)cc(C[N@@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848639748 969270850 /nfs/dbraw/zinc/27/08/50/969270850.db2.gz KSYZXHSPSDLEGW-UHFFFAOYSA-N -1 3 328.206 2.902 20 10 EFCDHM COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000840997822 979300570 /nfs/dbraw/zinc/30/05/70/979300570.db2.gz PYKTTWJHGRNKRQ-LLVKDONJSA-N -1 3 344.205 2.602 20 10 EFCDHM COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000840997822 979300576 /nfs/dbraw/zinc/30/05/76/979300576.db2.gz PYKTTWJHGRNKRQ-LLVKDONJSA-N -1 3 344.205 2.602 20 10 EFCDHM COc1ccc([C@H](NCc2ccc(N(C)C)c(F)c2)C(=O)[O-])cc1 ZINC000901645668 980422250 /nfs/dbraw/zinc/42/22/50/980422250.db2.gz ANZHUAKLYCIBHM-KRWDZBQOSA-N -1 3 332.375 2.816 20 10 EFCDHM CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001589191028 985595158 /nfs/dbraw/zinc/59/51/58/985595158.db2.gz TXMLTDLINBCUSW-LBPRGKRZSA-N -1 3 342.395 2.942 20 10 EFCDHM CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c([O-])c1 ZINC001597101450 986716146 /nfs/dbraw/zinc/71/61/46/986716146.db2.gz UTVCHDLXHQPBGP-GOSISDBHSA-N -1 3 343.379 2.641 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219701 994303599 /nfs/dbraw/zinc/30/35/99/994303599.db2.gz PMMJKJHUUFZNHQ-SWLSCSKDSA-N -1 3 346.427 2.532 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234325 994399348 /nfs/dbraw/zinc/39/93/48/994399348.db2.gz YIZREPAGXFASRD-PPHDSNJXSA-N -1 3 337.441 2.796 20 10 EFCDHM C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234323 994399457 /nfs/dbraw/zinc/39/94/57/994399457.db2.gz YIZREPAGXFASRD-BNLOLNQZSA-N -1 3 337.441 2.796 20 10 EFCDHM C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246699 994456602 /nfs/dbraw/zinc/45/66/02/994456602.db2.gz NYDMXHXIVYXFKG-ZFWWWQNUSA-N -1 3 329.396 2.592 20 10 EFCDHM C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252897 994509448 /nfs/dbraw/zinc/50/94/48/994509448.db2.gz WIVADCGPHFEZEG-GMOODISLSA-N -1 3 333.306 2.851 20 10 EFCDHM C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256458 994520966 /nfs/dbraw/zinc/52/09/66/994520966.db2.gz HZKRYXNPQDXDAD-QWHCGFSZSA-N -1 3 327.380 2.992 20 10 EFCDHM C[C@@H]([NH2+]CCOC1CCSCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593270926 994598766 /nfs/dbraw/zinc/59/87/66/994598766.db2.gz BPSAXKCRNBPFEG-LLVKDONJSA-N -1 3 325.430 2.653 20 10 EFCDHM C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593285968 994640317 /nfs/dbraw/zinc/64/03/17/994640317.db2.gz MMEKCGNRIOHFIE-RJIBLYRGSA-N -1 3 327.327 2.555 20 10 EFCDHM C[C@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286662 994647424 /nfs/dbraw/zinc/64/74/24/994647424.db2.gz WECIBYWFGIVPEC-RISOHXOYSA-N -1 3 341.407 2.834 20 10 EFCDHM COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599680185 994967259 /nfs/dbraw/zinc/96/72/59/994967259.db2.gz FIPOYDBVLYWBJI-NSHDSACASA-N -1 3 348.424 2.935 20 10 EFCDHM COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599680185 994967268 /nfs/dbraw/zinc/96/72/68/994967268.db2.gz FIPOYDBVLYWBJI-NSHDSACASA-N -1 3 348.424 2.935 20 10 EFCDHM CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001589321806 1093076006 /nfs/dbraw/zinc/07/60/06/1093076006.db2.gz QUWAAVMHARSYCF-UHFFFAOYSA-N -1 3 345.353 2.875 20 10 EFCDHM CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001589321806 1093076014 /nfs/dbraw/zinc/07/60/14/1093076014.db2.gz QUWAAVMHARSYCF-UHFFFAOYSA-N -1 3 345.353 2.875 20 10 EFCDHM C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589902586 1093174125 /nfs/dbraw/zinc/17/41/25/1093174125.db2.gz PRFXCQKZCXSNEJ-QWRGUYRKSA-N -1 3 329.429 2.916 20 10 EFCDHM C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589902303 1093174493 /nfs/dbraw/zinc/17/44/93/1093174493.db2.gz BNGMJBPXKRSRSR-QWRGUYRKSA-N -1 3 329.429 2.916 20 10 EFCDHM C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951725 1093192122 /nfs/dbraw/zinc/19/21/22/1093192122.db2.gz FLZMWJYRQNBDGA-KNXALSJPSA-N -1 3 343.431 2.571 20 10 EFCDHM C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956627 1093193558 /nfs/dbraw/zinc/19/35/58/1093193558.db2.gz PBZLYMYOOUOTAG-SLEUVZQESA-N -1 3 345.447 2.817 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956634 1093194993 /nfs/dbraw/zinc/19/49/93/1093194993.db2.gz PBZLYMYOOUOTAG-ZOWXZIJZSA-N -1 3 345.447 2.817 20 10 EFCDHM C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961323 1093196715 /nfs/dbraw/zinc/19/67/15/1093196715.db2.gz LOFWBIVJJRBNNL-LNHVQRHZSA-N -1 3 339.802 2.928 20 10 EFCDHM C[C@@H]([NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(F)cc1[O-] ZINC001589959634 1093197057 /nfs/dbraw/zinc/19/70/57/1093197057.db2.gz ZWVDDPYXQJBTEB-BMIGLBTASA-N -1 3 339.374 2.529 20 10 EFCDHM CC[C@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590461433 1093431853 /nfs/dbraw/zinc/43/18/53/1093431853.db2.gz DKVPHQWMPRIULP-LRDDRELGSA-N -1 3 338.415 2.639 20 10 EFCDHM CC[C@@H]([NH2+]CC1(CCOC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464551 1093433747 /nfs/dbraw/zinc/43/37/47/1093433747.db2.gz PWCYMIPJAWQYFM-OAHLLOKOSA-N -1 3 345.447 2.820 20 10 EFCDHM CC[C@@H]([NH2+]CCCCOC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467280 1093438834 /nfs/dbraw/zinc/43/88/34/1093438834.db2.gz PDFXMEYPNHGZMJ-OAHLLOKOSA-N -1 3 333.436 2.818 20 10 EFCDHM CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469042 1093441785 /nfs/dbraw/zinc/44/17/85/1093441785.db2.gz XIKUSHYHTAXZLP-WFASDCNBSA-N -1 3 331.420 2.572 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590632821 1093525084 /nfs/dbraw/zinc/52/50/84/1093525084.db2.gz VQZZHQOOAWLAOT-UHFFFAOYSA-N -1 3 343.412 2.686 20 10 EFCDHM CCOCC(C)(C)C[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590799543 1093575748 /nfs/dbraw/zinc/57/57/48/1093575748.db2.gz AURWEPXYTPVMCY-CQSZACIVSA-N -1 3 333.436 2.676 20 10 EFCDHM COC[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccc1 ZINC001591382922 1093712594 /nfs/dbraw/zinc/71/25/94/1093712594.db2.gz ZCKSDZVBSJQUQM-MLGOLLRUSA-N -1 3 339.399 2.611 20 10 EFCDHM COC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccc1 ZINC001591382920 1093713320 /nfs/dbraw/zinc/71/33/20/1093713320.db2.gz ZCKSDZVBSJQUQM-BLLLJJGKSA-N -1 3 339.399 2.611 20 10 EFCDHM COCc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cc1 ZINC001591456158 1093725356 /nfs/dbraw/zinc/72/53/56/1093725356.db2.gz GORWPZMNRYRICX-LBPRGKRZSA-N -1 3 339.399 2.570 20 10 EFCDHM COc1c(C)cccc1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591479351 1093732769 /nfs/dbraw/zinc/73/27/69/1093732769.db2.gz MZVPCTWANCJUIL-GFCCVEGCSA-N -1 3 339.399 2.740 20 10 EFCDHM COc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(O)c1 ZINC001591600980 1093788308 /nfs/dbraw/zinc/78/83/08/1093788308.db2.gz GNTPMPJOOOOJOV-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM COc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(O)c1 ZINC001591600980 1093788314 /nfs/dbraw/zinc/78/83/14/1093788314.db2.gz GNTPMPJOOOOJOV-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM COc1ccc(N(C)CCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591606415 1093792194 /nfs/dbraw/zinc/79/21/94/1093792194.db2.gz CYPIKCMDBGANSZ-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM COc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1-c1nnn[n-]1 ZINC001591618961 1093800996 /nfs/dbraw/zinc/80/09/96/1093800996.db2.gz YRVLYEHIZAEMNB-UHFFFAOYSA-N -1 3 342.378 2.693 20 10 EFCDHM COc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1-c1nn[n-]n1 ZINC001591618961 1093801003 /nfs/dbraw/zinc/80/10/03/1093801003.db2.gz YRVLYEHIZAEMNB-UHFFFAOYSA-N -1 3 342.378 2.693 20 10 EFCDHM Cc1cc(N(C)C)ccc1CNc1cc(F)ccc1-c1nnn[n-]1 ZINC001591995725 1093951382 /nfs/dbraw/zinc/95/13/82/1093951382.db2.gz VBQUOVAQRZKPTI-UHFFFAOYSA-N -1 3 326.379 2.992 20 10 EFCDHM Cc1cc(N(C)C)ccc1CNc1cc(F)ccc1-c1nn[n-]n1 ZINC001591995725 1093951385 /nfs/dbraw/zinc/95/13/85/1093951385.db2.gz VBQUOVAQRZKPTI-UHFFFAOYSA-N -1 3 326.379 2.992 20 10 EFCDHM Cc1csc(NC(=O)NCc2cc(C)ccc2O)c1-c1nnn[n-]1 ZINC001592186062 1094020768 /nfs/dbraw/zinc/02/07/68/1094020768.db2.gz JWEXLYBXKIKHAN-UHFFFAOYSA-N -1 3 344.400 2.572 20 10 EFCDHM Cc1csc(NC(=O)NCc2cc(C)ccc2O)c1-c1nn[n-]n1 ZINC001592186062 1094020773 /nfs/dbraw/zinc/02/07/73/1094020773.db2.gz JWEXLYBXKIKHAN-UHFFFAOYSA-N -1 3 344.400 2.572 20 10 EFCDHM Cc1csc([C@H](C)C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592314504 1094074405 /nfs/dbraw/zinc/07/44/05/1094074405.db2.gz MGEDCFQMGOKXSO-MWLCHTKSSA-N -1 3 344.444 2.792 20 10 EFCDHM Cn1c(-c2ccccc2)cnc1SCc1cc(-c2nnn[n-]2)ccn1 ZINC001592544806 1094133325 /nfs/dbraw/zinc/13/33/25/1094133325.db2.gz MFRZJVXMVUUTSH-UHFFFAOYSA-N -1 3 349.423 2.955 20 10 EFCDHM Cn1c(-c2ccccc2)cnc1SCc1cc(-c2nn[n-]n2)ccn1 ZINC001592544806 1094133328 /nfs/dbraw/zinc/13/33/28/1094133328.db2.gz MFRZJVXMVUUTSH-UHFFFAOYSA-N -1 3 349.423 2.955 20 10 EFCDHM Cn1c(-c2ccccc2)cnc1SCc1cncc(-c2nnn[n-]2)c1 ZINC001592544938 1094133954 /nfs/dbraw/zinc/13/39/54/1094133954.db2.gz PTFOFVMKHVPLDP-UHFFFAOYSA-N -1 3 349.423 2.955 20 10 EFCDHM Cn1c(-c2ccccc2)cnc1SCc1cncc(-c2nn[n-]n2)c1 ZINC001592544938 1094133957 /nfs/dbraw/zinc/13/39/57/1094133957.db2.gz PTFOFVMKHVPLDP-UHFFFAOYSA-N -1 3 349.423 2.955 20 10 EFCDHM Oc1ccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1O ZINC001593540949 1094352390 /nfs/dbraw/zinc/35/23/90/1094352390.db2.gz ZDJNZKFDWXZOSD-UHFFFAOYSA-N -1 3 331.763 2.586 20 10 EFCDHM Oc1ccc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1O ZINC001593540949 1094352398 /nfs/dbraw/zinc/35/23/98/1094352398.db2.gz ZDJNZKFDWXZOSD-UHFFFAOYSA-N -1 3 331.763 2.586 20 10 EFCDHM Cc1cccc([O-])c1C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001600543027 1095149705 /nfs/dbraw/zinc/14/97/05/1095149705.db2.gz DZLKNVXBEHBCOO-DLBZAZTESA-N -1 3 327.380 2.706 20 10 EFCDHM Cc1cccc([O-])c1C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001600543027 1095149710 /nfs/dbraw/zinc/14/97/10/1095149710.db2.gz DZLKNVXBEHBCOO-DLBZAZTESA-N -1 3 327.380 2.706 20 10 EFCDHM Cc1cccn2cc(CC[NH2+][C@H](C)c3cc(C(=O)[O-])ccc3[O-])nc12 ZINC001600589575 1095192480 /nfs/dbraw/zinc/19/24/80/1095192480.db2.gz ZCIPSQBWTQBWLL-CYBMUJFWSA-N -1 3 339.395 2.940 20 10 EFCDHM O=C([O-])[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC001602189167 1096110838 /nfs/dbraw/zinc/11/08/38/1096110838.db2.gz RFEGKCXZZKEXMB-JKSUJKDBSA-N -1 3 331.343 2.537 20 10 EFCDHM O=C([O-])[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC001602189167 1096110844 /nfs/dbraw/zinc/11/08/44/1096110844.db2.gz RFEGKCXZZKEXMB-JKSUJKDBSA-N -1 3 331.343 2.537 20 10 EFCDHM O=C([O-])[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001602202506 1096114661 /nfs/dbraw/zinc/11/46/61/1096114661.db2.gz VUAMAKLRQRYBOL-CRAIPNDOSA-N -1 3 327.380 2.639 20 10 EFCDHM O=C([O-])c1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c[nH]1 ZINC001602256753 1096142883 /nfs/dbraw/zinc/14/28/83/1096142883.db2.gz KKPBOWKJXQUTDK-HNNXBMFYSA-N -1 3 330.384 2.600 20 10 EFCDHM O=C([O-])c1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c[nH]1 ZINC001602256753 1096142887 /nfs/dbraw/zinc/14/28/87/1096142887.db2.gz KKPBOWKJXQUTDK-HNNXBMFYSA-N -1 3 330.384 2.600 20 10 EFCDHM C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])CC(F)(F)F ZINC001603552028 1096549975 /nfs/dbraw/zinc/54/99/75/1096549975.db2.gz NTTVNWFQQLKISS-IUCAKERBSA-N -1 3 329.326 2.811 20 10 EFCDHM C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661941 1096583338 /nfs/dbraw/zinc/58/33/38/1096583338.db2.gz FLGQCAMHOBJEES-QWHCGFSZSA-N -1 3 343.431 2.715 20 10 EFCDHM C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661942 1096583382 /nfs/dbraw/zinc/58/33/82/1096583382.db2.gz FLGQCAMHOBJEES-STQMWFEESA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055487 1096711981 /nfs/dbraw/zinc/71/19/81/1096711981.db2.gz MVCAJFJCGCWKCO-CJNGLKHVSA-N -1 3 347.463 2.658 20 10 EFCDHM CC[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054719 1096712672 /nfs/dbraw/zinc/71/26/72/1096712672.db2.gz JEEZTPPQRZRZNT-WMLDXEAASA-N -1 3 331.420 2.572 20 10 EFCDHM C[C@@](CC(=O)[O-])(NCc1ccc2c(c1)CCCO2)c1ccncc1 ZINC001604091355 1096730694 /nfs/dbraw/zinc/73/06/94/1096730694.db2.gz QFWJKJYZNZLBQL-IBGZPJMESA-N -1 3 326.396 2.886 20 10 EFCDHM CCN(C(=O)C=Cc1ccc(C)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604260181 1096789083 /nfs/dbraw/zinc/78/90/83/1096789083.db2.gz YTPWWAHNVHKBJG-WDZFZDKYSA-N -1 3 334.383 2.636 20 10 EFCDHM CCN(C(=O)C=Cc1ccc(C)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604260181 1096789090 /nfs/dbraw/zinc/78/90/90/1096789090.db2.gz YTPWWAHNVHKBJG-WDZFZDKYSA-N -1 3 334.383 2.636 20 10 EFCDHM C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338415 1096817825 /nfs/dbraw/zinc/81/78/25/1096817825.db2.gz OBZPJRZKHKWWNX-CYBMUJFWSA-N -1 3 334.416 2.534 20 10 EFCDHM C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338419 1096818003 /nfs/dbraw/zinc/81/80/03/1096818003.db2.gz OBZPJRZKHKWWNX-ZDUSSCGKSA-N -1 3 334.416 2.534 20 10 EFCDHM C[C@H]([NH2+]CCCN1CCCCCC1=O)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342776 1096821975 /nfs/dbraw/zinc/82/19/75/1096821975.db2.gz NAFOMJIBKBMWSA-ZDUSSCGKSA-N -1 3 334.416 2.534 20 10 EFCDHM CCc1noc(CC)c1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604586285 1096908631 /nfs/dbraw/zinc/90/86/31/1096908631.db2.gz GEZNUUJTFWBQIP-JTQLQIEISA-N -1 3 342.403 2.536 20 10 EFCDHM COc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])ccc1-c1nnn[n-]1 ZINC001605218768 1097055696 /nfs/dbraw/zinc/05/56/96/1097055696.db2.gz OUETXXXLUZJSMJ-JTQLQIEISA-N -1 3 343.362 2.571 20 10 EFCDHM COc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c(O)c1 ZINC001605286224 1097082361 /nfs/dbraw/zinc/08/23/61/1097082361.db2.gz YVLONNDFAQKSJA-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM COc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c(O)c1 ZINC001605286224 1097082366 /nfs/dbraw/zinc/08/23/66/1097082366.db2.gz YVLONNDFAQKSJA-UHFFFAOYSA-N -1 3 348.366 2.741 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC001605291303 1097083228 /nfs/dbraw/zinc/08/32/28/1097083228.db2.gz MKRZJPAENKFYER-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC001605291303 1097083233 /nfs/dbraw/zinc/08/32/33/1097083233.db2.gz MKRZJPAENKFYER-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM C[C@@H](Nc1nc2ncccc2cc1-c1nnn[n-]1)c1ccccc1O ZINC001605405448 1097119914 /nfs/dbraw/zinc/11/99/14/1097119914.db2.gz WHTKVFGQIAJSAF-SNVBAGLBSA-N -1 3 333.355 2.689 20 10 EFCDHM C[C@@H](Nc1nc2ncccc2cc1-c1nn[n-]n1)c1ccccc1O ZINC001605405448 1097119917 /nfs/dbraw/zinc/11/99/17/1097119917.db2.gz WHTKVFGQIAJSAF-SNVBAGLBSA-N -1 3 333.355 2.689 20 10 EFCDHM Cc1cc(F)c(-c2nnn[n-]2)c(N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001605673065 1097190960 /nfs/dbraw/zinc/19/09/60/1097190960.db2.gz XZVTYWBTNDDDEL-SNVBAGLBSA-N -1 3 343.362 2.769 20 10 EFCDHM Cc1cc(F)c(-c2nn[n-]n2)c(N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001605673065 1097190964 /nfs/dbraw/zinc/19/09/64/1097190964.db2.gz XZVTYWBTNDDDEL-SNVBAGLBSA-N -1 3 343.362 2.769 20 10 EFCDHM Cc1ccc(O)c(CNc2nc(C)c(-c3nnn[n-]3)cc2Cl)c1 ZINC001605875975 1097262407 /nfs/dbraw/zinc/26/24/07/1097262407.db2.gz XNSMGORNYJGXLQ-UHFFFAOYSA-N -1 3 330.779 2.850 20 10 EFCDHM Cc1ccc(O)c(CNc2nc(C)c(-c3nn[n-]n3)cc2Cl)c1 ZINC001605875975 1097262408 /nfs/dbraw/zinc/26/24/08/1097262408.db2.gz XNSMGORNYJGXLQ-UHFFFAOYSA-N -1 3 330.779 2.850 20 10 EFCDHM CN(Cc1ccc(C(=O)[O-])n1C)Cc1ccc(N2CCCC2)cc1 ZINC001606160504 1097332330 /nfs/dbraw/zinc/33/23/30/1097332330.db2.gz MDPUKYQHNYHMIZ-UHFFFAOYSA-N -1 3 327.428 2.956 20 10 EFCDHM c1cnc(NCc2ccc(N3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC001607134157 1097538965 /nfs/dbraw/zinc/53/89/65/1097538965.db2.gz AGMHTQXKSWMNPO-UHFFFAOYSA-N -1 3 335.415 2.864 20 10 EFCDHM c1cnc(NCc2ccc(N3CCCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC001607134157 1097538971 /nfs/dbraw/zinc/53/89/71/1097538971.db2.gz AGMHTQXKSWMNPO-UHFFFAOYSA-N -1 3 335.415 2.864 20 10 EFCDHM COc1ccc(N2CC[C@@H](NCc3cc(C)c(C(=O)[O-])o3)C2)cc1 ZINC001607269516 1097580994 /nfs/dbraw/zinc/58/09/94/1097580994.db2.gz OUJHHAFVMVWNBW-CYBMUJFWSA-N -1 3 330.384 2.663 20 10 EFCDHM Cc1[nH]c(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1C(=O)[O-] ZINC001607494128 1097641789 /nfs/dbraw/zinc/64/17/89/1097641789.db2.gz LHKSKCNUYNSOLX-MRXNPFEDSA-N -1 3 344.411 2.908 20 10 EFCDHM Cc1cc(O)c(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1C(C)C ZINC001607700352 1097703070 /nfs/dbraw/zinc/70/30/70/1097703070.db2.gz XFTLETYWECWNLK-GOSISDBHSA-N -1 3 332.400 2.629 20 10 EFCDHM CN(C)c1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC001609270721 1098234501 /nfs/dbraw/zinc/23/45/01/1098234501.db2.gz SUBWWZFNFPHILF-UHFFFAOYSA-N -1 3 349.442 2.819 20 10 EFCDHM CN(C)c1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC001609270721 1098234505 /nfs/dbraw/zinc/23/45/05/1098234505.db2.gz SUBWWZFNFPHILF-UHFFFAOYSA-N -1 3 349.442 2.819 20 10 EFCDHM CN(Cc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC001609279081 1098236395 /nfs/dbraw/zinc/23/63/95/1098236395.db2.gz NTZBKNPMHPXZSU-UHFFFAOYSA-N -1 3 343.774 2.885 20 10 EFCDHM CN(Cc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC001609279081 1098236399 /nfs/dbraw/zinc/23/63/99/1098236399.db2.gz NTZBKNPMHPXZSU-UHFFFAOYSA-N -1 3 343.774 2.885 20 10 EFCDHM Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(O)c1O ZINC001609419895 1098304754 /nfs/dbraw/zinc/30/47/54/1098304754.db2.gz IGTNOVNXCUCULL-SNVBAGLBSA-N -1 3 340.339 2.504 20 10 EFCDHM Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(O)c1O ZINC001609419895 1098304761 /nfs/dbraw/zinc/30/47/61/1098304761.db2.gz IGTNOVNXCUCULL-SNVBAGLBSA-N -1 3 340.339 2.504 20 10 EFCDHM C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609775225 1098453428 /nfs/dbraw/zinc/45/34/28/1098453428.db2.gz BZFWGLKWGXRIPR-GFCCVEGCSA-N -1 3 328.368 2.770 20 10 EFCDHM COc1cc(Br)cc(C[NH2+]C2(CC(=O)[O-])CCC2)c1[O-] ZINC001610279777 1098599247 /nfs/dbraw/zinc/59/92/47/1098599247.db2.gz OCUNYQWQXVCRSM-UHFFFAOYSA-N -1 3 344.205 2.650 20 10 EFCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001610356928 1098637366 /nfs/dbraw/zinc/63/73/66/1098637366.db2.gz PYMCKBJWQJQAMQ-LJQANCHMSA-N -1 3 327.380 2.629 20 10 EFCDHM COc1cccc([O-])c1C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001610356928 1098637368 /nfs/dbraw/zinc/63/73/68/1098637368.db2.gz PYMCKBJWQJQAMQ-LJQANCHMSA-N -1 3 327.380 2.629 20 10 EFCDHM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(O)c1 ZINC000780993413 1101157896 /nfs/dbraw/zinc/15/78/96/1101157896.db2.gz HZRSIXYCSIAMJB-UHFFFAOYSA-N -1 3 331.324 2.541 20 10 EFCDHM COc1ccccc1CN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520190 1106105191 /nfs/dbraw/zinc/10/51/91/1106105191.db2.gz DAKPEQMVNNNPKC-UHFFFAOYSA-N -1 3 348.393 2.997 20 10 EFCDHM O=C1OC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)c2cccnc21 ZINC001142527218 1106183026 /nfs/dbraw/zinc/18/30/26/1106183026.db2.gz OSHAAOTUTQBNPX-UHFFFAOYSA-N -1 3 346.333 2.727 20 10 EFCDHM C[C@H]1CC(=O)CCN1Cc1ccc(I)cc1[O-] ZINC001232974090 1107489397 /nfs/dbraw/zinc/48/93/97/1107489397.db2.gz HXZXTLQVSHYBKX-VIFPVBQESA-N -1 3 345.180 2.550 20 10 EFCDHM CC(C)OC(=O)C(C)(C)NCc1c([O-])cccc1Br ZINC000898507115 1108982599 /nfs/dbraw/zinc/98/25/99/1108982599.db2.gz PFUVBBWBQWIBMS-UHFFFAOYSA-N -1 3 330.222 2.975 20 10 EFCDHM O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1cc(Cl)ccc1[O-] ZINC001272639419 1111800216 /nfs/dbraw/zinc/80/02/16/1111800216.db2.gz ZFIWHOWVAGJKRK-INIZCTEOSA-N -1 3 344.789 2.878 20 10 EFCDHM O=[N+]([O-])c1cc[n+]([O-])cc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523339 1112064928 /nfs/dbraw/zinc/06/49/28/1112064928.db2.gz NNRKYZXZNVZGNZ-UHFFFAOYSA-N -1 3 346.730 2.748 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](F)CC2)c(Br)c1 ZINC001237058994 1118566287 /nfs/dbraw/zinc/56/62/87/1118566287.db2.gz DPCPGXIQDIRKLT-LBPRGKRZSA-N -1 3 346.196 2.666 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c([O-])c1O ZINC000177680972 239387988 /nfs/dbraw/zinc/38/79/88/239387988.db2.gz BSIUHQNKHLQNKP-OAHLLOKOSA-N -1 3 331.343 2.759 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)c([O-])c1O ZINC000177680919 239388074 /nfs/dbraw/zinc/38/80/74/239388074.db2.gz YZMFZMFNNYQOSY-OAHLLOKOSA-N -1 3 331.343 2.759 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)c([O-])c1O ZINC000182401877 239534479 /nfs/dbraw/zinc/53/44/79/239534479.db2.gz WZVXJXWGNTVGFM-ZDUSSCGKSA-N -1 3 344.415 2.598 20 10 EFCDHM CCCOc1ccc(CN2CCO[C@H](c3cnn(CC)c3)C2)c([O-])c1 ZINC000191709603 240001872 /nfs/dbraw/zinc/00/18/72/240001872.db2.gz DTUBHYPPTZIECR-IBGZPJMESA-N -1 3 345.443 2.971 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247226003 240278026 /nfs/dbraw/zinc/27/80/26/240278026.db2.gz WCGZVRIMPQMSQJ-HUUCEWRRSA-N -1 3 342.233 2.535 20 10 EFCDHM COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc(OC)c1 ZINC000278620047 240816000 /nfs/dbraw/zinc/81/60/00/240816000.db2.gz FTZDCWAFIGYSMR-UHFFFAOYSA-N -1 3 334.328 2.938 20 10 EFCDHM CCCOc1ccc(CN2CC([C@H](F)C(=O)OCC)C2)c([O-])c1 ZINC000294021282 241030923 /nfs/dbraw/zinc/03/09/23/241030923.db2.gz UXCQMVVYUBINET-INIZCTEOSA-N -1 3 325.380 2.514 20 10 EFCDHM CN(C)c1ccc(CN(C(=O)c2ccc(O)cc2[O-])C2CC2)cc1 ZINC000298396565 241151781 /nfs/dbraw/zinc/15/17/81/241151781.db2.gz SVITYHVMBRUGBL-UHFFFAOYSA-N -1 3 326.396 2.969 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC000297497788 241123499 /nfs/dbraw/zinc/12/34/99/241123499.db2.gz USRFXLKUPODERA-UHFFFAOYSA-N -1 3 340.395 2.690 20 10 EFCDHM O=C1[C@H](NCc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000363118823 242273635 /nfs/dbraw/zinc/27/36/35/242273635.db2.gz DKOAMKGVVRNVSL-MRXNPFEDSA-N -1 3 330.815 2.936 20 10 EFCDHM Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000367878494 242395063 /nfs/dbraw/zinc/39/50/63/242395063.db2.gz KYMZZOHTCCQFCD-CQSZACIVSA-N -1 3 341.411 2.826 20 10 EFCDHM C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000280925100 296119580 /nfs/dbraw/zinc/11/95/80/296119580.db2.gz HQGSXPUBWJIRFO-MRVPVSSYSA-N -1 3 338.256 2.927 20 10 EFCDHM CC(C)Cn1ncnc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000182872261 279264704 /nfs/dbraw/zinc/26/47/04/279264704.db2.gz KURCHNUQVLMEBP-QGZVFWFLSA-N -1 3 344.459 2.821 20 10 EFCDHM Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c([O-])c1O ZINC000182530410 301511499 /nfs/dbraw/zinc/51/14/99/301511499.db2.gz GINVQBLLOJRDKR-UHFFFAOYSA-N -1 3 328.368 2.511 20 10 EFCDHM CC[C@@H](NC(c1nccn1C)c1nccn1C)c1ccc(C)cc1[O-] ZINC000527944536 316501447 /nfs/dbraw/zinc/50/14/47/316501447.db2.gz FNMTXQWCGVHIQK-OAHLLOKOSA-N -1 3 339.443 2.998 20 10 EFCDHM Cc1ccc([C@@H](C)NC(c2nccn2C)c2nccn2C)c([O-])c1 ZINC000527945786 316501627 /nfs/dbraw/zinc/50/16/27/316501627.db2.gz LRWYGORHWUYFCZ-CYBMUJFWSA-N -1 3 325.416 2.608 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCSC[C@@H]1c1nccs1)OCO2 ZINC000184880891 473262244 /nfs/dbraw/zinc/26/22/44/473262244.db2.gz KBGAJTRSQVRJMD-LLVKDONJSA-N -1 3 336.438 2.868 20 10 EFCDHM C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185165816 473349694 /nfs/dbraw/zinc/34/96/94/473349694.db2.gz WIRZVELEXRRZPV-CQSZACIVSA-N -1 3 344.434 2.529 20 10 EFCDHM [O-]c1cccc(Cl)c1CNC[C@H](O)COc1ccc(F)c(F)c1 ZINC000113337830 473385259 /nfs/dbraw/zinc/38/52/59/473385259.db2.gz ZBEMNLSDBGYKLV-JTQLQIEISA-N -1 3 343.757 2.853 20 10 EFCDHM O=S(=O)([N-]c1c(F)cccc1F)c1cccc2nsnc21 ZINC000019107857 471977455 /nfs/dbraw/zinc/97/74/55/471977455.db2.gz WSWJSICDVDJJQO-UHFFFAOYSA-N -1 3 327.337 2.770 20 10 EFCDHM CCN(Cc1nnc(C)o1)Cc1cc(Br)ccc1[O-] ZINC000076118446 472277228 /nfs/dbraw/zinc/27/72/28/472277228.db2.gz YTJHZGZANOCTRO-UHFFFAOYSA-N -1 3 326.194 2.868 20 10 EFCDHM CCc1nsc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000130597611 472616706 /nfs/dbraw/zinc/61/67/06/472616706.db2.gz ZRQVAOBAXIGCNY-UHFFFAOYSA-N -1 3 338.864 2.782 20 10 EFCDHM Cc1nsc(N2CCCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000131811776 472695008 /nfs/dbraw/zinc/69/50/08/472695008.db2.gz IAMBCOXJLYJVGK-UHFFFAOYSA-N -1 3 338.864 2.918 20 10 EFCDHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000120476214 472695998 /nfs/dbraw/zinc/69/59/98/472695998.db2.gz DPQLQYNNFHDEJC-INIZCTEOSA-N -1 3 343.427 2.631 20 10 EFCDHM CC[C@@H](NCc1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000157006347 472775197 /nfs/dbraw/zinc/77/51/97/472775197.db2.gz GSSNSIXTQCVHKN-LLVKDONJSA-N -1 3 325.210 2.524 20 10 EFCDHM Cc1ccc(S(=O)(=O)CCCN(C)Cc2ccccc2[O-])cc1 ZINC000091619339 472783258 /nfs/dbraw/zinc/78/32/58/472783258.db2.gz PWDBFHHPVVFEDO-UHFFFAOYSA-N -1 3 333.453 2.996 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000079396417 472858807 /nfs/dbraw/zinc/85/88/07/472858807.db2.gz YKWYGWZIKLWLNV-UHFFFAOYSA-N -1 3 344.386 2.612 20 10 EFCDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccccc1[O-] ZINC000048375112 472869281 /nfs/dbraw/zinc/86/92/81/472869281.db2.gz BVPLBXLRGXOCNI-UHFFFAOYSA-N -1 3 328.437 2.875 20 10 EFCDHM Cc1ocnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134267583 472891638 /nfs/dbraw/zinc/89/16/38/472891638.db2.gz UHRZKKOPYYOLSB-CQSZACIVSA-N -1 3 349.818 2.736 20 10 EFCDHM CC(=O)N(C)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092538036 472932154 /nfs/dbraw/zinc/93/21/54/472932154.db2.gz IGEOYPBIMXVLFI-UHFFFAOYSA-N -1 3 341.249 2.597 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])Cc1nccc(N)n1 ZINC000135111966 473023802 /nfs/dbraw/zinc/02/38/02/473023802.db2.gz HEPZMOWMZLXNPI-UHFFFAOYSA-N -1 3 337.221 2.549 20 10 EFCDHM COCCc1noc(CN(C)Cc2c([O-])ccc3ccccc32)n1 ZINC000122581926 473033821 /nfs/dbraw/zinc/03/38/21/473033821.db2.gz SSNLGPATNDCMKK-UHFFFAOYSA-N -1 3 327.384 2.749 20 10 EFCDHM CCCOc1ccc(CN(CC)[C@@H](C)CS(=O)(=O)CC)c([O-])c1 ZINC000093414147 473104179 /nfs/dbraw/zinc/10/41/79/473104179.db2.gz CSOPLLPZGLYMCH-AWEZNQCLSA-N -1 3 343.489 2.826 20 10 EFCDHM CCOC(=O)c1ccsc1NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109769259 473120673 /nfs/dbraw/zinc/12/06/73/473120673.db2.gz HNXJKSDHWKFVHJ-UHFFFAOYSA-N -1 3 348.424 2.701 20 10 EFCDHM COc1cc(Br)cc(CN2CCOC[C@@H]2C2CC2)c1[O-] ZINC000093645281 473127844 /nfs/dbraw/zinc/12/78/44/473127844.db2.gz STGFVDDMFLXOSX-CYBMUJFWSA-N -1 3 342.233 2.774 20 10 EFCDHM Cc1nsc(N2CCCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000093716853 473136742 /nfs/dbraw/zinc/13/67/42/473136742.db2.gz PLXGTOZSEGGJJI-UHFFFAOYSA-N -1 3 338.864 2.918 20 10 EFCDHM CC(C)(C)CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093918119 473161718 /nfs/dbraw/zinc/16/17/18/473161718.db2.gz DCSAWJBMBLNVCB-UHFFFAOYSA-N -1 3 342.461 2.708 20 10 EFCDHM CCO[C@H](C)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000075416653 473184821 /nfs/dbraw/zinc/18/48/21/473184821.db2.gz WUTBWOHZDPESKP-SNVBAGLBSA-N -1 3 330.222 2.928 20 10 EFCDHM C[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191210907 473509029 /nfs/dbraw/zinc/50/90/29/473509029.db2.gz CQOBGOFVDOVGND-LBPRGKRZSA-N -1 3 334.366 2.980 20 10 EFCDHM COc1ccc(N[C@H](C)c2cc(F)ccc2[O-])cc1-n1nnnc1C ZINC000186437752 473673840 /nfs/dbraw/zinc/67/38/40/473673840.db2.gz CXVCWPBLCYOUFW-SNVBAGLBSA-N -1 3 343.362 2.997 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)c([O-])c1O ZINC000179541798 473693680 /nfs/dbraw/zinc/69/36/80/473693680.db2.gz SBVAPVFYTVSGCY-UHFFFAOYSA-N -1 3 342.395 2.620 20 10 EFCDHM C[C@@H](c1ccccc1)N(CCNS(C)(=O)=O)Cc1ccccc1[O-] ZINC000179645324 473702163 /nfs/dbraw/zinc/70/21/63/473702163.db2.gz WCTUQFRNGRUDGW-HNNXBMFYSA-N -1 3 348.468 2.505 20 10 EFCDHM CCCOc1ccc(CN2CCN(Cc3cc(C)on3)CC2)c([O-])c1 ZINC000179737309 473715797 /nfs/dbraw/zinc/71/57/97/473715797.db2.gz WFSFGXCGPGZBAK-UHFFFAOYSA-N -1 3 345.443 2.795 20 10 EFCDHM O=C(c1ccsc1)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179948400 473761674 /nfs/dbraw/zinc/76/16/74/473761674.db2.gz QSVSISKZUWRCSM-UHFFFAOYSA-N -1 3 334.416 2.941 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)c([O-])c1O ZINC000186884152 473775236 /nfs/dbraw/zinc/77/52/36/473775236.db2.gz NRAHYNWPGCDOAW-HNNXBMFYSA-N -1 3 349.333 2.898 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(OCc2ccccc2)CC1 ZINC000186914479 473780658 /nfs/dbraw/zinc/78/06/58/473780658.db2.gz ZNIBRSDUQUWJRV-UHFFFAOYSA-N -1 3 327.380 2.919 20 10 EFCDHM O=C(Nc1cccc(CN2CCSCC2)c1)c1cccc(O)c1[O-] ZINC000187046353 473807293 /nfs/dbraw/zinc/80/72/93/473807293.db2.gz JXJICIMCDULPHA-UHFFFAOYSA-N -1 3 344.436 2.899 20 10 EFCDHM Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2[O-])N2CCCC2)o1 ZINC000187060152 473810910 /nfs/dbraw/zinc/81/09/10/473810910.db2.gz JMYUAVVOYPOWSJ-CQSZACIVSA-N -1 3 330.384 2.566 20 10 EFCDHM CCN1CCN(c2cccc(NC(=O)c3ccc([O-])cc3F)c2)CC1 ZINC000187405978 473868282 /nfs/dbraw/zinc/86/82/82/473868282.db2.gz CWBSHJFGPOQEKY-UHFFFAOYSA-N -1 3 343.402 2.926 20 10 EFCDHM CN(Cc1cccc(Cl)c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000180433930 473876715 /nfs/dbraw/zinc/87/67/15/473876715.db2.gz BROVDDAWXKFTIF-KBPBESRZSA-N -1 3 331.865 2.833 20 10 EFCDHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000188074297 473972105 /nfs/dbraw/zinc/97/21/05/473972105.db2.gz YICURPLXESEJEL-GFCCVEGCSA-N -1 3 338.367 2.512 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C)c2)c([O-])c1O ZINC000180902724 473983511 /nfs/dbraw/zinc/98/35/11/473983511.db2.gz UEHMSURCBHLOKB-UHFFFAOYSA-N -1 3 342.395 2.804 20 10 EFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(N2CCCC2=O)c1 ZINC000188294914 474049114 /nfs/dbraw/zinc/04/91/14/474049114.db2.gz FCRHTILKOCPURJ-GFCCVEGCSA-N -1 3 340.379 2.716 20 10 EFCDHM CC[C@@H]1CN(Cc2c([O-])ccc3ccccc32)C[C@H](C)S1(=O)=O ZINC000289088891 474144267 /nfs/dbraw/zinc/14/42/67/474144267.db2.gz OQSFBKABPBGMSW-DZGCQCFKSA-N -1 3 333.453 2.943 20 10 EFCDHM CCn1cnnc1CN[C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275324649 474144901 /nfs/dbraw/zinc/14/49/01/474144901.db2.gz LSYVNFGAXPBDBF-SNVBAGLBSA-N -1 3 339.237 2.925 20 10 EFCDHM CCCCCN1CC(=O)N[C@H]1c1cc(Br)ccc1[O-] ZINC000182318807 474148750 /nfs/dbraw/zinc/14/87/50/474148750.db2.gz CGRXPSYEIYQZRO-CQSZACIVSA-N -1 3 327.222 2.775 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)c([O-])c1O ZINC000182606025 474217023 /nfs/dbraw/zinc/21/70/23/474217023.db2.gz SQDXZRZWOXUSMS-UKRRQHHQSA-N -1 3 329.396 2.691 20 10 EFCDHM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182850986 474270896 /nfs/dbraw/zinc/27/08/96/474270896.db2.gz YIWDUWUZFOYPCR-HNNXBMFYSA-N -1 3 329.396 2.820 20 10 EFCDHM CC(C)Cn1ncnc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000182872240 474274133 /nfs/dbraw/zinc/27/41/33/474274133.db2.gz KURCHNUQVLMEBP-KRWDZBQOSA-N -1 3 344.459 2.821 20 10 EFCDHM COC[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000183085425 474324319 /nfs/dbraw/zinc/32/43/19/474324319.db2.gz CODZXHHCWPWMIC-LJQANCHMSA-N -1 3 343.423 2.818 20 10 EFCDHM CC(C)(C)n1ncnc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000283172131 474326188 /nfs/dbraw/zinc/32/61/88/474326188.db2.gz POGHIYABVHLCCP-INIZCTEOSA-N -1 3 344.459 2.920 20 10 EFCDHM C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289612056 474345034 /nfs/dbraw/zinc/34/50/34/474345034.db2.gz LGTCXYRFNKOACA-RISCZKNCSA-N -1 3 345.270 2.994 20 10 EFCDHM C[C@@H](O)c1ncc(CNCc2cccc(Br)c2[O-])s1 ZINC000289809460 474436176 /nfs/dbraw/zinc/43/61/76/474436176.db2.gz SRGWTEIRNGZSRT-MRVPVSSYSA-N -1 3 343.246 2.954 20 10 EFCDHM O=C1[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCCN1C1CCCCC1 ZINC000276172048 474439708 /nfs/dbraw/zinc/43/97/08/474439708.db2.gz IUSVBTZLWNZYEB-MRXNPFEDSA-N -1 3 347.415 2.714 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](C3(C)OCCO3)C2)c1[O-] ZINC000183892258 474443344 /nfs/dbraw/zinc/44/33/44/474443344.db2.gz MRARCIJGHKGDPX-AWEZNQCLSA-N -1 3 337.391 2.709 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(CCC(N)=O)CC2)c1[O-] ZINC000271248401 474458391 /nfs/dbraw/zinc/45/83/91/474458391.db2.gz QZNVDPPAOAOVHP-UHFFFAOYSA-N -1 3 338.835 2.726 20 10 EFCDHM COC(=O)CN(CC[C@H]1CCCO1)Cc1cc(Cl)ccc1[O-] ZINC000189664303 474459496 /nfs/dbraw/zinc/45/94/96/474459496.db2.gz ROCCWNLPRSXMNK-CQSZACIVSA-N -1 3 327.808 2.590 20 10 EFCDHM COc1c([O-])c(CN[C@@H]2c3ccccc3O[C@H]2C)ccc1[N+](=O)[O-] ZINC000289985831 474515772 /nfs/dbraw/zinc/51/57/72/474515772.db2.gz BWOYUSNPQQYFGB-BONVTDFDSA-N -1 3 330.340 2.921 20 10 EFCDHM C[C@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1ncnn1C ZINC000276472263 474556106 /nfs/dbraw/zinc/55/61/06/474556106.db2.gz BLNBEWYXDIYDSN-IUCAKERBSA-N -1 3 325.210 2.695 20 10 EFCDHM COC(=O)[C@H](CC(F)(F)F)NCc1cc(Cl)cc(OC)c1[O-] ZINC000276516502 474565591 /nfs/dbraw/zinc/56/55/91/474565591.db2.gz UPSQCAXELMAWEK-VIFPVBQESA-N -1 3 341.713 2.638 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000276763804 474571521 /nfs/dbraw/zinc/57/15/21/474571521.db2.gz ANPSELICOMLBRP-UHFFFAOYSA-N -1 3 349.408 2.917 20 10 EFCDHM Cc1cc(Br)cc(CN2CCn3cnnc3[C@H]2C)c1[O-] ZINC000276772126 474571581 /nfs/dbraw/zinc/57/15/81/474571581.db2.gz IKLITBIXYVQQOQ-SNVBAGLBSA-N -1 3 337.221 2.631 20 10 EFCDHM CC[C@H](CSC)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277280827 474580740 /nfs/dbraw/zinc/58/07/40/474580740.db2.gz QBKXLSFOUYUEQJ-GFCCVEGCSA-N -1 3 342.848 2.951 20 10 EFCDHM CCN1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277585629 474589896 /nfs/dbraw/zinc/58/98/96/474589896.db2.gz RWNHJJBOYNPDQJ-ZDUSSCGKSA-N -1 3 341.249 2.645 20 10 EFCDHM COc1cc(Cl)cc(CN2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000184715109 474593191 /nfs/dbraw/zinc/59/31/91/474593191.db2.gz OSGWBXXRXFGXHE-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM CCOC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277709000 474593756 /nfs/dbraw/zinc/59/37/56/474593756.db2.gz IMWTZLZXZPYUSH-UHFFFAOYSA-N -1 3 340.807 2.625 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000277826456 474596853 /nfs/dbraw/zinc/59/68/53/474596853.db2.gz XIPSOYSDWDQVLF-UHFFFAOYSA-N -1 3 341.390 2.825 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000277826456 474596854 /nfs/dbraw/zinc/59/68/54/474596854.db2.gz XIPSOYSDWDQVLF-UHFFFAOYSA-N -1 3 341.390 2.825 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000277826456 474596858 /nfs/dbraw/zinc/59/68/58/474596858.db2.gz XIPSOYSDWDQVLF-UHFFFAOYSA-N -1 3 341.390 2.825 20 10 EFCDHM Nc1c(Cl)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Cl ZINC000277873504 474597851 /nfs/dbraw/zinc/59/78/51/474597851.db2.gz BBSBJVSHVFWDDP-ZETCQYMHSA-N -1 3 342.104 2.953 20 10 EFCDHM COc1c([O-])c(CNCc2nc(C3CC3)cs2)ccc1[N+](=O)[O-] ZINC000278110226 474601386 /nfs/dbraw/zinc/60/13/86/474601386.db2.gz BDLOCANJFBCASK-UHFFFAOYSA-N -1 3 335.385 2.933 20 10 EFCDHM COc1ccc(N2CCN(C(=O)c3ccc([O-])c(C)c3)CC2)cc1 ZINC000272560068 474617204 /nfs/dbraw/zinc/61/72/04/474617204.db2.gz ZYWGQCZUJFJAPD-UHFFFAOYSA-N -1 3 326.396 2.672 20 10 EFCDHM COc1c([O-])c(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560907 474618626 /nfs/dbraw/zinc/61/86/26/474618626.db2.gz NBCMQXAYGWMUBN-BBRMVZONSA-N -1 3 336.388 2.698 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ncc(C)s3)CC2)c1[O-] ZINC000267427105 474667227 /nfs/dbraw/zinc/66/72/27/474667227.db2.gz BKPSPAQJHMLNAJ-UHFFFAOYSA-N -1 3 349.431 2.821 20 10 EFCDHM COCCOc1cc(C)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000267607772 474676071 /nfs/dbraw/zinc/67/60/71/474676071.db2.gz QOGLUHWIQJUHNE-UHFFFAOYSA-N -1 3 331.368 2.992 20 10 EFCDHM Cc1cc(CNC(=O)c2ccc(C)c(O)c2[O-])cc(N2CCCC2)n1 ZINC000291935543 474758945 /nfs/dbraw/zinc/75/89/45/474758945.db2.gz OYNGNWJFYVQOOP-UHFFFAOYSA-N -1 3 341.411 2.640 20 10 EFCDHM COc1c([O-])c(CN(C)CCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278846789 474870507 /nfs/dbraw/zinc/87/05/07/474870507.db2.gz KREHKTBVDXCNST-UHFFFAOYSA-N -1 3 346.383 2.958 20 10 EFCDHM COc1cc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1C ZINC000278857234 474877408 /nfs/dbraw/zinc/87/74/08/474877408.db2.gz LPIFAFVXFKZWRN-UHFFFAOYSA-N -1 3 332.356 2.916 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc(NC(C)=O)c2)c1 ZINC000273443901 474899944 /nfs/dbraw/zinc/89/99/44/474899944.db2.gz ZIGUPJHYWARQLX-LBPRGKRZSA-N -1 3 342.395 2.988 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(CNC(C)=O)cc2)c1 ZINC000273500395 474932612 /nfs/dbraw/zinc/93/26/12/474932612.db2.gz YRQYEWGJOBMSQP-LBPRGKRZSA-N -1 3 342.395 2.988 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1O ZINC000293367542 474948269 /nfs/dbraw/zinc/94/82/69/474948269.db2.gz YWASGWGZXMQFEX-ZDUSSCGKSA-N -1 3 344.386 2.802 20 10 EFCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273535976 474949932 /nfs/dbraw/zinc/94/99/32/474949932.db2.gz XIWPLEADNDYYSR-UFBFGSQYSA-N -1 3 330.215 2.817 20 10 EFCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273535967 474949965 /nfs/dbraw/zinc/94/99/65/474949965.db2.gz XIWPLEADNDYYSR-PRHODGIISA-N -1 3 330.215 2.817 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCC(=O)N(C)C2CCCCC2)c1 ZINC000273551162 474958335 /nfs/dbraw/zinc/95/83/35/474958335.db2.gz FZDYKJGAVXNANJ-CYBMUJFWSA-N -1 3 348.443 2.621 20 10 EFCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(O[C@@H]2CCOC2)c1 ZINC000279408128 474975370 /nfs/dbraw/zinc/97/53/70/474975370.db2.gz XAKBVPTTYQIPDN-CQSZACIVSA-N -1 3 343.379 2.504 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn3ccc(C)cc3n2)c1 ZINC000273618351 474993503 /nfs/dbraw/zinc/99/35/03/474993503.db2.gz YGAKMIBBVJQMDY-ZDUSSCGKSA-N -1 3 339.395 2.986 20 10 EFCDHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000279824349 474993685 /nfs/dbraw/zinc/99/36/85/474993685.db2.gz MMXPIKGOJLRITM-PIGZYNQJSA-N -1 3 331.368 2.612 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000280468031 475026966 /nfs/dbraw/zinc/02/69/66/475026966.db2.gz MWCOMKGABZNXCW-JKDFXYPNSA-N -1 3 341.835 2.823 20 10 EFCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc([S@](C)=O)cc1 ZINC000268824207 475044474 /nfs/dbraw/zinc/04/44/74/475044474.db2.gz KVOVKCKJJYFKIT-RULNZOCKSA-N -1 3 334.397 2.889 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000293785125 475052959 /nfs/dbraw/zinc/05/29/59/475052959.db2.gz CBMGBGWYUPUZES-CYBMUJFWSA-N -1 3 326.780 2.833 20 10 EFCDHM Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)c([O-])c1O ZINC000293819414 475053535 /nfs/dbraw/zinc/05/35/35/475053535.db2.gz UWWRMKSMFOCUTN-JTQLQIEISA-N -1 3 333.306 2.588 20 10 EFCDHM COc1cc(Cl)cc(CN2CCN(Cc3ccco3)CC2)c1[O-] ZINC000273797380 475059442 /nfs/dbraw/zinc/05/94/42/475059442.db2.gz WMWGYKPSASZOTC-UHFFFAOYSA-N -1 3 336.819 2.965 20 10 EFCDHM Cc1ccc(C(=O)N(C)CCCN(C)Cc2ccco2)c([O-])c1O ZINC000286468694 475065915 /nfs/dbraw/zinc/06/59/15/475065915.db2.gz INQJHUUFNYWLQC-UHFFFAOYSA-N -1 3 332.400 2.593 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(c3noc(C(C)C)n3)CC2)c([O-])c1O ZINC000294801283 475083765 /nfs/dbraw/zinc/08/37/65/475083765.db2.gz UEXPNHPRYDXHNH-UHFFFAOYSA-N -1 3 345.399 2.932 20 10 EFCDHM CC(C)c1nc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)no1 ZINC000294872006 475088827 /nfs/dbraw/zinc/08/88/27/475088827.db2.gz YYGVPNNRCIOCIE-UHFFFAOYSA-N -1 3 331.372 2.624 20 10 EFCDHM CC1(C)C[C@H](O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295150416 475108462 /nfs/dbraw/zinc/10/84/62/475108462.db2.gz COVMCTLSZAJTJD-GFCCVEGCSA-N -1 3 328.796 2.937 20 10 EFCDHM COCCc1ccnc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000287507355 475177868 /nfs/dbraw/zinc/17/78/68/475177868.db2.gz NZINSHJTHGWNLG-GFCCVEGCSA-N -1 3 330.384 2.936 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1[O-] ZINC000361366003 475389200 /nfs/dbraw/zinc/38/92/00/475389200.db2.gz RFKSMJHMGVXZDK-MRXNPFEDSA-N -1 3 348.418 2.711 20 10 EFCDHM COc1c([O-])c(CN(C)[C@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000369326488 476409306 /nfs/dbraw/zinc/40/93/06/476409306.db2.gz ICZGPYLOZQGNLH-ZDUSSCGKSA-N -1 3 346.387 2.552 20 10 EFCDHM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000377681897 476517839 /nfs/dbraw/zinc/51/78/39/476517839.db2.gz XJKJBTUHMLLXMC-CYBMUJFWSA-N -1 3 337.725 2.973 20 10 EFCDHM Cn1ccnc1[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000377887177 476629860 /nfs/dbraw/zinc/62/98/60/476629860.db2.gz DDJGVUBZOCMKDJ-JTQLQIEISA-N -1 3 336.779 2.677 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377972891 476658346 /nfs/dbraw/zinc/65/83/46/476658346.db2.gz NHEBVKBNGKDAFW-IBGZPJMESA-N -1 3 325.364 2.708 20 10 EFCDHM CC(C)[C@]1(CO)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000378130791 476684856 /nfs/dbraw/zinc/68/48/56/476684856.db2.gz OCSKKPSZPJGKKZ-OAHLLOKOSA-N -1 3 328.796 2.794 20 10 EFCDHM COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(C)c(O)c1[O-] ZINC000378554279 476719204 /nfs/dbraw/zinc/71/92/04/476719204.db2.gz WBLQPIJCJPODRV-ZDUSSCGKSA-N -1 3 329.352 2.668 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)c([O-])c1O ZINC000378564779 476720413 /nfs/dbraw/zinc/72/04/13/476720413.db2.gz VMINHCBXOJWFDE-UHFFFAOYSA-N -1 3 326.396 2.896 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC(C)(c3nc(C)no3)CC2)c1[O-] ZINC000378576453 476721291 /nfs/dbraw/zinc/72/12/91/476721291.db2.gz BZRDWZHNMRDSKQ-UHFFFAOYSA-N -1 3 347.390 2.979 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000371310303 477233586 /nfs/dbraw/zinc/23/35/86/477233586.db2.gz JACFJLDEOZQKKT-MRXNPFEDSA-N -1 3 347.390 2.647 20 10 EFCDHM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1[O-] ZINC000372443805 477796700 /nfs/dbraw/zinc/79/67/00/477796700.db2.gz WRPGRNGALZNCAB-INIZCTEOSA-N -1 3 330.815 2.719 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000372679342 477809065 /nfs/dbraw/zinc/80/90/65/477809065.db2.gz BSQMKDRSRSBPNN-CYBMUJFWSA-N -1 3 331.391 2.847 20 10 EFCDHM CCn1nncc1CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000527920674 478571605 /nfs/dbraw/zinc/57/16/05/478571605.db2.gz QIIJWWDBYLMLJU-SECBINFHSA-N -1 3 325.210 2.617 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC3CC2(c2nc(C)no2)C3)c1[O-] ZINC000528632243 478859375 /nfs/dbraw/zinc/85/93/75/478859375.db2.gz XLXUENLLHQIJJD-UHFFFAOYSA-N -1 3 331.347 2.546 20 10 EFCDHM [O-]c1ccccc1CN(Cc1cnc2cnccn12)C[C@@H]1CCCO1 ZINC000160175906 534457176 /nfs/dbraw/zinc/45/71/76/534457176.db2.gz VFPHOVWOOPJABT-KRWDZBQOSA-N -1 3 338.411 2.616 20 10 EFCDHM CCCn1c(C)nnc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000162997773 528812420 /nfs/dbraw/zinc/81/24/20/528812420.db2.gz DIHDSTSGKZQAEZ-KRWDZBQOSA-N -1 3 344.459 2.883 20 10 EFCDHM CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000367983501 536148818 /nfs/dbraw/zinc/14/88/18/536148818.db2.gz PMDPYRCXNSJEQP-LBPRGKRZSA-N -1 3 331.372 2.719 20 10 EFCDHM COc1cc(C)c([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000280310811 536623511 /nfs/dbraw/zinc/62/35/11/536623511.db2.gz XTVRDEOZEXSDPC-NSHDSACASA-N -1 3 331.368 2.914 20 10 EFCDHM COc1c([O-])c(CN2CCOCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000364455895 536861893 /nfs/dbraw/zinc/86/18/93/536861893.db2.gz PZPJWDDMNHQPHJ-UHFFFAOYSA-N -1 3 336.388 2.702 20 10 EFCDHM COc1ccc(N2CCN(C(=O)c3cc([O-])cs3)CC2)cc1F ZINC000754036672 575378810 /nfs/dbraw/zinc/37/88/10/575378810.db2.gz FPOPOYBFEFMJHE-UHFFFAOYSA-N -1 3 336.388 2.564 20 10 EFCDHM CC(=O)c1cc(CN2CC=C(C)CC2)c([O-])c(CN2CCOCC2)c1 ZINC000755766290 575630024 /nfs/dbraw/zinc/63/00/24/575630024.db2.gz BCAKHMWMCOKNAE-UHFFFAOYSA-N -1 3 344.455 2.579 20 10 EFCDHM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000756363482 575723801 /nfs/dbraw/zinc/72/38/01/575723801.db2.gz MLAALFROAUXREE-SFHVURJKSA-N -1 3 344.386 2.578 20 10 EFCDHM C[C@H](N[C@H]1CCCCNC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756396344 575730408 /nfs/dbraw/zinc/73/04/08/575730408.db2.gz MRTXQXYIURFDNO-UFBFGSQYSA-N -1 3 345.212 2.613 20 10 EFCDHM C[C@H](N[C@@H]1CCCCNC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756396342 575730434 /nfs/dbraw/zinc/73/04/34/575730434.db2.gz MRTXQXYIURFDNO-QPUJVOFHSA-N -1 3 345.212 2.613 20 10 EFCDHM C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000756456715 575742157 /nfs/dbraw/zinc/74/21/57/575742157.db2.gz OFIUOVHKENOGQE-ZDUSSCGKSA-N -1 3 337.416 2.797 20 10 EFCDHM CCn1nc(C)c(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1C ZINC000756536259 575756954 /nfs/dbraw/zinc/75/69/54/575756954.db2.gz RTKKIAAIWWWQLW-NSHDSACASA-N -1 3 331.416 2.863 20 10 EFCDHM C[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756650250 575772431 /nfs/dbraw/zinc/77/24/31/575772431.db2.gz VBFGVTHUGVLPHN-SNVBAGLBSA-N -1 3 337.376 2.570 20 10 EFCDHM CC(C)[C@H](N[C@H](C)c1cc(F)cc(F)c1[O-])C(=O)N1CCCC1 ZINC000756709337 575779705 /nfs/dbraw/zinc/77/97/05/575779705.db2.gz LLSAAHOLPKMQOG-ABAIWWIYSA-N -1 3 326.387 2.968 20 10 EFCDHM C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756757357 575784286 /nfs/dbraw/zinc/78/42/86/575784286.db2.gz BGQFWEXISPZMRL-LRDDRELGSA-N -1 3 347.415 2.885 20 10 EFCDHM C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756757350 575784343 /nfs/dbraw/zinc/78/43/43/575784343.db2.gz BGQFWEXISPZMRL-BLLLJJGKSA-N -1 3 347.415 2.885 20 10 EFCDHM C[C@H](CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])S(C)(=O)=O ZINC000756769348 575785550 /nfs/dbraw/zinc/78/55/50/575785550.db2.gz KMOLZTFSJXIBLW-SFYZADRCSA-N -1 3 326.245 2.783 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000756796047 575787227 /nfs/dbraw/zinc/78/72/27/575787227.db2.gz IOWGBMXLLAHLIU-JTQLQIEISA-N -1 3 342.351 2.683 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)C(=O)NCC3)c1 ZINC000757615360 575845389 /nfs/dbraw/zinc/84/53/89/575845389.db2.gz YEPLORBFGPYGFQ-LLVKDONJSA-N -1 3 340.379 2.638 20 10 EFCDHM C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Cl)ccc1[O-] ZINC000757638726 575846915 /nfs/dbraw/zinc/84/69/15/575846915.db2.gz RDJPZPBOCHXDKD-SNVBAGLBSA-N -1 3 334.807 2.694 20 10 EFCDHM O=S1(=O)CCc2cc(CNCc3c([O-])cccc3Cl)ccc21 ZINC000757691671 575850094 /nfs/dbraw/zinc/85/00/94/575850094.db2.gz BJSYLNRUZSVUCH-UHFFFAOYSA-N -1 3 337.828 2.665 20 10 EFCDHM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000757914860 575855717 /nfs/dbraw/zinc/85/57/17/575855717.db2.gz UOIBTNKFXFSDIF-OAHLLOKOSA-N -1 3 346.452 2.663 20 10 EFCDHM O=C(O[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc([O-])cs1 ZINC000760514607 576038335 /nfs/dbraw/zinc/03/83/35/576038335.db2.gz KRNQJGAKOSDARN-CQSZACIVSA-N -1 3 331.393 2.802 20 10 EFCDHM Cc1cccnc1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761021276 576101836 /nfs/dbraw/zinc/10/18/36/576101836.db2.gz SAIYJVODBAJXCN-UHFFFAOYSA-N -1 3 331.759 2.718 20 10 EFCDHM COc1cc(Cl)cc(CN(C)Cc2cccc(C(N)=O)c2)c1[O-] ZINC000761192199 576127625 /nfs/dbraw/zinc/12/76/25/576127625.db2.gz GOGZSAUZKLQVCX-UHFFFAOYSA-N -1 3 334.803 2.785 20 10 EFCDHM COC(=O)[C@@H]1CCCCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000761217476 576131209 /nfs/dbraw/zinc/13/12/09/576131209.db2.gz VTKCLMPEOGYPMF-ZDUSSCGKSA-N -1 3 327.808 2.972 20 10 EFCDHM CCOc1ccc(CN2CCN(C(=O)C3CC3)CC2(C)C)c([O-])c1 ZINC000761226767 576132839 /nfs/dbraw/zinc/13/28/39/576132839.db2.gz UASBWYJECYYXIT-UHFFFAOYSA-N -1 3 332.444 2.624 20 10 EFCDHM Cc1cnccc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761284337 576140436 /nfs/dbraw/zinc/14/04/36/576140436.db2.gz YXPSXMIAPHZFMO-UHFFFAOYSA-N -1 3 345.786 2.713 20 10 EFCDHM O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cc([O-])cs1 ZINC000761589965 576185018 /nfs/dbraw/zinc/18/50/18/576185018.db2.gz ANUVUSXABXMSRW-UHFFFAOYSA-N -1 3 332.303 2.676 20 10 EFCDHM O=C1N[C@H](c2cc(-c3ccccc3)ccc2[O-])N2CCSC[C@@H]12 ZINC000765514574 577049613 /nfs/dbraw/zinc/04/96/13/577049613.db2.gz DFCFBSJDOLXNBR-RDJZCZTQSA-N -1 3 326.421 2.605 20 10 EFCDHM COc1cc(Cl)cc(CN2CCN(c3ccccc3)C(=O)C2)c1[O-] ZINC000765703571 577068816 /nfs/dbraw/zinc/06/88/16/577068816.db2.gz BNCZWBILAPDVEW-UHFFFAOYSA-N -1 3 346.814 2.903 20 10 EFCDHM COC(=O)C[C@]1(NCc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000766468647 577154450 /nfs/dbraw/zinc/15/44/50/577154450.db2.gz LRRPUQAUCFSFNI-CQSZACIVSA-N -1 3 334.199 2.511 20 10 EFCDHM COc1cccc([O-])c1CN1CCc2cc(OC)c(OC)cc2C1 ZINC000768160402 577258632 /nfs/dbraw/zinc/25/86/32/577258632.db2.gz LYRHHYDVYYFSOL-UHFFFAOYSA-N -1 3 329.396 2.976 20 10 EFCDHM CCNC(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768212601 577261108 /nfs/dbraw/zinc/26/11/08/577261108.db2.gz MPOGUHJCAIWXRY-UHFFFAOYSA-N -1 3 339.439 2.906 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@H](c3ccccc3F)C1)[C@H](O)CO2 ZINC000768449303 577274681 /nfs/dbraw/zinc/27/46/81/577274681.db2.gz FZNDDGIDZUJWSR-MJGOQNOKSA-N -1 3 345.370 2.531 20 10 EFCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H](c2ccccc2)CO1 ZINC000768467108 577276551 /nfs/dbraw/zinc/27/65/51/577276551.db2.gz YUCZAYBEBFGTKF-XVSDVWIESA-N -1 3 341.407 2.780 20 10 EFCDHM CCOc1ccc(CN2CCN(c3cc(C)ccn3)CC2)c([O-])c1 ZINC000768891798 577314604 /nfs/dbraw/zinc/31/46/04/577314604.db2.gz XSPAOYMRBVMUFO-UHFFFAOYSA-N -1 3 327.428 2.817 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000768921684 577316523 /nfs/dbraw/zinc/31/65/23/577316523.db2.gz CBZOFMAWHCJTGU-UHFFFAOYSA-N -1 3 344.411 2.569 20 10 EFCDHM CCOc1ccc(CN2CCN(Cc3cscn3)CC2)c([O-])c1 ZINC000769023146 577324754 /nfs/dbraw/zinc/32/47/54/577324754.db2.gz SEKSKAMLXOYTNO-UHFFFAOYSA-N -1 3 333.457 2.565 20 10 EFCDHM CCOc1ccc(CN2CCN(C(=O)OCC(C)C)CC2)c([O-])c1 ZINC000769229442 577345868 /nfs/dbraw/zinc/34/58/68/577345868.db2.gz JNSFZPBNTHXDDQ-UHFFFAOYSA-N -1 3 336.432 2.701 20 10 EFCDHM CCOc1ccc(CN(C)CC(=O)Nc2cc(C)ccn2)c([O-])c1 ZINC000769229932 577345875 /nfs/dbraw/zinc/34/58/75/577345875.db2.gz VIXFLGXMYCQZFC-UHFFFAOYSA-N -1 3 329.400 2.565 20 10 EFCDHM CC(C)COC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769229008 577345881 /nfs/dbraw/zinc/34/58/81/577345881.db2.gz IPINTFOURZLZPF-UHFFFAOYSA-N -1 3 326.824 2.956 20 10 EFCDHM COc1ccccc1CN1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000769317416 577351635 /nfs/dbraw/zinc/35/16/35/577351635.db2.gz PEURHWXQWADKIP-UHFFFAOYSA-N -1 3 342.439 2.727 20 10 EFCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@@H]2CCCC[C@H]21 ZINC000769415872 577360979 /nfs/dbraw/zinc/36/09/79/577360979.db2.gz ZZDDRBVVWHHTKA-UKRRQHHQSA-N -1 3 329.849 2.587 20 10 EFCDHM CCOc1ccc(CN2CCN(c3ncc(C)s3)CC2)c([O-])c1 ZINC000769457965 577363362 /nfs/dbraw/zinc/36/33/62/577363362.db2.gz RKKFZDNIBWYXSJ-UHFFFAOYSA-N -1 3 333.457 2.878 20 10 EFCDHM COc1cc(Br)cc(CN2CCCOC[C@@H]2C)c1[O-] ZINC000769458432 577363459 /nfs/dbraw/zinc/36/34/59/577363459.db2.gz UQYBWANWEYEAID-JTQLQIEISA-N -1 3 330.222 2.774 20 10 EFCDHM CCOc1ccc(CN2CCNC(=O)[C@H]2c2cccs2)c([O-])c1 ZINC000769478772 577365683 /nfs/dbraw/zinc/36/56/83/577365683.db2.gz FYIRMKXIWJZHNF-MRXNPFEDSA-N -1 3 332.425 2.526 20 10 EFCDHM CCOc1ccc(CN(C)Cc2nc([C@H](C)OCC)no2)c([O-])c1 ZINC000769502743 577367781 /nfs/dbraw/zinc/36/77/81/577367781.db2.gz OGEJCOYUCAJZCA-LBPRGKRZSA-N -1 3 335.404 2.903 20 10 EFCDHM COC(=O)Nc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1F ZINC000770486857 577421103 /nfs/dbraw/zinc/42/11/03/577421103.db2.gz UXCSXQADJVDZIH-UHFFFAOYSA-N -1 3 334.303 2.976 20 10 EFCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cs1 ZINC000772584634 581343530 /nfs/dbraw/zinc/34/35/30/581343530.db2.gz YQPINGQAUGCHAB-GHMZBOCLSA-N -1 3 340.445 2.972 20 10 EFCDHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773087263 581395523 /nfs/dbraw/zinc/39/55/23/581395523.db2.gz IHKIBNNBRDGSJV-SNVBAGLBSA-N -1 3 325.459 2.557 20 10 EFCDHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)c[nH]1 ZINC000773089147 581395746 /nfs/dbraw/zinc/39/57/46/581395746.db2.gz SDPGVHOQPDOYCM-LBPRGKRZSA-N -1 3 336.461 2.639 20 10 EFCDHM C[C@H](CN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])S(C)(=O)=O ZINC000774266605 581488417 /nfs/dbraw/zinc/48/84/17/581488417.db2.gz REMOAPHNAQGJON-SFYZADRCSA-N -1 3 326.245 2.783 20 10 EFCDHM COc1c([O-])c(CNc2cccc(-c3nnco3)c2)ccc1[N+](=O)[O-] ZINC000774821766 581501626 /nfs/dbraw/zinc/50/16/26/581501626.db2.gz RRDDZJNFYXEIOH-UHFFFAOYSA-N -1 3 342.311 2.971 20 10 EFCDHM COc1c([O-])c(CN(Cc2ccccc2)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000774839866 581502147 /nfs/dbraw/zinc/50/21/47/581502147.db2.gz FOQONRGGKBFFOX-CYBMUJFWSA-N -1 3 346.383 2.692 20 10 EFCDHM COCCOc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774914357 581504038 /nfs/dbraw/zinc/50/40/38/581504038.db2.gz HKLLMYNQAOIVFJ-UHFFFAOYSA-N -1 3 348.355 2.946 20 10 EFCDHM COc1c([O-])c(CNc2ccc(-n3ccnn3)cc2)ccc1[N+](=O)[O-] ZINC000774932194 581504457 /nfs/dbraw/zinc/50/44/57/581504457.db2.gz KOQBGOXCYSHXHD-UHFFFAOYSA-N -1 3 341.327 2.502 20 10 EFCDHM Cc1cc(C(=O)OCCCF)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240943 599062068 /nfs/dbraw/zinc/06/20/68/599062068.db2.gz HXYZKENQINSNAN-UHFFFAOYSA-N -1 3 343.362 2.791 20 10 EFCDHM CCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736462062 598609100 /nfs/dbraw/zinc/60/91/00/598609100.db2.gz ZWLOVXAAVLQOGJ-UHFFFAOYSA-N -1 3 338.415 2.804 20 10 EFCDHM CCCN(CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccccc1O ZINC000737007056 599769995 /nfs/dbraw/zinc/76/99/95/599769995.db2.gz AUTUEGBSABTEQV-UHFFFAOYSA-N -1 3 348.443 2.508 20 10 EFCDHM CCN1C[C@H](C)N(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000833659154 605119657 /nfs/dbraw/zinc/11/96/57/605119657.db2.gz YITUFQWNKMEGJI-UWNIJABGSA-N -1 3 333.388 2.612 20 10 EFCDHM CC1=C(C(=O)[O-])C[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000833584883 605360996 /nfs/dbraw/zinc/36/09/96/605360996.db2.gz SSJOESDUBLFXNY-HZPDHXFCSA-N -1 3 347.411 2.521 20 10 EFCDHM CC1=C(C(=O)[O-])C[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000833584883 605360998 /nfs/dbraw/zinc/36/09/98/605360998.db2.gz SSJOESDUBLFXNY-HZPDHXFCSA-N -1 3 347.411 2.521 20 10 EFCDHM COc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1O ZINC000826216014 608377491 /nfs/dbraw/zinc/37/74/91/608377491.db2.gz GSOVCDYECIEAQZ-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1O ZINC000826216014 608377493 /nfs/dbraw/zinc/37/74/93/608377493.db2.gz GSOVCDYECIEAQZ-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM CCCCN(CC(N)=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708145605 1259679658 /nfs/dbraw/zinc/67/96/58/1259679658.db2.gz JNUYXOFJRZFLHV-UHFFFAOYSA-N -1 3 349.656 2.896 20 10 EFCDHM CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1[O-] ZINC000824895021 1278330450 /nfs/dbraw/zinc/33/04/50/1278330450.db2.gz PDRNWAOTXGHWEI-SNVBAGLBSA-N -1 3 330.222 2.927 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000824920301 1278354344 /nfs/dbraw/zinc/35/43/44/1278354344.db2.gz JRBIXQFLAIHCPW-HUUCEWRRSA-N -1 3 342.233 2.535 20 10 EFCDHM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1c([O-])cccc1Cl ZINC001273107836 1267772346 /nfs/dbraw/zinc/77/23/46/1267772346.db2.gz GICWFYVTPGMLBW-MRXNPFEDSA-N -1 3 344.789 2.878 20 10 EFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(F)c(F)cc2[O-])N1CC(F)F ZINC001273379349 1269279629 /nfs/dbraw/zinc/27/96/29/1269279629.db2.gz TXVYWNJMPFPSRR-CHWSQXEVSA-N -1 3 346.324 2.501 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccc(C)cc3C(=O)N2C)c1 ZINC000741257028 1269442464 /nfs/dbraw/zinc/44/24/64/1269442464.db2.gz BPBIIYAYIJFLKE-INIZCTEOSA-N -1 3 326.352 2.684 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1(OC)CCCC1 ZINC000792167998 1278609519 /nfs/dbraw/zinc/60/95/19/1278609519.db2.gz XDKZAWVTRHPOBQ-UHFFFAOYSA-N -1 3 341.835 2.980 20 10 EFCDHM CS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(F)c2[O-])s1 ZINC000787426848 1275772475 /nfs/dbraw/zinc/77/24/75/1275772475.db2.gz RRIRKCSOAGHYSV-UHFFFAOYSA-N -1 3 349.836 2.940 20 10 EFCDHM C[C@H](NCc1nnc2n1CCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000788509209 1276204474 /nfs/dbraw/zinc/20/44/74/1276204474.db2.gz ZSQYKQQYFSBOJQ-VIFPVBQESA-N -1 3 326.322 2.800 20 10 EFCDHM C[C@@H](NCC(F)(F)CN)c1cc(Br)c(F)cc1[O-] ZINC000817966267 1276410784 /nfs/dbraw/zinc/41/07/84/1276410784.db2.gz JXTVFMSDZWFWFK-ZCFIWIBFSA-N -1 3 327.144 2.538 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(COCCO)cc2)c1 ZINC000818362185 1276519147 /nfs/dbraw/zinc/51/91/47/1276519147.db2.gz RFDOXMQNPNEOEQ-CYBMUJFWSA-N -1 3 345.395 2.861 20 10 EFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000818363909 1276520219 /nfs/dbraw/zinc/52/02/19/1276520219.db2.gz PGAOZBIEXFUMHR-NSHDSACASA-N -1 3 341.342 2.914 20 10 EFCDHM CC(C)OC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790488085 1277596844 /nfs/dbraw/zinc/59/68/44/1277596844.db2.gz ZEHLQEHYTSDXPK-HNNXBMFYSA-N -1 3 343.379 2.911 20 10 EFCDHM O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1cccc(O)c1[O-] ZINC000790546709 1277639964 /nfs/dbraw/zinc/63/99/64/1277639964.db2.gz KZQWBFOXRLCWMX-UHFFFAOYSA-N -1 3 336.347 2.560 20 10 EFCDHM COc1cc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc(OC)c1OC ZINC000790541414 1277655472 /nfs/dbraw/zinc/65/54/72/1277655472.db2.gz HOPNBTHEQGWXHH-JTQLQIEISA-N -1 3 347.367 2.615 20 10 EFCDHM COc1ccc(OC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000790545787 1277660279 /nfs/dbraw/zinc/66/02/79/1277660279.db2.gz FCUOWXZNBBOOOO-UHFFFAOYSA-N -1 3 343.379 2.790 20 10 EFCDHM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)c3cccc(O)c3[O-])nnc1-2 ZINC000790725921 1277750084 /nfs/dbraw/zinc/75/00/84/1277750084.db2.gz LFRAGULIQKMTKM-UHFFFAOYSA-N -1 3 349.350 2.627 20 10 EFCDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1[O-] ZINC000790921960 1277845485 /nfs/dbraw/zinc/84/54/85/1277845485.db2.gz KIIVKGUUHYJTEM-UHFFFAOYSA-N -1 3 336.731 2.632 20 10 EFCDHM COc1ccc(C2(CNC(=O)c3cccc(O)c3[O-])CCC2)cc1 ZINC000790930109 1277851165 /nfs/dbraw/zinc/85/11/65/1277851165.db2.gz JQNUYVCMJDEAEC-UHFFFAOYSA-N -1 3 327.380 2.958 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c([O-])c1O ZINC000792831156 1279190688 /nfs/dbraw/zinc/19/06/88/1279190688.db2.gz KLELRJXQKYEMKL-ZDUSSCGKSA-N -1 3 342.395 2.884 20 10 EFCDHM COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000844852580 1279309948 /nfs/dbraw/zinc/30/99/48/1279309948.db2.gz RHXKHXDCIYVIKE-UHFFFAOYSA-N -1 3 328.412 2.918 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@H](O)[C@@H](F)CC1 ZINC001144299129 1279386337 /nfs/dbraw/zinc/38/63/37/1279386337.db2.gz QBXWBNMXNFMNCP-JQWIXIFHSA-N -1 3 336.176 2.589 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@H]2OCC[C@@H]2C1 ZINC001144306582 1279403668 /nfs/dbraw/zinc/40/36/68/1279403668.db2.gz HTJDVYXZPUKUCJ-YMTOWFKASA-N -1 3 330.197 2.905 20 10 EFCDHM Cc1ccc(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)c([O-])c1O ZINC000805242352 1280483573 /nfs/dbraw/zinc/48/35/73/1280483573.db2.gz LABDCODNOOXUIO-UHFFFAOYSA-N -1 3 348.742 2.643 20 10 EFCDHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000846974223 1280655148 /nfs/dbraw/zinc/65/51/48/1280655148.db2.gz SQZIFTSEAWRSFA-OJLVUWQFSA-N -1 3 333.428 2.890 20 10 EFCDHM Cc1nn(C)c(C)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001146858209 1281053103 /nfs/dbraw/zinc/05/31/03/1281053103.db2.gz ITVQHICYHDNMDW-UHFFFAOYSA-N -1 3 344.802 2.874 20 10 EFCDHM CN(CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCSC1 ZINC000807840353 1281435346 /nfs/dbraw/zinc/43/53/46/1281435346.db2.gz ZZVUSJMVEQNGNT-LLVKDONJSA-N -1 3 349.283 2.753 20 10 EFCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(C(=O)OC(C)(C)C)n1 ZINC001148212967 1281454263 /nfs/dbraw/zinc/45/42/63/1281454263.db2.gz SHCAUHYJCJZYES-UHFFFAOYSA-N -1 3 333.344 2.638 20 10 EFCDHM Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC001148220045 1281457016 /nfs/dbraw/zinc/45/70/16/1281457016.db2.gz NAWOLCZAUIZEFE-UHFFFAOYSA-N -1 3 337.379 2.830 20 10 EFCDHM COCCCOc1ccc(F)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148218706 1281457112 /nfs/dbraw/zinc/45/71/12/1281457112.db2.gz IAXDKVMJSVRUJJ-UHFFFAOYSA-N -1 3 335.331 2.905 20 10 EFCDHM COC(=O)c1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC001148218993 1281457443 /nfs/dbraw/zinc/45/74/43/1281457443.db2.gz QNKSXOYSJHLMCH-HNNXBMFYSA-N -1 3 341.363 2.862 20 10 EFCDHM COC(=O)C[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001148218810 1281457764 /nfs/dbraw/zinc/45/77/64/1281457764.db2.gz LYVKQJCJCRTIEK-CYBMUJFWSA-N -1 3 343.379 2.692 20 10 EFCDHM O=C(COC(=O)[C@@H]1CCCCN1C1CCCC1)c1ccc([O-])c(O)c1 ZINC000815446416 1287507535 /nfs/dbraw/zinc/50/75/35/1287507535.db2.gz VTZLIYNLHQQINN-HNNXBMFYSA-N -1 3 347.411 2.621 20 10 EFCDHM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581831 1281658511 /nfs/dbraw/zinc/65/85/11/1281658511.db2.gz BWVQNXLVAHGQJF-UHFFFAOYSA-N -1 3 339.351 2.858 20 10 EFCDHM CCN(C(=O)c1cc(O)c([O-])c(O)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001148581342 1281659099 /nfs/dbraw/zinc/65/90/99/1281659099.db2.gz QJAYNCWDNXBHQK-LBPRGKRZSA-N -1 3 345.395 2.905 20 10 EFCDHM Cc1ccc(Br)nc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582880 1281660875 /nfs/dbraw/zinc/66/08/75/1281660875.db2.gz OXGGKAHNPRERFU-UHFFFAOYSA-N -1 3 339.145 2.522 20 10 EFCDHM CC1(C)Cc2c(NC(=O)c3cc(O)c([O-])c(O)c3)cccc2NC1=O ZINC001148586095 1281662077 /nfs/dbraw/zinc/66/20/77/1281662077.db2.gz IJADYYQCJFUHCN-UHFFFAOYSA-N -1 3 342.351 2.577 20 10 EFCDHM CC(C)(CNC(=O)c1cc(O)c([O-])c(O)c1)c1c[nH]c2ccccc21 ZINC001148590601 1281664132 /nfs/dbraw/zinc/66/41/32/1281664132.db2.gz NMQPNPRCGUBVGS-UHFFFAOYSA-N -1 3 340.379 2.992 20 10 EFCDHM CC(F)(F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000808462137 1281723105 /nfs/dbraw/zinc/72/31/05/1281723105.db2.gz TYYLMOJOMBKPTP-GFCCVEGCSA-N -1 3 332.778 2.781 20 10 EFCDHM CN(Cc1cccc(Br)c1[O-])C[C@@H](O)C(F)(F)F ZINC000809750956 1282454854 /nfs/dbraw/zinc/45/48/54/1282454854.db2.gz KKXBUQODBDAHKR-SECBINFHSA-N -1 3 328.128 2.510 20 10 EFCDHM COc1c([O-])c(CNc2cccc3c2COC3=O)ccc1[N+](=O)[O-] ZINC000809791033 1282490580 /nfs/dbraw/zinc/49/05/80/1282490580.db2.gz SANHIKNIUKPOCA-UHFFFAOYSA-N -1 3 330.296 2.592 20 10 EFCDHM O=C1CCCN1[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816507169 1288177449 /nfs/dbraw/zinc/17/74/49/1288177449.db2.gz YJHRLGRRUSEPCM-GFCCVEGCSA-N -1 3 326.799 2.772 20 10 EFCDHM CN(CC(=O)NCc1ccccc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816514192 1288182822 /nfs/dbraw/zinc/18/28/22/1288182822.db2.gz PIIDZWRLFRIZRO-UHFFFAOYSA-N -1 3 336.794 2.933 20 10 EFCDHM CC[C@H]1CN(Cc2ccc3ccccc3c2[O-])C[C@@H](C)S1(=O)=O ZINC000816609462 1288223516 /nfs/dbraw/zinc/22/35/16/1288223516.db2.gz CHONAICZEUWAGR-CJNGLKHVSA-N -1 3 333.453 2.943 20 10 EFCDHM CC(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1[O-] ZINC000816910579 1288326846 /nfs/dbraw/zinc/32/68/46/1288326846.db2.gz LUFAJLGIRBKQKB-UHFFFAOYSA-N -1 3 338.407 2.907 20 10 EFCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816938842 1288346244 /nfs/dbraw/zinc/34/62/44/1288346244.db2.gz LQMBFESCSXJKJR-UHFFFAOYSA-N -1 3 339.395 2.574 20 10 EFCDHM CN1C(=O)NCC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000822530012 1289010597 /nfs/dbraw/zinc/01/05/97/1289010597.db2.gz NKRKJWSBVSLEPE-UHFFFAOYSA-N -1 3 344.242 2.689 20 10 EFCDHM Cc1noc(C)c1CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000091890587 1290603928 /nfs/dbraw/zinc/60/39/28/1290603928.db2.gz AAAVEZRGJWVIHM-UHFFFAOYSA-N -1 3 335.835 2.968 20 10 EFCDHM CCCN(CC(=O)OCC)Cc1cccc(Br)c1[O-] ZINC000092380450 1290686236 /nfs/dbraw/zinc/68/62/36/1290686236.db2.gz BEOJIMGRGATDME-UHFFFAOYSA-N -1 3 330.222 2.930 20 10 EFCDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])[C@@H](C)CO1 ZINC001232977839 1312824291 /nfs/dbraw/zinc/82/42/91/1312824291.db2.gz OCQJENFFYOXBTL-VHSXEESVSA-N -1 3 347.196 2.606 20 10 EFCDHM O=C1CCCN(Cc2ccc(I)cc2[O-])CC1 ZINC001232975620 1312824509 /nfs/dbraw/zinc/82/45/09/1312824509.db2.gz IITIBZBOYWLRBO-UHFFFAOYSA-N -1 3 345.180 2.552 20 10 EFCDHM COc1c([O-])c(CN2CCN(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000775056825 1291028208 /nfs/dbraw/zinc/02/82/08/1291028208.db2.gz MZERLGNEOVCRMP-UHFFFAOYSA-N -1 3 329.356 2.765 20 10 EFCDHM C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)CC[C@H]1O ZINC001233027400 1312835194 /nfs/dbraw/zinc/83/51/94/1312835194.db2.gz RELWULNISQTHFQ-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@H](CO)CC1 ZINC001233028482 1312835912 /nfs/dbraw/zinc/83/59/12/1312835912.db2.gz OSJBFWIRKBNXEA-SNVBAGLBSA-N -1 3 332.213 2.888 20 10 EFCDHM CN1CCN(Cc2c([O-])cc(Br)cc2F)CC1(C)C ZINC001233030223 1312836304 /nfs/dbraw/zinc/83/63/04/1312836304.db2.gz QCRYWQIWEMTZFV-UHFFFAOYSA-N -1 3 331.229 2.820 20 10 EFCDHM O=C1N(c2ccccc2)CC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203664304 1291195120 /nfs/dbraw/zinc/19/51/20/1291195120.db2.gz XRJNCULGMYIYCM-UHFFFAOYSA-N -1 3 328.799 2.894 20 10 EFCDHM C[C@H](c1ccccc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093908193 1291239315 /nfs/dbraw/zinc/23/93/15/1291239315.db2.gz PJMNSDDWSWSOOY-GFCCVEGCSA-N -1 3 348.424 2.597 20 10 EFCDHM CC(=O)NC[C@@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000877675558 1291324439 /nfs/dbraw/zinc/32/44/39/1291324439.db2.gz TUEQMMYLQFQIQI-AWEZNQCLSA-N -1 3 341.249 2.645 20 10 EFCDHM CC(C)(C)OC(=O)N[C@H]1[C@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233076192 1312850067 /nfs/dbraw/zinc/85/00/67/1312850067.db2.gz KQKJVRAXLBMARE-GNXNZQSNSA-N -1 3 340.370 2.625 20 10 EFCDHM COc1cc([O-])c(CN2CC3(C2)CCCO3)cc1Br ZINC001233138394 1312864367 /nfs/dbraw/zinc/86/43/67/1312864367.db2.gz YYTVLZUWGQUWFD-UHFFFAOYSA-N -1 3 328.206 2.528 20 10 EFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](C)C2)c1 ZINC001233306543 1312899123 /nfs/dbraw/zinc/89/91/23/1312899123.db2.gz UVPIYPBJUUQUCZ-SECBINFHSA-N -1 3 328.206 2.783 20 10 EFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@H](C)C2)c1 ZINC001233306544 1312899296 /nfs/dbraw/zinc/89/92/96/1312899296.db2.gz UVPIYPBJUUQUCZ-VIFPVBQESA-N -1 3 328.206 2.783 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001233332445 1312904645 /nfs/dbraw/zinc/90/46/45/1312904645.db2.gz LMYAGULFTKTPKX-DGCLKSJQSA-N -1 3 343.267 2.898 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CCCN(Cc2ccncc2)CC1 ZINC001233332049 1312904765 /nfs/dbraw/zinc/90/47/65/1312904765.db2.gz WOSHNYTYKYTFBA-UHFFFAOYSA-N -1 3 333.382 2.773 20 10 EFCDHM CC1(C(=O)N2CCCC2)CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335247 1312906726 /nfs/dbraw/zinc/90/67/26/1312906726.db2.gz NLUTVAVKFNOIDF-UHFFFAOYSA-N -1 3 338.398 2.895 20 10 EFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190411372 1292168024 /nfs/dbraw/zinc/16/80/24/1292168024.db2.gz SZZCOSQTADRQLJ-UHFFFAOYSA-N -1 3 344.358 2.648 20 10 EFCDHM Cc1cc2n(n1)c(=O)cc(C)n2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418434 1312928192 /nfs/dbraw/zinc/92/81/92/1312928192.db2.gz GXSSWIDULBUMBQ-UHFFFAOYSA-N -1 3 337.301 2.886 20 10 EFCDHM CCOC(=O)[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCS1 ZINC001233419094 1312928899 /nfs/dbraw/zinc/92/88/99/1312928899.db2.gz JCWJSBFZFFXQQV-LBPRGKRZSA-N -1 3 349.374 2.892 20 10 EFCDHM CCOC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454185 1312934718 /nfs/dbraw/zinc/93/47/18/1312934718.db2.gz KEHGOBFRXQUWDC-UHFFFAOYSA-N -1 3 332.322 2.685 20 10 EFCDHM CCOC(=O)[C@]12C[C@H]1CCN2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452158 1312935428 /nfs/dbraw/zinc/93/54/28/1312935428.db2.gz MJEAVDIAOQTCDA-DOMZBBRYSA-N -1 3 329.318 2.939 20 10 EFCDHM Cc1ccc(CN2CC[C@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000881414861 1292881365 /nfs/dbraw/zinc/88/13/65/1292881365.db2.gz PFPIDDVUGUTMAO-AWEZNQCLSA-N -1 3 344.386 2.550 20 10 EFCDHM CC(C)(O)CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203584578 1312962850 /nfs/dbraw/zinc/96/28/50/1312962850.db2.gz CVSHMTUVRWKSQQ-UHFFFAOYSA-N -1 3 347.286 2.978 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CC(F)(F)CC[C@@H]1CO ZINC001203635873 1312977327 /nfs/dbraw/zinc/97/73/27/1312977327.db2.gz JQXQOLCODRNNMC-LLVKDONJSA-N -1 3 336.176 2.747 20 10 EFCDHM CC(C)(C)N1CCN(Cc2cc(Br)ccc2[O-])CC1=O ZINC001203645485 1312979606 /nfs/dbraw/zinc/97/96/06/1312979606.db2.gz KXXULIOANHKJQV-UHFFFAOYSA-N -1 3 341.249 2.597 20 10 EFCDHM CCOC(=O)c1cnc2n1CCN(Cc1cc(Cl)ccc1[O-])[C@H]2C ZINC001203664472 1312984181 /nfs/dbraw/zinc/98/41/81/1312984181.db2.gz GKKCHKHAFLMUPJ-NSHDSACASA-N -1 3 349.818 2.996 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccc(OC)c1[O-] ZINC001193528919 1293345706 /nfs/dbraw/zinc/34/57/06/1293345706.db2.gz PAJMJVWPZQDFAV-UHFFFAOYSA-N -1 3 329.400 2.524 20 10 EFCDHM CN(CCN(C)C(=O)c1cc(O)c([O-])c(Cl)c1)Cc1ccccc1 ZINC001193611410 1293366894 /nfs/dbraw/zinc/36/68/94/1293366894.db2.gz DZPKXHQXUJRBNA-UHFFFAOYSA-N -1 3 348.830 2.955 20 10 EFCDHM CCN(Cc1ccccc1)C(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000882933161 1293391264 /nfs/dbraw/zinc/39/12/64/1293391264.db2.gz YATHLRCYDHFVPL-UHFFFAOYSA-N -1 3 334.366 2.809 20 10 EFCDHM Cc1cncnc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001195368318 1293902715 /nfs/dbraw/zinc/90/27/15/1293902715.db2.gz ACTBVBUCIUCXMO-UHFFFAOYSA-N -1 3 328.759 2.622 20 10 EFCDHM CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC001195784080 1294033712 /nfs/dbraw/zinc/03/37/12/1294033712.db2.gz BQWCWNWLZJUDJY-UHFFFAOYSA-N -1 3 346.452 2.813 20 10 EFCDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000775717072 1294229864 /nfs/dbraw/zinc/22/98/64/1294229864.db2.gz QZHXWDSCVGQTAE-KGLIPLIRSA-N -1 3 349.855 2.972 20 10 EFCDHM [O-]c1ccc(Br)cc1CN[C@@H](CCO)C(F)(F)F ZINC000886370916 1294903070 /nfs/dbraw/zinc/90/30/70/1294903070.db2.gz AKYILVCIIPNFIZ-JTQLQIEISA-N -1 3 328.128 2.558 20 10 EFCDHM C[C@@H](NCc1c(Br)cnn1C)c1c([O-])cccc1F ZINC000886645202 1295086548 /nfs/dbraw/zinc/08/65/48/1295086548.db2.gz SVXVQZNLGCLAHG-MRVPVSSYSA-N -1 3 328.185 2.878 20 10 EFCDHM COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(Br)ccc1[O-] ZINC000775999286 1295641072 /nfs/dbraw/zinc/64/10/72/1295641072.db2.gz IVPVAGOFHDJWLQ-GWCFXTLKSA-N -1 3 342.233 2.928 20 10 EFCDHM CC[C@@H](COc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)OC ZINC001234753518 1313189308 /nfs/dbraw/zinc/18/93/08/1313189308.db2.gz OUSOOQDOIMJVKE-JTQLQIEISA-N -1 3 346.335 2.867 20 10 EFCDHM CCO[C@H](C)COc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234753881 1313189548 /nfs/dbraw/zinc/18/95/48/1313189548.db2.gz SBQXUPMIUUEQDS-SECBINFHSA-N -1 3 346.335 2.867 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@]1(C)O ZINC001235057753 1313233034 /nfs/dbraw/zinc/23/30/34/1313233034.db2.gz SFWZOSZUSNMHFC-OTYXRUKQSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](O)[C@@H](F)CC1 ZINC001235057810 1313233143 /nfs/dbraw/zinc/23/31/43/1313233143.db2.gz TYRZUXDEEFQDJR-JQWIXIFHSA-N -1 3 336.176 2.589 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCC[C@@H]1O ZINC001235057666 1313233254 /nfs/dbraw/zinc/23/32/54/1313233254.db2.gz QCNDZIKSLXBEBQ-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC(N2CCCC2)C1 ZINC001235302515 1313285747 /nfs/dbraw/zinc/28/57/47/1313285747.db2.gz RESJMNANMSGBSK-UHFFFAOYSA-N -1 3 329.213 2.574 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(C3CC3)n(C)n2)c1 ZINC000927109650 1296992128 /nfs/dbraw/zinc/99/21/28/1296992128.db2.gz UVSGESLCUKGQDP-NSHDSACASA-N -1 3 329.400 2.641 20 10 EFCDHM [O-]c1c(CN2CCn3cnc(CO)c3C2)cccc1-c1ccccc1 ZINC001235508319 1313339228 /nfs/dbraw/zinc/33/92/28/1313339228.db2.gz SWSJHZZJVGDYGK-UHFFFAOYSA-N -1 3 335.407 2.764 20 10 EFCDHM CC(=O)Nc1ccc2nc(NC(=O)c3cccc(O)c3[O-])sc2c1 ZINC000776325882 1297667061 /nfs/dbraw/zinc/66/70/61/1297667061.db2.gz TVLJCDTZKSMMTK-UHFFFAOYSA-N -1 3 343.364 2.918 20 10 EFCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)OCCO2 ZINC000776337778 1297773896 /nfs/dbraw/zinc/77/38/96/1297773896.db2.gz ATNLKXZHIOQJFN-ZDUSSCGKSA-N -1 3 329.352 2.750 20 10 EFCDHM COCCOC(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776341245 1297859338 /nfs/dbraw/zinc/85/93/38/1297859338.db2.gz FUYWFTWWBMHDKM-UHFFFAOYSA-N -1 3 346.339 2.545 20 10 EFCDHM CCN(Cc1cc(C)cc(Br)c1[O-])[C@@H](C)C(=O)OC ZINC001236669190 1313506732 /nfs/dbraw/zinc/50/67/32/1313506732.db2.gz HQDSMIIQIOVAQI-JTQLQIEISA-N -1 3 330.222 2.847 20 10 EFCDHM CC(=O)N(C)[C@H]1CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236668379 1313507051 /nfs/dbraw/zinc/50/70/51/1313507051.db2.gz ADSVNCRQOZWORG-ZDUSSCGKSA-N -1 3 341.249 2.516 20 10 EFCDHM CCOC(=O)C1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236801028 1313531273 /nfs/dbraw/zinc/53/12/73/1313531273.db2.gz BTVOAAXSPNUALK-UHFFFAOYSA-N -1 3 327.808 2.829 20 10 EFCDHM CCO[C@@H]1CN(Cc2ccc(OC)c(Cl)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001236801950 1313532510 /nfs/dbraw/zinc/53/25/10/1313532510.db2.gz ORYMCANTPCKUSV-MRRJBJDNSA-N -1 3 341.835 2.823 20 10 EFCDHM CCC(=O)N(C)C1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236810612 1313534028 /nfs/dbraw/zinc/53/40/28/1313534028.db2.gz VMZLRFVFOKQYOM-UHFFFAOYSA-N -1 3 340.851 2.887 20 10 EFCDHM COc1ccc(CN2CCC(NC(=O)C3CC3)CC2)c([O-])c1Cl ZINC001236812596 1313535426 /nfs/dbraw/zinc/53/54/26/1313535426.db2.gz ZTCUXOUJZGLYAO-UHFFFAOYSA-N -1 3 338.835 2.545 20 10 EFCDHM COCCCCN1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236817474 1313535590 /nfs/dbraw/zinc/53/55/90/1313535590.db2.gz DYTYNVUQHXGFTM-UHFFFAOYSA-N -1 3 342.867 2.598 20 10 EFCDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cc2ccccc2cc1[O-] ZINC001236842026 1313540647 /nfs/dbraw/zinc/54/06/47/1313540647.db2.gz RZZWJTNPVJCKOI-GOSISDBHSA-N -1 3 327.380 2.642 20 10 EFCDHM [O-]c1c(CN2CCNC[C@@H]2C(F)(F)F)cccc1C(F)(F)F ZINC001236983813 1313567059 /nfs/dbraw/zinc/56/70/59/1313567059.db2.gz WPOGINLSRCBRME-SNVBAGLBSA-N -1 3 328.256 2.747 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)[C@@H](F)C2)c(Br)c1 ZINC001237064849 1313579897 /nfs/dbraw/zinc/57/98/97/1313579897.db2.gz KHSKNSGGZREPEY-LBPRGKRZSA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)C[C@@H]2C)c(Br)c1 ZINC001237066727 1313581178 /nfs/dbraw/zinc/58/11/78/1313581178.db2.gz ZOUBSMCMHJUSBN-VIFPVBQESA-N -1 3 328.206 2.717 20 10 EFCDHM COc1cc([O-])c(CN2CCn3cccc3C2)c(Br)c1 ZINC001237074000 1313582830 /nfs/dbraw/zinc/58/28/30/1313582830.db2.gz YRCCIQMHILYVLS-UHFFFAOYSA-N -1 3 337.217 2.981 20 10 EFCDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@@H]21 ZINC001237083993 1313584167 /nfs/dbraw/zinc/58/41/67/1313584167.db2.gz GCSLDYCOOSZQEH-WOFXILAISA-N -1 3 330.211 2.940 20 10 EFCDHM O=C1NC2(CO1)CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237084135 1313584312 /nfs/dbraw/zinc/58/43/12/1313584312.db2.gz HQUOSTJXEWCCGU-UHFFFAOYSA-N -1 3 331.199 2.773 20 10 EFCDHM COc1ncnc2c1CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237122373 1313590174 /nfs/dbraw/zinc/59/01/74/1313590174.db2.gz UDPAAFVVSHCKPI-UHFFFAOYSA-N -1 3 337.782 2.584 20 10 EFCDHM Cc1cncnc1O[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237129101 1313591750 /nfs/dbraw/zinc/59/17/50/1313591750.db2.gz USRMZQLYPCKGPD-NSHDSACASA-N -1 3 337.782 2.936 20 10 EFCDHM COC(=O)CN(Cc1cccc(F)n1)Cc1cc(Cl)ccc1[O-] ZINC000851841892 1299429195 /nfs/dbraw/zinc/42/91/95/1299429195.db2.gz ZIJXOVQKAYQDII-UHFFFAOYSA-N -1 3 338.766 2.755 20 10 EFCDHM CCO[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001237618342 1313678300 /nfs/dbraw/zinc/67/83/00/1313678300.db2.gz ICXYHXJYKUOGHK-FMKPAKJESA-N -1 3 329.799 2.953 20 10 EFCDHM Cc1cncnc1O[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237624468 1313678822 /nfs/dbraw/zinc/67/88/22/1313678822.db2.gz UVVNBZWFLVYXQM-ZDUSSCGKSA-N -1 3 337.782 2.936 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1nnc2ccccc2c1[O-] ZINC000111593016 1300271865 /nfs/dbraw/zinc/27/18/65/1300271865.db2.gz GKVGSXLLLUCLMB-UHFFFAOYSA-N -1 3 337.379 2.681 20 10 EFCDHM CCOC(=O)CN(CC)Cc1cc(Br)c(C)cc1[O-] ZINC001237683063 1313690900 /nfs/dbraw/zinc/69/09/00/1313690900.db2.gz VXMYEKFDTDSINH-UHFFFAOYSA-N -1 3 330.222 2.848 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(CC(F)F)CC2)cc1Br ZINC001237682908 1313691192 /nfs/dbraw/zinc/69/11/92/1313691192.db2.gz UUGRHAODEAVNSZ-UHFFFAOYSA-N -1 3 349.219 2.846 20 10 EFCDHM Cc1cc([O-])c(CN2CCOCC(F)(F)C2)cc1Br ZINC001237676088 1313688852 /nfs/dbraw/zinc/68/88/52/1313688852.db2.gz DYVCUUANVLQYSF-UHFFFAOYSA-N -1 3 336.176 2.931 20 10 EFCDHM [O-]c1c(I)cccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237779912 1313704761 /nfs/dbraw/zinc/70/47/61/1313704761.db2.gz NECOPTYYYCSGAC-GARJFASQSA-N -1 3 347.171 2.929 20 10 EFCDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1C ZINC000776748048 1300613210 /nfs/dbraw/zinc/61/32/10/1300613210.db2.gz TXKBZHRWVBBXLD-UHFFFAOYSA-N -1 3 335.381 2.596 20 10 EFCDHM [O-]c1c(Cl)cc(F)cc1CN1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001237801487 1313709265 /nfs/dbraw/zinc/70/92/65/1313709265.db2.gz UNKOLKFGTOGPGE-STQMWFEESA-N -1 3 348.809 2.543 20 10 EFCDHM Cc1cncnc1O[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804262 1313709336 /nfs/dbraw/zinc/70/93/36/1313709336.db2.gz ZUZAQJAPDGQDQB-CYBMUJFWSA-N -1 3 337.782 2.936 20 10 EFCDHM O=C1CCCN1C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804630 1313709915 /nfs/dbraw/zinc/70/99/15/1313709915.db2.gz FLIQZCFAYSRVBM-UHFFFAOYSA-N -1 3 326.799 2.772 20 10 EFCDHM COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237805878 1313710079 /nfs/dbraw/zinc/71/00/79/1313710079.db2.gz OXKGPMOMEUOPIL-CWSCBRNRSA-N -1 3 327.783 2.958 20 10 EFCDHM O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000855391433 1300940165 /nfs/dbraw/zinc/94/01/65/1300940165.db2.gz PFWFKZLFJITQRQ-GFCCVEGCSA-N -1 3 333.306 2.718 20 10 EFCDHM CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001237938539 1313733519 /nfs/dbraw/zinc/73/35/19/1313733519.db2.gz KAEJVTKLGYSXMJ-INIZCTEOSA-N -1 3 326.799 2.772 20 10 EFCDHM [O-]c1cc(Cl)c(F)cc1CN1CCCN(c2ncccn2)CC1 ZINC001237938010 1313733646 /nfs/dbraw/zinc/73/36/46/1313733646.db2.gz WNXFDRKBZIOMTB-UHFFFAOYSA-N -1 3 336.798 2.687 20 10 EFCDHM O=C1OCCN1C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237948723 1313735569 /nfs/dbraw/zinc/73/55/69/1313735569.db2.gz HFCNTQMLDXYFIV-UHFFFAOYSA-N -1 3 328.771 2.601 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)CCC(C)C ZINC000796448314 1301642856 /nfs/dbraw/zinc/64/28/56/1301642856.db2.gz IKFXOKGSZXAQKG-OAHLLOKOSA-N -1 3 343.851 2.818 20 10 EFCDHM CC(=O)c1cc(F)cc(CNC(C)(C)C(=O)OC(C)(C)C)c1[O-] ZINC000859964515 1301655362 /nfs/dbraw/zinc/65/53/62/1301655362.db2.gz GVOKSEJGBFQHJZ-UHFFFAOYSA-N -1 3 325.380 2.944 20 10 EFCDHM CC(=O)N1CCN(Cc2c([O-])cccc2Br)C(C)(C)C1 ZINC000862303359 1302333466 /nfs/dbraw/zinc/33/34/66/1302333466.db2.gz PSVVOWMFBYPUSJ-UHFFFAOYSA-N -1 3 341.249 2.597 20 10 EFCDHM CCCSC[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864506644 1302954651 /nfs/dbraw/zinc/95/46/51/1302954651.db2.gz XKWOTUPNKBNEBP-ZDUSSCGKSA-N -1 3 332.416 2.717 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CNC[C@@H](n1cncn1)C(F)(F)F ZINC000865683375 1303364688 /nfs/dbraw/zinc/36/46/88/1303364688.db2.gz XNBPSNPPFWIPAX-SNVBAGLBSA-N -1 3 338.692 2.669 20 10 EFCDHM Cc1conc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000866763713 1303783555 /nfs/dbraw/zinc/78/35/55/1303783555.db2.gz HCONUKXBSRTQKY-CQSZACIVSA-N -1 3 349.818 2.736 20 10 EFCDHM COC(=O)[C@@]1(C)CCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250120961 1315175581 /nfs/dbraw/zinc/17/55/81/1315175581.db2.gz WLSFYKVGISVCDR-OAHLLOKOSA-N -1 3 342.233 2.991 20 10 EFCDHM CCO[C@H](C)COc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226386369 1311660302 /nfs/dbraw/zinc/66/03/02/1311660302.db2.gz ZICITLYHADZPPC-LLVKDONJSA-N -1 3 326.348 2.971 20 10 EFCDHM O=C([C@H]1CC12CN(Cc1c([O-])cccc1F)C2)N1CCCC12CC2 ZINC001277488898 1312438757 /nfs/dbraw/zinc/43/87/57/1312438757.db2.gz LKOSNQNYGDDFOK-CQSZACIVSA-N -1 3 330.403 2.508 20 10 EFCDHM Cc1ccc(C2(O)CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)cc1 ZINC001231446992 1312499580 /nfs/dbraw/zinc/49/95/80/1312499580.db2.gz NGWKFWQXFPMQNY-UHFFFAOYSA-N -1 3 341.407 2.882 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC001231452332 1312499851 /nfs/dbraw/zinc/49/98/51/1312499851.db2.gz LUPOVRDENRJIBL-MRXNPFEDSA-N -1 3 328.368 2.529 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC001231452332 1312499854 /nfs/dbraw/zinc/49/98/54/1312499854.db2.gz LUPOVRDENRJIBL-MRXNPFEDSA-N -1 3 328.368 2.529 20 10 EFCDHM CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452187 1312500101 /nfs/dbraw/zinc/50/01/01/1312500101.db2.gz FXDIRKIDIUHUEN-CQSZACIVSA-N -1 3 335.400 2.644 20 10 EFCDHM CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452187 1312500104 /nfs/dbraw/zinc/50/01/04/1312500104.db2.gz FXDIRKIDIUHUEN-CQSZACIVSA-N -1 3 335.400 2.644 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c([O-])c1 ZINC001231452668 1312500165 /nfs/dbraw/zinc/50/01/65/1312500165.db2.gz RBJXGWJBGKLGDN-UHFFFAOYSA-N -1 3 328.368 2.529 20 10 EFCDHM CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452186 1312500219 /nfs/dbraw/zinc/50/02/19/1312500219.db2.gz FXDIRKIDIUHUEN-AWEZNQCLSA-N -1 3 335.400 2.644 20 10 EFCDHM CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452186 1312500220 /nfs/dbraw/zinc/50/02/20/1312500220.db2.gz FXDIRKIDIUHUEN-AWEZNQCLSA-N -1 3 335.400 2.644 20 10 EFCDHM Cc1cccc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231454252 1312500843 /nfs/dbraw/zinc/50/08/43/1312500843.db2.gz SYGZTHILXAHBAQ-UHFFFAOYSA-N -1 3 342.395 2.837 20 10 EFCDHM CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1C ZINC001231454026 1312501326 /nfs/dbraw/zinc/50/13/26/1312501326.db2.gz SVDBMXSXJDJJFT-QWHCGFSZSA-N -1 3 335.400 2.502 20 10 EFCDHM CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1C ZINC001231454026 1312501329 /nfs/dbraw/zinc/50/13/29/1312501329.db2.gz SVDBMXSXJDJJFT-QWHCGFSZSA-N -1 3 335.400 2.502 20 10 EFCDHM COc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452919 1312501361 /nfs/dbraw/zinc/50/13/61/1312501361.db2.gz WZKJOSAXVXCGNY-HNNXBMFYSA-N -1 3 343.379 2.752 20 10 EFCDHM COc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452919 1312501362 /nfs/dbraw/zinc/50/13/62/1312501362.db2.gz WZKJOSAXVXCGNY-HNNXBMFYSA-N -1 3 343.379 2.752 20 10 EFCDHM CC(C)(C)OC(=O)O[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231559457 1312525258 /nfs/dbraw/zinc/52/52/58/1312525258.db2.gz FEYXBNQEWMLSGX-ZDUSSCGKSA-N -1 3 337.372 2.616 20 10 EFCDHM CCOC(=O)[C@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])CCC1=O ZINC001231869347 1312578322 /nfs/dbraw/zinc/57/83/22/1312578322.db2.gz MDGHEVGPSMFTNC-ZDUSSCGKSA-N -1 3 339.819 2.698 20 10 EFCDHM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCS1 ZINC001231870416 1312578639 /nfs/dbraw/zinc/57/86/39/1312578639.db2.gz ZHDVRPNAFBQILX-AWEZNQCLSA-N -1 3 329.849 2.835 20 10 EFCDHM O=S1(=O)CC[C@@H](CF)C12CN(Cc1ccc3ccccc3c1[O-])C2 ZINC001231880247 1312579547 /nfs/dbraw/zinc/57/95/47/1312579547.db2.gz AJWDDHRGZNWWAU-HNNXBMFYSA-N -1 3 349.427 2.504 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)c1cccnc1 ZINC001231913204 1312587503 /nfs/dbraw/zinc/58/75/03/1312587503.db2.gz IBBHOFDKUAMDFR-OAHLLOKOSA-N -1 3 345.830 2.835 20 10 EFCDHM COc1cc([O-])c(CN2CCN(c3ccccc3)C(=O)C2)cc1Cl ZINC001232263798 1312661068 /nfs/dbraw/zinc/66/10/68/1312661068.db2.gz AXALNTRJNGKYOI-UHFFFAOYSA-N -1 3 346.814 2.903 20 10 EFCDHM [O-]c1cc(O)c(CN2CCN(c3ncccc3F)CC2)cc1Cl ZINC001232263542 1312661408 /nfs/dbraw/zinc/66/14/08/1312661408.db2.gz AQNPTNCOBLFOAN-UHFFFAOYSA-N -1 3 337.782 2.608 20 10 EFCDHM Cc1ccnc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)c1 ZINC001232266989 1312661745 /nfs/dbraw/zinc/66/17/45/1312661745.db2.gz HBLYHEZWWIQAIX-UHFFFAOYSA-N -1 3 333.819 2.777 20 10 EFCDHM [O-]c1cc(O)c(CN2CCc3cnc(C4CC4)nc3C2)cc1Cl ZINC001232266269 1312661889 /nfs/dbraw/zinc/66/18/89/1312661889.db2.gz SZEIPWJBMSELRK-UHFFFAOYSA-N -1 3 331.803 2.977 20 10 EFCDHM COc1cc([O-])c(CN2CCN(CC(F)(F)F)CC2)cc1Cl ZINC001232269742 1312663151 /nfs/dbraw/zinc/66/31/51/1312663151.db2.gz JIVBMZZHPBZGRS-UHFFFAOYSA-N -1 3 338.757 2.734 20 10 EFCDHM COc1cnccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001211263694 1314465648 /nfs/dbraw/zinc/46/56/48/1314465648.db2.gz ZLFVIXPFPFFFEI-UHFFFAOYSA-N -1 3 346.342 2.737 20 10 EFCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(N3CCOCC3)c2)no1 ZINC001215146038 1314788655 /nfs/dbraw/zinc/78/86/55/1314788655.db2.gz XYXRJFUDKMAZLM-UHFFFAOYSA-N -1 3 339.351 2.651 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(-n3ccnc3)cc2)no1 ZINC001215325160 1314815734 /nfs/dbraw/zinc/81/57/34/1314815734.db2.gz DWSNLKOXAMROQD-UHFFFAOYSA-N -1 3 336.307 2.706 20 10 EFCDHM CC(=O)c1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(F)c1 ZINC001215327814 1314816481 /nfs/dbraw/zinc/81/64/81/1314816481.db2.gz VDNQZUIIVZGCGL-UHFFFAOYSA-N -1 3 330.271 2.862 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2CCS(=O)(=O)CC2)cc1Cl ZINC001248881533 1314991908 /nfs/dbraw/zinc/99/19/08/1314991908.db2.gz YXNQQCRCEYICBY-UHFFFAOYSA-N -1 3 331.865 2.574 20 10 EFCDHM CCS(=O)(=O)c1ccc([O-])c(Nc2ccncc2C(F)(F)F)c1 ZINC001249587617 1315103509 /nfs/dbraw/zinc/10/35/09/1315103509.db2.gz XIQHMBPMEZKSIM-UHFFFAOYSA-N -1 3 346.330 2.765 20 10 EFCDHM Cc1cc(CN(CCO)CC(F)(F)F)c([O-])cc1Br ZINC001250133993 1315177411 /nfs/dbraw/zinc/17/74/11/1315177411.db2.gz UHNIFGKYRUIBJK-UHFFFAOYSA-N -1 3 342.155 2.820 20 10 EFCDHM COc1cc([O-])c(CN2CC3(CCN3Cc3ccc[nH]3)C2)c(Cl)c1 ZINC001276805499 1315318195 /nfs/dbraw/zinc/31/81/95/1315318195.db2.gz GRPFERGECJRBLU-UHFFFAOYSA-N -1 3 347.846 2.843 20 10 EFCDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)OC)c2)cc1 ZINC001255211556 1315792543 /nfs/dbraw/zinc/79/25/43/1315792543.db2.gz WEMKPWRTVQCJIG-UHFFFAOYSA-N -1 3 349.408 2.932 20 10 EFCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1OC ZINC001257097226 1316033203 /nfs/dbraw/zinc/03/32/03/1316033203.db2.gz BZDLYPAWIKWWKZ-UHFFFAOYSA-N -1 3 337.397 2.827 20 10 EFCDHM O=S(=O)([N-]Cc1cccc(O)c1O)c1c(Cl)cccc1Cl ZINC001257780670 1316092385 /nfs/dbraw/zinc/09/23/85/1316092385.db2.gz WDLORDFLTNZREB-UHFFFAOYSA-N -1 3 348.207 2.883 20 10 EFCDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(O)c1 ZINC001259043868 1316201935 /nfs/dbraw/zinc/20/19/35/1316201935.db2.gz HBRLOFLHVYKXDF-UHFFFAOYSA-N -1 3 345.342 2.905 20 10 EFCDHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)cc1C ZINC000904048758 1324862156 /nfs/dbraw/zinc/86/21/56/1324862156.db2.gz UGQFQBHOFAKBKP-QGZVFWFLSA-N -1 3 331.416 2.741 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(CCC(N)=O)cc2)c1 ZINC001321037785 1329334362 /nfs/dbraw/zinc/33/43/62/1329334362.db2.gz QQMIPFSGQDEAFR-LBPRGKRZSA-N -1 3 342.395 2.770 20 10 EFCDHM CCOc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cc1OC ZINC001324919184 1329659318 /nfs/dbraw/zinc/65/93/18/1329659318.db2.gz FWMWTTAYLXWJNI-UHFFFAOYSA-N -1 3 331.368 2.777 20 10 EFCDHM C[C@@H]1CN(c2ccc(CNc3cc(=O)[n-]cn3)cc2F)C[C@@H](C)O1 ZINC001333642013 1331186089 /nfs/dbraw/zinc/18/60/89/1331186089.db2.gz VUEQTHNGJMPMSF-VXGBXAGGSA-N -1 3 332.379 2.547 20 10 EFCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1N1CCCC1=O ZINC001339521178 1331887595 /nfs/dbraw/zinc/88/75/95/1331887595.db2.gz ZHVFOTLVWQYUAM-UHFFFAOYSA-N -1 3 326.352 2.785 20 10 EFCDHM CC1(C)C(=O)N[C@@H]1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000848920472 1334986854 /nfs/dbraw/zinc/98/68/54/1334986854.db2.gz HHKBTYNPFPGENJ-OAHLLOKOSA-N -1 3 340.826 2.921 20 10 EFCDHM C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617952 1427246947 /nfs/dbraw/zinc/24/69/47/1427246947.db2.gz LWQOHNFEZXXSLS-LBPRGKRZSA-N -1 3 340.406 2.923 20 10 EFCDHM C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824617952 1427246952 /nfs/dbraw/zinc/24/69/52/1427246952.db2.gz LWQOHNFEZXXSLS-LBPRGKRZSA-N -1 3 340.406 2.923 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccc(O)cc3)CC2)c1[O-] ZINC000177226681 717948968 /nfs/dbraw/zinc/94/89/68/717948968.db2.gz MXELWFMWCGXJAP-UHFFFAOYSA-N -1 3 344.386 2.762 20 10 EFCDHM COC(=O)CN(Cc1ccc(C)cn1)Cc1cc(Cl)ccc1[O-] ZINC000121233511 714321386 /nfs/dbraw/zinc/32/13/86/714321386.db2.gz LMMCIGUIHZGKAH-UHFFFAOYSA-N -1 3 334.803 2.924 20 10 EFCDHM O=C(C1CCN(Cc2cc(F)cc(F)c2[O-])CC1)N1CCCCC1 ZINC000893902628 720146966 /nfs/dbraw/zinc/14/69/66/720146966.db2.gz JRHZPHBVQABXQL-UHFFFAOYSA-N -1 3 338.398 2.895 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(CCO)CC1 ZINC000893921234 720161804 /nfs/dbraw/zinc/16/18/04/720161804.db2.gz IQCWWMKVMVGSHS-UHFFFAOYSA-N -1 3 332.213 2.888 20 10 EFCDHM CC(C)N(C)C(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893961428 720175103 /nfs/dbraw/zinc/17/51/03/720175103.db2.gz GOVZZNMRESTLSG-UHFFFAOYSA-N -1 3 326.387 2.749 20 10 EFCDHM CC(C)C(=O)NC[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893983515 720204145 /nfs/dbraw/zinc/20/41/45/720204145.db2.gz CRSPKNNFCHZYDT-GFCCVEGCSA-N -1 3 326.387 2.655 20 10 EFCDHM Cc1nc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)oc1C ZINC000093056033 720837446 /nfs/dbraw/zinc/83/74/46/720837446.db2.gz GUWLFMFZUCJEAH-UHFFFAOYSA-N -1 3 335.835 2.968 20 10 EFCDHM Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000193102362 720870947 /nfs/dbraw/zinc/87/09/47/720870947.db2.gz CHCQEZKCGULWKE-AWEZNQCLSA-N -1 3 326.396 2.805 20 10 EFCDHM CCN(CC)c1ccc(CNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000917601780 728764552 /nfs/dbraw/zinc/76/45/52/728764552.db2.gz AFVKDTDWESKZER-RGEXLXHISA-N -1 3 349.434 2.934 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000894748824 722833760 /nfs/dbraw/zinc/83/37/60/722833760.db2.gz XFTZEAUPBFQHIB-KOLCDFICSA-N -1 3 325.277 2.663 20 10 EFCDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894740156 722834319 /nfs/dbraw/zinc/83/43/19/722834319.db2.gz PPXLWDHZRAJUBV-ZDUSSCGKSA-N -1 3 328.359 2.771 20 10 EFCDHM CCN(CC)c1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000918111579 728836549 /nfs/dbraw/zinc/83/65/49/728836549.db2.gz PXOQOLRVRXKBNI-UHFFFAOYSA-N -1 3 342.395 2.897 20 10 EFCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000174728602 725792580 /nfs/dbraw/zinc/79/25/80/725792580.db2.gz KJHNYXKGFABGRP-UHFFFAOYSA-N -1 3 346.408 2.776 20 10 EFCDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000729278353 726219554 /nfs/dbraw/zinc/21/95/54/726219554.db2.gz RINYJGBZDVVPPQ-JTQLQIEISA-N -1 3 344.367 2.556 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000729278354 726219565 /nfs/dbraw/zinc/21/95/65/726219565.db2.gz RINYJGBZDVVPPQ-SNVBAGLBSA-N -1 3 344.367 2.556 20 10 EFCDHM CCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000182002183 727888571 /nfs/dbraw/zinc/88/85/71/727888571.db2.gz KRBYMPZSWKRDKM-UHFFFAOYSA-N -1 3 328.368 2.798 20 10 EFCDHM C[C@H]1CN=C(N2CCN(Cc3c([O-])cccc3Cl)CC2)S1 ZINC000130956152 728027978 /nfs/dbraw/zinc/02/79/78/728027978.db2.gz GBKATOAGDBGZEU-NSHDSACASA-N -1 3 325.865 2.655 20 10 EFCDHM C[C@H](NCc1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000158019697 728274489 /nfs/dbraw/zinc/27/44/89/728274489.db2.gz DKVOPDQBICWXNI-VIFPVBQESA-N -1 3 330.222 2.975 20 10 EFCDHM Cc1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c([O-])c1O ZINC000155122184 729105331 /nfs/dbraw/zinc/10/53/31/729105331.db2.gz KQBLERBCKBNQEU-UHFFFAOYSA-N -1 3 330.315 2.682 20 10 EFCDHM COC(=O)N1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000921052078 729256489 /nfs/dbraw/zinc/25/64/89/729256489.db2.gz XWMBRZZTNNFWLA-UHFFFAOYSA-N -1 3 344.411 2.901 20 10 EFCDHM CC(C)(C)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000324399636 971115956 /nfs/dbraw/zinc/11/59/56/971115956.db2.gz ARTQEWFXIVSETB-FNORWQNLSA-N -1 3 333.388 2.613 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+]C[C@@H](C(=O)[O-])C(C)C)c1[O-] ZINC000848640571 955774339 /nfs/dbraw/zinc/77/43/39/955774339.db2.gz SAGOQOXEUFLAJN-GFCCVEGCSA-N -1 3 330.222 2.910 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000859808160 979638459 /nfs/dbraw/zinc/63/84/59/979638459.db2.gz NMTXJVMRCBRTPV-NWDGAFQWSA-N -1 3 328.206 2.806 20 10 EFCDHM CN(C)c1ccc(/C=C/CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900073687 980245434 /nfs/dbraw/zinc/24/54/34/980245434.db2.gz KTGLGTLZCIIXPQ-LLCTXKFZSA-N -1 3 340.427 2.785 20 10 EFCDHM CCCC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C(=O)[O-] ZINC001595638161 981941139 /nfs/dbraw/zinc/94/11/39/981941139.db2.gz IAVHDPOINODXCC-NSHDSACASA-N -1 3 346.221 2.896 20 10 EFCDHM CCOc1ccc(C[N@H+](CCc2ccccc2)CC(=O)[O-])c([O-])c1 ZINC001597102279 986726813 /nfs/dbraw/zinc/72/68/13/986726813.db2.gz RROMOZMHPMCICO-UHFFFAOYSA-N -1 3 329.396 2.920 20 10 EFCDHM CCOc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)[O-])c([O-])c1 ZINC001597102279 986726823 /nfs/dbraw/zinc/72/68/23/986726823.db2.gz RROMOZMHPMCICO-UHFFFAOYSA-N -1 3 329.396 2.920 20 10 EFCDHM COc1ccc(N2CCC(NCc3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001599586628 993622523 /nfs/dbraw/zinc/62/25/23/993622523.db2.gz UGKHITBHVWEODS-UHFFFAOYSA-N -1 3 347.440 2.609 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593230166 994359819 /nfs/dbraw/zinc/35/98/19/994359819.db2.gz BNQXQGMBIMWVSY-WCQYABFASA-N -1 3 345.374 2.554 20 10 EFCDHM C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234256 994398147 /nfs/dbraw/zinc/39/81/47/994398147.db2.gz WUJOYAVRHJKKMR-YGRLFVJLSA-N -1 3 331.343 2.884 20 10 EFCDHM C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247216 994461916 /nfs/dbraw/zinc/46/19/16/994461916.db2.gz QIDUZTVLRHPDLD-BJOHPYRUSA-N -1 3 337.322 2.753 20 10 EFCDHM C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593249249 994477569 /nfs/dbraw/zinc/47/75/69/994477569.db2.gz MSRSUNFPWNMNKH-QKMWGZLOSA-N -1 3 341.407 2.907 20 10 EFCDHM C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593249263 994477573 /nfs/dbraw/zinc/47/75/73/994477573.db2.gz MVYQSYVIUIMREX-JTQLQIEISA-N -1 3 329.343 2.681 20 10 EFCDHM C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272576 994612165 /nfs/dbraw/zinc/61/21/65/994612165.db2.gz AFCFXMOOOULBAN-GFCCVEGCSA-N -1 3 343.379 2.755 20 10 EFCDHM C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)[O-] ZINC001593710307 996208776 /nfs/dbraw/zinc/20/87/76/996208776.db2.gz KXDMPONSJCLSKM-AUUYWEPGSA-N -1 3 329.396 2.791 20 10 EFCDHM C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)[O-] ZINC001593710307 996208780 /nfs/dbraw/zinc/20/87/80/996208780.db2.gz KXDMPONSJCLSKM-AUUYWEPGSA-N -1 3 329.396 2.791 20 10 EFCDHM COc1cc(Br)cc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)c1[O-] ZINC001599346971 998024991 /nfs/dbraw/zinc/02/49/91/998024991.db2.gz WUSPDFHENLHBPI-GFCCVEGCSA-N -1 3 346.221 2.752 20 10 EFCDHM N[C@H](Cc1cc2ccccc2o1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001580134080 1090785982 /nfs/dbraw/zinc/78/59/82/1090785982.db2.gz HNMNGXNXPKDLPO-OAHLLOKOSA-N -1 3 344.798 2.978 20 10 EFCDHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1O ZINC001580308631 1090856963 /nfs/dbraw/zinc/85/69/63/1090856963.db2.gz BSZPFHKENWJIOG-SECBINFHSA-N -1 3 343.774 2.717 20 10 EFCDHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1O ZINC001580308631 1090856968 /nfs/dbraw/zinc/85/69/68/1090856968.db2.gz BSZPFHKENWJIOG-SECBINFHSA-N -1 3 343.774 2.717 20 10 EFCDHM Nc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC001580451763 1090904295 /nfs/dbraw/zinc/90/42/95/1090904295.db2.gz ZWTGWVSGKSCESH-MRXNPFEDSA-N -1 3 329.375 2.990 20 10 EFCDHM C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951727 1093191910 /nfs/dbraw/zinc/19/19/10/1093191910.db2.gz FLZMWJYRQNBDGA-XZJROXQQSA-N -1 3 343.431 2.571 20 10 EFCDHM C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956444 1093193619 /nfs/dbraw/zinc/19/36/19/1093193619.db2.gz OZPAGISPTAIVSM-CHWSQXEVSA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464599 1093435114 /nfs/dbraw/zinc/43/51/14/1093435114.db2.gz DAAKTBNQYDVMBX-CQSZACIVSA-N -1 3 344.806 2.862 20 10 EFCDHM CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465590 1093436783 /nfs/dbraw/zinc/43/67/83/1093436783.db2.gz JLPLSLYVQBUCJP-WFASDCNBSA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@H]([NH2+]CCCC1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466251 1093437223 /nfs/dbraw/zinc/43/72/23/1093437223.db2.gz KBFNYBPOXNMCDP-INIZCTEOSA-N -1 3 345.447 2.820 20 10 EFCDHM CC[C@H]([NH2+]CCC(C)(C)COC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466966 1093438910 /nfs/dbraw/zinc/43/89/10/1093438910.db2.gz NFZMBBQSYPWHSQ-AWEZNQCLSA-N -1 3 333.436 2.676 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467195 1093438966 /nfs/dbraw/zinc/43/89/66/1093438966.db2.gz QWROFVLRLNZXIT-GYSYKLTISA-N -1 3 333.461 2.897 20 10 EFCDHM CC[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469423 1093442486 /nfs/dbraw/zinc/44/24/86/1093442486.db2.gz YWYBUKIXEITPLP-DOMZBBRYSA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590472297 1093444088 /nfs/dbraw/zinc/44/40/88/1093444088.db2.gz RXRONTTWRKHKGA-OUAUKWLOSA-N -1 3 327.310 2.564 20 10 EFCDHM CN(C)c1cc(F)c(CNc2cc(F)cc(-c3nnn[n-]3)c2)cc1F ZINC001591028526 1093653430 /nfs/dbraw/zinc/65/34/30/1093653430.db2.gz AGHVFUTUWJISGP-UHFFFAOYSA-N -1 3 348.332 2.962 20 10 EFCDHM CN(C)c1cc(F)c(CNc2cc(F)cc(-c3nn[n-]n3)c2)cc1F ZINC001591028526 1093653434 /nfs/dbraw/zinc/65/34/34/1093653434.db2.gz AGHVFUTUWJISGP-UHFFFAOYSA-N -1 3 348.332 2.962 20 10 EFCDHM COC(=O)c1cnc(S[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC001591305474 1093686657 /nfs/dbraw/zinc/68/66/57/1093686657.db2.gz MFFQKQGDMAXOKT-MRVPVSSYSA-N -1 3 347.425 2.963 20 10 EFCDHM COC(=O)c1cnc(S[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC001591305474 1093686662 /nfs/dbraw/zinc/68/66/62/1093686662.db2.gz MFFQKQGDMAXOKT-MRVPVSSYSA-N -1 3 347.425 2.963 20 10 EFCDHM COc1ccc(O)c([C@H](C)Nc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001591618139 1093800191 /nfs/dbraw/zinc/80/01/91/1093800191.db2.gz DYJWPRLMESJMLH-VIFPVBQESA-N -1 3 329.335 2.893 20 10 EFCDHM COc1ccc(O)c([C@H](C)Nc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001591618139 1093800197 /nfs/dbraw/zinc/80/01/97/1093800197.db2.gz DYJWPRLMESJMLH-VIFPVBQESA-N -1 3 329.335 2.893 20 10 EFCDHM C[C@H](Nc1nc2ncccc2cc1-c1nnn[n-]1)c1ccccc1O ZINC001591770370 1093852001 /nfs/dbraw/zinc/85/20/01/1093852001.db2.gz WHTKVFGQIAJSAF-JTQLQIEISA-N -1 3 333.355 2.689 20 10 EFCDHM C[C@H](Nc1nc2ncccc2cc1-c1nn[n-]n1)c1ccccc1O ZINC001591770370 1093852003 /nfs/dbraw/zinc/85/20/03/1093852003.db2.gz WHTKVFGQIAJSAF-JTQLQIEISA-N -1 3 333.355 2.689 20 10 EFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1C1CCC1 ZINC001593376311 1094301630 /nfs/dbraw/zinc/30/16/30/1094301630.db2.gz HUXDJNDJBXPIOE-WQLSENKSSA-N -1 3 343.437 2.620 20 10 EFCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1C1CCC1 ZINC001593376311 1094301636 /nfs/dbraw/zinc/30/16/36/1094301636.db2.gz HUXDJNDJBXPIOE-WQLSENKSSA-N -1 3 343.437 2.620 20 10 EFCDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cc(Cl)ccc1O ZINC001593474279 1094318197 /nfs/dbraw/zinc/31/81/97/1094318197.db2.gz AZKHNYHJMUSZSM-UHFFFAOYSA-N -1 3 346.734 2.746 20 10 EFCDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cc(Cl)ccc1O ZINC001593474279 1094318205 /nfs/dbraw/zinc/31/82/05/1094318205.db2.gz AZKHNYHJMUSZSM-UHFFFAOYSA-N -1 3 346.734 2.746 20 10 EFCDHM Oc1ccccc1CNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001593540432 1094352049 /nfs/dbraw/zinc/35/20/49/1094352049.db2.gz VHFWQEZBXIIOJH-UHFFFAOYSA-N -1 3 346.188 2.947 20 10 EFCDHM Oc1ccccc1CNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001593540432 1094352057 /nfs/dbraw/zinc/35/20/57/1094352057.db2.gz VHFWQEZBXIIOJH-UHFFFAOYSA-N -1 3 346.188 2.947 20 10 EFCDHM S=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1Cl ZINC001593542519 1094354295 /nfs/dbraw/zinc/35/42/95/1094354295.db2.gz SJYWDFGANLCRBT-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM S=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1Cl ZINC001593542519 1094354302 /nfs/dbraw/zinc/35/43/02/1094354302.db2.gz SJYWDFGANLCRBT-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM O=C([O-])C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001601708321 1095856841 /nfs/dbraw/zinc/85/68/41/1095856841.db2.gz GVQIZVUTOTXONE-UHFFFAOYSA-N -1 3 327.380 2.926 20 10 EFCDHM O=C([O-])C[C@H]1COCCN1Cc1cc(-c2ccccc2)ccc1O ZINC001601963031 1095996533 /nfs/dbraw/zinc/99/65/33/1095996533.db2.gz FBYHTSDNJIWMSC-KRWDZBQOSA-N -1 3 327.380 2.735 20 10 EFCDHM O=C([O-])C[C@@H]1COCCN1Cc1cc(-c2ccccc2)ccc1O ZINC001601963032 1095996790 /nfs/dbraw/zinc/99/67/90/1095996790.db2.gz FBYHTSDNJIWMSC-QGZVFWFLSA-N -1 3 327.380 2.735 20 10 EFCDHM O=C([O-])c1ccc(CNCc2c(O)cccc2Br)o1 ZINC001602347195 1096195110 /nfs/dbraw/zinc/19/51/10/1096195110.db2.gz GMYTTYMACHHHAA-UHFFFAOYSA-N -1 3 326.146 2.736 20 10 EFCDHM Brc1cnc(Sc2nccs2)cc1-c1nnn[n-]1 ZINC001602681134 1096349303 /nfs/dbraw/zinc/34/93/03/1096349303.db2.gz YUTGCOLVYFEKGU-UHFFFAOYSA-N -1 3 341.219 2.632 20 10 EFCDHM Brc1cnc(Sc2nccs2)cc1-c1nn[n-]n1 ZINC001602681134 1096349308 /nfs/dbraw/zinc/34/93/08/1096349308.db2.gz YUTGCOLVYFEKGU-UHFFFAOYSA-N -1 3 341.219 2.632 20 10 EFCDHM CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001603070426 1096431439 /nfs/dbraw/zinc/43/14/39/1096431439.db2.gz AEVHIWMODRZIGK-NSHDSACASA-N -1 3 328.368 2.900 20 10 EFCDHM CC[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054336 1096712983 /nfs/dbraw/zinc/71/29/83/1096712983.db2.gz HZHOEEJDGUHOGA-WWGRRREGSA-N -1 3 345.447 2.818 20 10 EFCDHM C[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001604328937 1096814397 /nfs/dbraw/zinc/81/43/97/1096814397.db2.gz ICKXISQWQMHYKT-ZDUSSCGKSA-N -1 3 341.411 2.740 20 10 EFCDHM C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338994 1096818200 /nfs/dbraw/zinc/81/82/00/1096818200.db2.gz TUUVBRKUOGLDCT-LBPRGKRZSA-N -1 3 334.416 2.580 20 10 EFCDHM C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339178 1096819368 /nfs/dbraw/zinc/81/93/68/1096819368.db2.gz UGSZRWCPDVFYAF-NOZJJQNGSA-N -1 3 334.338 2.624 20 10 EFCDHM C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340384 1096820159 /nfs/dbraw/zinc/82/01/59/1096820159.db2.gz BYZWECKHFAVEBP-GFCCVEGCSA-N -1 3 346.452 2.861 20 10 EFCDHM CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604538578 1096898051 /nfs/dbraw/zinc/89/80/51/1096898051.db2.gz KBKFDBARQAOTEZ-RYUDHWBXSA-N -1 3 338.415 2.942 20 10 EFCDHM COCc1cc(-c2nn[n-]n2)ccc1NCc1ccc(N(C)C)cc1 ZINC001605131030 1097029385 /nfs/dbraw/zinc/02/93/85/1097029385.db2.gz MKGCMHBFDNHBRB-UHFFFAOYSA-N -1 3 338.415 2.691 20 10 EFCDHM COc1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])ccc1-c1nnn[n-]1 ZINC001605218769 1097056265 /nfs/dbraw/zinc/05/62/65/1097056265.db2.gz OUETXXXLUZJSMJ-SNVBAGLBSA-N -1 3 343.362 2.571 20 10 EFCDHM COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605313519 1097091503 /nfs/dbraw/zinc/09/15/03/1097091503.db2.gz XILQQMJCJAFVJR-NWDGAFQWSA-N -1 3 339.399 2.993 20 10 EFCDHM COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605336488 1097101262 /nfs/dbraw/zinc/10/12/62/1097101262.db2.gz QCMNBWZKDYDVPB-NWDGAFQWSA-N -1 3 339.399 2.993 20 10 EFCDHM Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605668996 1097188234 /nfs/dbraw/zinc/18/82/34/1097188234.db2.gz QBAYZGQBAYTOHR-JTQLQIEISA-N -1 3 344.806 2.780 20 10 EFCDHM CCOc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c([O-])c1 ZINC001605691552 1097196105 /nfs/dbraw/zinc/19/61/05/1097196105.db2.gz FLJLFVLSPBPAJN-SFHVURJKSA-N -1 3 327.380 2.975 20 10 EFCDHM CCOc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c([O-])c1 ZINC001605691552 1097196107 /nfs/dbraw/zinc/19/61/07/1097196107.db2.gz FLJLFVLSPBPAJN-SFHVURJKSA-N -1 3 327.380 2.975 20 10 EFCDHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1O ZINC001605704260 1097199435 /nfs/dbraw/zinc/19/94/35/1097199435.db2.gz FPLIXAXUMAQAQZ-OAHLLOKOSA-N -1 3 337.322 2.985 20 10 EFCDHM Cc1cc(NCc2ccc(N3CC=CC3)cc2)ncc1-c1nnn[n-]1 ZINC001605740656 1097211784 /nfs/dbraw/zinc/21/17/84/1097211784.db2.gz UOUDTNXTILDBNF-UHFFFAOYSA-N -1 3 333.399 2.558 20 10 EFCDHM Cc1cc(NCc2ccc(N3CC=CC3)cc2)ncc1-c1nn[n-]n1 ZINC001605740656 1097211788 /nfs/dbraw/zinc/21/17/88/1097211788.db2.gz UOUDTNXTILDBNF-UHFFFAOYSA-N -1 3 333.399 2.558 20 10 EFCDHM Cc1ccsc1CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605968873 1097288898 /nfs/dbraw/zinc/28/88/98/1097288898.db2.gz UEWGDQBJULQHFP-LLVKDONJSA-N -1 3 329.429 2.836 20 10 EFCDHM S=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Cl)c1 ZINC001607112208 1097518175 /nfs/dbraw/zinc/51/81/75/1097518175.db2.gz JTYDKRHNIANBNX-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM S=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cl)c1 ZINC001607112208 1097518187 /nfs/dbraw/zinc/51/81/87/1097518187.db2.gz JTYDKRHNIANBNX-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM Cc1cc(O)c(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cc1C(C)C ZINC001607700353 1097703159 /nfs/dbraw/zinc/70/31/59/1097703159.db2.gz XFTLETYWECWNLK-SFHVURJKSA-N -1 3 332.400 2.629 20 10 EFCDHM CN(C)c1ccc(CNc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC001609270640 1098234440 /nfs/dbraw/zinc/23/44/40/1098234440.db2.gz MSYKGZHKFZALHR-UHFFFAOYSA-N -1 3 330.342 2.823 20 10 EFCDHM CN(C)c1ccc(CNc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC001609270640 1098234444 /nfs/dbraw/zinc/23/44/44/1098234444.db2.gz MSYKGZHKFZALHR-UHFFFAOYSA-N -1 3 330.342 2.823 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609772303 1098452707 /nfs/dbraw/zinc/45/27/07/1098452707.db2.gz IZYKJLYEMRZZNX-CZUORRHYSA-N -1 3 329.396 2.907 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774885 1098453535 /nfs/dbraw/zinc/45/35/35/1098453535.db2.gz WUBTVXYPUHGYEG-RHSMWYFYSA-N -1 3 342.439 2.914 20 10 EFCDHM C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779977 1098455084 /nfs/dbraw/zinc/45/50/84/1098455084.db2.gz QEBQMAYFZAYLHO-AWEZNQCLSA-N -1 3 340.423 2.799 20 10 EFCDHM C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779171 1098455293 /nfs/dbraw/zinc/45/52/93/1098455293.db2.gz AVXDGTOJWMHDQF-GFCCVEGCSA-N -1 3 338.367 2.522 20 10 EFCDHM C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781668 1098456366 /nfs/dbraw/zinc/45/63/66/1098456366.db2.gz XCSXQLUTHVEPQS-CQSZACIVSA-N -1 3 328.412 2.873 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC001610207596 1098571268 /nfs/dbraw/zinc/57/12/68/1098571268.db2.gz IWCWOHHNLSSHOE-DGCLKSJQSA-N -1 3 343.379 2.627 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC001610207596 1098571276 /nfs/dbraw/zinc/57/12/76/1098571276.db2.gz IWCWOHHNLSSHOE-DGCLKSJQSA-N -1 3 343.379 2.627 20 10 EFCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC001610432514 1098673553 /nfs/dbraw/zinc/67/35/53/1098673553.db2.gz NKSFDUGPXSPKEW-BXKDBHETSA-N -1 3 328.206 2.616 20 10 EFCDHM Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC001610432514 1098673548 /nfs/dbraw/zinc/67/35/48/1098673548.db2.gz NKSFDUGPXSPKEW-BXKDBHETSA-N -1 3 328.206 2.616 20 10 EFCDHM O=C([O-])C[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC001610758056 1098869385 /nfs/dbraw/zinc/86/93/85/1098869385.db2.gz HDWIQHIAPTYGDA-LJQANCHMSA-N -1 3 327.380 2.783 20 10 EFCDHM O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H](C3CC3)C2)c1O ZINC001610819100 1098910290 /nfs/dbraw/zinc/91/02/90/1098910290.db2.gz UJCUXCMSQRHVJQ-QGZVFWFLSA-N -1 3 327.380 2.854 20 10 EFCDHM [O-]c1cc(Cl)ccc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001140464869 1102471058 /nfs/dbraw/zinc/47/10/58/1102471058.db2.gz DFIUQRCLBWHZRY-UHFFFAOYSA-N -1 3 339.226 2.811 20 10 EFCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[C@@]1(O)C(F)(F)F ZINC001142508977 1106041127 /nfs/dbraw/zinc/04/11/27/1106041127.db2.gz RKORSPDHWYYOPJ-SDBXPKJASA-N -1 3 325.277 2.806 20 10 EFCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001142509182 1106042033 /nfs/dbraw/zinc/04/20/33/1106042033.db2.gz ZQYYFUROJUHURL-STQMWFEESA-N -1 3 343.267 2.898 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC2CCN1CC2 ZINC001142634935 1109361933 /nfs/dbraw/zinc/36/19/33/1109361933.db2.gz CWOSTIHESSLCNE-HNNXBMFYSA-N -1 3 345.830 2.694 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC[C@@]1(C)O ZINC001235057318 1111606407 /nfs/dbraw/zinc/60/64/07/1111606407.db2.gz MBYGNBFKVYRCFM-LKFCYVNXSA-N -1 3 332.213 2.887 20 10 EFCDHM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cc(F)cc1F ZINC001272617461 1111750839 /nfs/dbraw/zinc/75/08/39/1111750839.db2.gz YOUDIHJZPHPLBN-HZPDHXFCSA-N -1 3 338.398 2.892 20 10 EFCDHM [O-]c1c(CNc2ncnc3nc[nH]c32)cc(Cl)c2cccnc12 ZINC001168524442 1112209450 /nfs/dbraw/zinc/20/94/50/1112209450.db2.gz PWOOQRMJNRMZPF-UHFFFAOYSA-N -1 3 326.747 2.824 20 10 EFCDHM CC(=O)Nc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001168527468 1119876099 /nfs/dbraw/zinc/87/60/99/1119876099.db2.gz JFGKGDDOKISCBA-UHFFFAOYSA-N -1 3 343.774 2.954 20 10 EFCDHM CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000177686859 529717930 /nfs/dbraw/zinc/71/79/30/529717930.db2.gz PKFNYDCXTFVBRT-AWEZNQCLSA-N -1 3 331.368 2.775 20 10 EFCDHM CN(C)c1ccc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000163761900 529779864 /nfs/dbraw/zinc/77/98/64/529779864.db2.gz DTBMVYGFYVUHCZ-UHFFFAOYSA-N -1 3 331.391 2.939 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000191819995 240007492 /nfs/dbraw/zinc/00/74/92/240007492.db2.gz HPNRSJDOXUDJOS-HZMBPMFUSA-N -1 3 339.819 2.879 20 10 EFCDHM CCN(CC)C(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000192985098 240077878 /nfs/dbraw/zinc/07/78/78/240077878.db2.gz GXZTWAGRWOCNOD-UHFFFAOYSA-N -1 3 342.395 2.510 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000193165372 240088534 /nfs/dbraw/zinc/08/85/34/240088534.db2.gz YMGGKEFOHBOROM-OAHLLOKOSA-N -1 3 333.771 2.965 20 10 EFCDHM C[C@@H]1CCCN(C(=O)CN(Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000255830829 240311465 /nfs/dbraw/zinc/31/14/65/240311465.db2.gz DGCBYPQYMGJHLO-SJLPKXTDSA-N -1 3 346.471 2.632 20 10 EFCDHM COC(=O)[C@H](NCc1cc2c(cc1[O-])OCO2)c1ccc(F)c(C)c1 ZINC000275108730 240745137 /nfs/dbraw/zinc/74/51/37/240745137.db2.gz FRAVMBITURTQSY-QGZVFWFLSA-N -1 3 347.342 2.572 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000291638666 241026422 /nfs/dbraw/zinc/02/64/22/241026422.db2.gz DPVFJZUYJHIXJJ-FQEVSTJZSA-N -1 3 343.398 2.870 20 10 EFCDHM CCN(C)C(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000296245413 241078846 /nfs/dbraw/zinc/07/88/46/241078846.db2.gz LGKXYIMEDJEHBV-HNNXBMFYSA-N -1 3 340.851 2.841 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000366565811 242357408 /nfs/dbraw/zinc/35/74/08/242357408.db2.gz GIJUMGSGQDJWHZ-KPZWWZAWSA-N -1 3 337.391 2.504 20 10 EFCDHM COc1ccc2c(c1)CCN(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000364753275 242306339 /nfs/dbraw/zinc/30/63/39/242306339.db2.gz FFYJGEGOMKUKRS-UHFFFAOYSA-N -1 3 327.380 2.656 20 10 EFCDHM O=C(NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)C1CC1 ZINC000365268517 242320002 /nfs/dbraw/zinc/32/00/02/242320002.db2.gz YOGXXHNPZWZGAI-UHFFFAOYSA-N -1 3 326.799 2.675 20 10 EFCDHM CO[C@@H](C)c1noc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000177675553 533361025 /nfs/dbraw/zinc/36/10/25/533361025.db2.gz CYLOCZSPMBNFMV-ZFWWWQNUSA-N -1 3 347.415 2.664 20 10 EFCDHM COC(=O)CN(Cc1cscn1)Cc1cc(Cl)ccc1[O-] ZINC000178859589 533500753 /nfs/dbraw/zinc/50/07/53/533500753.db2.gz HOSWFZDIRFUUJQ-UHFFFAOYSA-N -1 3 326.805 2.677 20 10 EFCDHM Cc1ccc(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c([O-])c1O ZINC000182319238 533593419 /nfs/dbraw/zinc/59/34/19/533593419.db2.gz GWARPGYOLKOYOH-LBPRGKRZSA-N -1 3 331.372 2.794 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c([O-])c1O ZINC000181838514 533616667 /nfs/dbraw/zinc/61/66/67/533616667.db2.gz WEWRUOPMWJUATN-UHFFFAOYSA-N -1 3 340.379 2.895 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000177669675 278786480 /nfs/dbraw/zinc/78/64/80/278786480.db2.gz IYUYNJPUEJZAHG-HNNXBMFYSA-N -1 3 331.343 2.759 20 10 EFCDHM Cn1ncc(Cl)c1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000189540590 303048898 /nfs/dbraw/zinc/04/88/98/303048898.db2.gz ACQNXJMNEWCYTJ-CQSZACIVSA-N -1 3 335.835 2.960 20 10 EFCDHM CCCCN(CC(N)=O)Cc1cc(Br)cc(C)c1[O-] ZINC000124551261 473261372 /nfs/dbraw/zinc/26/13/72/473261372.db2.gz NBYZCZZNLBWUGV-UHFFFAOYSA-N -1 3 329.238 2.551 20 10 EFCDHM C[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(F)cc1[O-] ZINC000185303651 473390566 /nfs/dbraw/zinc/39/05/66/473390566.db2.gz COHVTCRXBKIYOP-GFCCVEGCSA-N -1 3 332.375 2.708 20 10 EFCDHM COc1ccc(N2CCCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000055877454 472250986 /nfs/dbraw/zinc/25/09/86/472250986.db2.gz JKBPYTXSSVLMRT-UHFFFAOYSA-N -1 3 326.396 2.753 20 10 EFCDHM CCN(CC(=O)N(C)C1CC1)Cc1cc(Br)ccc1[O-] ZINC000076118593 472276963 /nfs/dbraw/zinc/27/69/63/472276963.db2.gz ANBCCHPYIZQLRW-UHFFFAOYSA-N -1 3 341.249 2.597 20 10 EFCDHM Cc1noc(C)c1CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000118987454 472517899 /nfs/dbraw/zinc/51/78/99/472517899.db2.gz LKVGLSQBWJUQQW-UHFFFAOYSA-N -1 3 335.835 2.968 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(C3OCCO3)CC2)c1[O-] ZINC000130068532 472582374 /nfs/dbraw/zinc/58/23/74/472582374.db2.gz RMCNSKUUBLLULY-UHFFFAOYSA-N -1 3 342.779 2.539 20 10 EFCDHM Cc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1[O-] ZINC000078549064 472732344 /nfs/dbraw/zinc/73/23/44/472732344.db2.gz UQQITFOOWFKVMO-UHFFFAOYSA-N -1 3 340.423 2.809 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C[C@H](O)C(F)(F)F ZINC000121399564 472846121 /nfs/dbraw/zinc/84/61/21/472846121.db2.gz DSTWITQNJTYJNL-NSHDSACASA-N -1 3 342.155 2.900 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1 ZINC000158029530 472884634 /nfs/dbraw/zinc/88/46/34/472884634.db2.gz FEKPPPJOGRKVIH-MRXNPFEDSA-N -1 3 345.830 2.835 20 10 EFCDHM CO[C@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134261129 472889977 /nfs/dbraw/zinc/88/99/77/472889977.db2.gz YTJBWMMSKIOZRN-IUODEOHRSA-N -1 3 340.851 2.551 20 10 EFCDHM CCCOc1ccc(CN2CCN(Cc3cc(C)no3)CC2)c([O-])c1 ZINC000122388618 473009178 /nfs/dbraw/zinc/00/91/78/473009178.db2.gz DRQBORTYNHGOHV-UHFFFAOYSA-N -1 3 345.443 2.795 20 10 EFCDHM COc1ccccc1CNC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109773022 473119358 /nfs/dbraw/zinc/11/93/58/473119358.db2.gz AZKAEUOUKJJQPD-AWEZNQCLSA-N -1 3 328.412 2.538 20 10 EFCDHM CCOc1cccc(CNC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000109773203 473120226 /nfs/dbraw/zinc/12/02/26/473120226.db2.gz QAZOGIOJXNJRTL-UHFFFAOYSA-N -1 3 328.412 2.539 20 10 EFCDHM COC(=O)CN(Cc1cnc(C)s1)Cc1cc(Cl)ccc1[O-] ZINC000109779984 473120329 /nfs/dbraw/zinc/12/03/29/473120329.db2.gz LYRIVZWYXXZDFQ-UHFFFAOYSA-N -1 3 340.832 2.986 20 10 EFCDHM CCS(=O)(=O)CCN(C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093643340 473128499 /nfs/dbraw/zinc/12/84/99/473128499.db2.gz IJDZDEKWWRFKQQ-UHFFFAOYSA-N -1 3 333.453 2.926 20 10 EFCDHM Cn1cnnc1[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000093809520 473146532 /nfs/dbraw/zinc/14/65/32/473146532.db2.gz IJOOMMHRQOOZQK-LBPRGKRZSA-N -1 3 337.221 2.620 20 10 EFCDHM C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)Cc1ccccc1[O-] ZINC000111235635 473197693 /nfs/dbraw/zinc/19/76/93/473197693.db2.gz VJPQWCXKQHAQJE-WMLDXEAASA-N -1 3 340.423 2.853 20 10 EFCDHM COc1ccc(Cl)cc1CNC(=O)CN(C)Cc1ccccc1[O-] ZINC000111235989 473197737 /nfs/dbraw/zinc/19/77/37/473197737.db2.gz OZIHZXLEQUGJDH-UHFFFAOYSA-N -1 3 348.830 2.802 20 10 EFCDHM Cc1cccc(OCCNC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000111236083 473198041 /nfs/dbraw/zinc/19/80/41/473198041.db2.gz DIVHZMHYLHCOCE-MRXNPFEDSA-N -1 3 342.439 2.716 20 10 EFCDHM CCOCc1ccccc1CNC(=O)CN(C)Cc1ccccc1[O-] ZINC000111235205 473198513 /nfs/dbraw/zinc/19/85/13/473198513.db2.gz KIGUSFOHFLEKEC-UHFFFAOYSA-N -1 3 342.439 2.677 20 10 EFCDHM Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)c([O-])c1O ZINC000185384145 473412323 /nfs/dbraw/zinc/41/23/23/473412323.db2.gz UXOKVKZYJOMFAL-ZDUSSCGKSA-N -1 3 346.452 2.987 20 10 EFCDHM CCC[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000185420698 473422218 /nfs/dbraw/zinc/42/22/18/473422218.db2.gz YHEYDBVXQFCRCI-ZDUSSCGKSA-N -1 3 340.445 2.559 20 10 EFCDHM CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(Br)cc2[O-])C1=O ZINC000186048663 473579200 /nfs/dbraw/zinc/57/92/00/473579200.db2.gz BIZQMAMQBGWMTQ-GXFFZTMASA-N -1 3 341.249 2.815 20 10 EFCDHM COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccc(F)cc2[O-])C1=O ZINC000186102093 473591471 /nfs/dbraw/zinc/59/14/71/473591471.db2.gz BWJNIEYGDXZMPQ-WFASDCNBSA-N -1 3 344.386 2.996 20 10 EFCDHM C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[O-] ZINC000186144238 473600205 /nfs/dbraw/zinc/60/02/05/473600205.db2.gz JXOPQAHEZNLPEZ-CABZTGNLSA-N -1 3 334.313 2.735 20 10 EFCDHM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000179553041 473693961 /nfs/dbraw/zinc/69/39/61/473693961.db2.gz MQQRBJCZVDSSPT-UHFFFAOYSA-N -1 3 342.395 2.624 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000245718948 473740300 /nfs/dbraw/zinc/74/03/00/473740300.db2.gz HOJBIRAAGCJUIJ-IINYFYTJSA-N -1 3 326.780 2.955 20 10 EFCDHM CC[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1[O-] ZINC000287781719 473758544 /nfs/dbraw/zinc/75/85/44/473758544.db2.gz SDSJFMFYNKOOJS-GJZGRUSLSA-N -1 3 348.834 2.625 20 10 EFCDHM COc1ccc2c(c1)[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC000274221401 473765653 /nfs/dbraw/zinc/76/56/53/473765653.db2.gz BRSUKZGEGJASTR-HNNXBMFYSA-N -1 3 330.340 2.922 20 10 EFCDHM O=C(c1ccccc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000186875841 473773559 /nfs/dbraw/zinc/77/35/59/473773559.db2.gz GGNAINJPPHKMOZ-UHFFFAOYSA-N -1 3 325.364 2.833 20 10 EFCDHM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc(O)c1[O-] ZINC000186974240 473791812 /nfs/dbraw/zinc/79/18/12/473791812.db2.gz RAPIIUGYFHWWKM-UHFFFAOYSA-N -1 3 344.386 2.631 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000180138766 473808624 /nfs/dbraw/zinc/80/86/24/473808624.db2.gz WKNOVKORNLCJTA-UHFFFAOYSA-N -1 3 344.415 2.858 20 10 EFCDHM C[C@@H]1CN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CCO1 ZINC000187111141 473820641 /nfs/dbraw/zinc/82/06/41/473820641.db2.gz OMPIWHBORCVGMI-GFCCVEGCSA-N -1 3 328.368 2.575 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000180263855 473841959 /nfs/dbraw/zinc/84/19/59/473841959.db2.gz YYCSJMBBHDOEFJ-GDBMZVCRSA-N -1 3 337.416 2.917 20 10 EFCDHM Cc1nsc(N2CCCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000180505284 473893941 /nfs/dbraw/zinc/89/39/41/473893941.db2.gz ZCSUVIRECSGQJJ-UHFFFAOYSA-N -1 3 338.864 2.918 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000181413686 474034820 /nfs/dbraw/zinc/03/48/20/474034820.db2.gz POBOREVJJJOESL-UHFFFAOYSA-N -1 3 328.387 2.798 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@@H]1C=CCC1 ZINC000181587948 474050554 /nfs/dbraw/zinc/05/05/54/474050554.db2.gz WBVUGUVNOAVMQQ-GFCCVEGCSA-N -1 3 337.803 2.904 20 10 EFCDHM CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000188328383 474061316 /nfs/dbraw/zinc/06/13/16/474061316.db2.gz FZCWVSUFMOXDMW-AWEZNQCLSA-N -1 3 348.443 2.647 20 10 EFCDHM Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c([O-])c1O ZINC000181776818 474063541 /nfs/dbraw/zinc/06/35/41/474063541.db2.gz FVVMSTFOXLWUHR-CQSZACIVSA-N -1 3 330.384 2.566 20 10 EFCDHM CCOc1nnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000264628516 474066734 /nfs/dbraw/zinc/06/67/34/474066734.db2.gz UIKHYQZXILYLDO-CQSZACIVSA-N -1 3 349.456 2.824 20 10 EFCDHM CC(=O)NCC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000219487216 474148290 /nfs/dbraw/zinc/14/82/90/474148290.db2.gz BARAFLVELUXDPC-UHFFFAOYSA-N -1 3 341.249 2.503 20 10 EFCDHM CC(=O)N1CCN(c2cccc(NCc3cc(F)ccc3[O-])c2)CC1 ZINC000188763731 474188354 /nfs/dbraw/zinc/18/83/54/474188354.db2.gz VEAQCDHSYSMOPZ-UHFFFAOYSA-N -1 3 343.402 2.812 20 10 EFCDHM COc1c([O-])c(CN2C[C@@H](OC)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000282783281 474193047 /nfs/dbraw/zinc/19/30/47/474193047.db2.gz QMCKWHCNCISFAM-AWEZNQCLSA-N -1 3 344.367 2.887 20 10 EFCDHM CS(=O)(=O)[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000282823993 474207694 /nfs/dbraw/zinc/20/76/94/474207694.db2.gz UIJRNQVOSRRHAR-KRWDZBQOSA-N -1 3 331.437 2.678 20 10 EFCDHM CC(C)(C)n1ncnc1CNCc1cc(Br)ccc1[O-] ZINC000282833414 474211137 /nfs/dbraw/zinc/21/11/37/474211137.db2.gz ZLERTRWCBYRZNN-UHFFFAOYSA-N -1 3 339.237 2.791 20 10 EFCDHM Cc1ccc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)c([O-])c1O ZINC000182606038 474215812 /nfs/dbraw/zinc/21/58/12/474215812.db2.gz SQDXZRZWOXUSMS-HIFRSBDPSA-N -1 3 329.396 2.691 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)c([O-])c1O ZINC000182608218 474216630 /nfs/dbraw/zinc/21/66/30/474216630.db2.gz CVBJBSVNTZJRIE-LJQANCHMSA-N -1 3 327.380 2.794 20 10 EFCDHM Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c([O-])c1O ZINC000182980159 474301053 /nfs/dbraw/zinc/30/10/53/474301053.db2.gz OUKCKRRIQWHGOD-KRWDZBQOSA-N -1 3 341.407 2.820 20 10 EFCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([O-])c1O ZINC000182990919 474302985 /nfs/dbraw/zinc/30/29/85/474302985.db2.gz YBBRZPKJKKRYDI-PBHICJAKSA-N -1 3 349.333 2.944 20 10 EFCDHM CCCN(Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1[O-] ZINC000183026835 474308181 /nfs/dbraw/zinc/30/81/81/474308181.db2.gz LBNHCETWETUNRZ-UHFFFAOYSA-N -1 3 337.427 2.839 20 10 EFCDHM COC(=O)c1ccc(CNCc2cc(Cl)cc(OC)c2[O-])o1 ZINC000289530661 474310953 /nfs/dbraw/zinc/31/09/53/474310953.db2.gz VZSUDOYNBWBGSC-UHFFFAOYSA-N -1 3 325.748 2.724 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@@H](C)[S@]1=O ZINC000289706568 474386476 /nfs/dbraw/zinc/38/64/76/474386476.db2.gz OUOCVIZEYYASLO-ZFXASYOHSA-N -1 3 331.865 2.786 20 10 EFCDHM CC[C@H](OC)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000266521087 474434164 /nfs/dbraw/zinc/43/41/64/474434164.db2.gz JZCBOIWSUPJQPV-ZDUSSCGKSA-N -1 3 330.222 2.928 20 10 EFCDHM CCCOc1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)c([O-])c1 ZINC000190156211 474557505 /nfs/dbraw/zinc/55/75/05/474557505.db2.gz PDCDNXKQXMHAGP-HZPDHXFCSA-N -1 3 347.415 2.834 20 10 EFCDHM [O-]c1ccc(F)cc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000290272598 474564498 /nfs/dbraw/zinc/56/44/98/474564498.db2.gz YCUGRSVNSVKHIQ-CYBMUJFWSA-N -1 3 332.375 2.631 20 10 EFCDHM COc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccc1[O-] ZINC000276962030 474575074 /nfs/dbraw/zinc/57/50/74/474575074.db2.gz SBJHMIATPYCZKL-UHFFFAOYSA-N -1 3 327.380 2.915 20 10 EFCDHM CCOC(=O)N[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184679518 474582495 /nfs/dbraw/zinc/58/24/95/474582495.db2.gz VVAQDBIKVQWHMW-ZDUSSCGKSA-N -1 3 342.823 2.765 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1[O-] ZINC000271741490 474587775 /nfs/dbraw/zinc/58/77/75/474587775.db2.gz ABKQKYMURKMTFV-QQKBFRNYSA-N -1 3 346.290 2.804 20 10 EFCDHM Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000271757442 474589079 /nfs/dbraw/zinc/58/90/79/474589079.db2.gz DACIWBRWEVNMQH-BBRMVZONSA-N -1 3 335.835 2.725 20 10 EFCDHM O=C1CN(Cc2cccc(NCc3c([O-])cccc3Cl)c2)CCN1 ZINC000291094348 474594031 /nfs/dbraw/zinc/59/40/31/474594031.db2.gz QDIFLCZTZJBXKG-UHFFFAOYSA-N -1 3 345.830 2.590 20 10 EFCDHM COc1c([O-])c(CN2CCN(C)c3ccccc3C2)ccc1[N+](=O)[O-] ZINC000278204945 474603079 /nfs/dbraw/zinc/60/30/79/474603079.db2.gz JLMNWSQAISVACH-UHFFFAOYSA-N -1 3 343.383 2.761 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278229455 474603793 /nfs/dbraw/zinc/60/37/93/474603793.db2.gz MNAOYRJVHDRKNY-CQSZACIVSA-N -1 3 331.372 2.985 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H](C)CSC ZINC000272312840 474607409 /nfs/dbraw/zinc/60/74/09/474607409.db2.gz YXEGTSMWNKYOBU-JTQLQIEISA-N -1 3 345.848 2.546 20 10 EFCDHM COc1c([O-])c(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560923 474619009 /nfs/dbraw/zinc/61/90/09/474619009.db2.gz NBCMQXAYGWMUBN-CJNGLKHVSA-N -1 3 336.388 2.698 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCSC1 ZINC000278368978 474623812 /nfs/dbraw/zinc/62/38/12/474623812.db2.gz BSVXKSMWPXPRLH-LLVKDONJSA-N -1 3 329.849 2.774 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cncn1C ZINC000278366674 474623996 /nfs/dbraw/zinc/62/39/96/474623996.db2.gz MBPXNRINKYVWMD-UHFFFAOYSA-N -1 3 338.205 2.551 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCSC1 ZINC000278370783 474625053 /nfs/dbraw/zinc/62/50/53/474625053.db2.gz BSVXKSMWPXPRLH-NSHDSACASA-N -1 3 329.849 2.774 20 10 EFCDHM COc1c([O-])c(CN2CCOCc3ccccc32)ccc1[N+](=O)[O-] ZINC000291691954 474650324 /nfs/dbraw/zinc/65/03/24/474650324.db2.gz YEYMFYMLZUGVLG-UHFFFAOYSA-N -1 3 330.340 2.846 20 10 EFCDHM COc1c([O-])c(CNc2ccn(CC(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000278474521 474654142 /nfs/dbraw/zinc/65/41/42/474654142.db2.gz IHZJPAYYAYIKPG-UHFFFAOYSA-N -1 3 346.265 2.680 20 10 EFCDHM COc1cc(F)cc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278498244 474663755 /nfs/dbraw/zinc/66/37/55/474663755.db2.gz NFMMEXNGHPFMKB-UHFFFAOYSA-N -1 3 336.319 2.747 20 10 EFCDHM Cc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c([O-])c1O ZINC000267634655 474677146 /nfs/dbraw/zinc/67/71/46/474677146.db2.gz XZCGKJWKKQSMHX-GOSISDBHSA-N -1 3 341.407 2.992 20 10 EFCDHM COc1cc(C)ccc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278545711 474693699 /nfs/dbraw/zinc/69/36/99/474693699.db2.gz YEXLIFGFXGZZAH-UHFFFAOYSA-N -1 3 332.356 2.916 20 10 EFCDHM C[C@H](NCC(=O)N(C)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273372613 474864497 /nfs/dbraw/zinc/86/44/97/474864497.db2.gz GKWVVGYZCLJIHN-ZDUSSCGKSA-N -1 3 343.383 2.610 20 10 EFCDHM C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273419072 474889123 /nfs/dbraw/zinc/88/91/23/474889123.db2.gz RTDSCCCQYQFIOP-LBPRGKRZSA-N -1 3 343.383 2.853 20 10 EFCDHM CCNC(=O)c1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273434977 474896106 /nfs/dbraw/zinc/89/61/06/474896106.db2.gz WRTXNXUVZCAYPR-GFCCVEGCSA-N -1 3 343.383 2.901 20 10 EFCDHM C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000273447708 474902068 /nfs/dbraw/zinc/90/20/68/474902068.db2.gz FIGXDRDUIGAHAS-CXAGYDPISA-N -1 3 328.387 2.983 20 10 EFCDHM C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000273447709 474902119 /nfs/dbraw/zinc/90/21/19/474902119.db2.gz FIGXDRDUIGAHAS-DYVFJYSZSA-N -1 3 328.387 2.983 20 10 EFCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273535962 474950125 /nfs/dbraw/zinc/95/01/25/474950125.db2.gz XIWPLEADNDYYSR-PELKAZGASA-N -1 3 330.215 2.817 20 10 EFCDHM CCCOc1ccc(CN2CCO[C@@H](c3nnc(CC)o3)C2)c([O-])c1 ZINC000279089144 474959678 /nfs/dbraw/zinc/95/96/78/474959678.db2.gz ACWIQMBYDAUJIF-MRXNPFEDSA-N -1 3 347.415 2.700 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000279625274 474983199 /nfs/dbraw/zinc/98/31/99/474983199.db2.gz ABFHENVOVGAUJU-IAQYHMDHSA-N -1 3 342.233 2.535 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000279625279 474983930 /nfs/dbraw/zinc/98/39/30/474983930.db2.gz ABFHENVOVGAUJU-NHYWBVRUSA-N -1 3 342.233 2.535 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccccc1 ZINC000279753243 474989874 /nfs/dbraw/zinc/98/98/74/474989874.db2.gz QLEVULNVGHPTNB-QGZVFWFLSA-N -1 3 349.814 2.754 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CCSC1 ZINC000280011013 475004858 /nfs/dbraw/zinc/00/48/58/475004858.db2.gz GQSUKKBPTBYHDF-JTQLQIEISA-N -1 3 340.832 2.563 20 10 EFCDHM CC(C)n1ncnc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000280135385 475012035 /nfs/dbraw/zinc/01/20/35/475012035.db2.gz WFPLIWBQHKLZDN-MRXNPFEDSA-N -1 3 330.432 2.746 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000280329992 475019670 /nfs/dbraw/zinc/01/96/70/475019670.db2.gz HPHHCDXIDOAXGS-QGZVFWFLSA-N -1 3 344.386 2.782 20 10 EFCDHM COc1coc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1=O ZINC000268514578 475025426 /nfs/dbraw/zinc/02/54/26/475025426.db2.gz DFAFSJMIJCHLGS-HNNXBMFYSA-N -1 3 345.395 2.535 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000280468042 475027571 /nfs/dbraw/zinc/02/75/71/475027571.db2.gz MWCOMKGABZNXCW-NVGCLXPQSA-N -1 3 341.835 2.823 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000280468061 475027995 /nfs/dbraw/zinc/02/79/95/475027995.db2.gz MWCOMKGABZNXCW-XWCIJXRUSA-N -1 3 341.835 2.823 20 10 EFCDHM CCOC1CC(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])C1 ZINC000285604028 475032948 /nfs/dbraw/zinc/03/29/48/475032948.db2.gz LQYHEJJZHUEBLQ-UHFFFAOYSA-N -1 3 341.835 2.836 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000286740370 475077808 /nfs/dbraw/zinc/07/78/08/475077808.db2.gz YDPOBTHTLYSKOS-BXUZGUMPSA-N -1 3 349.324 2.727 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000286740380 475078047 /nfs/dbraw/zinc/07/80/47/475078047.db2.gz YDPOBTHTLYSKOS-RISCZKNCSA-N -1 3 349.324 2.727 20 10 EFCDHM COC[C@]1(C(=O)OC)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000295071691 475102075 /nfs/dbraw/zinc/10/20/75/475102075.db2.gz PIOWJQJADBTFDC-HNNXBMFYSA-N -1 3 348.226 2.711 20 10 EFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337542663 475112074 /nfs/dbraw/zinc/11/20/74/475112074.db2.gz AMYKVSYWNRQYJL-UHFFFAOYSA-N -1 3 337.358 2.827 20 10 EFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337542663 475112079 /nfs/dbraw/zinc/11/20/79/475112079.db2.gz AMYKVSYWNRQYJL-UHFFFAOYSA-N -1 3 337.358 2.827 20 10 EFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337542663 475112085 /nfs/dbraw/zinc/11/20/85/475112085.db2.gz AMYKVSYWNRQYJL-UHFFFAOYSA-N -1 3 337.358 2.827 20 10 EFCDHM Cc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)c([O-])c1O ZINC000292631166 475126237 /nfs/dbraw/zinc/12/62/37/475126237.db2.gz JVLUSCMBKNXXOV-CQSZACIVSA-N -1 3 331.368 2.821 20 10 EFCDHM C[C@H](NCc1nnc2n1CCOC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000373055395 476374022 /nfs/dbraw/zinc/37/40/22/476374022.db2.gz XWHUBUPKYNDYRD-QMMMGPOBSA-N -1 3 343.214 2.672 20 10 EFCDHM Cc1ccc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)c([O-])c1O ZINC000374867333 476562737 /nfs/dbraw/zinc/56/27/37/476562737.db2.gz CJPMKGPQHIGHDM-HNNXBMFYSA-N -1 3 346.814 2.846 20 10 EFCDHM COc1cc(Cl)cc(CN2CCO[C@H](COC(C)C)C2)c1[O-] ZINC000372115972 477646319 /nfs/dbraw/zinc/64/63/19/477646319.db2.gz HVFIKYPHSZMEAK-AWEZNQCLSA-N -1 3 329.824 2.680 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@]1(CO)COc2ccccc2C1 ZINC000527769279 478510669 /nfs/dbraw/zinc/51/06/69/478510669.db2.gz LBSRMEFIWDOQRG-KRWDZBQOSA-N -1 3 337.778 2.641 20 10 EFCDHM C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186081954 500929169 /nfs/dbraw/zinc/92/91/69/500929169.db2.gz WCACEHRCBFYRKM-SMDDNHRTSA-N -1 3 348.834 2.625 20 10 EFCDHM CCCOCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175849206 528585076 /nfs/dbraw/zinc/58/50/76/528585076.db2.gz KKGNOESKXANYMC-UHFFFAOYSA-N -1 3 330.222 2.930 20 10 EFCDHM CCCOc1ccc(CN2CCN(C(=O)c3ccco3)CC2)c([O-])c1 ZINC000158490681 528663278 /nfs/dbraw/zinc/66/32/78/528663278.db2.gz NGQQFTUOWOWWEZ-UHFFFAOYSA-N -1 3 344.411 2.732 20 10 EFCDHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000177677554 528898612 /nfs/dbraw/zinc/89/86/12/528898612.db2.gz OOXBQMDWJUBMOG-KGLIPLIRSA-N -1 3 348.443 2.563 20 10 EFCDHM COc1ccc(N2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1F ZINC000192617940 536700982 /nfs/dbraw/zinc/70/09/82/536700982.db2.gz BYZCVTXKLCAOOB-ZDUSSCGKSA-N -1 3 346.406 2.522 20 10 EFCDHM COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])C1CCCCC1 ZINC000755129506 575547634 /nfs/dbraw/zinc/54/76/34/575547634.db2.gz FBRIFFGLBXKIIM-INIZCTEOSA-N -1 3 337.391 2.945 20 10 EFCDHM C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756391310 575729585 /nfs/dbraw/zinc/72/95/85/575729585.db2.gz LQYNUNUSAVGZOD-GFCCVEGCSA-N -1 3 339.355 2.732 20 10 EFCDHM C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc(F)cc(F)c1[O-] ZINC000756460585 575743039 /nfs/dbraw/zinc/74/30/39/575743039.db2.gz SFSZVHSIIBNPJK-MEBBXXQBSA-N -1 3 337.370 2.587 20 10 EFCDHM C[C@H](NCc1nnnn1-c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756490772 575747940 /nfs/dbraw/zinc/74/79/40/575747940.db2.gz SHOVDMBPSJOVMX-NSHDSACASA-N -1 3 329.791 2.872 20 10 EFCDHM C[C@H](NCc1nccn1C)c1cc(Br)c(F)cc1[O-] ZINC000756539688 575757021 /nfs/dbraw/zinc/75/70/21/575757021.db2.gz RELIVDPCDUBIFK-QMMMGPOBSA-N -1 3 328.185 2.878 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CO)c2ccccc2C)c1 ZINC000756635690 575771151 /nfs/dbraw/zinc/77/11/51/575771151.db2.gz GZQWPGKKBJNNIQ-SUMWQHHRSA-N -1 3 329.396 2.871 20 10 EFCDHM C[C@@H](NCc1cccc2c1OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756703091 575778704 /nfs/dbraw/zinc/77/87/04/575778704.db2.gz FHYFDKMJMRKLCB-LLVKDONJSA-N -1 3 330.340 2.922 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CO)c2ccc(F)cc2)c1 ZINC000756711085 575779518 /nfs/dbraw/zinc/77/95/18/575779518.db2.gz IGYCKRFCMFHETK-MEDUHNTESA-N -1 3 333.359 2.702 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC000756711086 575779857 /nfs/dbraw/zinc/77/98/57/575779857.db2.gz IGYCKRFCMFHETK-ZBEGNZNMSA-N -1 3 333.359 2.702 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc([S@](C)=O)cc2)c1 ZINC000756738947 575782847 /nfs/dbraw/zinc/78/28/47/575782847.db2.gz IJKDPDHFRYWTSX-YYUOZPCZSA-N -1 3 347.436 2.767 20 10 EFCDHM C[C@@H](NC[C@H](O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756742162 575783069 /nfs/dbraw/zinc/78/30/69/575783069.db2.gz ZXDIEEQPPMKSBS-PSLIRLAXSA-N -1 3 338.310 2.963 20 10 EFCDHM C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756769344 575785432 /nfs/dbraw/zinc/78/54/32/575785432.db2.gz KMOLZTFSJXIBLW-HTQZYQBOSA-N -1 3 326.245 2.783 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000756796048 575787174 /nfs/dbraw/zinc/78/71/74/575787174.db2.gz IOWGBMXLLAHLIU-SNVBAGLBSA-N -1 3 342.351 2.683 20 10 EFCDHM C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756837964 575790475 /nfs/dbraw/zinc/79/04/75/575790475.db2.gz KHVIEAGBDCBFPC-ZIBATOQPSA-N -1 3 348.834 2.624 20 10 EFCDHM C[C@@H]1C[C@H](Nc2cnn(CC(=O)NC3CC3)c2)c2c1c(F)ccc2[O-] ZINC000757636291 575846539 /nfs/dbraw/zinc/84/65/39/575846539.db2.gz GBBMQBYWRVTLAZ-YGRLFVJLSA-N -1 3 344.390 2.667 20 10 EFCDHM C[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1cc(F)cc(F)c1[O-] ZINC000757660271 575848358 /nfs/dbraw/zinc/84/83/58/575848358.db2.gz DKLSTMSCIOFFRA-JTQLQIEISA-N -1 3 332.350 2.807 20 10 EFCDHM COC[C@](C)(CC(=O)OC)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000757927536 575855948 /nfs/dbraw/zinc/85/59/48/575855948.db2.gz YIFXPSNTPWXSIJ-AWEZNQCLSA-N -1 3 336.215 2.757 20 10 EFCDHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758170197 575861659 /nfs/dbraw/zinc/86/16/59/575861659.db2.gz JOTIPFKHEUUWNF-UHFFFAOYSA-N -1 3 331.752 2.994 20 10 EFCDHM COc1cc(C)c(S(=O)(=O)Nc2ccc([O-])cc2F)c(C)c1 ZINC000758169065 575861679 /nfs/dbraw/zinc/86/16/79/575861679.db2.gz LWQSDXVPLZASJD-UHFFFAOYSA-N -1 3 325.361 2.958 20 10 EFCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccccc1-c1ccno1 ZINC000758169651 575861726 /nfs/dbraw/zinc/86/17/26/575861726.db2.gz WTWHKILMQBXVEA-UHFFFAOYSA-N -1 3 334.328 2.987 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1Cc1cccc(O)c1 ZINC000761007792 576100274 /nfs/dbraw/zinc/10/02/74/576100274.db2.gz XMXQQBVNTOWIKZ-UHFFFAOYSA-N -1 3 346.770 2.716 20 10 EFCDHM CCOc1ccc(CN2CCN(Cc3ccccn3)CC2)c([O-])c1 ZINC000768214018 577261150 /nfs/dbraw/zinc/26/11/50/577261150.db2.gz FIXOAJHZTFUYLU-UHFFFAOYSA-N -1 3 327.428 2.504 20 10 EFCDHM CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([O-])cs2)n1 ZINC000768291058 577264703 /nfs/dbraw/zinc/26/47/03/577264703.db2.gz DPDCMCFCXSGUKV-QMMMGPOBSA-N -1 3 327.431 2.923 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCOC3(C1)CCCCCC3)[C@@H](O)CO2 ZINC000768461296 577275559 /nfs/dbraw/zinc/27/55/59/577275559.db2.gz AGJVAISZDGEUJR-KRWDZBQOSA-N -1 3 333.428 2.743 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCc3c(F)ccc(F)c3C1)[C@@H](O)CO2 ZINC000768464761 577276275 /nfs/dbraw/zinc/27/62/75/577276275.db2.gz UWBPFPHEKYVSSY-KRWDZBQOSA-N -1 3 333.334 2.655 20 10 EFCDHM CN(Cc1c([O-])cccc1Cl)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000769422986 577361536 /nfs/dbraw/zinc/36/15/36/577361536.db2.gz LANFYIPOLDGDKF-NSHDSACASA-N -1 3 336.741 2.641 20 10 EFCDHM COc1cccc([O-])c1CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000769425896 577361763 /nfs/dbraw/zinc/36/17/63/577361763.db2.gz YPHCUZZIUQZDTK-HNNXBMFYSA-N -1 3 327.428 2.675 20 10 EFCDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000769466123 577364302 /nfs/dbraw/zinc/36/43/02/577364302.db2.gz HZWIWNVUUNDRMH-AWEZNQCLSA-N -1 3 327.808 2.588 20 10 EFCDHM CCOc1ccc(CN2CCNC(=O)[C@@H]2c2cccs2)c([O-])c1 ZINC000769478769 577365653 /nfs/dbraw/zinc/36/56/53/577365653.db2.gz FYIRMKXIWJZHNF-INIZCTEOSA-N -1 3 332.425 2.526 20 10 EFCDHM CCOc1ccc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c([O-])c1 ZINC000769482892 577366002 /nfs/dbraw/zinc/36/60/02/577366002.db2.gz KPPRMSZOPWQYDF-WBVHZDCISA-N -1 3 341.473 2.579 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(c2nc(C)c(C)s2)CC1 ZINC000769497407 577367247 /nfs/dbraw/zinc/36/72/47/577367247.db2.gz DBAJCJHITTVOLD-UHFFFAOYSA-N -1 3 333.457 2.796 20 10 EFCDHM COc1cccc([O-])c1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000769542419 577371325 /nfs/dbraw/zinc/37/13/25/577371325.db2.gz INQHXPWDPVLIGP-UHFFFAOYSA-N -1 3 336.395 2.675 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC1COC1 ZINC000769709443 577380128 /nfs/dbraw/zinc/38/01/28/577380128.db2.gz IWLJHOHLLFIHGP-UHFFFAOYSA-N -1 3 328.206 2.540 20 10 EFCDHM [O-]c1ccc(-c2ccccc2)cc1CNCc1nnnn1CC1CC1 ZINC000769932657 577394082 /nfs/dbraw/zinc/39/40/82/577394082.db2.gz HHHSDSFUJLCBEQ-UHFFFAOYSA-N -1 3 335.411 2.746 20 10 EFCDHM COc1ccc2c(c1)nc(CNCc1c([O-])cccc1OC)n2C ZINC000769936048 577394202 /nfs/dbraw/zinc/39/42/02/577394202.db2.gz CKASSPMSPATJAC-UHFFFAOYSA-N -1 3 327.384 2.586 20 10 EFCDHM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000769934204 577394216 /nfs/dbraw/zinc/39/42/16/577394216.db2.gz MJQVIRZVLYSOIU-UHFFFAOYSA-N -1 3 328.324 2.808 20 10 EFCDHM CCOc1ccc(CN2CCN(CC(F)(F)F)[C@H](C)C2)c([O-])c1 ZINC000770390033 577414814 /nfs/dbraw/zinc/41/48/14/577414814.db2.gz JAJBLUOGIRYCKA-GFCCVEGCSA-N -1 3 332.366 2.859 20 10 EFCDHM O=C1CNC(=O)N1c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000770401955 577415634 /nfs/dbraw/zinc/41/56/34/577415634.db2.gz LGFBOMFSAPXXOV-UHFFFAOYSA-N -1 3 331.759 2.714 20 10 EFCDHM COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccccc1 ZINC000770501379 577421910 /nfs/dbraw/zinc/42/19/10/577421910.db2.gz FLFFLCQCJXQFNJ-WFASDCNBSA-N -1 3 343.379 2.686 20 10 EFCDHM COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccccc1 ZINC000770501375 577421969 /nfs/dbraw/zinc/42/19/69/577421969.db2.gz FLFFLCQCJXQFNJ-IUODEOHRSA-N -1 3 343.379 2.686 20 10 EFCDHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000770506173 577422011 /nfs/dbraw/zinc/42/20/11/577422011.db2.gz WSFPCPLRSQTDLN-CJNGLKHVSA-N -1 3 336.432 2.506 20 10 EFCDHM CC[C@H](OC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771053681 581169275 /nfs/dbraw/zinc/16/92/75/581169275.db2.gz PPCKZHAYFIRINW-ZBFHGGJFSA-N -1 3 340.851 2.551 20 10 EFCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000772931923 581381903 /nfs/dbraw/zinc/38/19/03/581381903.db2.gz JFFATGQCJNFZNX-GHMZBOCLSA-N -1 3 340.445 2.924 20 10 EFCDHM O=C(Cc1ccoc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000773407392 581427817 /nfs/dbraw/zinc/42/78/17/581427817.db2.gz LPBYSCOFSMMPMA-MRXNPFEDSA-N -1 3 348.830 2.962 20 10 EFCDHM O=C(c1cc([O-])cs1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000774607454 581495050 /nfs/dbraw/zinc/49/50/50/581495050.db2.gz XFPREODJXUCVCW-UHFFFAOYSA-N -1 3 331.437 2.911 20 10 EFCDHM COc1ccc2c(c1)CCCCN2CCC[N-]C(=O)C(F)(F)F ZINC000774764261 581500326 /nfs/dbraw/zinc/50/03/26/581500326.db2.gz STPONRBSRONTMR-UHFFFAOYSA-N -1 3 330.350 2.907 20 10 EFCDHM CNC(=O)c1ccc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774929889 581504381 /nfs/dbraw/zinc/50/43/81/581504381.db2.gz PVVYUFGOHHSYIJ-UHFFFAOYSA-N -1 3 345.355 2.589 20 10 EFCDHM COCCOc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774933439 581504483 /nfs/dbraw/zinc/50/44/83/581504483.db2.gz NXJKROUDSWKEJK-UHFFFAOYSA-N -1 3 348.355 2.946 20 10 EFCDHM COc1c([O-])c(CNc2cccc(-n3ccnn3)c2)ccc1[N+](=O)[O-] ZINC000774937275 581504606 /nfs/dbraw/zinc/50/46/06/581504606.db2.gz WZXROONJAPKFJU-UHFFFAOYSA-N -1 3 341.327 2.502 20 10 EFCDHM COc1ccc(N2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)cc1F ZINC000832383554 601551703 /nfs/dbraw/zinc/55/17/03/601551703.db2.gz LCHDBQSKAODCOI-GOSISDBHSA-N -1 3 344.386 2.782 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000707129775 1275336304 /nfs/dbraw/zinc/33/63/04/1275336304.db2.gz NMPVGFGQCZUOKN-LLVKDONJSA-N -1 3 340.139 2.918 20 10 EFCDHM CC[C@@H](NCc1nc(C(N)=O)cs1)c1cc(Cl)ccc1[O-] ZINC000850539708 1250527750 /nfs/dbraw/zinc/52/77/50/1250527750.db2.gz FNUUKOLTERIWIT-SNVBAGLBSA-N -1 3 325.821 2.842 20 10 EFCDHM C[C@H](NCc1nc(C(N)=O)cs1)c1cccc(C(F)(F)F)c1[O-] ZINC000850539712 1250527942 /nfs/dbraw/zinc/52/79/42/1250527942.db2.gz FQICUPTZRCQDJL-ZETCQYMHSA-N -1 3 345.346 2.817 20 10 EFCDHM C[C@H](NCc1c([O-])cccc1Br)C(=O)OC(C)(C)C ZINC000707226872 1251265676 /nfs/dbraw/zinc/26/56/76/1251265676.db2.gz FYBBBQOPJBZXNO-VIFPVBQESA-N -1 3 330.222 2.975 20 10 EFCDHM Cn1cnc2ncc(NCc3cc(Cl)c4cccnc4c3[O-])nc21 ZINC001168525798 1252596678 /nfs/dbraw/zinc/59/66/78/1252596678.db2.gz LBWSXYUQGLGNGU-UHFFFAOYSA-N -1 3 340.774 2.883 20 10 EFCDHM CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(Br)cc1[O-] ZINC000824895020 1278330593 /nfs/dbraw/zinc/33/05/93/1278330593.db2.gz PDRNWAOTXGHWEI-JTQLQIEISA-N -1 3 330.222 2.927 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCOC2(CCOCC2)C1 ZINC000824920071 1278354706 /nfs/dbraw/zinc/35/47/06/1278354706.db2.gz GBKGUPWVUMXKLS-UHFFFAOYSA-N -1 3 342.233 2.536 20 10 EFCDHM O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000186845630 1267762998 /nfs/dbraw/zinc/76/29/98/1267762998.db2.gz HTBMKXWHTUPJJA-UHFFFAOYSA-N -1 3 341.285 2.969 20 10 EFCDHM COC(=O)[C@H](COC(C)C)N(C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824939183 1278359868 /nfs/dbraw/zinc/35/98/68/1278359868.db2.gz PSGVTHDCAFRQFS-AWEZNQCLSA-N -1 3 329.824 2.752 20 10 EFCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000740706235 1269031669 /nfs/dbraw/zinc/03/16/69/1269031669.db2.gz SKHRXKYRHSOJKG-UHFFFAOYSA-N -1 3 346.408 2.628 20 10 EFCDHM COC(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000792164768 1278602431 /nfs/dbraw/zinc/60/24/31/1278602431.db2.gz DSNMKCGVBTYZBD-NSHDSACASA-N -1 3 327.783 2.960 20 10 EFCDHM C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(F)cc(F)c1[O-] ZINC000786964579 1275592281 /nfs/dbraw/zinc/59/22/81/1275592281.db2.gz ZECXURHDFJZADC-MRVPVSSYSA-N -1 3 347.408 2.986 20 10 EFCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])cc(-n2cccn2)c1 ZINC000792631542 1279014807 /nfs/dbraw/zinc/01/48/07/1279014807.db2.gz ZNNVPOSOWQEJGG-UHFFFAOYSA-N -1 3 325.324 2.544 20 10 EFCDHM COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000817688673 1276274283 /nfs/dbraw/zinc/27/42/83/1276274283.db2.gz IDSCJYJNTHPBPE-UHFFFAOYSA-N -1 3 343.379 2.920 20 10 EFCDHM CCn1nc(C)c(CN[C@H](C)c2cc(Br)ccc2[O-])n1 ZINC000818344850 1276511778 /nfs/dbraw/zinc/51/17/78/1276511778.db2.gz HJHXDIOVINDAMT-SECBINFHSA-N -1 3 339.237 2.925 20 10 EFCDHM O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000187079646 1276753200 /nfs/dbraw/zinc/75/32/00/1276753200.db2.gz FBZHYZRZIBTSEH-ZDUSSCGKSA-N -1 3 341.285 2.580 20 10 EFCDHM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000819587375 1276829996 /nfs/dbraw/zinc/82/99/96/1276829996.db2.gz YLMIDCHHYHKWJL-HNNXBMFYSA-N -1 3 340.423 2.966 20 10 EFCDHM CC(C)(C)c1ccc([C@H](O)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000187098963 1276980286 /nfs/dbraw/zinc/98/02/86/1276980286.db2.gz JIMWMOOONDBVNE-MRXNPFEDSA-N -1 3 329.396 2.859 20 10 EFCDHM C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000789870545 1277066954 /nfs/dbraw/zinc/06/69/54/1277066954.db2.gz RRZPMDNNXXRBIS-GFCCVEGCSA-N -1 3 330.359 2.588 20 10 EFCDHM COc1cccc(C[C@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000790558228 1277645607 /nfs/dbraw/zinc/64/56/07/1277645607.db2.gz UDJURIQGJMHTCZ-CQSZACIVSA-N -1 3 327.380 2.954 20 10 EFCDHM COC(=O)CCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790706696 1277736285 /nfs/dbraw/zinc/73/62/85/1277736285.db2.gz IFZXKUWZRGDYSM-UHFFFAOYSA-N -1 3 345.351 2.682 20 10 EFCDHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790786468 1277772805 /nfs/dbraw/zinc/77/28/05/1277772805.db2.gz WGTZJTNTMUXGRJ-UHFFFAOYSA-N -1 3 329.352 2.801 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(CCCn2ccnc2)CC1 ZINC000790926569 1277848296 /nfs/dbraw/zinc/84/82/96/1277848296.db2.gz LMNDIYQUDGAVOX-UHFFFAOYSA-N -1 3 329.400 2.627 20 10 EFCDHM NC(=O)C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000815154209 1287332566 /nfs/dbraw/zinc/33/25/66/1287332566.db2.gz DRPCHMAPKPEQDQ-ZDUSSCGKSA-N -1 3 349.774 2.660 20 10 EFCDHM C[C@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])[C@H]1CO ZINC001144298326 1279385476 /nfs/dbraw/zinc/38/54/76/1279385476.db2.gz BKDZWMAUOHULIF-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H](F)[C@@H](O)CC1 ZINC001144299130 1279385919 /nfs/dbraw/zinc/38/59/19/1279385919.db2.gz QBXWBNMXNFMNCP-PWSUYJOCSA-N -1 3 336.176 2.589 20 10 EFCDHM C[C@@H]1CC[C@@H](CO)CN1Cc1cc(Br)c(F)cc1[O-] ZINC001144299144 1279387650 /nfs/dbraw/zinc/38/76/50/1279387650.db2.gz QKMCUOCROFXNPV-NXEZZACHSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000793184263 1279428378 /nfs/dbraw/zinc/42/83/78/1279428378.db2.gz ZHNFUPMBQXPFGH-HNNXBMFYSA-N -1 3 339.798 2.853 20 10 EFCDHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)s1 ZINC000845996846 1279988772 /nfs/dbraw/zinc/98/87/72/1279988772.db2.gz VFEVJJBHRHCMHI-UHFFFAOYSA-N -1 3 332.834 2.543 20 10 EFCDHM CCOC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001148211900 1281454076 /nfs/dbraw/zinc/45/40/76/1281454076.db2.gz BLFNYNPTKYNTTD-UHFFFAOYSA-N -1 3 343.379 2.693 20 10 EFCDHM COc1cccc(Cn2nccc2NC(=O)c2cccc(O)c2[O-])c1 ZINC001148211937 1281454305 /nfs/dbraw/zinc/45/43/05/1281454305.db2.gz DGANDVBQYRBFFN-UHFFFAOYSA-N -1 3 339.351 2.604 20 10 EFCDHM O=C(Nc1ccc(Br)c2c[nH]nc21)c1cccc(O)c1[O-] ZINC001148219088 1281456737 /nfs/dbraw/zinc/45/67/37/1281456737.db2.gz RMNVKNUJIPWWJE-UHFFFAOYSA-N -1 3 348.156 2.989 20 10 EFCDHM COC(=O)c1cc(F)c(NC(=O)c2cccc(O)c2[O-])c(C)c1F ZINC001148218890 1281457738 /nfs/dbraw/zinc/45/77/38/1281457738.db2.gz MGLRQGKHCRXSTB-UHFFFAOYSA-N -1 3 337.278 2.723 20 10 EFCDHM CCN(C)C(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000805449612 1285022814 /nfs/dbraw/zinc/02/28/14/1285022814.db2.gz YFCXRUGQDXRFCH-UHFFFAOYSA-N -1 3 328.368 2.750 20 10 EFCDHM CC(C)(C)OC(=O)N1CC(NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554868 1288210950 /nfs/dbraw/zinc/21/09/50/1288210950.db2.gz LHTZYVGRFAAING-UHFFFAOYSA-N -1 3 330.787 2.894 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](n3ccnn3)C2)c1[O-] ZINC000823469207 1289312260 /nfs/dbraw/zinc/31/22/60/1289312260.db2.gz RGSJGGVDEMGNEE-CQSZACIVSA-N -1 3 334.807 2.677 20 10 EFCDHM Cc1cc(CN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)no1 ZINC000824535484 1289686666 /nfs/dbraw/zinc/68/66/66/1289686666.db2.gz RCWNCABBBMIQKJ-UHFFFAOYSA-N -1 3 335.835 2.968 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccccn3)CC2)cc1Cl ZINC000824575437 1289705708 /nfs/dbraw/zinc/70/57/08/1289705708.db2.gz FDYIJYGNPMVNCR-UHFFFAOYSA-N -1 3 345.830 2.707 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCCC[C@H]1O ZINC001181098756 1289706077 /nfs/dbraw/zinc/70/60/77/1289706077.db2.gz XQIVHPLPBFWRRE-TZMCWYRMSA-N -1 3 334.803 2.761 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1CC2(COC2)C1 ZINC001181616416 1289878625 /nfs/dbraw/zinc/87/86/25/1289878625.db2.gz IVFJQDFXZCLBTE-UHFFFAOYSA-N -1 3 332.787 2.637 20 10 EFCDHM Cc1cc([O-])c(CN2CCCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000825716393 1290229609 /nfs/dbraw/zinc/22/96/09/1290229609.db2.gz SZJYVZVHSNSQNU-CYBMUJFWSA-N -1 3 331.865 2.753 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CCC[C@@H](F)C1 ZINC001232979157 1312824579 /nfs/dbraw/zinc/82/45/79/1312824579.db2.gz SYPBUYIINREJLS-SNVBAGLBSA-N -1 3 335.160 2.931 20 10 EFCDHM [O-]c1cc(I)ccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001232975646 1312824694 /nfs/dbraw/zinc/82/46/94/1312824694.db2.gz JIBPFRZNULWVEN-DLOVCJGASA-N -1 3 347.171 2.787 20 10 EFCDHM COc1c([O-])c(CN(C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000775054901 1291023622 /nfs/dbraw/zinc/02/36/22/1291023622.db2.gz AJHSPBINRFYRFC-UHFFFAOYSA-N -1 3 332.312 2.674 20 10 EFCDHM C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)C[C@H](C)N1C ZINC001233032137 1312837501 /nfs/dbraw/zinc/83/75/01/1312837501.db2.gz VCJQAYFWMCIGOV-AOOOYVTPSA-N -1 3 331.229 2.818 20 10 EFCDHM Cc1nc(CCN(C)Cc2c([O-])cc(Br)cc2F)no1 ZINC001233028343 1312836347 /nfs/dbraw/zinc/83/63/47/1312836347.db2.gz NUJKHLNTLZVDDV-UHFFFAOYSA-N -1 3 344.184 2.660 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@H]2OCC[C@H]2C1 ZINC001233029164 1312836364 /nfs/dbraw/zinc/83/63/64/1312836364.db2.gz AODZZPWPDOYYFU-LKFCYVNXSA-N -1 3 330.197 2.905 20 10 EFCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc([O-])c1F ZINC001233053503 1312845031 /nfs/dbraw/zinc/84/50/31/1312845031.db2.gz QRMDMCPOAPPOOT-UHFFFAOYSA-N -1 3 330.403 3.000 20 10 EFCDHM CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233076193 1312849783 /nfs/dbraw/zinc/84/97/83/1312849783.db2.gz KQKJVRAXLBMARE-YABSGUDNSA-N -1 3 340.370 2.625 20 10 EFCDHM CC(C)(C)C(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079372 1312850863 /nfs/dbraw/zinc/85/08/63/1312850863.db2.gz AQRIPFSVBSVIOR-UHFFFAOYSA-N -1 3 326.387 2.797 20 10 EFCDHM CN(CC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000126905130 1291495228 /nfs/dbraw/zinc/49/52/28/1291495228.db2.gz CQWXOGOEXCVIRG-UHFFFAOYSA-N -1 3 330.222 2.928 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)[C@@H](F)C2)cc1Br ZINC001233135732 1312863455 /nfs/dbraw/zinc/86/34/55/1312863455.db2.gz YTWCHSHNFUQAMH-NSHDSACASA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@H](C(C)=O)C2)cc1Br ZINC001233140584 1312864791 /nfs/dbraw/zinc/86/47/91/1312864791.db2.gz NMXLVKSYWPNFRX-NSHDSACASA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H](C)OC[C@H]2C)cc1Br ZINC001233141455 1312865020 /nfs/dbraw/zinc/86/50/20/1312865020.db2.gz JGHNMRRERQSHBI-NXEZZACHSA-N -1 3 330.222 2.773 20 10 EFCDHM CCOC(=O)CN(CC)Cc1cc(Br)c(OC)cc1[O-] ZINC001233142429 1312865100 /nfs/dbraw/zinc/86/51/00/1312865100.db2.gz RZUNSQCQRIMEOD-UHFFFAOYSA-N -1 3 346.221 2.548 20 10 EFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC3CC(C3)C2)c1 ZINC001233308885 1312899082 /nfs/dbraw/zinc/89/90/82/1312899082.db2.gz JMIIAQDVQYBBED-UHFFFAOYSA-N -1 3 340.217 2.783 20 10 EFCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H]2C)c1 ZINC001233305863 1312899246 /nfs/dbraw/zinc/89/92/46/1312899246.db2.gz WPPHHNLMXPTBQS-SECBINFHSA-N -1 3 328.206 2.926 20 10 EFCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2F)CC[C@]1(O)C(F)(F)F ZINC001233332657 1312904598 /nfs/dbraw/zinc/90/45/98/1312904598.db2.gz SRMJDHREWRWQFP-ISVAXAHUSA-N -1 3 325.277 2.806 20 10 EFCDHM CC(C)C(=O)N1CC[C@@H]2CN(Cc3c([O-])ccc(F)c3F)CC[C@@H]21 ZINC001233334132 1312906845 /nfs/dbraw/zinc/90/68/45/1312906845.db2.gz VQWRCTWSNKBALU-DOMZBBRYSA-N -1 3 338.398 2.749 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1[O-] ZINC000128288231 1292419862 /nfs/dbraw/zinc/41/98/62/1292419862.db2.gz KZSUVTKSRVYSKV-JTQLQIEISA-N -1 3 348.340 2.802 20 10 EFCDHM O=C1COC2(C1)CCN(Cc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001233416646 1312928037 /nfs/dbraw/zinc/92/80/37/1312928037.db2.gz QDDHCHWJDMSZEV-UHFFFAOYSA-N -1 3 329.318 2.735 20 10 EFCDHM CN(C)C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419790 1312928518 /nfs/dbraw/zinc/92/85/18/1312928518.db2.gz MPOMYPCLAGXJPX-GFCCVEGCSA-N -1 3 345.365 2.647 20 10 EFCDHM COCCCCN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419528 1312928644 /nfs/dbraw/zinc/92/86/44/1312928644.db2.gz BFBAOXKOIQQEMH-UHFFFAOYSA-N -1 3 346.393 2.955 20 10 EFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1C[C@@H](CO)CC(F)(F)C1 ZINC001233452198 1312935218 /nfs/dbraw/zinc/93/52/18/1312935218.db2.gz NOGQWPZVAURHRO-VIFPVBQESA-N -1 3 325.277 2.861 20 10 EFCDHM C[C@H]1CN(C2CN(Cc3ccc(C(F)(F)F)cc3[O-])C2)C[C@H](C)O1 ZINC001233455719 1312935939 /nfs/dbraw/zinc/93/59/39/1312935939.db2.gz WBVPGGHAHLCDIY-RYUDHWBXSA-N -1 3 344.377 2.704 20 10 EFCDHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ccc(O)cc1O ZINC001191865317 1292681654 /nfs/dbraw/zinc/68/16/54/1292681654.db2.gz YVVFXFXWCRUCPC-UHFFFAOYSA-N -1 3 331.752 2.832 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCN(c2cccnc2)CC1 ZINC001203635847 1312977189 /nfs/dbraw/zinc/97/71/89/1312977189.db2.gz IYMFTTKUELCGNX-UHFFFAOYSA-N -1 3 348.244 2.872 20 10 EFCDHM CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(Br)ccc1[O-] ZINC001203639704 1312977946 /nfs/dbraw/zinc/97/79/46/1312977946.db2.gz IHYONHXMTBYZSC-ABAIWWIYSA-N -1 3 340.217 2.682 20 10 EFCDHM CCOC[C@@H]1Cn2nccc2CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203658388 1312982334 /nfs/dbraw/zinc/98/23/34/1312982334.db2.gz LHZMIYBLLTUTIS-ZDUSSCGKSA-N -1 3 335.835 2.911 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCc2onc(Cn3cccn3)c2C1 ZINC001203659108 1312982700 /nfs/dbraw/zinc/98/27/00/1312982700.db2.gz RTCJBKAYYLLLBI-UHFFFAOYSA-N -1 3 344.802 2.837 20 10 EFCDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001193434550 1293308593 /nfs/dbraw/zinc/30/85/93/1293308593.db2.gz BGYDLBPEXFYQOB-UHFFFAOYSA-N -1 3 349.408 2.905 20 10 EFCDHM CCn1nccc1CNCc1cc(Br)cc(F)c1[O-] ZINC000883182809 1293496853 /nfs/dbraw/zinc/49/68/53/1293496853.db2.gz LJUSQIMSWFPOLY-UHFFFAOYSA-N -1 3 328.185 2.800 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccnn1CCF ZINC001194547246 1293663605 /nfs/dbraw/zinc/66/36/05/1293663605.db2.gz SRMMYGQLPFZFNG-UHFFFAOYSA-N -1 3 348.765 2.690 20 10 EFCDHM O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc([O-])cc1 ZINC001195811736 1294045934 /nfs/dbraw/zinc/04/59/34/1294045934.db2.gz SKVQGNFHEVGOHR-UHFFFAOYSA-N -1 3 346.452 2.861 20 10 EFCDHM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3c([O-])cccc3F)C2)C1 ZINC001276354191 1294571237 /nfs/dbraw/zinc/57/12/37/1294571237.db2.gz LQIDAEMHGAQUGZ-OAHLLOKOSA-N -1 3 342.414 2.698 20 10 EFCDHM COC(=O)[C@@H]1C[C@H](F)CN1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234525140 1313145151 /nfs/dbraw/zinc/14/51/51/1313145151.db2.gz BKJZRDPZASGFRG-LRDDRELGSA-N -1 3 333.359 2.639 20 10 EFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(OC[C@H]3CCCO3)c12 ZINC001234750133 1313189097 /nfs/dbraw/zinc/18/90/97/1313189097.db2.gz YZCQMOVBIYZFMR-SNVBAGLBSA-N -1 3 344.319 2.621 20 10 EFCDHM C[C@@H]1CC[C@H](CO)CN1Cc1cc(F)cc(Br)c1[O-] ZINC001235298417 1313284575 /nfs/dbraw/zinc/28/45/75/1313284575.db2.gz SFGZIBJXERTPNT-ZJUUUORDSA-N -1 3 332.213 2.887 20 10 EFCDHM NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cncc([O-])c1 ZINC001201641947 1296993078 /nfs/dbraw/zinc/99/30/78/1296993078.db2.gz XLBYHUPODVIRQI-UHFFFAOYSA-N -1 3 347.374 2.790 20 10 EFCDHM CCOc1cc2c(cc1CNC(=O)c1cccc(O)c1[O-])O[C@H](C)C2 ZINC000776319761 1297583490 /nfs/dbraw/zinc/58/34/90/1297583490.db2.gz INQATRYYAZMBCB-LLVKDONJSA-N -1 3 343.379 2.750 20 10 EFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@H](N2CCOCC2)C1 ZINC001236795517 1313530027 /nfs/dbraw/zinc/53/00/27/1313530027.db2.gz FVZBRNOETJYNLG-LBPRGKRZSA-N -1 3 331.243 2.606 20 10 EFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC2(C[C@H](O)CO2)CC1 ZINC001236792635 1313530124 /nfs/dbraw/zinc/53/01/24/1313530124.db2.gz GFBSFMKNWONYRJ-NSHDSACASA-N -1 3 332.227 2.815 20 10 EFCDHM CCOC(=O)C1(F)CCN(Cc2c([O-])cc(OC)cc2Cl)CC1 ZINC001236799460 1313531489 /nfs/dbraw/zinc/53/14/89/1313531489.db2.gz OGAZVKXFDJIZHU-UHFFFAOYSA-N -1 3 345.798 2.921 20 10 EFCDHM COc1cc([O-])c(CN2CCN(c3nccs3)CC2)c(Cl)c1 ZINC001236797778 1313531532 /nfs/dbraw/zinc/53/15/32/1313531532.db2.gz IYOYABKRXDAOHD-UHFFFAOYSA-N -1 3 339.848 2.833 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC001236798282 1313531613 /nfs/dbraw/zinc/53/16/13/1313531613.db2.gz MSGVBSLEOHCLLZ-LBPRGKRZSA-N -1 3 325.714 2.553 20 10 EFCDHM COc1ccc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)c([O-])c1Cl ZINC001236802017 1313531870 /nfs/dbraw/zinc/53/18/70/1313531870.db2.gz MUZMFCOYLIHTLC-ZJUUUORDSA-N -1 3 339.741 2.657 20 10 EFCDHM COc1ccc(CN2CC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1Cl ZINC001236809910 1313533716 /nfs/dbraw/zinc/53/37/16/1313533716.db2.gz OYFLDYFGWGFQAB-CYBMUJFWSA-N -1 3 349.818 2.806 20 10 EFCDHM CCOC(=O)[C@@H]1CN(Cc2c([O-])cc(OC)cc2Cl)CCS1 ZINC001236809167 1313534241 /nfs/dbraw/zinc/53/42/41/1313534241.db2.gz SYJIAEQGWIUILK-AWEZNQCLSA-N -1 3 345.848 2.535 20 10 EFCDHM COc1ccc(CN2CC[C@@H](Oc3nccnc3C)C2)c([O-])c1Cl ZINC001236810838 1313534365 /nfs/dbraw/zinc/53/43/65/1313534365.db2.gz XZDFQEYWLQYCRZ-CYBMUJFWSA-N -1 3 349.818 2.806 20 10 EFCDHM COc1ccc(CN2CCC(Oc3ncccn3)CC2)c([O-])c1Cl ZINC001236808485 1313534520 /nfs/dbraw/zinc/53/45/20/1313534520.db2.gz BTLZXRDCDFFXNI-UHFFFAOYSA-N -1 3 349.818 2.888 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@H](C)C2)c(Br)c1 ZINC001237064141 1313580443 /nfs/dbraw/zinc/58/04/43/1313580443.db2.gz XEEOOPYHUAQXMS-SECBINFHSA-N -1 3 328.206 2.574 20 10 EFCDHM CC[C@@]12C[C@@H](CO1)N(Cc1c([O-])cc(OC)cc1Br)C2 ZINC001237066791 1313581036 /nfs/dbraw/zinc/58/10/36/1313581036.db2.gz BKTCIHYHHNQSIF-BONVTDFDSA-N -1 3 342.233 2.917 20 10 EFCDHM COc1cc([O-])c(CN2CCOC[C@H]2C2CC2)c(Br)c1 ZINC001237070089 1313581942 /nfs/dbraw/zinc/58/19/42/1313581942.db2.gz KYXFYLYEJLLZDP-AWEZNQCLSA-N -1 3 342.233 2.774 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(Br)c1 ZINC001237058922 1313578480 /nfs/dbraw/zinc/57/84/80/1313578480.db2.gz CDQFOXDNMCPULX-GMOODISLSA-N -1 3 330.197 2.953 20 10 EFCDHM COc1cc([O-])c(CN2CCC[C@@H](F)C(=O)C2)c(Br)c1 ZINC001237062173 1313579079 /nfs/dbraw/zinc/57/90/79/1313579079.db2.gz KTUYUARFSOMCQX-GFCCVEGCSA-N -1 3 346.196 2.666 20 10 EFCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC001237061799 1313579091 /nfs/dbraw/zinc/57/90/91/1313579091.db2.gz IALADUPOQOLLCS-AOOOYVTPSA-N -1 3 328.206 2.527 20 10 EFCDHM CN(C)C(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237123366 1313590573 /nfs/dbraw/zinc/59/05/73/1313590573.db2.gz DMGHESCXBTVOTB-GFCCVEGCSA-N -1 3 340.826 2.875 20 10 EFCDHM Cc1cc([O-])c(CN2CCc3nn(C)cc3C2)cc1Br ZINC001237679809 1313689900 /nfs/dbraw/zinc/68/99/00/1313689900.db2.gz UTWYDELPIBELEY-UHFFFAOYSA-N -1 3 336.233 2.755 20 10 EFCDHM CCC(=O)N1CCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237678096 1313690035 /nfs/dbraw/zinc/69/00/35/1313690035.db2.gz SBNNEXHWTAINDB-UHFFFAOYSA-N -1 3 341.249 2.517 20 10 EFCDHM Cc1cc([O-])c(CN2CCc3c(ncn3C)C2)cc1Br ZINC001237682250 1313690777 /nfs/dbraw/zinc/69/07/77/1313690777.db2.gz OTBZSEJFCVXWTE-UHFFFAOYSA-N -1 3 336.233 2.755 20 10 EFCDHM Cc1cc([O-])c(CN2CCCC3(C2)OCCO3)cc1Br ZINC001237682281 1313690808 /nfs/dbraw/zinc/69/08/08/1313690808.db2.gz PUAPTAQVZGGYFH-UHFFFAOYSA-N -1 3 342.233 2.802 20 10 EFCDHM CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001276537383 1313702394 /nfs/dbraw/zinc/70/23/94/1313702394.db2.gz FTJKAULBUXSTPZ-IYBDPMFKSA-N -1 3 344.434 2.597 20 10 EFCDHM CN(C)C(=O)[C@@H]1CC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237798821 1313708118 /nfs/dbraw/zinc/70/81/18/1313708118.db2.gz BMDHLTYJUREPNK-ZDUSSCGKSA-N -1 3 340.826 2.875 20 10 EFCDHM O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1cccc(O)c1[O-] ZINC000855113381 1300794393 /nfs/dbraw/zinc/79/43/93/1300794393.db2.gz CBNPXZJUQORHOU-QGZVFWFLSA-N -1 3 327.380 2.732 20 10 EFCDHM [O-]c1cc(Cl)c(F)cc1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001237935222 1313734133 /nfs/dbraw/zinc/73/41/33/1313734133.db2.gz RWCAEVCDRZFNRH-BDAKNGLRSA-N -1 3 327.705 2.787 20 10 EFCDHM Cc1cnc(O[C@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)nc1 ZINC001237941259 1313734428 /nfs/dbraw/zinc/73/44/28/1313734428.db2.gz UBPWFWSLZHFMEK-LBPRGKRZSA-N -1 3 337.782 2.936 20 10 EFCDHM CC(=O)NC[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000860176649 1301731777 /nfs/dbraw/zinc/73/17/77/1301731777.db2.gz RYASWDTVGLCPCH-OAHLLOKOSA-N -1 3 338.835 2.739 20 10 EFCDHM Cn1cnnc1[C@H]1CCCN1Cc1c([O-])cccc1Br ZINC000862250296 1302320952 /nfs/dbraw/zinc/32/09/52/1302320952.db2.gz MQEGZYPLAGSUPP-GFCCVEGCSA-N -1 3 337.221 2.620 20 10 EFCDHM COc1c([O-])c(CN2CCc3c(O)cccc3C2)ccc1[N+](=O)[O-] ZINC000862529830 1302406114 /nfs/dbraw/zinc/40/61/14/1302406114.db2.gz OTATWOIIOFETMJ-UHFFFAOYSA-N -1 3 330.340 2.573 20 10 EFCDHM CC(=O)c1cc(CN(C2CC2)C2CC2)c([O-])c(CN2CCOCC2)c1 ZINC000863304237 1302582494 /nfs/dbraw/zinc/58/24/94/1302582494.db2.gz UBJZCBWAKVCGBJ-UHFFFAOYSA-N -1 3 344.455 2.554 20 10 EFCDHM CCn1ncnc1CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000794843414 1303264976 /nfs/dbraw/zinc/26/49/76/1303264976.db2.gz WZBUMJODADIQRE-SECBINFHSA-N -1 3 325.210 2.617 20 10 EFCDHM CCn1ncnc1CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000794843415 1303265254 /nfs/dbraw/zinc/26/52/54/1303265254.db2.gz WZBUMJODADIQRE-VIFPVBQESA-N -1 3 325.210 2.617 20 10 EFCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122891331 1305087668 /nfs/dbraw/zinc/08/76/68/1305087668.db2.gz PAXVHZCGIOUMLW-UHFFFAOYSA-N -1 3 346.408 2.731 20 10 EFCDHM COc1cc([O-])c(CN2CC3(CN(Cc4ccc[nH]4)C3)C2)cc1Cl ZINC001276621790 1314106051 /nfs/dbraw/zinc/10/60/51/1314106051.db2.gz ZVIOAQUVWWAUMT-UHFFFAOYSA-N -1 3 347.846 2.700 20 10 EFCDHM Cc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC000801635029 1310637330 /nfs/dbraw/zinc/63/73/30/1310637330.db2.gz CWLNOEISPNOYEO-CQSZACIVSA-N -1 3 349.818 2.736 20 10 EFCDHM Cc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC000801635028 1310638293 /nfs/dbraw/zinc/63/82/93/1310638293.db2.gz CWLNOEISPNOYEO-AWEZNQCLSA-N -1 3 349.818 2.736 20 10 EFCDHM [O-]c1ccc(F)c(Cl)c1CN1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001276837559 1311183439 /nfs/dbraw/zinc/18/34/39/1311183439.db2.gz LYYCUIYLUKBZRZ-UHFFFAOYSA-N -1 3 335.810 2.831 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CN4CCC3CC4)cccc21 ZINC001226380179 1311658639 /nfs/dbraw/zinc/65/86/39/1311658639.db2.gz OSXSTXSDHBWCEH-KRWDZBQOSA-N -1 3 349.386 2.641 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CN4CCC3CC4)cccc21 ZINC001226380180 1311658855 /nfs/dbraw/zinc/65/88/55/1311658855.db2.gz OSXSTXSDHBWCEH-QGZVFWFLSA-N -1 3 349.386 2.641 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCOC[C@@H]3F)cccc21 ZINC001226382835 1311659467 /nfs/dbraw/zinc/65/94/67/1311659467.db2.gz CWBKWKUWFLNWQM-JSGCOSHPSA-N -1 3 342.322 2.673 20 10 EFCDHM CCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000802657101 1311891912 /nfs/dbraw/zinc/89/19/12/1311891912.db2.gz ZSPPPRJGKJEVGR-LBPRGKRZSA-N -1 3 345.226 2.668 20 10 EFCDHM CCO[C@H](C)COc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192932 1312059983 /nfs/dbraw/zinc/05/99/83/1312059983.db2.gz YDIAXLQOBURIPB-LLVKDONJSA-N -1 3 326.348 2.971 20 10 EFCDHM Cc1cc(O[C@@H]2CCN(C)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542834 1312110836 /nfs/dbraw/zinc/11/08/36/1312110836.db2.gz QLLVXCRKEOCECF-GFCCVEGCSA-N -1 3 337.375 2.559 20 10 EFCDHM CO[C@H](C)COc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229542358 1312111167 /nfs/dbraw/zinc/11/11/67/1312111167.db2.gz LUJCKUGVZMNHMH-LLVKDONJSA-N -1 3 326.348 2.890 20 10 EFCDHM Cc1c([O-])cc2c(c1O[C@@H](C)CN(C)C)C(=O)c1ccccc1C2=O ZINC001229828777 1312146478 /nfs/dbraw/zinc/14/64/78/1312146478.db2.gz GNOKFKGJTBEKDI-NSHDSACASA-N -1 3 339.391 2.805 20 10 EFCDHM O=C([O-])c1ccc(CN2CCN(c3ccc(F)c(F)c3)CC2)c(O)c1 ZINC001231445944 1312499141 /nfs/dbraw/zinc/49/91/41/1312499141.db2.gz CWCVGCFYASEFEY-UHFFFAOYSA-N -1 3 348.349 2.691 20 10 EFCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001231446429 1312499254 /nfs/dbraw/zinc/49/92/54/1312499254.db2.gz IQLUUKVTHLGWHO-ZUZCIYMTSA-N -1 3 347.333 2.616 20 10 EFCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001231446429 1312499256 /nfs/dbraw/zinc/49/92/56/1312499256.db2.gz IQLUUKVTHLGWHO-ZUZCIYMTSA-N -1 3 347.333 2.616 20 10 EFCDHM C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001231446427 1312499317 /nfs/dbraw/zinc/49/93/17/1312499317.db2.gz IQLUUKVTHLGWHO-MEBBXXQBSA-N -1 3 347.333 2.616 20 10 EFCDHM C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001231446427 1312499321 /nfs/dbraw/zinc/49/93/21/1312499321.db2.gz IQLUUKVTHLGWHO-MEBBXXQBSA-N -1 3 347.333 2.616 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2CCC(Oc3ccncc3)CC2)c([O-])c1 ZINC001231446834 1312499400 /nfs/dbraw/zinc/49/94/00/1312499400.db2.gz LKRKBPUKSRLZHL-UHFFFAOYSA-N -1 3 328.368 2.529 20 10 EFCDHM CC(C)(C)OC(=O)O[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231446325 1312499541 /nfs/dbraw/zinc/49/95/41/1312499541.db2.gz GTEHFZGVMDTQGB-ZDUSSCGKSA-N -1 3 337.372 2.616 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c([O-])c1 ZINC001231452493 1312500195 /nfs/dbraw/zinc/50/01/95/1312500195.db2.gz AYKXIHIDDFRZJD-UHFFFAOYSA-N -1 3 344.386 2.942 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)c([O-])c1 ZINC001231452493 1312500197 /nfs/dbraw/zinc/50/01/97/1312500197.db2.gz AYKXIHIDDFRZJD-UHFFFAOYSA-N -1 3 344.386 2.942 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001231452093 1312500202 /nfs/dbraw/zinc/50/02/02/1312500202.db2.gz DBLZQXJQJBPOIL-INIZCTEOSA-N -1 3 331.343 2.883 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001231452093 1312500204 /nfs/dbraw/zinc/50/02/04/1312500204.db2.gz DBLZQXJQJBPOIL-INIZCTEOSA-N -1 3 331.343 2.883 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC001231452628 1312500355 /nfs/dbraw/zinc/50/03/55/1312500355.db2.gz DUWMMWNYBMYTQW-INIZCTEOSA-N -1 3 331.343 2.883 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC001231452628 1312500359 /nfs/dbraw/zinc/50/03/59/1312500359.db2.gz DUWMMWNYBMYTQW-INIZCTEOSA-N -1 3 331.343 2.883 20 10 EFCDHM Cc1cccnc1N1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452973 1312500809 /nfs/dbraw/zinc/50/08/09/1312500809.db2.gz YMEIATUGHLHTEU-UHFFFAOYSA-N -1 3 341.411 2.506 20 10 EFCDHM Cc1cccnc1N1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452973 1312500811 /nfs/dbraw/zinc/50/08/11/1312500811.db2.gz YMEIATUGHLHTEU-UHFFFAOYSA-N -1 3 341.411 2.506 20 10 EFCDHM CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454984 1312500979 /nfs/dbraw/zinc/50/09/79/1312500979.db2.gz UOSQQHCDBUXZOO-GFCCVEGCSA-N -1 3 335.400 2.644 20 10 EFCDHM CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454984 1312500982 /nfs/dbraw/zinc/50/09/82/1312500982.db2.gz UOSQQHCDBUXZOO-GFCCVEGCSA-N -1 3 335.400 2.644 20 10 EFCDHM Cc1cccnc1OC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231453258 1312501457 /nfs/dbraw/zinc/50/14/57/1312501457.db2.gz JVWHQVRGCGNNGL-UHFFFAOYSA-N -1 3 342.395 2.837 20 10 EFCDHM CN1CCN(Cc2cc(C(=O)[O-])ccc2O)[C@@H](c2ccccc2)C1 ZINC001231561515 1312525914 /nfs/dbraw/zinc/52/59/14/1312525914.db2.gz VNEVKGVAADUYPI-QGZVFWFLSA-N -1 3 326.396 2.579 20 10 EFCDHM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c(C)cc1[O-] ZINC001231870467 1312578686 /nfs/dbraw/zinc/57/86/86/1312578686.db2.gz CXJIIDHZYSEPOB-UBSAEIQESA-N -1 3 339.819 2.506 20 10 EFCDHM CC(C)NC(=O)N[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913682 1312587054 /nfs/dbraw/zinc/58/70/54/1312587054.db2.gz PGDFPKIWMDRKQC-ZDUSSCGKSA-N -1 3 325.840 2.718 20 10 EFCDHM COc1cc(C)nc(O[C@@H]2CCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231914167 1312587716 /nfs/dbraw/zinc/58/77/16/1312587716.db2.gz ZZICUDXSQWESAB-CYBMUJFWSA-N -1 3 349.818 2.806 20 10 EFCDHM O=C1c2ccccc2[C@@H]2CN(Cc3cc(Cl)c([O-])cc3O)CCN12 ZINC001232258421 1312660352 /nfs/dbraw/zinc/66/03/52/1312660352.db2.gz XVTFVGQCGJZHHC-HNNXBMFYSA-N -1 3 344.798 2.764 20 10 EFCDHM CCOC(=O)C1(F)CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232261835 1312661387 /nfs/dbraw/zinc/66/13/87/1312661387.db2.gz QHPZIUNODULUMZ-UHFFFAOYSA-N -1 3 331.771 2.618 20 10 EFCDHM COCc1noc2c1CN(Cc1cc(Cl)c(OC)cc1[O-])CC2 ZINC001232264729 1312661687 /nfs/dbraw/zinc/66/16/87/1312661687.db2.gz CEEAFELOBUQWHP-UHFFFAOYSA-N -1 3 338.791 2.747 20 10 EFCDHM Cc1ccc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)nc1 ZINC001232264455 1312662076 /nfs/dbraw/zinc/66/20/76/1312662076.db2.gz CBNZXJQCENQZSV-UHFFFAOYSA-N -1 3 333.819 2.777 20 10 EFCDHM COc1cc([O-])c(CN2CC(N3CCC(F)(F)C3)C2)cc1Cl ZINC001232269600 1312662613 /nfs/dbraw/zinc/66/26/13/1312662613.db2.gz GIIOXVIWJNGWBG-UHFFFAOYSA-N -1 3 332.778 2.579 20 10 EFCDHM CCCNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232269203 1312662623 /nfs/dbraw/zinc/66/26/23/1312662623.db2.gz YADRRJMRXCWXHI-ZDUSSCGKSA-N -1 3 326.824 2.632 20 10 EFCDHM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232270354 1312664026 /nfs/dbraw/zinc/66/40/26/1312664026.db2.gz AHYGKYFWXWCBFP-BPYAMOTFSA-N -1 3 325.792 2.580 20 10 EFCDHM CN(c1ccc(Cl)cc1[O-])S(=O)(=O)Cc1ccc(N)cc1 ZINC001214407359 1314688512 /nfs/dbraw/zinc/68/85/12/1314688512.db2.gz OMMIBUAVESQFEO-UHFFFAOYSA-N -1 3 326.805 2.594 20 10 EFCDHM [O-]c1c(O)cccc1-c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001215145789 1314788641 /nfs/dbraw/zinc/78/86/41/1314788641.db2.gz JIJBZTOJEBLWQB-UHFFFAOYSA-N -1 3 339.351 2.651 20 10 EFCDHM COc1cc(F)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1OC ZINC001215325536 1314815411 /nfs/dbraw/zinc/81/54/11/1314815411.db2.gz YDITWWGBBBYQMT-UHFFFAOYSA-N -1 3 348.286 2.677 20 10 EFCDHM COc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1OC ZINC001215325196 1314815461 /nfs/dbraw/zinc/81/54/61/1314815461.db2.gz GHBDRULRLALZGQ-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM COc1ncc(Cl)cc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215328771 1314817340 /nfs/dbraw/zinc/81/73/40/1314817340.db2.gz RDQPJIGGFSJGBG-UHFFFAOYSA-N -1 3 335.703 2.577 20 10 EFCDHM Cc1cc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc(Cl)c1[O-] ZINC001216088357 1314910190 /nfs/dbraw/zinc/91/01/90/1314910190.db2.gz VLHXCVAHHBGCDB-UHFFFAOYSA-N -1 3 340.832 2.902 20 10 EFCDHM COc1ccc(CN2CC[C@@H]2C)c([O-])c1I ZINC001248481790 1314938749 /nfs/dbraw/zinc/93/87/49/1314938749.db2.gz GHSJGCULBKCDEK-QMMMGPOBSA-N -1 3 333.169 2.600 20 10 EFCDHM COc1ccc(CN2CC[C@H](C)C2)c([O-])c1I ZINC001248481882 1314938729 /nfs/dbraw/zinc/93/87/29/1314938729.db2.gz JJXFLXPHSLUDKH-VIFPVBQESA-N -1 3 347.196 2.847 20 10 EFCDHM COC(=O)[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CCO1 ZINC001248880824 1314990903 /nfs/dbraw/zinc/99/09/03/1314990903.db2.gz NMIUBFUYZMLXDK-OAHLLOKOSA-N -1 3 341.835 2.717 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2CCN3C(=O)OC[C@H]3C2)cc1Cl ZINC001248884131 1314992338 /nfs/dbraw/zinc/99/23/38/1314992338.db2.gz XNXQILNUKZXTNS-GFCCVEGCSA-N -1 3 338.835 2.980 20 10 EFCDHM Cc1cc(CN2CCC[C@H](F)C(=O)C2)c([O-])cc1Br ZINC001250120643 1315174653 /nfs/dbraw/zinc/17/46/53/1315174653.db2.gz LHAYPZJEJDHGDE-LBPRGKRZSA-N -1 3 330.197 2.966 20 10 EFCDHM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(C)c(Br)cc1[O-] ZINC001250120951 1315175182 /nfs/dbraw/zinc/17/51/82/1315175182.db2.gz WABBERRQTFPENX-JQWIXIFHSA-N -1 3 346.196 2.549 20 10 EFCDHM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(C)c(Br)cc1[O-] ZINC001250120952 1315175409 /nfs/dbraw/zinc/17/54/09/1315175409.db2.gz WABBERRQTFPENX-PWSUYJOCSA-N -1 3 346.196 2.549 20 10 EFCDHM Cc1cc(CN2CCc3ncncc3C2)c([O-])cc1Br ZINC001250129031 1315176540 /nfs/dbraw/zinc/17/65/40/1315176540.db2.gz UXXGCRLBLKEYRV-UHFFFAOYSA-N -1 3 334.217 2.811 20 10 EFCDHM CN1CCO[C@@]2(CCCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001276804440 1315305714 /nfs/dbraw/zinc/30/57/14/1315305714.db2.gz FIAKMEQNYYHTJL-INIZCTEOSA-N -1 3 345.270 2.996 20 10 EFCDHM O=[N+]([O-])c1cc(-c2nc3c([nH]2)c(F)c(F)cc3F)cc(O)c1[O-] ZINC001251027160 1315311707 /nfs/dbraw/zinc/31/17/07/1315311707.db2.gz LIGKJVLEFQUYBP-UHFFFAOYSA-N -1 3 325.202 2.967 20 10 EFCDHM CCC[C@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001252793656 1315508767 /nfs/dbraw/zinc/50/87/67/1315508767.db2.gz PXQOXLWENMXAFP-NSHDSACASA-N -1 3 325.364 2.741 20 10 EFCDHM CC(C)[C@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001253771422 1315636773 /nfs/dbraw/zinc/63/67/73/1315636773.db2.gz INLUNVRLKDSQGM-QGZVFWFLSA-N -1 3 325.364 2.596 20 10 EFCDHM COc1cc(OC)cc(-c2nnc(-c3ccc(O)c(O)c3[O-])o2)c1 ZINC001253829593 1315643444 /nfs/dbraw/zinc/64/34/44/1315643444.db2.gz LUVJNAQOGFSTKA-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM Cc1nnc(CN(C)Cc2cc(Br)ccc2[O-])s1 ZINC000827798324 1316017222 /nfs/dbraw/zinc/01/72/22/1316017222.db2.gz GDKONLLSGXEAEB-UHFFFAOYSA-N -1 3 328.235 2.947 20 10 EFCDHM O=C(CN[C@@H]1COc2ccc(Cl)cc2C1)c1ccc([O-])c(O)c1 ZINC001257949704 1316105122 /nfs/dbraw/zinc/10/51/22/1316105122.db2.gz AWTCCDMSGXPLIW-ZDUSSCGKSA-N -1 3 333.771 2.527 20 10 EFCDHM Cc1cccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1O ZINC001259082724 1316206719 /nfs/dbraw/zinc/20/67/19/1316206719.db2.gz OVNYJNMEJCGZHT-UHFFFAOYSA-N -1 3 331.315 2.596 20 10 EFCDHM CN(C)c1cccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC001259369961 1316233898 /nfs/dbraw/zinc/23/38/98/1316233898.db2.gz DKFOTDKAALTBQQ-UHFFFAOYSA-N -1 3 342.424 2.739 20 10 EFCDHM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)ccc1O ZINC001259430962 1316242485 /nfs/dbraw/zinc/24/24/85/1316242485.db2.gz NSGLLVDLGCIUIS-UHFFFAOYSA-N -1 3 345.323 2.803 20 10 EFCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])C1CCCC1 ZINC001259804879 1316281310 /nfs/dbraw/zinc/28/13/10/1316281310.db2.gz VOLBRRXUAOOEQQ-UHFFFAOYSA-N -1 3 340.832 2.956 20 10 EFCDHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001260811046 1316370699 /nfs/dbraw/zinc/37/06/99/1316370699.db2.gz AZKOURFALIOSDO-UHFFFAOYSA-N -1 3 334.397 2.768 20 10 EFCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCC3(CCCCC3)CC1)cc2=O ZINC000738704432 1321980207 /nfs/dbraw/zinc/98/02/07/1321980207.db2.gz USNUXNNYTMFGSE-UHFFFAOYSA-N -1 3 344.415 2.679 20 10 EFCDHM CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc[n-]c1=O ZINC001340072171 1332135847 /nfs/dbraw/zinc/13/58/47/1332135847.db2.gz FDQBDBCQHGPWMI-UHFFFAOYSA-N -1 3 343.427 2.958 20 10 EFCDHM CCOc1ccc(N2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC001344098135 1332402679 /nfs/dbraw/zinc/40/26/79/1332402679.db2.gz IULCOMZCNLIWQH-OAHLLOKOSA-N -1 3 342.443 2.773 20 10 EFCDHM CN(Cc1cn(C)nn1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC001350479471 1333087314 /nfs/dbraw/zinc/08/73/14/1333087314.db2.gz HSAWKKOOAPOHDN-UHFFFAOYSA-N -1 3 326.400 2.778 20 10 EFCDHM O=C(NCc1cc(Br)cs1)c1cccc(O)c1[O-] ZINC000126178191 1417192913 /nfs/dbraw/zinc/19/29/13/1417192913.db2.gz WONLAEGMPPFVLH-UHFFFAOYSA-N -1 3 328.187 2.852 20 10 EFCDHM CN(C)c1ccc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825976961 1443493012 /nfs/dbraw/zinc/49/30/12/1443493012.db2.gz TVPJPSHXTALLHU-UHFFFAOYSA-N -1 3 340.406 2.704 20 10 EFCDHM CN(C)c1ccc(CN(C)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825976961 1443493013 /nfs/dbraw/zinc/49/30/13/1443493013.db2.gz TVPJPSHXTALLHU-UHFFFAOYSA-N -1 3 340.406 2.704 20 10 EFCDHM Cc1cc(Cl)cc(CNCc2ccc(-c3nn[n-]n3)cc2F)c1O ZINC000826267391 1446199997 /nfs/dbraw/zinc/19/99/97/1446199997.db2.gz CXYHALJNSRUREO-UHFFFAOYSA-N -1 3 347.781 2.963 20 10 EFCDHM CN(C)c1ccc([C@H](CNC(=O)c2ccc([O-])c(F)c2)N(C)C)cc1 ZINC000891246402 714133545 /nfs/dbraw/zinc/13/35/45/714133545.db2.gz CDJXHPWLRCPXFZ-KRWDZBQOSA-N -1 3 345.418 2.630 20 10 EFCDHM COc1c([O-])ccc(CN(C)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000893459525 715689034 /nfs/dbraw/zinc/68/90/34/715689034.db2.gz AKDNZTYUODEKSQ-UHFFFAOYSA-N -1 3 332.312 2.674 20 10 EFCDHM CCOc1ccc(-n2c(C)cc(C(=O)CO[N-]C(C)=O)c2C)cc1 ZINC000178194703 718300118 /nfs/dbraw/zinc/30/01/18/718300118.db2.gz DYCGKZHSSQSJQS-UHFFFAOYSA-N -1 3 330.384 2.743 20 10 EFCDHM Cc1nsc(N2CCCN(Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC000894062134 720259100 /nfs/dbraw/zinc/25/91/00/720259100.db2.gz QHNGXZOZXVWBRS-UHFFFAOYSA-N -1 3 340.399 2.543 20 10 EFCDHM COC(=O)[C@@]1(C)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894075407 720269031 /nfs/dbraw/zinc/26/90/31/720269031.db2.gz CIEQQSFEACDBKY-AWEZNQCLSA-N -1 3 346.196 2.679 20 10 EFCDHM Oc1ccc(-c2csc([N-]c3ncnc4n[nH]cc43)n2)cc1O ZINC000163277706 724663344 /nfs/dbraw/zinc/66/33/44/724663344.db2.gz VXBPZWDLDRPZQT-UHFFFAOYSA-N -1 3 326.341 2.631 20 10 EFCDHM Cn1ncc2c1ncnc2[N-]c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000163277978 724663363 /nfs/dbraw/zinc/66/33/63/724663363.db2.gz PQEOKHBNIXIPAW-UHFFFAOYSA-N -1 3 340.368 2.642 20 10 EFCDHM Cn1ccnc1COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000186964901 720489870 /nfs/dbraw/zinc/48/98/70/720489870.db2.gz UDVJWURFDYLAKB-UHFFFAOYSA-N -1 3 339.351 2.663 20 10 EFCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1-c1cccc(F)c1 ZINC000193153436 720877744 /nfs/dbraw/zinc/87/77/44/720877744.db2.gz YGTJDNPKOLVVKQ-UHFFFAOYSA-N -1 3 327.315 2.983 20 10 EFCDHM COC(=O)C[C@](C)(NCc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC000894491929 722757021 /nfs/dbraw/zinc/75/70/21/722757021.db2.gz VUKPYBWSOKEQHJ-KRWDZBQOSA-N -1 3 336.338 2.634 20 10 EFCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000894540750 722776355 /nfs/dbraw/zinc/77/63/55/722776355.db2.gz MWOSVTBNAPKKLF-KRWDZBQOSA-N -1 3 346.377 2.903 20 10 EFCDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC000894580866 722787553 /nfs/dbraw/zinc/78/75/53/722787553.db2.gz XIWVVIHSSBYEAR-UHFFFAOYSA-N -1 3 338.314 2.612 20 10 EFCDHM COC(=O)[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1C ZINC000896143294 723150288 /nfs/dbraw/zinc/15/02/88/723150288.db2.gz UROSBMQPSHZJAS-KWQFWETISA-N -1 3 346.196 2.535 20 10 EFCDHM Cc1cnc(OC2CCN(Cc3cc(F)cc(F)c3[O-])CC2)nc1 ZINC000895188174 723848557 /nfs/dbraw/zinc/84/85/57/723848557.db2.gz OONJJCCDTVURFL-UHFFFAOYSA-N -1 3 335.354 2.812 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@]1(C)CO ZINC000895345475 724053691 /nfs/dbraw/zinc/05/36/91/724053691.db2.gz USLSGUXCMNQBML-OTYXRUKQSA-N -1 3 332.213 2.744 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@]1(C)CO ZINC000895345476 724053815 /nfs/dbraw/zinc/05/38/15/724053815.db2.gz USLSGUXCMNQBML-XPTSAGLGSA-N -1 3 332.213 2.744 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1CO ZINC000895376261 724087661 /nfs/dbraw/zinc/08/76/61/724087661.db2.gz HRJDCKHMKLWCLP-KOLCDFICSA-N -1 3 332.213 2.744 20 10 EFCDHM COC(=O)[C@H]1CN(Cc2cc(F)cc(F)c2[O-])Cc2ccccc21 ZINC000895412497 724122795 /nfs/dbraw/zinc/12/27/95/724122795.db2.gz XRUIQZSVMXTFNS-HNNXBMFYSA-N -1 3 333.334 2.943 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCN(Cc2ccc(O)cc2)CC1 ZINC000895450684 724139524 /nfs/dbraw/zinc/13/95/24/724139524.db2.gz AQQUZOGRNBRRKE-UHFFFAOYSA-N -1 3 334.366 2.694 20 10 EFCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC000840998521 725527669 /nfs/dbraw/zinc/52/76/69/725527669.db2.gz HTCJANXVPGIEJJ-CQSZACIVSA-N -1 3 328.206 2.760 20 10 EFCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC000840998521 725527671 /nfs/dbraw/zinc/52/76/71/725527671.db2.gz HTCJANXVPGIEJJ-CQSZACIVSA-N -1 3 328.206 2.760 20 10 EFCDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1C ZINC000151877026 725854577 /nfs/dbraw/zinc/85/45/77/725854577.db2.gz QISXBZXYUABFAV-UHFFFAOYSA-N -1 3 334.397 2.768 20 10 EFCDHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C ZINC000915186128 726892204 /nfs/dbraw/zinc/89/22/04/726892204.db2.gz KHRLNZILFNNGGC-UHFFFAOYSA-N -1 3 335.381 2.842 20 10 EFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1F ZINC000058507578 728187934 /nfs/dbraw/zinc/18/79/34/728187934.db2.gz LZXONXNQLNSIEW-UHFFFAOYSA-N -1 3 344.358 2.648 20 10 EFCDHM CC[C@H](C)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000324793421 729470061 /nfs/dbraw/zinc/47/00/61/729470061.db2.gz MNRKNGZRDXALAJ-IYNGYCSASA-N -1 3 333.388 2.613 20 10 EFCDHM CC[C@H](C)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000324793423 729470138 /nfs/dbraw/zinc/47/01/38/729470138.db2.gz MNRKNGZRDXALAJ-VGVVRCBHSA-N -1 3 333.388 2.613 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+]C[C@H](C(=O)[O-])C(C)C)c1[O-] ZINC000848640572 955774269 /nfs/dbraw/zinc/77/42/69/955774269.db2.gz SAGOQOXEUFLAJN-LBPRGKRZSA-N -1 3 330.222 2.910 20 10 EFCDHM COc1cc(O)c(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1OC ZINC001594066700 958139701 /nfs/dbraw/zinc/13/97/01/958139701.db2.gz TZYUNDNJUJFHKS-OAHLLOKOSA-N -1 3 343.379 2.593 20 10 EFCDHM COc1cc(C)c(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001574181501 962811242 /nfs/dbraw/zinc/81/12/42/962811242.db2.gz AQKRKHVZFDTRQL-IBGZPJMESA-N -1 3 329.396 2.841 20 10 EFCDHM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000779491377 978783703 /nfs/dbraw/zinc/78/37/03/978783703.db2.gz OEPSDPMOILAYBG-GOSISDBHSA-N -1 3 344.386 2.578 20 10 EFCDHM Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000840997428 979299231 /nfs/dbraw/zinc/29/92/31/979299231.db2.gz IBLKRMDCKPFKOD-GFCCVEGCSA-N -1 3 328.206 2.902 20 10 EFCDHM Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000840997428 979299235 /nfs/dbraw/zinc/29/92/35/979299235.db2.gz IBLKRMDCKPFKOD-GFCCVEGCSA-N -1 3 328.206 2.902 20 10 EFCDHM CN(C)c1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000901941599 980642262 /nfs/dbraw/zinc/64/22/62/980642262.db2.gz XQYGCQLQTVWODB-GOSISDBHSA-N -1 3 343.383 2.750 20 10 EFCDHM C[C@H]([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1[O-] ZINC001599901231 984832857 /nfs/dbraw/zinc/83/28/57/984832857.db2.gz BGIWAZWPBLOMMU-NSHDSACASA-N -1 3 346.339 2.615 20 10 EFCDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC001594567973 986364955 /nfs/dbraw/zinc/36/49/55/986364955.db2.gz HFSVYHYKJBSKSE-CQSZACIVSA-N -1 3 326.396 2.801 20 10 EFCDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1[O-] ZINC001594567973 986364964 /nfs/dbraw/zinc/36/49/64/986364964.db2.gz HFSVYHYKJBSKSE-CQSZACIVSA-N -1 3 326.396 2.801 20 10 EFCDHM CN(C)c1ccc(CN2CCC(c3cc(C(=O)[O-])on3)CC2)cc1 ZINC001598317723 991307920 /nfs/dbraw/zinc/30/79/20/991307920.db2.gz KNDKGNRLUKKRSS-UHFFFAOYSA-N -1 3 329.400 2.818 20 10 EFCDHM COc1nc(C)cc(C)c1CN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599729492 991686929 /nfs/dbraw/zinc/68/69/29/991686929.db2.gz RQRWDHWAELHQKR-LBPRGKRZSA-N -1 3 330.384 2.962 20 10 EFCDHM C[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC001593198183 994168844 /nfs/dbraw/zinc/16/88/44/994168844.db2.gz OCOFJHVDFQLDGV-GHMZBOCLSA-N -1 3 343.383 2.993 20 10 EFCDHM C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593230167 994359066 /nfs/dbraw/zinc/35/90/66/994359066.db2.gz BNQXQGMBIMWVSY-YPMHNXCESA-N -1 3 345.374 2.554 20 10 EFCDHM C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234255 994398636 /nfs/dbraw/zinc/39/86/36/994398636.db2.gz WUJOYAVRHJKKMR-QMTHXVAHSA-N -1 3 331.343 2.884 20 10 EFCDHM C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248678 994474028 /nfs/dbraw/zinc/47/40/28/994474028.db2.gz VHRNIALMOYHHFS-JSGCOSHPSA-N -1 3 347.386 2.731 20 10 EFCDHM C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273875 994621813 /nfs/dbraw/zinc/62/18/13/994621813.db2.gz ZMKUPDHFALGJLA-QMMMGPOBSA-N -1 3 339.285 2.658 20 10 EFCDHM C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275687 994629953 /nfs/dbraw/zinc/62/99/53/994629953.db2.gz UOJMOZUMLUUUMT-GFCCVEGCSA-N -1 3 329.400 2.517 20 10 EFCDHM C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)[O-] ZINC001593710309 996208404 /nfs/dbraw/zinc/20/84/04/996208404.db2.gz KXDMPONSJCLSKM-KUHUBIRLSA-N -1 3 329.396 2.791 20 10 EFCDHM C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)[O-] ZINC001593710309 996208409 /nfs/dbraw/zinc/20/84/09/996208409.db2.gz KXDMPONSJCLSKM-KUHUBIRLSA-N -1 3 329.396 2.791 20 10 EFCDHM COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001598872680 996744462 /nfs/dbraw/zinc/74/44/62/996744462.db2.gz AFGMQYPXVFLGJJ-GFCCVEGCSA-N -1 3 343.379 2.657 20 10 EFCDHM COc1cc(C)c(C[N@H+](CCc2ccccc2)CC(=O)[O-])c([O-])c1 ZINC001599391431 997044641 /nfs/dbraw/zinc/04/46/41/997044641.db2.gz XIDUIDXQPYOSIE-UHFFFAOYSA-N -1 3 329.396 2.839 20 10 EFCDHM COc1cc(C)c(C[N@@H+](CCc2ccccc2)CC(=O)[O-])c([O-])c1 ZINC001599391431 997044651 /nfs/dbraw/zinc/04/46/51/997044651.db2.gz XIDUIDXQPYOSIE-UHFFFAOYSA-N -1 3 329.396 2.839 20 10 EFCDHM COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599515342 997374812 /nfs/dbraw/zinc/37/48/12/997374812.db2.gz CMDZEDGLWPIIJH-SWLSCSKDSA-N -1 3 345.395 2.526 20 10 EFCDHM COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599515343 997375106 /nfs/dbraw/zinc/37/51/06/997375106.db2.gz CMDZEDGLWPIIJH-WFASDCNBSA-N -1 3 345.395 2.526 20 10 EFCDHM COc1ccc([C@@H](NCc2ccc(N(C)C)c(C)c2)C(=O)[O-])cc1O ZINC001599531213 997656575 /nfs/dbraw/zinc/65/65/75/997656575.db2.gz IHYGBNNAKYVCIH-GOSISDBHSA-N -1 3 344.411 2.691 20 10 EFCDHM COc1ccc(CN[C@H](C)c2cc(C(=O)[O-])ccc2O)c(OC)c1 ZINC001599571170 998367833 /nfs/dbraw/zinc/36/78/33/998367833.db2.gz NLRLIDGCIPEUNX-LLVKDONJSA-N -1 3 331.368 2.958 20 10 EFCDHM Brc1cnc(Sc2nccs2)c(-c2nnn[n-]2)c1 ZINC001588324780 1092924339 /nfs/dbraw/zinc/92/43/39/1092924339.db2.gz IUAHEISJJVRJMY-UHFFFAOYSA-N -1 3 341.219 2.632 20 10 EFCDHM Brc1cnc(Sc2nccs2)c(-c2nn[n-]n2)c1 ZINC001588324780 1092924351 /nfs/dbraw/zinc/92/43/51/1092924351.db2.gz IUAHEISJJVRJMY-UHFFFAOYSA-N -1 3 341.219 2.632 20 10 EFCDHM C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956452 1093193635 /nfs/dbraw/zinc/19/36/35/1093193635.db2.gz OZPAGISPTAIVSM-STQMWFEESA-N -1 3 343.431 2.715 20 10 EFCDHM C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961467 1093197023 /nfs/dbraw/zinc/19/70/23/1093197023.db2.gz CZLQGECPKSMSSY-RYUDHWBXSA-N -1 3 331.420 2.571 20 10 EFCDHM C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962883 1093198451 /nfs/dbraw/zinc/19/84/51/1093198451.db2.gz UTOAPXYOEKTRSE-HEHGZKQESA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962890 1093198534 /nfs/dbraw/zinc/19/85/34/1093198534.db2.gz UTOAPXYOEKTRSE-ZENOOKHLSA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)c1ccc(N(C)C)cc1 ZINC001589987692 1093210781 /nfs/dbraw/zinc/21/07/81/1093210781.db2.gz HHDNAHLXLYPIKN-JTQLQIEISA-N -1 3 327.367 2.640 20 10 EFCDHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)c1ccc(N(C)C)cc1 ZINC001589987692 1093210787 /nfs/dbraw/zinc/21/07/87/1093210787.db2.gz HHDNAHLXLYPIKN-JTQLQIEISA-N -1 3 327.367 2.640 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465103 1093434536 /nfs/dbraw/zinc/43/45/36/1093434536.db2.gz IEBOOYJZAINBLP-KCXAZCMYSA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465705 1093436494 /nfs/dbraw/zinc/43/64/94/1093436494.db2.gz IHLMXZZTFHIGLZ-GVAFMPQTSA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465207 1093436817 /nfs/dbraw/zinc/43/68/17/1093436817.db2.gz HAQIMEYBXFPRAD-MRXNPFEDSA-N -1 3 338.415 2.825 20 10 EFCDHM CC[C@H]([NH2+]CCCc1ccco1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466660 1093438163 /nfs/dbraw/zinc/43/81/63/1093438163.db2.gz LLUIUELHNURUKE-HNNXBMFYSA-N -1 3 327.388 2.839 20 10 EFCDHM CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469038 1093442407 /nfs/dbraw/zinc/44/24/07/1093442407.db2.gz XIKUSHYHTAXZLP-IUODEOHRSA-N -1 3 331.420 2.572 20 10 EFCDHM COc1ccc(N(Cc2ccncc2-c2nnn[n-]2)C(C)C)cc1F ZINC001591608148 1093793659 /nfs/dbraw/zinc/79/36/59/1093793659.db2.gz NOUUFUHDVFICLD-UHFFFAOYSA-N -1 3 342.378 2.824 20 10 EFCDHM COc1ccc(N(Cc2ccncc2-c2nn[n-]n2)C(C)C)cc1F ZINC001591608148 1093793662 /nfs/dbraw/zinc/79/36/62/1093793662.db2.gz NOUUFUHDVFICLD-UHFFFAOYSA-N -1 3 342.378 2.824 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC001591606665 1093793773 /nfs/dbraw/zinc/79/37/73/1093793773.db2.gz UMNDGLXLLDMLEA-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC001591606665 1093793779 /nfs/dbraw/zinc/79/37/79/1093793779.db2.gz UMNDGLXLLDMLEA-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM COc1ccc(N(C)CCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001591606632 1093793860 /nfs/dbraw/zinc/79/38/60/1093793860.db2.gz RZJAXDJUPBQQDH-UHFFFAOYSA-N -1 3 327.363 2.693 20 10 EFCDHM COc1ccc(N(C)CCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001591606632 1093793866 /nfs/dbraw/zinc/79/38/66/1093793866.db2.gz RZJAXDJUPBQQDH-UHFFFAOYSA-N -1 3 327.363 2.693 20 10 EFCDHM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccc2F)cc1OC ZINC001591606513 1093794035 /nfs/dbraw/zinc/79/40/35/1093794035.db2.gz JSDNJKVEMURBER-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM COc1ccc(N(C)Cc2cc(-c3nn[n-]n3)ccc2F)cc1OC ZINC001591606513 1093794040 /nfs/dbraw/zinc/79/40/40/1093794040.db2.gz JSDNJKVEMURBER-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2C)cc1OC ZINC001591606692 1093795138 /nfs/dbraw/zinc/79/51/38/1093795138.db2.gz WJOIPKLFRNGIAY-UHFFFAOYSA-N -1 3 339.399 2.829 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2C)cc1OC ZINC001591606692 1093795143 /nfs/dbraw/zinc/79/51/43/1093795143.db2.gz WJOIPKLFRNGIAY-UHFFFAOYSA-N -1 3 339.399 2.829 20 10 EFCDHM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1ccccc1O ZINC001591728281 1093843827 /nfs/dbraw/zinc/84/38/27/1093843827.db2.gz MSXYCNVOBGQLBH-XFBWCDHKSA-N -1 3 349.394 2.553 20 10 EFCDHM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1ccccc1O ZINC001591728281 1093843834 /nfs/dbraw/zinc/84/38/34/1093843834.db2.gz MSXYCNVOBGQLBH-XFBWCDHKSA-N -1 3 349.394 2.553 20 10 EFCDHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2O)cccc1-c1nnn[n-]1 ZINC001591827597 1093874577 /nfs/dbraw/zinc/87/45/77/1093874577.db2.gz VIZDWACDRZZNFU-NSHDSACASA-N -1 3 338.371 2.763 20 10 EFCDHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2O)cccc1-c1nn[n-]n1 ZINC001591827597 1093874582 /nfs/dbraw/zinc/87/45/82/1093874582.db2.gz VIZDWACDRZZNFU-NSHDSACASA-N -1 3 338.371 2.763 20 10 EFCDHM Cc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c(Cl)n1 ZINC001592165614 1094010299 /nfs/dbraw/zinc/01/02/99/1094010299.db2.gz OJAOMYXWLRPRBR-SNVBAGLBSA-N -1 3 344.806 2.780 20 10 EFCDHM Cc1nsc(NCc2ccc3c(c2)CCCN3C)c1-c1nnn[n-]1 ZINC001592493191 1094112466 /nfs/dbraw/zinc/11/24/66/1094112466.db2.gz QKQJOPRSJJNZRH-UHFFFAOYSA-N -1 3 341.444 2.626 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001593539421 1094350370 /nfs/dbraw/zinc/35/03/70/1094350370.db2.gz PZKXHXFFTPQPSW-UHFFFAOYSA-N -1 3 333.754 2.655 20 10 EFCDHM O=C([O-])c1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC001602261042 1096146332 /nfs/dbraw/zinc/14/63/32/1096146332.db2.gz GXGWDYQIBISYSJ-UHFFFAOYSA-N -1 3 346.452 2.697 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603552027 1096549743 /nfs/dbraw/zinc/54/97/43/1096549743.db2.gz NTTVNWFQQLKISS-DTWKUNHWSA-N -1 3 329.326 2.811 20 10 EFCDHM C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658022 1096581766 /nfs/dbraw/zinc/58/17/66/1096581766.db2.gz RLUAEEMBASNCAW-AMIZOPFISA-N -1 3 342.230 2.807 20 10 EFCDHM C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658578 1096582439 /nfs/dbraw/zinc/58/24/39/1096582439.db2.gz TYGPVNTXQNANDR-QWRGUYRKSA-N -1 3 333.461 2.897 20 10 EFCDHM C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603665043 1096583164 /nfs/dbraw/zinc/58/31/64/1096583164.db2.gz XHCLNPKUOLVQID-SNVBAGLBSA-N -1 3 344.806 2.514 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055180 1096712479 /nfs/dbraw/zinc/71/24/79/1096712479.db2.gz NTHAYNSERPRTOR-LEWSCRJBSA-N -1 3 339.403 2.516 20 10 EFCDHM C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326217 1096811471 /nfs/dbraw/zinc/81/14/71/1096811471.db2.gz ROZLQZBJSSOQKD-YOEHRIQHSA-N -1 3 342.439 2.914 20 10 EFCDHM C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC001604329479 1096813443 /nfs/dbraw/zinc/81/34/43/1096813443.db2.gz LTISVUKQNWJUBD-CYBMUJFWSA-N -1 3 341.411 2.740 20 10 EFCDHM C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001604347696 1096823030 /nfs/dbraw/zinc/82/30/30/1096823030.db2.gz HIMYUZIKSNIJQS-QMMMGPOBSA-N -1 3 343.305 2.694 20 10 EFCDHM COc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c(C)c1 ZINC001605283983 1097081535 /nfs/dbraw/zinc/08/15/35/1097081535.db2.gz XCXXDLUXMPVIID-LBPRGKRZSA-N -1 3 339.399 2.740 20 10 EFCDHM Cc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)ncc1-c1nnn[n-]1 ZINC001605689129 1097195184 /nfs/dbraw/zinc/19/51/84/1097195184.db2.gz NUEKFWWHCOXJNJ-UHFFFAOYSA-N -1 3 349.442 2.805 20 10 EFCDHM Cc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)ncc1-c1nn[n-]n1 ZINC001605689129 1097195189 /nfs/dbraw/zinc/19/51/89/1097195189.db2.gz NUEKFWWHCOXJNJ-UHFFFAOYSA-N -1 3 349.442 2.805 20 10 EFCDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)Cc1ccccc1O ZINC001605798437 1097228829 /nfs/dbraw/zinc/22/88/29/1097228829.db2.gz WOAWSXHROVQXGG-UHFFFAOYSA-N -1 3 338.371 2.545 20 10 EFCDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)Cc1ccccc1O ZINC001605798437 1097228838 /nfs/dbraw/zinc/22/88/38/1097228838.db2.gz WOAWSXHROVQXGG-UHFFFAOYSA-N -1 3 338.371 2.545 20 10 EFCDHM COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001606805962 1097457993 /nfs/dbraw/zinc/45/79/93/1097457993.db2.gz WJYJHAXUXFNMLM-CZUORRHYSA-N -1 3 329.396 2.999 20 10 EFCDHM COc1ccc(N2CCCN(Cc3ccoc3C(=O)[O-])CC2)cc1 ZINC001607269162 1097580836 /nfs/dbraw/zinc/58/08/36/1097580836.db2.gz DODNNCQPICSEGY-UHFFFAOYSA-N -1 3 330.384 2.699 20 10 EFCDHM COc1ccc(N2CC[C@@H](NCc3ccc(C(=O)[O-])cc3F)C2)cc1 ZINC001607269414 1097580898 /nfs/dbraw/zinc/58/08/98/1097580898.db2.gz KLKUARRXVAVSFZ-OAHLLOKOSA-N -1 3 344.386 2.901 20 10 EFCDHM Cc1cc(CN2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])ccc1N(C)C ZINC001607641307 1097686560 /nfs/dbraw/zinc/68/65/60/1097686560.db2.gz DLSOLHQLEHDAHA-LJQANCHMSA-N -1 3 340.423 2.778 20 10 EFCDHM Cn1c(CN(Cc2ccccc2O)C[C@H]2CCCO2)ccc1C(=O)[O-] ZINC001608086082 1097830402 /nfs/dbraw/zinc/83/04/02/1097830402.db2.gz YGWRJLAPQRPSBS-MRXNPFEDSA-N -1 3 344.411 2.610 20 10 EFCDHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc(N(C)C)c(F)c2)n1 ZINC001609396684 1098286221 /nfs/dbraw/zinc/28/62/21/1098286221.db2.gz GXLTZQQQBATKSC-UHFFFAOYSA-N -1 3 341.394 2.696 20 10 EFCDHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccc(N(C)C)c(F)c2)n1 ZINC001609396684 1098286224 /nfs/dbraw/zinc/28/62/24/1098286224.db2.gz GXLTZQQQBATKSC-UHFFFAOYSA-N -1 3 341.394 2.696 20 10 EFCDHM Cc1nc(N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1-c1nnn[n-]1 ZINC001609451985 1098330132 /nfs/dbraw/zinc/33/01/32/1098330132.db2.gz WMSRXCUERGJQET-UHFFFAOYSA-N -1 3 349.442 2.805 20 10 EFCDHM Cc1nc(N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1-c1nn[n-]n1 ZINC001609451985 1098330137 /nfs/dbraw/zinc/33/01/37/1098330137.db2.gz WMSRXCUERGJQET-UHFFFAOYSA-N -1 3 349.442 2.805 20 10 EFCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])NC(=O)OC(C)(C)C ZINC001609747708 1098445138 /nfs/dbraw/zinc/44/51/38/1098445138.db2.gz APSVAPDZJDDTQU-MNOVXSKESA-N -1 3 338.404 2.654 20 10 EFCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H](O)Cc1ccccc1 ZINC001609772353 1098452321 /nfs/dbraw/zinc/45/23/21/1098452321.db2.gz CENKOOXOHPZZMH-VEVIJQCQSA-N -1 3 329.396 2.733 20 10 EFCDHM CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC001610044553 1098529363 /nfs/dbraw/zinc/52/93/63/1098529363.db2.gz ZHORZKMKMAKKNN-QGZVFWFLSA-N -1 3 331.368 2.715 20 10 EFCDHM CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC001610044552 1098529771 /nfs/dbraw/zinc/52/97/71/1098529771.db2.gz ZHORZKMKMAKKNN-KRWDZBQOSA-N -1 3 331.368 2.715 20 10 EFCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001610356927 1098637123 /nfs/dbraw/zinc/63/71/23/1098637123.db2.gz PYMCKBJWQJQAMQ-IBGZPJMESA-N -1 3 327.380 2.629 20 10 EFCDHM COc1cccc([O-])c1C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001610356927 1098637128 /nfs/dbraw/zinc/63/71/28/1098637128.db2.gz PYMCKBJWQJQAMQ-IBGZPJMESA-N -1 3 327.380 2.629 20 10 EFCDHM Cc1cc(CN[C@@](C)(CC(=O)[O-])c2ccccn2)ccc1N(C)C ZINC001610461809 1098693050 /nfs/dbraw/zinc/69/30/50/1098693050.db2.gz UHLKQBDEGPRMOG-IBGZPJMESA-N -1 3 327.428 2.936 20 10 EFCDHM COCCNC(=O)C1(N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000840822675 1101752086 /nfs/dbraw/zinc/75/20/86/1101752086.db2.gz NWLJJMNGCAGJOV-VIFPVBQESA-N -1 3 347.242 2.645 20 10 EFCDHM CC(C)C(=O)N1CCC[C@]12CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142520832 1106112486 /nfs/dbraw/zinc/11/24/86/1106112486.db2.gz QCWDDZVKBPGWTI-GOSISDBHSA-N -1 3 338.398 2.893 20 10 EFCDHM [O-]c1cc(F)c(F)cc1CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC001142525097 1106166378 /nfs/dbraw/zinc/16/63/78/1106166378.db2.gz XFYFQGNWALILAG-UHFFFAOYSA-N -1 3 330.378 2.988 20 10 EFCDHM CC(C)CC(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000176353059 1108390752 /nfs/dbraw/zinc/39/07/52/1108390752.db2.gz MPTQIVREIPKMCD-UHFFFAOYSA-N -1 3 342.461 2.566 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H](C(F)(F)F)C1 ZINC000698954274 1108408461 /nfs/dbraw/zinc/40/84/61/1108408461.db2.gz YFDDBOMCGMTKLV-NSHDSACASA-N -1 3 340.139 2.918 20 10 EFCDHM Nc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000097894939 1108617844 /nfs/dbraw/zinc/61/78/44/1108617844.db2.gz UZZOPVYOSQPKIL-UHFFFAOYSA-N -1 3 328.796 2.582 20 10 EFCDHM [O-]c1c(CNc2ccc3nncn3n2)cc(Cl)c2cccnc12 ZINC001168522218 1111995759 /nfs/dbraw/zinc/99/57/59/1111995759.db2.gz BHASXWDFADVQPQ-UHFFFAOYSA-N -1 3 326.747 2.644 20 10 EFCDHM COc1cc([O-])c(CN2CC3(C2)CCCO3)c(Br)c1 ZINC001237066557 1118579085 /nfs/dbraw/zinc/57/90/85/1118579085.db2.gz XCBWSVLSDQOYMN-UHFFFAOYSA-N -1 3 328.206 2.528 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc3oc(N(C)C)nc3c2)c([O-])c1O ZINC000182824326 1118662905 /nfs/dbraw/zinc/66/29/05/1118662905.db2.gz DGPWJMZVRBOONJ-UHFFFAOYSA-N -1 3 327.340 2.866 20 10 EFCDHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000055130168 214277617 /nfs/dbraw/zinc/27/76/17/214277617.db2.gz RWNYVTDZTDRFJO-UHFFFAOYSA-N -1 3 341.411 2.689 20 10 EFCDHM NC(=O)c1csc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000160202249 239044338 /nfs/dbraw/zinc/04/43/38/239044338.db2.gz WIFAFYOKDPYHCG-OAHLLOKOSA-N -1 3 346.452 2.734 20 10 EFCDHM NC(=O)c1csc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000160202100 239045782 /nfs/dbraw/zinc/04/57/82/239045782.db2.gz WIFAFYOKDPYHCG-HNNXBMFYSA-N -1 3 346.452 2.734 20 10 EFCDHM CCOC(=O)N1CCN(Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000023381743 212372648 /nfs/dbraw/zinc/37/26/48/212372648.db2.gz MYSQAPGENMPUFM-UHFFFAOYSA-N -1 3 344.411 2.828 20 10 EFCDHM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(O)c1[O-] ZINC000193147175 240089247 /nfs/dbraw/zinc/08/92/47/240089247.db2.gz OSNAXMKWDNTKLZ-CJNGLKHVSA-N -1 3 327.380 2.996 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnsn1 ZINC000266563809 240479229 /nfs/dbraw/zinc/47/92/29/240479229.db2.gz WBYGUDXQRHBYAQ-UHFFFAOYSA-N -1 3 342.218 2.669 20 10 EFCDHM [O-]c1ccc(F)c(CNCc2ccc(N3CCOCC3)cc2)c1F ZINC000294135873 241033150 /nfs/dbraw/zinc/03/31/50/241033150.db2.gz HEUXZINWTODDPB-UHFFFAOYSA-N -1 3 334.366 2.797 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)c([O-])c1O ZINC000367962066 242398572 /nfs/dbraw/zinc/39/85/72/242398572.db2.gz HGCYSKDCYIWTQH-UHFFFAOYSA-N -1 3 335.791 2.733 20 10 EFCDHM COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc(OC)c1[O-] ZINC000162498862 533542941 /nfs/dbraw/zinc/54/29/41/533542941.db2.gz GTBVGQHSVYLZMD-UHFFFAOYSA-N -1 3 348.374 2.545 20 10 EFCDHM Cc1ccc(C(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)c([O-])c1O ZINC000364029755 292074275 /nfs/dbraw/zinc/07/42/75/292074275.db2.gz ODNVPZLOOLCQCX-CQSZACIVSA-N -1 3 329.400 2.991 20 10 EFCDHM COc1ccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000085795064 544513327 /nfs/dbraw/zinc/51/33/27/544513327.db2.gz ALTRSJTWHQRYOP-QGZVFWFLSA-N -1 3 328.412 2.977 20 10 EFCDHM C[C@@H]1CN(c2ccc(CNCc3c([O-])cccc3Cl)cn2)CCO1 ZINC000113322521 544568736 /nfs/dbraw/zinc/56/87/36/544568736.db2.gz LFHZOSCMCNAWAX-CYBMUJFWSA-N -1 3 347.846 2.956 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000267447222 277105972 /nfs/dbraw/zinc/10/59/72/277105972.db2.gz KLVKGBRKFGSJLP-GXTWGEPZSA-N -1 3 335.297 2.622 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC1)OCc1ccccc12 ZINC000365752980 280208979 /nfs/dbraw/zinc/20/89/79/280208979.db2.gz KHXDQLLOCCKWOI-UHFFFAOYSA-N -1 3 325.364 2.760 20 10 EFCDHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000024192735 472049029 /nfs/dbraw/zinc/04/90/29/472049029.db2.gz CBGBUUFFBPZHDD-UHFFFAOYSA-N -1 3 340.423 2.809 20 10 EFCDHM CCCCCNC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096971096 472402803 /nfs/dbraw/zinc/40/28/03/472402803.db2.gz VCCRLRDEHXATIW-QGZVFWFLSA-N -1 3 334.460 2.680 20 10 EFCDHM CCCOc1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000128333637 472437264 /nfs/dbraw/zinc/43/72/64/472437264.db2.gz DPQBBNPVTMWEFN-UHFFFAOYSA-N -1 3 334.460 2.871 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H]1CCCCNC1=O ZINC000119216558 472537363 /nfs/dbraw/zinc/53/73/63/472537363.db2.gz RIDDXXUPUMLQAZ-ZDUSSCGKSA-N -1 3 341.249 2.645 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(Cn3ccnn3)CC2)c1[O-] ZINC000155630270 472583834 /nfs/dbraw/zinc/58/38/34/472583834.db2.gz SACORKSJRMTUQI-UHFFFAOYSA-N -1 3 348.834 2.752 20 10 EFCDHM O=C(c1ccc(O)cc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000130967904 472641487 /nfs/dbraw/zinc/64/14/87/472641487.db2.gz OXVOPCSODYFYMO-UHFFFAOYSA-N -1 3 346.814 2.709 20 10 EFCDHM CCCc1noc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000072629272 472688828 /nfs/dbraw/zinc/68/88/28/472688828.db2.gz VRSUHGIGEAPZBC-OAHLLOKOSA-N -1 3 331.416 2.909 20 10 EFCDHM CCCc1noc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000072629271 472688909 /nfs/dbraw/zinc/68/89/09/472688909.db2.gz VRSUHGIGEAPZBC-HNNXBMFYSA-N -1 3 331.416 2.909 20 10 EFCDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)on1 ZINC000134258378 472890236 /nfs/dbraw/zinc/89/02/36/472890236.db2.gz LJMHIPOYJNONEM-CQSZACIVSA-N -1 3 349.818 2.736 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ncccc1C ZINC000093193230 473060083 /nfs/dbraw/zinc/06/00/83/473060083.db2.gz QYRSIUATZAUPEQ-UHFFFAOYSA-N -1 3 334.803 2.924 20 10 EFCDHM CCOCc1ccc(CNC(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000109769735 473119416 /nfs/dbraw/zinc/11/94/16/473119416.db2.gz LVHWLLUGQBEVLS-UHFFFAOYSA-N -1 3 342.439 2.677 20 10 EFCDHM CCCc1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)no1 ZINC000109761700 473120710 /nfs/dbraw/zinc/12/07/10/473120710.db2.gz XQEBDURKPVIKTB-HNNXBMFYSA-N -1 3 331.416 2.909 20 10 EFCDHM C[C@@H]1CCCCN1C(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000123482191 473146233 /nfs/dbraw/zinc/14/62/33/473146233.db2.gz KXDGKFVKKSRSBE-AEFFLSMTSA-N -1 3 346.471 2.774 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCO1 ZINC000075416612 473184707 /nfs/dbraw/zinc/18/47/07/473184707.db2.gz BAIAUVGDQDNAKK-ZDUSSCGKSA-N -1 3 328.206 2.682 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCCO1 ZINC000111238274 473197834 /nfs/dbraw/zinc/19/78/34/473197834.db2.gz SDXGJJDDPFRMPZ-AWEZNQCLSA-N -1 3 327.808 2.590 20 10 EFCDHM COC(=O)c1coc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000111232940 473197942 /nfs/dbraw/zinc/19/79/42/473197942.db2.gz GPPXSANBSRRJMU-MRXNPFEDSA-N -1 3 345.395 2.953 20 10 EFCDHM CCS(=O)(=O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185331348 473396465 /nfs/dbraw/zinc/39/64/65/473396465.db2.gz ZASLFMABULAAQD-MRVPVSSYSA-N -1 3 326.245 2.784 20 10 EFCDHM CCO[C@H]1C[C@@H](O)C12CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000191394975 473534797 /nfs/dbraw/zinc/53/47/97/473534797.db2.gz KAMMYISJZUBXGG-CABCVRRESA-N -1 3 343.826 2.937 20 10 EFCDHM C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186021435 473572671 /nfs/dbraw/zinc/57/26/71/473572671.db2.gz CCAKYJLDQUQCTK-KCJUWKMLSA-N -1 3 336.741 2.859 20 10 EFCDHM C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186021388 473573145 /nfs/dbraw/zinc/57/31/45/473573145.db2.gz CCAKYJLDQUQCTK-GZMMTYOYSA-N -1 3 336.741 2.859 20 10 EFCDHM Cc1ccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c([O-])c1O ZINC000186437929 473674342 /nfs/dbraw/zinc/67/43/42/473674342.db2.gz NXQRXZVKCNASRB-IBGZPJMESA-N -1 3 325.364 2.678 20 10 EFCDHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179453447 473688967 /nfs/dbraw/zinc/68/89/67/473688967.db2.gz HJVWMKWARVMFNV-KGLIPLIRSA-N -1 3 348.443 2.563 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c([O-])c1O ZINC000179476953 473689905 /nfs/dbraw/zinc/68/99/05/473689905.db2.gz WBXHKGOAJSMXAM-UHFFFAOYSA-N -1 3 346.358 2.634 20 10 EFCDHM COC(=O)[C@@H]1CCCN1Cc1cc(Br)cc(C)c1[O-] ZINC000179660974 473706206 /nfs/dbraw/zinc/70/62/06/473706206.db2.gz DBSWGZXFALJEJC-LBPRGKRZSA-N -1 3 328.206 2.601 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000186760605 473750179 /nfs/dbraw/zinc/75/01/79/473750179.db2.gz ZXFWCMZMNBCWQS-UHFFFAOYSA-N -1 3 346.814 2.709 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)c([O-])c1O ZINC000186884168 473775344 /nfs/dbraw/zinc/77/53/44/473775344.db2.gz NRAHYNWPGCDOAW-OAHLLOKOSA-N -1 3 349.333 2.898 20 10 EFCDHM COc1ccc(CN(CCO)Cc2cc(F)ccc2[O-])c(OC)c1 ZINC000180147844 473810136 /nfs/dbraw/zinc/81/01/36/473810136.db2.gz SIHKCWODJNBSHL-UHFFFAOYSA-N -1 3 335.375 2.543 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000180174426 473819292 /nfs/dbraw/zinc/81/92/92/473819292.db2.gz MJFODLDSOVWVCT-UHFFFAOYSA-N -1 3 335.810 2.898 20 10 EFCDHM C[C@H]1CN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CCO1 ZINC000187111164 473820601 /nfs/dbraw/zinc/82/06/01/473820601.db2.gz OMPIWHBORCVGMI-LBPRGKRZSA-N -1 3 328.368 2.575 20 10 EFCDHM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187114050 473820795 /nfs/dbraw/zinc/82/07/95/473820795.db2.gz INVIHYHJGBAXRB-ZDUSSCGKSA-N -1 3 343.354 2.972 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000180263874 473842001 /nfs/dbraw/zinc/84/20/01/473842001.db2.gz YYCSJMBBHDOEFJ-ZBFHGGJFSA-N -1 3 337.416 2.917 20 10 EFCDHM COC(=O)CN(Cc1ncc(C)s1)Cc1cc(Cl)ccc1[O-] ZINC000180583822 473912944 /nfs/dbraw/zinc/91/29/44/473912944.db2.gz KWWWQYYIELXPBD-UHFFFAOYSA-N -1 3 340.832 2.986 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000274947048 474024695 /nfs/dbraw/zinc/02/46/95/474024695.db2.gz HGJHHYXTKASVLF-AWEZNQCLSA-N -1 3 341.363 2.846 20 10 EFCDHM C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000188228128 474025413 /nfs/dbraw/zinc/02/54/13/474025413.db2.gz UGPPMGDSAWDYOW-BETUJISGSA-N -1 3 342.395 2.964 20 10 EFCDHM O=C(/C=C/c1ccc(N2CCOCC2)cc1)[N-]OCc1ccccc1 ZINC000264621433 474062862 /nfs/dbraw/zinc/06/28/62/474062862.db2.gz JOWSIQQWJHCHDL-DHZHZOJOSA-N -1 3 338.407 2.784 20 10 EFCDHM CCOc1nnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000264628514 474065972 /nfs/dbraw/zinc/06/59/72/474065972.db2.gz UIKHYQZXILYLDO-AWEZNQCLSA-N -1 3 349.456 2.824 20 10 EFCDHM CCCN(Cc1noc(CCCC(=O)OC)n1)Cc1ccccc1[O-] ZINC000264742947 474112504 /nfs/dbraw/zinc/11/25/04/474112504.db2.gz ULOZWLIPLUASGD-UHFFFAOYSA-N -1 3 347.415 2.683 20 10 EFCDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1O ZINC000182548417 474203635 /nfs/dbraw/zinc/20/36/35/474203635.db2.gz FHLXIFMVFGGCME-MCFWBGNESA-N -1 3 347.436 2.977 20 10 EFCDHM C[C@@H](N[C@@H](C)c1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000275808225 474326917 /nfs/dbraw/zinc/32/69/17/474326917.db2.gz ZFXFGWCHKDHOEE-BDAKNGLRSA-N -1 3 325.210 2.695 20 10 EFCDHM C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289612059 474344578 /nfs/dbraw/zinc/34/45/78/474344578.db2.gz LGTCXYRFNKOACA-SMDDNHRTSA-N -1 3 345.270 2.994 20 10 EFCDHM CC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](O)C(F)(F)F ZINC000270996984 474359853 /nfs/dbraw/zinc/35/98/53/474359853.db2.gz PKWFHXJBJLZSJI-KCJUWKMLSA-N -1 3 342.701 2.745 20 10 EFCDHM COc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])c(OC)c1 ZINC000271274474 474469290 /nfs/dbraw/zinc/46/92/90/474469290.db2.gz MRCUYSKBVXDYHQ-UHFFFAOYSA-N -1 3 331.368 2.696 20 10 EFCDHM COC(=O)[C@H](NCc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000276408222 474532810 /nfs/dbraw/zinc/53/28/10/474532810.db2.gz DYVXLSJSBWBAFG-GFCCVEGCSA-N -1 3 328.206 2.504 20 10 EFCDHM Cc1cc(Br)cc(CN2CCC[C@@]23CCOC3=O)c1[O-] ZINC000190038641 474541378 /nfs/dbraw/zinc/54/13/78/474541378.db2.gz XXRQNSIKKNZABD-HNNXBMFYSA-N -1 3 340.217 2.745 20 10 EFCDHM CCCOc1ccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c([O-])c1 ZINC000190156234 474556437 /nfs/dbraw/zinc/55/64/37/474556437.db2.gz PDCDNXKQXMHAGP-JKSUJKDBSA-N -1 3 347.415 2.834 20 10 EFCDHM COc1c([O-])c(CN(Cc2ccccn2)C2CC2)ccc1[N+](=O)[O-] ZINC000290637253 474581537 /nfs/dbraw/zinc/58/15/37/474581537.db2.gz YGRSLOXQZJEVIB-UHFFFAOYSA-N -1 3 329.356 2.869 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC(N3CCCC3=O)CC2)c1[O-] ZINC000184688792 474584374 /nfs/dbraw/zinc/58/43/74/474584374.db2.gz IHEZRFJFIDJTQJ-UHFFFAOYSA-N -1 3 338.835 2.641 20 10 EFCDHM CCOCCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277543727 474588633 /nfs/dbraw/zinc/58/86/33/474588633.db2.gz ZIQPCODGBJQRGG-UHFFFAOYSA-N -1 3 340.807 2.627 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[C@H](C)[S@@](=O)CC2)c1[O-] ZINC000277629199 474591204 /nfs/dbraw/zinc/59/12/04/474591204.db2.gz MTWDURLLDLMAOK-WLRWDXFRSA-N -1 3 346.290 2.806 20 10 EFCDHM COc1ccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)nc1 ZINC000271926489 474597935 /nfs/dbraw/zinc/59/79/35/474597935.db2.gz LKYOXZQRSJTGDP-SFHVURJKSA-N -1 3 328.412 2.977 20 10 EFCDHM Cn1ccnc1[C@H](O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271896718 474597953 /nfs/dbraw/zinc/59/79/53/474597953.db2.gz YKULVMDSJJMJQA-MRXNPFEDSA-N -1 3 335.835 2.725 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291266712 474599655 /nfs/dbraw/zinc/59/96/55/474599655.db2.gz QKQCFQNOTVJYGU-HXUWFJFHSA-N -1 3 341.407 2.555 20 10 EFCDHM COc1c([O-])c(CN2CCN(c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000278209882 474604144 /nfs/dbraw/zinc/60/41/44/474604144.db2.gz JZYJEZVGRHZPOE-UHFFFAOYSA-N -1 3 349.412 2.693 20 10 EFCDHM COCCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(C)c1 ZINC000272536213 474615608 /nfs/dbraw/zinc/61/56/08/474615608.db2.gz BEASLHFNGJPTCO-UHFFFAOYSA-N -1 3 331.368 2.992 20 10 EFCDHM Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1[O-] ZINC000272605598 474619395 /nfs/dbraw/zinc/61/93/95/474619395.db2.gz QISTYDKZBSMQFG-UHFFFAOYSA-N -1 3 340.423 2.809 20 10 EFCDHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000272717718 474624253 /nfs/dbraw/zinc/62/42/53/474624253.db2.gz GLBQWNKYJSMBKB-HNNXBMFYSA-N -1 3 343.379 2.625 20 10 EFCDHM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000272934127 474644173 /nfs/dbraw/zinc/64/41/73/474644173.db2.gz GMZYWBSPMCCPRH-SGTLLEGYSA-N -1 3 345.395 2.921 20 10 EFCDHM COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(C)o1 ZINC000278468685 474653748 /nfs/dbraw/zinc/65/37/48/474653748.db2.gz GUIWRISEDRMQNZ-GFCCVEGCSA-N -1 3 336.344 2.688 20 10 EFCDHM Cc1cc(C)nc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000273002413 474665074 /nfs/dbraw/zinc/66/50/74/474665074.db2.gz ZQGGFUXTRMQOMQ-UHFFFAOYSA-N -1 3 332.835 2.775 20 10 EFCDHM COc1ccc(OCCN(C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000267590181 474675335 /nfs/dbraw/zinc/67/53/35/474675335.db2.gz MVIDJYQKNZYXJA-UHFFFAOYSA-N -1 3 331.368 2.566 20 10 EFCDHM COc1cccc2c1CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2 ZINC000278525945 474682159 /nfs/dbraw/zinc/68/21/59/474682159.db2.gz TYNLSGUXKMTTSQ-UHFFFAOYSA-N -1 3 344.367 2.876 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(C)COC1 ZINC000273060496 474698530 /nfs/dbraw/zinc/69/85/30/474698530.db2.gz LIAYJUBDUREPJS-UHFFFAOYSA-N -1 3 328.206 2.540 20 10 EFCDHM CCOc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278563275 474705144 /nfs/dbraw/zinc/70/51/44/474705144.db2.gz BNCKZCVNMMGPFM-UHFFFAOYSA-N -1 3 332.356 2.998 20 10 EFCDHM C[C@H](NCc1nnc2n1CCC2)c1cc(Br)ccc1[O-] ZINC000273082851 474706961 /nfs/dbraw/zinc/70/69/61/474706961.db2.gz MQUPPPIECVZPEP-VIFPVBQESA-N -1 3 337.221 2.543 20 10 EFCDHM COc1c([O-])c(CNCc2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000278568128 474707918 /nfs/dbraw/zinc/70/79/18/474707918.db2.gz CFBBZJARPUYWHT-UHFFFAOYSA-N -1 3 349.362 2.804 20 10 EFCDHM CCn1cnnc1CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000273391095 474875699 /nfs/dbraw/zinc/87/56/99/474875699.db2.gz KRIHGXJFTRVBQZ-VIFPVBQESA-N -1 3 325.210 2.617 20 10 EFCDHM COc1ccc(OC)c(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278884664 474893880 /nfs/dbraw/zinc/89/38/80/474893880.db2.gz OQKZELUSMWTYLD-UHFFFAOYSA-N -1 3 348.355 2.616 20 10 EFCDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCc1ccccc1 ZINC000273434822 474895111 /nfs/dbraw/zinc/89/51/11/474895111.db2.gz WPPITYHXYWIODG-STQMWFEESA-N -1 3 343.383 2.656 20 10 EFCDHM C[C@@H](NCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432182 474895249 /nfs/dbraw/zinc/89/52/49/474895249.db2.gz VYARQVOBYFYCLW-LLVKDONJSA-N -1 3 330.340 2.922 20 10 EFCDHM COc1c([O-])c(CN[C@@H]2CCc3c2cccc3O)ccc1[N+](=O)[O-] ZINC000278897412 474901074 /nfs/dbraw/zinc/90/10/74/474901074.db2.gz QQPYVQKRVLMRBZ-CYBMUJFWSA-N -1 3 330.340 2.792 20 10 EFCDHM COCCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278909457 474909781 /nfs/dbraw/zinc/90/97/81/474909781.db2.gz SGLBHRMWQJEQTD-UHFFFAOYSA-N -1 3 348.355 2.946 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](O)C(C)C ZINC000292235047 474916145 /nfs/dbraw/zinc/91/61/45/474916145.db2.gz RGIBIPCHCGYYOO-ZDUSSCGKSA-N -1 3 330.222 2.520 20 10 EFCDHM COc1c([O-])c(CNc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000278946030 474934931 /nfs/dbraw/zinc/93/49/31/474934931.db2.gz YRLMACXKJUJEIO-UHFFFAOYSA-N -1 3 332.312 2.692 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CC(OCCCc2ccccc2)C1 ZINC000279066540 474957281 /nfs/dbraw/zinc/95/72/81/474957281.db2.gz CNXWJMDDXNWVOY-UHFFFAOYSA-N -1 3 327.380 2.572 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCC(=O)N(C)C2CCCCC2)c1 ZINC000273551164 474958633 /nfs/dbraw/zinc/95/86/33/474958633.db2.gz FZDYKJGAVXNANJ-ZDUSSCGKSA-N -1 3 348.443 2.621 20 10 EFCDHM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(O)c1[O-] ZINC000279831376 474995672 /nfs/dbraw/zinc/99/56/72/474995672.db2.gz BCDQVZNGOZFDBU-XJKSGUPXSA-N -1 3 331.343 2.887 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000279852330 474996942 /nfs/dbraw/zinc/99/69/42/474996942.db2.gz PCXOONZUQYMMIZ-ZDUSSCGKSA-N -1 3 337.379 2.752 20 10 EFCDHM C[C@@H](NCC(=O)NCC(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000280427994 475026363 /nfs/dbraw/zinc/02/63/63/475026363.db2.gz BROJDSRVGNEKLH-ZCFIWIBFSA-N -1 3 327.158 2.731 20 10 EFCDHM Cc1ccoc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000292460411 475037115 /nfs/dbraw/zinc/03/71/15/475037115.db2.gz LSJMCSVFQBYBEM-UHFFFAOYSA-N -1 3 334.759 2.911 20 10 EFCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000268824206 475044453 /nfs/dbraw/zinc/04/44/53/475044453.db2.gz KVOVKCKJJYFKIT-QVQLBTGDSA-N -1 3 334.397 2.889 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)c([O-])c1O ZINC000293855633 475054780 /nfs/dbraw/zinc/05/47/80/475054780.db2.gz DACWBTAGKRCLBU-CYBMUJFWSA-N -1 3 344.386 2.896 20 10 EFCDHM CNC(=O)CC[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286389660 475063084 /nfs/dbraw/zinc/06/30/84/475063084.db2.gz IWINXQZJMRPMGK-HNNXBMFYSA-N -1 3 336.407 2.615 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c([O-])c1O ZINC000292594925 475107126 /nfs/dbraw/zinc/10/71/26/475107126.db2.gz HMRRXRCCCGYHFB-ZDUSSCGKSA-N -1 3 342.395 2.884 20 10 EFCDHM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000292616190 475117125 /nfs/dbraw/zinc/11/71/25/475117125.db2.gz RMSOXLAQKXTZIK-UHFFFAOYSA-N -1 3 325.364 2.794 20 10 EFCDHM C[C@@H](NCC1(S(C)(=O)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000281230274 475126100 /nfs/dbraw/zinc/12/61/00/475126100.db2.gz UQSNEBVLNOLFGQ-MRVPVSSYSA-N -1 3 338.256 2.927 20 10 EFCDHM COc1c([O-])c(CN2CC[C@@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370528731 476855752 /nfs/dbraw/zinc/85/57/52/476855752.db2.gz PSYPPUWXHDVFDA-OAHLLOKOSA-N -1 3 344.367 2.962 20 10 EFCDHM Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000371412745 477301674 /nfs/dbraw/zinc/30/16/74/477301674.db2.gz XONNJXBCLPFKTI-UHFFFAOYSA-N -1 3 349.818 2.736 20 10 EFCDHM Cc1ccc(C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)c([O-])c1O ZINC000371575341 477394181 /nfs/dbraw/zinc/39/41/81/477394181.db2.gz OMNXSLBUDBCWNT-UHFFFAOYSA-N -1 3 333.334 2.999 20 10 EFCDHM CCOC[C@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)CCO1 ZINC000530107181 477876921 /nfs/dbraw/zinc/87/69/21/477876921.db2.gz QBMHSCKHSYRKDY-MRXNPFEDSA-N -1 3 331.412 2.791 20 10 EFCDHM C[C@@H](NC(c1nccn1C)c1nccn1C)c1cc(Cl)ccc1[O-] ZINC000527942902 478579242 /nfs/dbraw/zinc/57/92/42/478579242.db2.gz APDFNUHLAYCUPW-LLVKDONJSA-N -1 3 345.834 2.953 20 10 EFCDHM C[C@H](NC(c1nccn1C)c1nccn1C)c1cc(Cl)ccc1[O-] ZINC000527942903 478579768 /nfs/dbraw/zinc/57/97/68/478579768.db2.gz APDFNUHLAYCUPW-NSHDSACASA-N -1 3 345.834 2.953 20 10 EFCDHM COc1cccc([C@H](CNC(=O)c2ccc(C)c(O)c2[O-])OC)c1 ZINC000529578608 479212503 /nfs/dbraw/zinc/21/25/03/479212503.db2.gz SEDZZMGHENRJDL-HNNXBMFYSA-N -1 3 331.368 2.532 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)c([O-])c1O ZINC000177680905 534262488 /nfs/dbraw/zinc/26/24/88/534262488.db2.gz YZMFZMFNNYQOSY-HNNXBMFYSA-N -1 3 331.343 2.759 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000177100803 527205714 /nfs/dbraw/zinc/20/57/14/527205714.db2.gz ISTZNQLEVNBNIE-LBPRGKRZSA-N -1 3 339.819 2.833 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C3OCCO3)CC2)c1[O-] ZINC000177097613 527207239 /nfs/dbraw/zinc/20/72/39/527207239.db2.gz XXQSEYOJPZKNCI-UHFFFAOYSA-N -1 3 339.819 2.833 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC(c3nc(C)no3)CC2)c1[O-] ZINC000177263288 527209411 /nfs/dbraw/zinc/20/94/11/527209411.db2.gz AKNYPRBAJRMMOM-UHFFFAOYSA-N -1 3 333.363 2.805 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnns1 ZINC000175849030 528764646 /nfs/dbraw/zinc/76/46/46/528764646.db2.gz IHVYTOBKNLJPTQ-UHFFFAOYSA-N -1 3 342.218 2.669 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCOC1 ZINC000175842714 528765293 /nfs/dbraw/zinc/76/52/93/528765293.db2.gz YDZLVSSYPGOWJP-LLVKDONJSA-N -1 3 342.233 2.930 20 10 EFCDHM COc1ccc(N2CCCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC000192549530 536671596 /nfs/dbraw/zinc/67/15/96/536671596.db2.gz HJSJCFUCOANLEN-HNNXBMFYSA-N -1 3 342.443 2.773 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn3ccccc3n2)c1 ZINC000756364275 575723754 /nfs/dbraw/zinc/72/37/54/575723754.db2.gz SMOIJUJZZSZZKM-GFCCVEGCSA-N -1 3 325.368 2.677 20 10 EFCDHM COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])cc1F ZINC000756367767 575724381 /nfs/dbraw/zinc/72/43/81/575724381.db2.gz WKHBFBTXTQPNBP-QGZVFWFLSA-N -1 3 332.375 2.816 20 10 EFCDHM C[C@@H](NCc1ccc(NC(N)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756393844 575730054 /nfs/dbraw/zinc/73/00/54/575730054.db2.gz VHSJGVPIYHKPQF-SNVBAGLBSA-N -1 3 330.344 2.642 20 10 EFCDHM C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756396916 575730285 /nfs/dbraw/zinc/73/02/85/575730285.db2.gz NEWUJXWWFBWWRE-GFCCVEGCSA-N -1 3 349.381 2.753 20 10 EFCDHM C[C@H](NCc1ccc(N2CCOCC2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756396917 575730318 /nfs/dbraw/zinc/73/03/18/575730318.db2.gz NEWUJXWWFBWWRE-LBPRGKRZSA-N -1 3 349.381 2.753 20 10 EFCDHM CCN(CC)C(=O)CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000756457268 575742173 /nfs/dbraw/zinc/74/21/73/575742173.db2.gz PPMJEYMXKPQPPQ-SNVBAGLBSA-N -1 3 329.238 2.674 20 10 EFCDHM CCN(CC)C(=O)CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756459878 575742652 /nfs/dbraw/zinc/74/26/52/575742652.db2.gz YJNAHQZTIOVKTO-VIFPVBQESA-N -1 3 347.228 2.813 20 10 EFCDHM C[C@@H](NCc1nccn1C)c1cc(Br)c(F)cc1[O-] ZINC000756539687 575757497 /nfs/dbraw/zinc/75/74/97/575757497.db2.gz RELIVDPCDUBIFK-MRVPVSSYSA-N -1 3 328.185 2.878 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CO)c2ccc(F)cc2)c1 ZINC000756711083 575779874 /nfs/dbraw/zinc/77/98/74/575779874.db2.gz IGYCKRFCMFHETK-BDJLRTHQSA-N -1 3 333.359 2.702 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CO)c2ccccc2OC)c1 ZINC000756711096 575780003 /nfs/dbraw/zinc/78/00/03/575780003.db2.gz IOJRWNZHJDQIGV-MLGOLLRUSA-N -1 3 345.395 2.572 20 10 EFCDHM C[C@H](NCc1ccc([S@@](C)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756737845 575782410 /nfs/dbraw/zinc/78/24/10/575782410.db2.gz CJWNILYGVLVYMP-BSNNYGBQSA-N -1 3 334.397 2.889 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc([S@@](C)=O)cc2)c1 ZINC000756738945 575782892 /nfs/dbraw/zinc/78/28/92/575782892.db2.gz IJKDPDHFRYWTSX-OIRASMEMSA-N -1 3 347.436 2.767 20 10 EFCDHM C[C@H](NC[C@H](O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756742164 575783105 /nfs/dbraw/zinc/78/31/05/575783105.db2.gz ZXDIEEQPPMKSBS-VFZGTOFNSA-N -1 3 338.310 2.963 20 10 EFCDHM C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756757371 575784403 /nfs/dbraw/zinc/78/44/03/575784403.db2.gz BGQFWEXISPZMRL-WBMJQRKESA-N -1 3 347.415 2.885 20 10 EFCDHM C[C@H](NCC(=O)NCCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756817413 575789468 /nfs/dbraw/zinc/78/94/68/575789468.db2.gz JNRHONVDTYJGEW-LBPRGKRZSA-N -1 3 334.366 2.680 20 10 EFCDHM C[C@H](Nc1cnn(CCO)c1)c1cc(Br)ccc1[O-] ZINC000756856519 575793658 /nfs/dbraw/zinc/79/36/58/575793658.db2.gz RJDPVTNPPJLVAH-VIFPVBQESA-N -1 3 326.194 2.517 20 10 EFCDHM C[C@H](c1ccccn1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000760946527 576091602 /nfs/dbraw/zinc/09/16/02/576091602.db2.gz ABLMGVWJQXXUSJ-LLVKDONJSA-N -1 3 345.786 2.966 20 10 EFCDHM C[C@H](c1cccnc1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000760949763 576092525 /nfs/dbraw/zinc/09/25/25/576092525.db2.gz GUGRVDASHLFXDO-LLVKDONJSA-N -1 3 345.786 2.966 20 10 EFCDHM COc1cc(Cl)cc(CN2CCCC[C@@H]2C2OCCO2)c1[O-] ZINC000761194414 576127902 /nfs/dbraw/zinc/12/79/02/576127902.db2.gz ZWXZSNZZVQBRAU-CYBMUJFWSA-N -1 3 327.808 2.782 20 10 EFCDHM COc1cc(Cl)cc(CN2CCCC[C@H]2C2OCCO2)c1[O-] ZINC000761194417 576127925 /nfs/dbraw/zinc/12/79/25/576127925.db2.gz ZWXZSNZZVQBRAU-ZDUSSCGKSA-N -1 3 327.808 2.782 20 10 EFCDHM CCc1ncc(S(=O)(=O)[N-]CCCSc2nccs2)s1 ZINC000763578645 576381744 /nfs/dbraw/zinc/38/17/44/576381744.db2.gz KMGNWGHPHBFSEE-UHFFFAOYSA-N -1 3 349.528 2.623 20 10 EFCDHM O=C(O[C@H]1CCCN(c2ccccc2F)C1=O)c1cc([O-])cs1 ZINC000763690765 576387607 /nfs/dbraw/zinc/38/76/07/576387607.db2.gz FMPXZIKGDOURQZ-ZDUSSCGKSA-N -1 3 335.356 2.945 20 10 EFCDHM CC1(C)C(=O)Nc2ccc(C(=O)COC(=O)c3cc([O-])cs3)cc21 ZINC000763972753 576416843 /nfs/dbraw/zinc/41/68/43/576416843.db2.gz OKCYWTIIHQAJOQ-UHFFFAOYSA-N -1 3 345.376 2.723 20 10 EFCDHM O=C1N[C@H](c2cc(-c3ccccc3)ccc2[O-])N2CCSC[C@H]12 ZINC000765514577 577049754 /nfs/dbraw/zinc/04/97/54/577049754.db2.gz DFCFBSJDOLXNBR-WBVHZDCISA-N -1 3 326.421 2.605 20 10 EFCDHM Cc1cccc(S(=O)(=O)CCCOC(=O)c2cc([O-])cs2)c1 ZINC000766204882 577121124 /nfs/dbraw/zinc/12/11/24/577121124.db2.gz VRKOPIUDBNQZTL-UHFFFAOYSA-N -1 3 340.422 2.783 20 10 EFCDHM CCCCN(Cc1ccc(OCC)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000768169037 577259003 /nfs/dbraw/zinc/25/90/03/577259003.db2.gz CCOOEQJIHXSVNK-OAHLLOKOSA-N -1 3 341.473 2.580 20 10 EFCDHM CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000768224311 577261476 /nfs/dbraw/zinc/26/14/76/577261476.db2.gz WOHIRGMREIBCBC-UHFFFAOYSA-N -1 3 336.432 2.844 20 10 EFCDHM COc1cccc([O-])c1CN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000768245526 577262729 /nfs/dbraw/zinc/26/27/29/577262729.db2.gz APEAQDJTJCCFAZ-UHFFFAOYSA-N -1 3 336.432 2.844 20 10 EFCDHM CCOc1ccc(CN2CCCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000768252124 577263027 /nfs/dbraw/zinc/26/30/27/577263027.db2.gz XUHQKRZNJPYBBZ-UHFFFAOYSA-N -1 3 332.366 2.861 20 10 EFCDHM O=C(NCc1ccc([O-])c(Br)c1)C1=CC(=O)CS1 ZINC000768295977 577264818 /nfs/dbraw/zinc/26/48/18/577264818.db2.gz NVOWECDZFKDTOO-UHFFFAOYSA-N -1 3 328.187 2.852 20 10 EFCDHM COc1cccc([O-])c1CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000768352607 577267984 /nfs/dbraw/zinc/26/79/84/577267984.db2.gz PBOKXMGBQVYSOB-CYBMUJFWSA-N -1 3 336.432 2.890 20 10 EFCDHM COc1cccc([O-])c1CN(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000768422652 577272692 /nfs/dbraw/zinc/27/26/92/577272692.db2.gz IKMAYWYFSOAIBS-UHFFFAOYSA-N -1 3 340.423 2.925 20 10 EFCDHM Cc1ccccc1[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768444781 577274093 /nfs/dbraw/zinc/27/40/93/577274093.db2.gz CUKMWZDPKXFLMM-ICSRJNTNSA-N -1 3 341.407 2.700 20 10 EFCDHM C[C@]1(c2ccccc2)CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768462724 577275913 /nfs/dbraw/zinc/27/59/13/577275913.db2.gz CFSJHFKWWIYWHK-AZUAARDMSA-N -1 3 341.407 2.566 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCc3c(F)ccc(F)c3C1)[C@H](O)CO2 ZINC000768464762 577276286 /nfs/dbraw/zinc/27/62/86/577276286.db2.gz UWBPFPHEKYVSSY-QGZVFWFLSA-N -1 3 333.334 2.655 20 10 EFCDHM CN(Cc1nnc2ccccn21)Cc1cc(Br)ccc1[O-] ZINC000769202351 577344155 /nfs/dbraw/zinc/34/41/55/577344155.db2.gz HWJKLLATLVFERF-UHFFFAOYSA-N -1 3 347.216 2.829 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000737676230 577344683 /nfs/dbraw/zinc/34/46/83/577344683.db2.gz DBGUBSHPEDJXFB-ZDUSSCGKSA-N -1 3 343.379 2.629 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000737676230 577344685 /nfs/dbraw/zinc/34/46/85/577344685.db2.gz DBGUBSHPEDJXFB-ZDUSSCGKSA-N -1 3 343.379 2.629 20 10 EFCDHM O=S1(=O)CCCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000769400283 577359427 /nfs/dbraw/zinc/35/94/27/577359427.db2.gz ORPHCBDDRBLFLU-UHFFFAOYSA-N -1 3 331.437 2.680 20 10 EFCDHM CCOc1ccc(CN(C)CC(=O)NCc2ccccc2)c([O-])c1 ZINC000769465650 577364194 /nfs/dbraw/zinc/36/41/94/577364194.db2.gz APMQZUZQPXHDPW-UHFFFAOYSA-N -1 3 328.412 2.539 20 10 EFCDHM CCOc1ccc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000769471736 577365026 /nfs/dbraw/zinc/36/50/26/577365026.db2.gz CHVFAHFNAGCEOD-UHFFFAOYSA-N -1 3 349.452 2.826 20 10 EFCDHM CCOc1ccc(CN(C)Cc2nc([C@@H](C)OCC)no2)c([O-])c1 ZINC000769502740 577367901 /nfs/dbraw/zinc/36/79/01/577367901.db2.gz OGEJCOYUCAJZCA-GFCCVEGCSA-N -1 3 335.404 2.903 20 10 EFCDHM CN(CCN1C(=O)c2ccccc2C1=O)Cc1c([O-])cccc1Cl ZINC000769532611 577370771 /nfs/dbraw/zinc/37/07/71/577370771.db2.gz JQNRRNDBNIDWSM-UHFFFAOYSA-N -1 3 344.798 2.774 20 10 EFCDHM CC(=O)N1CCc2c1cccc2NC(=O)c1ccc(C)c(O)c1[O-] ZINC000769631509 577376224 /nfs/dbraw/zinc/37/62/24/577376224.db2.gz SJZDQMAZKNOXAM-UHFFFAOYSA-N -1 3 326.352 2.568 20 10 EFCDHM CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000726797009 577386833 /nfs/dbraw/zinc/38/68/33/577386833.db2.gz QDNSBTNVDBWMSU-INIZCTEOSA-N -1 3 326.352 2.765 20 10 EFCDHM CCOc1ccc(CNCc2nc3cc(OC)ccc3n2C)c([O-])c1 ZINC000769938250 577394437 /nfs/dbraw/zinc/39/44/37/577394437.db2.gz VPUKRXMARFRQHF-UHFFFAOYSA-N -1 3 341.411 2.976 20 10 EFCDHM COC(=O)[C@H](C)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccccc1 ZINC000770501373 577421863 /nfs/dbraw/zinc/42/18/63/577421863.db2.gz FLFFLCQCJXQFNJ-DOMZBBRYSA-N -1 3 343.379 2.686 20 10 EFCDHM COc1cc(CNC(=O)c2ccc(C)c(O)c2[O-])c2ccccc2n1 ZINC000770500669 577421955 /nfs/dbraw/zinc/42/19/55/577421955.db2.gz SWZBEYVISDZMPP-UHFFFAOYSA-N -1 3 338.363 2.893 20 10 EFCDHM COC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1ccccc1[O-] ZINC000770510117 581104571 /nfs/dbraw/zinc/10/45/71/581104571.db2.gz JSNOKHNFDAVYGZ-UHFFFAOYSA-N -1 3 345.395 2.585 20 10 EFCDHM Cc1ncoc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771053634 581169313 /nfs/dbraw/zinc/16/93/13/581169313.db2.gz PCEBIWWAFSNVDL-AWEZNQCLSA-N -1 3 349.818 2.736 20 10 EFCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1OC ZINC000771220241 581189287 /nfs/dbraw/zinc/18/92/87/581189287.db2.gz SHGCWPSAZIUJSP-UHFFFAOYSA-N -1 3 337.397 2.827 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1ccncc1C ZINC000771446097 581212439 /nfs/dbraw/zinc/21/24/39/581212439.db2.gz CODHIFWOIGSVAC-UHFFFAOYSA-N -1 3 348.786 2.564 20 10 EFCDHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2C ZINC000772561725 581340533 /nfs/dbraw/zinc/34/05/33/581340533.db2.gz SBAQWNZETYFSOD-UHFFFAOYSA-N -1 3 348.443 2.995 20 10 EFCDHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cs1 ZINC000772584636 581343889 /nfs/dbraw/zinc/34/38/89/581343889.db2.gz YQPINGQAUGCHAB-MNOVXSKESA-N -1 3 340.445 2.972 20 10 EFCDHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773087262 581395560 /nfs/dbraw/zinc/39/55/60/581395560.db2.gz IHKIBNNBRDGSJV-JTQLQIEISA-N -1 3 325.459 2.557 20 10 EFCDHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773088923 581395813 /nfs/dbraw/zinc/39/58/13/581395813.db2.gz QBJATKKNACTWDX-NSHDSACASA-N -1 3 339.486 2.811 20 10 EFCDHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(=O)[n-]1 ZINC000773991693 581477398 /nfs/dbraw/zinc/47/73/98/581477398.db2.gz ZXYISQMIIISCJQ-LBPRGKRZSA-N -1 3 342.443 2.675 20 10 EFCDHM CCNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774934400 581504550 /nfs/dbraw/zinc/50/45/50/581504550.db2.gz IRRCDABSFKMMID-UHFFFAOYSA-N -1 3 345.355 2.671 20 10 EFCDHM COc1c([O-])c(CNc2ccc3c(c2)CCC(=O)N3)ccc1[N+](=O)[O-] ZINC000774942304 581504731 /nfs/dbraw/zinc/50/47/31/581504731.db2.gz PDRGEMUGWFKFEC-UHFFFAOYSA-N -1 3 343.339 2.806 20 10 EFCDHM Cc1cc(Br)cc(C[NH+]2CCC(C(=O)[O-])CC2)c1[O-] ZINC000820953722 598181447 /nfs/dbraw/zinc/18/14/47/598181447.db2.gz AMDIBIJNBCNIRX-UHFFFAOYSA-N -1 3 328.206 2.760 20 10 EFCDHM COc1cc(OC)cc([C@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])c1 ZINC000832058456 602170652 /nfs/dbraw/zinc/17/06/52/602170652.db2.gz ZPFVAGWUNXOXAZ-SFHVURJKSA-N -1 3 343.379 2.554 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1[O-] ZINC000831354365 604982280 /nfs/dbraw/zinc/98/22/80/604982280.db2.gz ZGHGTPZIRHGQMW-CYBMUJFWSA-N -1 3 343.379 2.771 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1[O-] ZINC000831354365 604982281 /nfs/dbraw/zinc/98/22/81/604982281.db2.gz ZGHGTPZIRHGQMW-CYBMUJFWSA-N -1 3 343.379 2.771 20 10 EFCDHM CCN1C[C@H](C)N(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000833659153 605119641 /nfs/dbraw/zinc/11/96/41/605119641.db2.gz YITUFQWNKMEGJI-KELULYIISA-N -1 3 333.388 2.612 20 10 EFCDHM CCN(C(=O)C=Cc1cnc(C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367711 607797032 /nfs/dbraw/zinc/79/70/32/607797032.db2.gz UKJMGLIJDNMCCV-CMDGGOBGSA-N -1 3 340.412 2.698 20 10 EFCDHM CCN(C(=O)C=Cc1cnc(C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367711 607797033 /nfs/dbraw/zinc/79/70/33/607797033.db2.gz UKJMGLIJDNMCCV-CMDGGOBGSA-N -1 3 340.412 2.698 20 10 EFCDHM O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1c([O-])cccc1F ZINC001273265523 1265212271 /nfs/dbraw/zinc/21/22/71/1265212271.db2.gz HHQZHHMHAANFOC-OAHLLOKOSA-N -1 3 346.324 2.661 20 10 EFCDHM CCN(Cc1cc(Cl)c(C)cc1[O-])[C@H](C)CS(=O)(=O)CC ZINC000824814343 1278297103 /nfs/dbraw/zinc/29/71/03/1278297103.db2.gz PPPLNROSIVOAFL-GFCCVEGCSA-N -1 3 333.881 2.999 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC(F)(F)C(F)F ZINC000736620441 1267672000 /nfs/dbraw/zinc/67/20/00/1267672000.db2.gz UXRMZVIAABEPET-UHFFFAOYSA-N -1 3 343.704 2.921 20 10 EFCDHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccc(O)c1[O-] ZINC000186942723 1268349870 /nfs/dbraw/zinc/34/98/70/1268349870.db2.gz MCDCRZFEQXGHAV-UHFFFAOYSA-N -1 3 328.246 2.686 20 10 EFCDHM C[C@H](NCc1ccc(Br)cc1[O-])c1nnc2n1CCC2 ZINC000701043322 1269841322 /nfs/dbraw/zinc/84/13/22/1269841322.db2.gz LBORYVFOCLTUIV-VIFPVBQESA-N -1 3 337.221 2.543 20 10 EFCDHM O=S1(=O)CCCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000742152564 1269915412 /nfs/dbraw/zinc/91/54/12/1269915412.db2.gz WOCLSWQBAKLYCZ-UHFFFAOYSA-N -1 3 349.452 2.638 20 10 EFCDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000825440559 1278549727 /nfs/dbraw/zinc/54/97/27/1278549727.db2.gz JJOCAAPOHCBYFH-JSGCOSHPSA-N -1 3 327.808 2.506 20 10 EFCDHM CCCC[C@H](NCc1ccc(Br)cc1[O-])C(=O)OC ZINC000825519414 1278580117 /nfs/dbraw/zinc/58/01/17/1278580117.db2.gz FLJFJJXBTZZRKZ-LBPRGKRZSA-N -1 3 330.222 2.976 20 10 EFCDHM O=C1CCCN1[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167134 1278609426 /nfs/dbraw/zinc/60/94/26/1278609426.db2.gz AUQMNTMNFQAZTI-NSHDSACASA-N -1 3 326.799 2.772 20 10 EFCDHM [O-]c1cccc(F)c1CN1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001137832798 1271383225 /nfs/dbraw/zinc/38/32/25/1271383225.db2.gz IBQWJEOKMUOFAH-QWHCGFSZSA-N -1 3 325.277 2.759 20 10 EFCDHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3c([O-])cccc3F)C2)C1 ZINC001137833208 1271453243 /nfs/dbraw/zinc/45/32/43/1271453243.db2.gz WWYMBPVTJNANMY-UHFFFAOYSA-N -1 3 336.407 2.974 20 10 EFCDHM COC(=O)CN(Cc1cc(C)ccn1)Cc1cc(Cl)ccc1[O-] ZINC000792250965 1278671554 /nfs/dbraw/zinc/67/15/54/1278671554.db2.gz YXMZOBQDURTSCM-UHFFFAOYSA-N -1 3 334.803 2.924 20 10 EFCDHM COc1ccc(N(C)CCN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000844401467 1278950916 /nfs/dbraw/zinc/95/09/16/1278950916.db2.gz MCHBBBUWXFZVDS-CQSZACIVSA-N -1 3 330.432 2.628 20 10 EFCDHM CC(C)CN1C[C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCN2C1=O ZINC000787289893 1275734930 /nfs/dbraw/zinc/73/49/30/1275734930.db2.gz ZZZMUAPLFMVKAD-HNNXBMFYSA-N -1 3 337.851 2.623 20 10 EFCDHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000787699109 1275866400 /nfs/dbraw/zinc/86/64/00/1275866400.db2.gz CDZGFPAPTHATSO-UHFFFAOYSA-N -1 3 329.356 2.800 20 10 EFCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788685746 1276258901 /nfs/dbraw/zinc/25/89/01/1276258901.db2.gz KVZOSOMWEBLDGQ-TVQRCGJNSA-N -1 3 329.322 2.529 20 10 EFCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788685744 1276258967 /nfs/dbraw/zinc/25/89/67/1276258967.db2.gz KVZOSOMWEBLDGQ-NOZJJQNGSA-N -1 3 329.322 2.529 20 10 EFCDHM C[C@H](NCc1nnnn1CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788755307 1276290781 /nfs/dbraw/zinc/29/07/81/1276290781.db2.gz RNOCIJAVNARWEL-VIFPVBQESA-N -1 3 341.337 2.658 20 10 EFCDHM O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000187079625 1276753647 /nfs/dbraw/zinc/75/36/47/1276753647.db2.gz FBZHYZRZIBTSEH-CYBMUJFWSA-N -1 3 341.285 2.580 20 10 EFCDHM CN(CCN1CCOC(C)(C)C1)Cc1c([O-])ccc(Cl)c1F ZINC000789765762 1276972886 /nfs/dbraw/zinc/97/28/86/1276972886.db2.gz RIRWIXBGZQTYCT-UHFFFAOYSA-N -1 3 330.831 2.727 20 10 EFCDHM C[C@@H]1CN(CCN(C)Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000789765724 1276973380 /nfs/dbraw/zinc/97/33/80/1276973380.db2.gz PXRXNHXRJPIMFE-TXEJJXNPSA-N -1 3 330.831 2.726 20 10 EFCDHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000790325000 1277427170 /nfs/dbraw/zinc/42/71/70/1277427170.db2.gz GHEWNPMGEUKOGX-HUUCEWRRSA-N -1 3 342.443 2.739 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000790416350 1277527785 /nfs/dbraw/zinc/52/77/85/1277527785.db2.gz UUZCTOOOTOLOAA-UHFFFAOYSA-N -1 3 344.392 2.597 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ccc3ccccc3n2)CC1 ZINC000790538047 1277610020 /nfs/dbraw/zinc/61/00/20/1277610020.db2.gz AVQWRFKELQIQEB-UHFFFAOYSA-N -1 3 349.390 2.608 20 10 EFCDHM CN(C)c1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)cc1 ZINC000790527081 1277630769 /nfs/dbraw/zinc/63/07/69/1277630769.db2.gz BVNVVISKNCIFQL-UHFFFAOYSA-N -1 3 326.396 2.969 20 10 EFCDHM O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000790577655 1277681452 /nfs/dbraw/zinc/68/14/52/1277681452.db2.gz YJKADSUOMFPTIQ-ZDUSSCGKSA-N -1 3 341.285 2.580 20 10 EFCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1c(F)cccc1F ZINC000790919953 1277845145 /nfs/dbraw/zinc/84/51/45/1277845145.db2.gz WQDDKPJJWFHZFK-LRDDRELGSA-N -1 3 337.322 2.618 20 10 EFCDHM CCOc1ccc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000844939778 1279353425 /nfs/dbraw/zinc/35/34/25/1279353425.db2.gz QVJVOVOPOVBJTA-IBGZPJMESA-N -1 3 329.396 2.923 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CCCC2(COC2)C1 ZINC001144292332 1279376609 /nfs/dbraw/zinc/37/66/09/1279376609.db2.gz CEZDNHAYPQIODT-UHFFFAOYSA-N -1 3 330.197 2.906 20 10 EFCDHM C[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])CC[C@H]1O ZINC001144299276 1279386634 /nfs/dbraw/zinc/38/66/34/1279386634.db2.gz ULZFJMGESFAELT-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])CC[C@@H]1O ZINC001144299277 1279388057 /nfs/dbraw/zinc/38/80/57/1279388057.db2.gz ULZFJMGESFAELT-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM CCCN1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306465 1279403795 /nfs/dbraw/zinc/40/37/95/1279403795.db2.gz CXVBXRBZZZRPIK-UHFFFAOYSA-N -1 3 331.229 2.821 20 10 EFCDHM O=c1ccnc2c(NCc3cc(Br)ccc3[O-])cccn12 ZINC001171178219 1279586568 /nfs/dbraw/zinc/58/65/68/1279586568.db2.gz TUMUZGOENSETJL-UHFFFAOYSA-N -1 3 346.184 2.775 20 10 EFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000805184169 1280473143 /nfs/dbraw/zinc/47/31/43/1280473143.db2.gz OSTUAAALCAXFKG-LLVKDONJSA-N -1 3 344.242 2.735 20 10 EFCDHM Cc1ncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001146959903 1281074284 /nfs/dbraw/zinc/07/42/84/1281074284.db2.gz BBOHYOXVKLGWFH-UHFFFAOYSA-N -1 3 328.759 2.622 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccnc1)Cc1ccccn1 ZINC001148214755 1281454065 /nfs/dbraw/zinc/45/40/65/1281454065.db2.gz WNBDWLGHPCDURS-UHFFFAOYSA-N -1 3 335.363 2.730 20 10 EFCDHM C[C@@H]1CCc2sc(NC(=O)c3cccc(O)c3[O-])c(C(N)=O)c2C1 ZINC001148211929 1281454530 /nfs/dbraw/zinc/45/45/30/1281454530.db2.gz CYGUOWQLBXZNDH-MRVPVSSYSA-N -1 3 346.408 2.635 20 10 EFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001148583953 1281661118 /nfs/dbraw/zinc/66/11/18/1281661118.db2.gz IQFHPCXOKIACTA-UHFFFAOYSA-N -1 3 347.411 2.615 20 10 EFCDHM O=C(Nc1ccc(Cl)c2nsnc21)c1cc(O)c([O-])c(O)c1 ZINC001148586698 1281662415 /nfs/dbraw/zinc/66/24/15/1281662415.db2.gz USHJPUJGXKGCLK-UHFFFAOYSA-N -1 3 337.744 2.714 20 10 EFCDHM O=C(Nc1ccc(O)cc1Br)c1cc(O)c([O-])c(O)c1 ZINC001148586528 1281662676 /nfs/dbraw/zinc/66/26/76/1281662676.db2.gz RAYDMNGQECQLKD-UHFFFAOYSA-N -1 3 340.129 2.524 20 10 EFCDHM CN(C)c1ncc(CNCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000809775616 1282434727 /nfs/dbraw/zinc/43/47/27/1282434727.db2.gz FZZODVUQFGPBIB-UHFFFAOYSA-N -1 3 327.215 2.845 20 10 EFCDHM C[C@H](CN(C(=O)c1cccc(O)c1[O-])[C@@H](C)CO)c1ccccc1 ZINC000813670149 1286058087 /nfs/dbraw/zinc/05/80/87/1286058087.db2.gz PTDIRRNEPJGOSN-KGLIPLIRSA-N -1 3 329.396 2.725 20 10 EFCDHM CCOC(=O)N[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816487661 1288157684 /nfs/dbraw/zinc/15/76/84/1288157684.db2.gz UFIKVASUQYFLQD-LLVKDONJSA-N -1 3 330.787 2.895 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCCC[C@@H]1O ZINC001181098755 1289706261 /nfs/dbraw/zinc/70/62/61/1289706261.db2.gz XQIVHPLPBFWRRE-OCCSQVGLSA-N -1 3 334.803 2.761 20 10 EFCDHM CC(C)N1CC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182868978 1290266214 /nfs/dbraw/zinc/26/62/14/1290266214.db2.gz HUXZYIXGRMEYJK-AWEZNQCLSA-N -1 3 333.819 2.693 20 10 EFCDHM CC[C@H](C)N(CC(=O)OC)Cc1ccc(Br)cc1[O-] ZINC000825762999 1290467333 /nfs/dbraw/zinc/46/73/33/1290467333.db2.gz XGNCCQAXAMFCTI-JTQLQIEISA-N -1 3 330.222 2.928 20 10 EFCDHM CC(=O)N(C)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000092538564 1290786119 /nfs/dbraw/zinc/78/61/19/1290786119.db2.gz SHZZGKXLNMIADT-UHFFFAOYSA-N -1 3 341.249 2.597 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CC(F)(C2CC2)C1 ZINC001232974257 1312823145 /nfs/dbraw/zinc/82/31/45/1312823145.db2.gz JMQYALZKPAHJTE-UHFFFAOYSA-N -1 3 347.171 2.931 20 10 EFCDHM COc1ccc(NCc2ccc(C)cc2O)cc1[N-]S(C)(=O)=O ZINC000876841007 1291044998 /nfs/dbraw/zinc/04/49/98/1291044998.db2.gz IMIHBXUFDGNREC-UHFFFAOYSA-N -1 3 336.413 2.693 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@@H]2COC[C@@H]2C1 ZINC001233027586 1312835333 /nfs/dbraw/zinc/83/53/33/1312835333.db2.gz CSGLSVSNSIBSLO-ZJUUUORDSA-N -1 3 330.197 2.762 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@@H]2OCC[C@H]2C1 ZINC001233029166 1312835841 /nfs/dbraw/zinc/83/58/41/1312835841.db2.gz AODZZPWPDOYYFU-XPTSAGLGSA-N -1 3 330.197 2.905 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CCN(CC2CC2)CC1 ZINC001233029672 1312836129 /nfs/dbraw/zinc/83/61/29/1312836129.db2.gz GHCTXGSMUOOMKN-UHFFFAOYSA-N -1 3 343.240 2.821 20 10 EFCDHM C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)CCC[C@H]1O ZINC001233029012 1312836378 /nfs/dbraw/zinc/83/63/78/1312836378.db2.gz YEYKCIPBOXNPPW-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CCN2CCCC[C@@H]2C1 ZINC001233030741 1312836825 /nfs/dbraw/zinc/83/68/25/1312836825.db2.gz LXAKKXOKKOMSHL-GFCCVEGCSA-N -1 3 343.240 2.964 20 10 EFCDHM CCN1CCN(Cc2c([O-])cc(Br)cc2F)C[C@H]1C ZINC001233032498 1312837709 /nfs/dbraw/zinc/83/77/09/1312837709.db2.gz HANKELCDHTVUAX-SNVBAGLBSA-N -1 3 331.229 2.820 20 10 EFCDHM Cc1cc([O-])c(CN2CCC(CS(C)(=O)=O)CC2)cc1Cl ZINC000825986369 1291296824 /nfs/dbraw/zinc/29/68/24/1291296824.db2.gz ACNRCIBTCNYEBR-UHFFFAOYSA-N -1 3 331.865 2.611 20 10 EFCDHM CCOC(=O)C(CC)(CC)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000795723459 1291303783 /nfs/dbraw/zinc/30/37/83/1291303783.db2.gz ZNJSQNKYBPVQHU-UHFFFAOYSA-N -1 3 325.380 2.945 20 10 EFCDHM COc1cc(O[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)ccn1 ZINC001233079408 1312850413 /nfs/dbraw/zinc/85/04/13/1312850413.db2.gz AZJLXCQLHUCEDM-CYBMUJFWSA-N -1 3 336.338 2.727 20 10 EFCDHM O=C1c2ccccc2C(=O)c2cc([N-]S(=O)(=O)CC3CC3)ccc21 ZINC001188926088 1291503893 /nfs/dbraw/zinc/50/38/93/1291503893.db2.gz FIMGBUXURLMVBW-UHFFFAOYSA-N -1 3 341.388 2.614 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@H](C)CC2)cc1Br ZINC001233135189 1312863582 /nfs/dbraw/zinc/86/35/82/1312863582.db2.gz OBXOGBJYJNXQIG-SNVBAGLBSA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1Br ZINC001233136778 1312864154 /nfs/dbraw/zinc/86/41/54/1312864154.db2.gz CCAHTJHRPYOXAX-PTOFAABTSA-N -1 3 330.197 2.953 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC001233335061 1312906319 /nfs/dbraw/zinc/90/63/19/1312906319.db2.gz GBXDUWFDLQITMS-UHFFFAOYSA-N -1 3 330.378 2.988 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1)C1CC1 ZINC001233420017 1312928482 /nfs/dbraw/zinc/92/84/82/1312928482.db2.gz WLQMMZRLHNLYCA-CYBMUJFWSA-N -1 3 342.361 2.902 20 10 EFCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2c1cnn2C ZINC001203655901 1312982517 /nfs/dbraw/zinc/98/25/17/1312982517.db2.gz DQCDSCRTSKWCKC-CYBMUJFWSA-N -1 3 335.835 2.915 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCc2onc(Cn3ccnc3)c2C1 ZINC001203656088 1312982528 /nfs/dbraw/zinc/98/25/28/1312982528.db2.gz HFMDJODXSIKTSW-UHFFFAOYSA-N -1 3 344.802 2.837 20 10 EFCDHM Cc1ccc(=O)[nH]c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193199134 1293195768 /nfs/dbraw/zinc/19/57/68/1293195768.db2.gz DPUPGDUHKOUDIJ-UHFFFAOYSA-N -1 3 343.770 2.933 20 10 EFCDHM Cc1cnccc1O[C@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193233143 1293207896 /nfs/dbraw/zinc/20/78/96/1293207896.db2.gz VHPXHBFUMPDMIB-NSHDSACASA-N -1 3 348.786 2.748 20 10 EFCDHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(O)c(C(C)C)c1 ZINC000882798704 1293325920 /nfs/dbraw/zinc/32/59/20/1293325920.db2.gz AJBVUPLBUGTEHW-OAHLLOKOSA-N -1 3 343.445 2.989 20 10 EFCDHM O=C(Nc1ccccc1-c1nnc[nH]1)c1cc(O)c([O-])c(Cl)c1 ZINC001193624700 1293373201 /nfs/dbraw/zinc/37/32/01/1293373201.db2.gz JRWMORHLSSANGU-UHFFFAOYSA-N -1 3 330.731 2.789 20 10 EFCDHM Cc1ccc(CN2CC[C@@H](NCc3cc(F)cc(F)c3[O-])C2=O)cc1 ZINC000883102139 1293462691 /nfs/dbraw/zinc/46/26/91/1293462691.db2.gz HSWHJOICZLGMOC-QGZVFWFLSA-N -1 3 346.377 2.870 20 10 EFCDHM CC(C)c1nnc(CNCc2cc(Br)cc(F)c2[O-])[nH]1 ZINC000883132998 1293474867 /nfs/dbraw/zinc/47/48/67/1293474867.db2.gz LOURIMRXOXCKAH-UHFFFAOYSA-N -1 3 343.200 2.825 20 10 EFCDHM CCN(Cc1cn(CC)nn1)Cc1cc(Br)ccc1[O-] ZINC000884003438 1293865538 /nfs/dbraw/zinc/86/55/38/1293865538.db2.gz SKLRGNHSNZAXKB-UHFFFAOYSA-N -1 3 339.237 2.788 20 10 EFCDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000775717073 1294229608 /nfs/dbraw/zinc/22/96/08/1294229608.db2.gz QZHXWDSCVGQTAE-UONOGXRCSA-N -1 3 349.855 2.972 20 10 EFCDHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2O)c1 ZINC001196793282 1294367488 /nfs/dbraw/zinc/36/74/88/1294367488.db2.gz SCXCABWBIRHLIQ-UHFFFAOYSA-N -1 3 339.388 2.635 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1O ZINC000136488462 1294643299 /nfs/dbraw/zinc/64/32/99/1294643299.db2.gz JYEKHHHDSQKIIJ-UHFFFAOYSA-N -1 3 346.408 2.628 20 10 EFCDHM COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(Br)ccc1[O-] ZINC000775999289 1295641417 /nfs/dbraw/zinc/64/14/17/1295641417.db2.gz IVPVAGOFHDJWLQ-MFKMUULPSA-N -1 3 342.233 2.928 20 10 EFCDHM CCOC[C@@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749724 1313188639 /nfs/dbraw/zinc/18/86/39/1313188639.db2.gz VLIMTSJWDUTFTI-SECBINFHSA-N -1 3 346.335 2.867 20 10 EFCDHM COC(=O)[C@@]1(C)COCCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235000183 1313219447 /nfs/dbraw/zinc/21/94/47/1313219447.db2.gz PQAATTVGUREUDX-HXUWFJFHSA-N -1 3 341.407 2.823 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCCC2(COC2)C1 ZINC001235058394 1313233400 /nfs/dbraw/zinc/23/34/00/1313233400.db2.gz KKTGEXZHJRDMNR-UHFFFAOYSA-N -1 3 330.197 2.906 20 10 EFCDHM Cc1ncsc1CN1CCC12CN(Cc1cc(F)ccc1[O-])C2 ZINC001275908832 1296446120 /nfs/dbraw/zinc/44/61/20/1296446120.db2.gz KAOYUXVCNKJXSB-UHFFFAOYSA-N -1 3 333.432 2.757 20 10 EFCDHM C[C@H]1CC[C@@H](CO)CN1Cc1cc(F)cc(Br)c1[O-] ZINC001235298416 1313284762 /nfs/dbraw/zinc/28/47/62/1313284762.db2.gz SFGZIBJXERTPNT-VHSXEESVSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@H]1CN(Cc2cc(F)cc(Br)c2[O-])CC[C@]1(C)O ZINC001235299352 1313284807 /nfs/dbraw/zinc/28/48/07/1313284807.db2.gz UJBFDBWWWJZEAS-XPTSAGLGSA-N -1 3 332.213 2.887 20 10 EFCDHM CCCN1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235301090 1313285445 /nfs/dbraw/zinc/28/54/45/1313285445.db2.gz CPVYEFRBTVDFBF-UHFFFAOYSA-N -1 3 331.229 2.821 20 10 EFCDHM CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000188098707 1297821938 /nfs/dbraw/zinc/82/19/38/1297821938.db2.gz FNPGCEJWTJBYQL-UHFFFAOYSA-N -1 3 328.368 2.832 20 10 EFCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001236663919 1313505853 /nfs/dbraw/zinc/50/58/53/1313505853.db2.gz QYMLZQVOSIGQCD-PWSUYJOCSA-N -1 3 348.187 2.929 20 10 EFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001236670147 1313506538 /nfs/dbraw/zinc/50/65/38/1313506538.db2.gz UZYQXOHKLXTUTL-ZDUSSCGKSA-N -1 3 341.249 2.516 20 10 EFCDHM COc1cc([O-])c(CN2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC001236801732 1313531285 /nfs/dbraw/zinc/53/12/85/1313531285.db2.gz FDPNDOJOFUUTGT-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM CC(C)(O)CCN1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236802164 1313531991 /nfs/dbraw/zinc/53/19/91/1313531991.db2.gz GTSVNBNRPSFBEB-UHFFFAOYSA-N -1 3 347.286 2.978 20 10 EFCDHM O=C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@H]2CCCN12 ZINC001236802207 1313532142 /nfs/dbraw/zinc/53/21/42/1313532142.db2.gz HWKRVAYOICWQRY-LLVKDONJSA-N -1 3 329.227 2.896 20 10 EFCDHM O=C1CCC2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)N1 ZINC001236803060 1313532187 /nfs/dbraw/zinc/53/21/87/1313532187.db2.gz MFBQKHLLPCMLGM-UHFFFAOYSA-N -1 3 329.227 2.944 20 10 EFCDHM COc1ccc(CN2CCC[C@@H](Oc3ncccn3)C2)c([O-])c1Cl ZINC001236807163 1313532840 /nfs/dbraw/zinc/53/28/40/1313532840.db2.gz GSPSECVKGMCCNP-CYBMUJFWSA-N -1 3 349.818 2.888 20 10 EFCDHM COC(=O)C[C@@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236807878 1313532852 /nfs/dbraw/zinc/53/28/52/1313532852.db2.gz VEQRXWLRSSOGQS-NSHDSACASA-N -1 3 327.808 2.829 20 10 EFCDHM COc1ccc(CN2CC[C@H](Oc3nccnc3C)C2)c([O-])c1Cl ZINC001236810839 1313533769 /nfs/dbraw/zinc/53/37/69/1313533769.db2.gz XZDFQEYWLQYCRZ-ZDUSSCGKSA-N -1 3 349.818 2.806 20 10 EFCDHM COc1ccc(CN2CCC(NC(=O)C(C)C)CC2)c([O-])c1Cl ZINC001236812173 1313534657 /nfs/dbraw/zinc/53/46/57/1313534657.db2.gz SMEPQWKPKSGLEC-UHFFFAOYSA-N -1 3 340.851 2.791 20 10 EFCDHM COc1ccc(CN2CC(N3CCC(F)CC3)C2)c([O-])c1Cl ZINC001236812501 1313535223 /nfs/dbraw/zinc/53/52/23/1313535223.db2.gz YAGGMBJRJKAJHS-UHFFFAOYSA-N -1 3 328.815 2.672 20 10 EFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCN[C@@H](C(F)(F)F)C1 ZINC001236996556 1313568171 /nfs/dbraw/zinc/56/81/71/1313568171.db2.gz OTFBBLCUGRSHKU-LLVKDONJSA-N -1 3 328.256 2.747 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2ncccn2)c(Br)c1 ZINC001237064279 1313580114 /nfs/dbraw/zinc/58/01/14/1313580114.db2.gz ZKWXHMCSXYUFHS-UHFFFAOYSA-N -1 3 338.205 2.585 20 10 EFCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)C3=O)c(Br)c1 ZINC001237072756 1313581857 /nfs/dbraw/zinc/58/18/57/1313581857.db2.gz JXMICCJNUUTLBY-AOOOYVTPSA-N -1 3 340.217 2.574 20 10 EFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCN([C@@H]2CCOC2)CC1 ZINC001237078032 1313583041 /nfs/dbraw/zinc/58/30/41/1313583041.db2.gz MNMAHDMIODOAOY-LLVKDONJSA-N -1 3 331.243 2.606 20 10 EFCDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001237079777 1313583343 /nfs/dbraw/zinc/58/33/43/1313583343.db2.gz GIVPJXATVUHECX-VXGBXAGGSA-N -1 3 329.227 2.894 20 10 EFCDHM COCCCN1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237081488 1313584485 /nfs/dbraw/zinc/58/44/85/1313584485.db2.gz LJOGWJWOCFNRFG-UHFFFAOYSA-N -1 3 333.259 2.853 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1)C1CC1 ZINC001237129171 1313591588 /nfs/dbraw/zinc/59/15/88/1313591588.db2.gz WCJSAOOUJXCYAX-LLVKDONJSA-N -1 3 326.799 2.675 20 10 EFCDHM O=C1OCCCN1C1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237128607 1313591914 /nfs/dbraw/zinc/59/19/14/1313591914.db2.gz SGUDMUPVMHYSBO-UHFFFAOYSA-N -1 3 342.798 2.991 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)C3CC3)CC2(C)C)c1[O-] ZINC000776605003 1299770413 /nfs/dbraw/zinc/77/04/13/1299770413.db2.gz ZLNKQMHHVBNSPO-UHFFFAOYSA-N -1 3 348.418 2.567 20 10 EFCDHM C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757639 1299866571 /nfs/dbraw/zinc/86/65/71/1299866571.db2.gz ZKMPALJXQXRBTD-DOMZBBRYSA-N -1 3 343.393 2.642 20 10 EFCDHM O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000776636883 1299977652 /nfs/dbraw/zinc/97/76/52/1299977652.db2.gz LIDHGSWJPOPPJL-HOTGVXAUSA-N -1 3 331.343 2.887 20 10 EFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(N2CCOC2=O)c1 ZINC000776637618 1299982167 /nfs/dbraw/zinc/98/21/67/1299982167.db2.gz BPYUVAFHYODGGM-NSHDSACASA-N -1 3 342.351 2.545 20 10 EFCDHM Cc1ccc(NCCCNC(=O)c2cccc(O)c2[O-])c([N+](=O)[O-])c1 ZINC000776660864 1300101558 /nfs/dbraw/zinc/10/15/58/1300101558.db2.gz NLGYKFWMGDJLEP-UHFFFAOYSA-N -1 3 345.355 2.546 20 10 EFCDHM Cc1cc([O-])c(CN2CCCC(=O)[C@H](F)C2)cc1Br ZINC001237678159 1313690341 /nfs/dbraw/zinc/69/03/41/1313690341.db2.gz VIVPQTQAZNAGRX-GFCCVEGCSA-N -1 3 330.197 2.966 20 10 EFCDHM Cc1cc([O-])c(CN2CCc3ncn(C)c3C2)cc1Br ZINC001237685421 1313691536 /nfs/dbraw/zinc/69/15/36/1313691536.db2.gz PYIWJSBDQZKPJC-UHFFFAOYSA-N -1 3 336.233 2.755 20 10 EFCDHM Cc1cc([O-])c(CN2CCC[C@@H](F)C(=O)C2)cc1Br ZINC001237676106 1313689005 /nfs/dbraw/zinc/68/90/05/1313689005.db2.gz FKIQTKWDXOPEAK-GFCCVEGCSA-N -1 3 330.197 2.966 20 10 EFCDHM CN(Cc1ccno1)Cc1cccc(I)c1[O-] ZINC001237784207 1313705846 /nfs/dbraw/zinc/70/58/46/1313705846.db2.gz SLAKASWKLRKEOI-UHFFFAOYSA-N -1 3 344.152 2.617 20 10 EFCDHM [O-]c1c(I)cccc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237784218 1313705858 /nfs/dbraw/zinc/70/58/58/1313705858.db2.gz SNRBUORUNAXMLK-RTCCRHLQSA-N -1 3 347.171 2.644 20 10 EFCDHM O=C(N[C@H](c1cccs1)C1(CO)CCC1)c1cccc(O)c1[O-] ZINC000855118461 1300796436 /nfs/dbraw/zinc/79/64/36/1300796436.db2.gz SQIPNKURJMLXGG-OAHLLOKOSA-N -1 3 333.409 2.793 20 10 EFCDHM [O-]c1cc(Cl)c(F)cc1CN1CCN(CCc2ccncc2)CC1 ZINC001237938005 1313733524 /nfs/dbraw/zinc/73/35/24/1313733524.db2.gz WFLXZICXTUWPPA-UHFFFAOYSA-N -1 3 349.837 2.940 20 10 EFCDHM O=C1CCC[C@]2(CCCN(Cc3cc(F)c(Cl)cc3[O-])C2)N1 ZINC001237938301 1313734116 /nfs/dbraw/zinc/73/41/16/1313734116.db2.gz WQGYKDXYRXVTHK-MRXNPFEDSA-N -1 3 326.799 2.819 20 10 EFCDHM O=C(NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)C1CC1 ZINC001237935281 1313734190 /nfs/dbraw/zinc/73/41/90/1313734190.db2.gz BRBHDHQODTVXIA-UHFFFAOYSA-N -1 3 326.799 2.675 20 10 EFCDHM CC(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000860176648 1301731946 /nfs/dbraw/zinc/73/19/46/1301731946.db2.gz RYASWDTVGLCPCH-HNNXBMFYSA-N -1 3 338.835 2.739 20 10 EFCDHM Cc1cccc([O-])c1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000862226052 1302313190 /nfs/dbraw/zinc/31/31/90/1302313190.db2.gz PQYRXNZHLLKIOC-UHFFFAOYSA-N -1 3 340.423 2.592 20 10 EFCDHM CCn1ncnc1CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000794840321 1303278587 /nfs/dbraw/zinc/27/85/87/1303278587.db2.gz INJRSTAYLMSFDI-SECBINFHSA-N -1 3 325.210 2.617 20 10 EFCDHM COc1cc([O-])c(CN2CC3(CCN3Cc3ccc[nH]3)C2)cc1Cl ZINC001276621090 1314104174 /nfs/dbraw/zinc/10/41/74/1314104174.db2.gz RBLKRMSCAFSTRA-UHFFFAOYSA-N -1 3 347.846 2.843 20 10 EFCDHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(N(C)C)cc1 ZINC000800540105 1308093812 /nfs/dbraw/zinc/09/38/12/1308093812.db2.gz WYOXEBLPYBTDGS-SNVBAGLBSA-N -1 3 327.363 2.654 20 10 EFCDHM Cc1cc([O-])c(CN2CC3(CCN3CCn3ccnc3)C2)cc1Cl ZINC001276372450 1314280773 /nfs/dbraw/zinc/28/07/73/1314280773.db2.gz UJDBDBZMEJKLSI-UHFFFAOYSA-N -1 3 346.862 2.511 20 10 EFCDHM Cc1ccc(C2=NO[C@H](CNC(=O)c3cccc(O)c3[O-])C2)cc1C ZINC000801400647 1310102334 /nfs/dbraw/zinc/10/23/34/1310102334.db2.gz AXXLAGBZYKMFAZ-AWEZNQCLSA-N -1 3 340.379 2.638 20 10 EFCDHM CCCCN(Cc1ccccc1O)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000801551297 1310506674 /nfs/dbraw/zinc/50/66/74/1310506674.db2.gz KROJMUBXKPNEGZ-UHFFFAOYSA-N -1 3 343.427 2.876 20 10 EFCDHM COc1cc(O)ccc1[N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000901702649 1310907371 /nfs/dbraw/zinc/90/73/71/1310907371.db2.gz GRXVPFKOQCOGRY-CJNGLKHVSA-N -1 3 337.372 2.838 20 10 EFCDHM CO[C@@H](C)CCOc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226379542 1311658593 /nfs/dbraw/zinc/65/85/93/1311658593.db2.gz DOWXTGTVSUIPSN-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM CN1CCC[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380295 1311658627 /nfs/dbraw/zinc/65/86/27/1311658627.db2.gz QVJZGGJJVZCDED-GFCCVEGCSA-N -1 3 337.375 2.641 20 10 EFCDHM CCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000802657099 1311892341 /nfs/dbraw/zinc/89/23/41/1311892341.db2.gz ZSPPPRJGKJEVGR-GFCCVEGCSA-N -1 3 345.226 2.668 20 10 EFCDHM O=C1c2cccc(O[C@@H]3CCn4ccnc43)c2C(=O)c2cccc([O-])c21 ZINC001229186905 1312058760 /nfs/dbraw/zinc/05/87/60/1312058760.db2.gz RAACDJMJKKNLEJ-OAHLLOKOSA-N -1 3 346.342 2.888 20 10 EFCDHM O=C1c2cccc(O[C@H]3CCn4ccnc43)c2C(=O)c2cccc([O-])c21 ZINC001229186883 1312058984 /nfs/dbraw/zinc/05/89/84/1312058984.db2.gz RAACDJMJKKNLEJ-HNNXBMFYSA-N -1 3 346.342 2.888 20 10 EFCDHM O=C1c2cccc(O[C@H]3CN4CCC3CC4)c2C(=O)c2cccc([O-])c21 ZINC001229192331 1312059164 /nfs/dbraw/zinc/05/91/64/1312059164.db2.gz KJUHQOCLSJOYGY-KRWDZBQOSA-N -1 3 349.386 2.641 20 10 EFCDHM O=C1c2cccc(O[C@H]3CCOC[C@@H]3F)c2C(=O)c2cccc([O-])c21 ZINC001229192707 1312059716 /nfs/dbraw/zinc/05/97/16/1312059716.db2.gz SILAWLQETHJGPN-JSGCOSHPSA-N -1 3 342.322 2.673 20 10 EFCDHM COC[C@H](C)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229543299 1312111159 /nfs/dbraw/zinc/11/11/59/1312111159.db2.gz YGYXHUCINOJFNI-NSHDSACASA-N -1 3 326.348 2.890 20 10 EFCDHM Cc1cc(O[C@H](C)CN(C)C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229540129 1312111347 /nfs/dbraw/zinc/11/13/47/1312111347.db2.gz BWPGBUHFJRFDJG-GFCCVEGCSA-N -1 3 339.391 2.805 20 10 EFCDHM NC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001277446874 1312194631 /nfs/dbraw/zinc/19/46/31/1312194631.db2.gz ZVHNFOWZEPXLBY-LLVKDONJSA-N -1 3 329.227 2.786 20 10 EFCDHM O=C(N1CCCCO1)[C@]12C[C@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277456832 1312246679 /nfs/dbraw/zinc/24/66/79/1312246679.db2.gz CVIIUYMSTWWSLU-DYVFJYSZSA-N -1 3 336.819 2.564 20 10 EFCDHM C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1Cc1cc(Cl)ccc1[O-] ZINC001277457934 1312250515 /nfs/dbraw/zinc/25/05/15/1312250515.db2.gz MSBGSABPJXZXPT-NSHDSACASA-N -1 3 348.834 2.521 20 10 EFCDHM CN(C)C(=O)c1ccc2c(n1)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001277458281 1312253803 /nfs/dbraw/zinc/25/38/03/1312253803.db2.gz PRNIDPNWMVTDSS-UHFFFAOYSA-N -1 3 345.830 2.701 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nc3c(s2)CCC3)c1 ZINC000903190814 1312445979 /nfs/dbraw/zinc/44/59/79/1312445979.db2.gz DQPVFSOIDHGATN-SNVBAGLBSA-N -1 3 332.425 2.975 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c([O-])c1 ZINC001231446962 1312499171 /nfs/dbraw/zinc/49/91/71/1312499171.db2.gz MUJJIQSHEAQCKQ-UHFFFAOYSA-N -1 3 341.407 2.660 20 10 EFCDHM COc1ccc(CC[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1OC ZINC001231447042 1312499203 /nfs/dbraw/zinc/49/92/03/1312499203.db2.gz NSOTUVDQLLLURO-UHFFFAOYSA-N -1 3 345.395 2.782 20 10 EFCDHM COc1ccc(CC[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1OC ZINC001231447042 1312499207 /nfs/dbraw/zinc/49/92/07/1312499207.db2.gz NSOTUVDQLLLURO-UHFFFAOYSA-N -1 3 345.395 2.782 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2CCC(COc3cccnc3)CC2)c([O-])c1 ZINC001231447215 1312499484 /nfs/dbraw/zinc/49/94/84/1312499484.db2.gz PRYLIAZOBMDJHC-UHFFFAOYSA-N -1 3 342.395 2.776 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c([O-])c1 ZINC001231451464 1312500437 /nfs/dbraw/zinc/50/04/37/1312500437.db2.gz MSSLCOMDAIZSTP-UHFFFAOYSA-N -1 3 345.370 2.713 20 10 EFCDHM CC(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231454650 1312500871 /nfs/dbraw/zinc/50/08/71/1312500871.db2.gz HJQFPPVGIPGAHT-AWEZNQCLSA-N -1 3 345.399 2.976 20 10 EFCDHM CC(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231454650 1312500873 /nfs/dbraw/zinc/50/08/73/1312500873.db2.gz HJQFPPVGIPGAHT-AWEZNQCLSA-N -1 3 345.399 2.976 20 10 EFCDHM Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453577 1312501469 /nfs/dbraw/zinc/50/14/69/1312501469.db2.gz MMOSBBHONIDMRZ-MRXNPFEDSA-N -1 3 342.395 2.837 20 10 EFCDHM Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453577 1312501472 /nfs/dbraw/zinc/50/14/72/1312501472.db2.gz MMOSBBHONIDMRZ-MRXNPFEDSA-N -1 3 342.395 2.837 20 10 EFCDHM Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231452907 1312501642 /nfs/dbraw/zinc/50/16/42/1312501642.db2.gz HOHLLJGZWLSNHE-INIZCTEOSA-N -1 3 342.395 2.837 20 10 EFCDHM Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231452907 1312501646 /nfs/dbraw/zinc/50/16/46/1312501646.db2.gz HOHLLJGZWLSNHE-INIZCTEOSA-N -1 3 342.395 2.837 20 10 EFCDHM O=C([O-])c1ccc(O)c(CN2CCN(CCc3cccs3)CC2)c1 ZINC001231563707 1312525482 /nfs/dbraw/zinc/52/54/82/1312525482.db2.gz KKVUOIUSUYQZAV-UHFFFAOYSA-N -1 3 346.452 2.512 20 10 EFCDHM Cc1ccc(CN2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc1 ZINC001231564207 1312526448 /nfs/dbraw/zinc/52/64/48/1312526448.db2.gz PNFTWZKBDUPTDH-UHFFFAOYSA-N -1 3 340.423 2.717 20 10 EFCDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1c([O-])ccc2ccccc21 ZINC001231590417 1312528801 /nfs/dbraw/zinc/52/88/01/1312528801.db2.gz ZJLZDLAUFQVTFD-GOSISDBHSA-N -1 3 327.380 2.642 20 10 EFCDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1c([O-])ccc2ccccc21 ZINC001231590418 1312528812 /nfs/dbraw/zinc/52/88/12/1312528812.db2.gz ZJLZDLAUFQVTFD-SFHVURJKSA-N -1 3 327.380 2.642 20 10 EFCDHM O=C(NC1CCN(Cc2cccc(Cl)c2[O-])CC1)c1cccnc1 ZINC001231914052 1312586799 /nfs/dbraw/zinc/58/67/99/1312586799.db2.gz XJPZTVLKRLTRAF-UHFFFAOYSA-N -1 3 345.830 2.835 20 10 EFCDHM [O-]c1cc(O)c(CN2CCN(c3nccs3)CC2)cc1Cl ZINC001232259859 1312659892 /nfs/dbraw/zinc/65/98/92/1312659892.db2.gz LWOWQQLNHIXNJC-UHFFFAOYSA-N -1 3 325.821 2.530 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC001232266604 1312661992 /nfs/dbraw/zinc/66/19/92/1312661992.db2.gz PUOLCHSXOHYRDJ-GFCCVEGCSA-N -1 3 325.714 2.553 20 10 EFCDHM COc1cc([O-])c(CN2CC(N3CCC(F)(F)CC3)C2)cc1Cl ZINC001232270030 1312663159 /nfs/dbraw/zinc/66/31/59/1312663159.db2.gz QLXBUSWXXORZKO-UHFFFAOYSA-N -1 3 346.805 2.970 20 10 EFCDHM O=C1N(c2ccccc2)CC12CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232268286 1312663177 /nfs/dbraw/zinc/66/31/77/1312663177.db2.gz NTESVOUMDMUOBN-UHFFFAOYSA-N -1 3 344.798 2.600 20 10 EFCDHM CCOC(=O)[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])CCS1 ZINC001232271515 1312663360 /nfs/dbraw/zinc/66/33/60/1312663360.db2.gz VNZKXHGGWHSANH-CQSZACIVSA-N -1 3 345.848 2.535 20 10 EFCDHM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])CCS1 ZINC001232271514 1312663485 /nfs/dbraw/zinc/66/34/85/1312663485.db2.gz VNZKXHGGWHSANH-AWEZNQCLSA-N -1 3 345.848 2.535 20 10 EFCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(OC3COC3)cc2)no1 ZINC001215146041 1314788565 /nfs/dbraw/zinc/78/85/65/1314788565.db2.gz YCRAZSWTKDUHSG-UHFFFAOYSA-N -1 3 326.308 2.592 20 10 EFCDHM COc1c(F)cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1F ZINC001215325441 1314815498 /nfs/dbraw/zinc/81/54/98/1314815498.db2.gz SSGXUGQSUXKJIM-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM COc1cc(OC)cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325545 1314815622 /nfs/dbraw/zinc/81/56/22/1314815622.db2.gz YOTMFNDARGNSCI-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM COc1cc(OC)cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215327682 1314816333 /nfs/dbraw/zinc/81/63/33/1314816333.db2.gz NYBRXVSMZGNHMC-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM COc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(OC)c1 ZINC001215327845 1314816372 /nfs/dbraw/zinc/81/63/72/1314816372.db2.gz WMAKNUYPYIYUIQ-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001215327707 1314816404 /nfs/dbraw/zinc/81/64/04/1314816404.db2.gz PFTMQLPSXZKVAT-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM Cc1c2cccc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)c2nn1C ZINC001215328532 1314817081 /nfs/dbraw/zinc/81/70/81/1314817081.db2.gz JQCYIDQCUGUCDM-UHFFFAOYSA-N -1 3 338.323 2.716 20 10 EFCDHM CC(C)Oc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cn1 ZINC001215328444 1314817094 /nfs/dbraw/zinc/81/70/94/1314817094.db2.gz DGZZFURLTDPSAZ-UHFFFAOYSA-N -1 3 329.312 2.703 20 10 EFCDHM COc1cc([O-])c(CN2CCCCO2)cc1I ZINC001248462397 1314937422 /nfs/dbraw/zinc/93/74/22/1314937422.db2.gz XNGGWBIHWUSRBJ-UHFFFAOYSA-N -1 3 349.168 2.533 20 10 EFCDHM Cc1nc(CN(C)Cc2cc(C)c(Br)cc2[O-])no1 ZINC001250120571 1315174640 /nfs/dbraw/zinc/17/46/40/1315174640.db2.gz JGLDZJCJLVEXSM-UHFFFAOYSA-N -1 3 326.194 2.787 20 10 EFCDHM CCN1C[C@@H](C)N(Cc2cc(C)c(Br)cc2[O-])CC1=O ZINC001250133719 1315177062 /nfs/dbraw/zinc/17/70/62/1315177062.db2.gz QRBZFPPGBIKPLE-LLVKDONJSA-N -1 3 341.249 2.516 20 10 EFCDHM COc1ccc(CN2CC3(CN(Cc4ccc[nH]4)C3)C2)c([O-])c1Cl ZINC001276806169 1315326949 /nfs/dbraw/zinc/32/69/49/1315326949.db2.gz JBXUCMJVUXRYQJ-UHFFFAOYSA-N -1 3 347.846 2.700 20 10 EFCDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1 ZINC001251838480 1315381362 /nfs/dbraw/zinc/38/13/62/1315381362.db2.gz QTCGGJNSNYPTKX-UHFFFAOYSA-N -1 3 334.397 2.768 20 10 EFCDHM CCOc1ccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)nn1 ZINC000827798304 1316017232 /nfs/dbraw/zinc/01/72/32/1316017232.db2.gz FYMKREMLMBQJDL-UHFFFAOYSA-N -1 3 348.834 2.557 20 10 EFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2C)ccc1O ZINC001260998914 1316382884 /nfs/dbraw/zinc/38/28/84/1316382884.db2.gz ZLLAKQRCBORWMV-UHFFFAOYSA-N -1 3 335.381 2.596 20 10 EFCDHM O=C(NC1CC1)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001319825112 1329005532 /nfs/dbraw/zinc/00/55/32/1329005532.db2.gz BBCLRGGATXLMPM-SNVBAGLBSA-N -1 3 326.799 2.675 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccccc1 ZINC001324701477 1329652733 /nfs/dbraw/zinc/65/27/33/1329652733.db2.gz QLEVULNVGHPTNB-KRWDZBQOSA-N -1 3 349.814 2.754 20 10 EFCDHM COC(=O)CN(Cc1cc(Br)ccc1[O-])CC(C)C ZINC001324749756 1329655554 /nfs/dbraw/zinc/65/55/54/1329655554.db2.gz GAGDAJUNFJXJOM-UHFFFAOYSA-N -1 3 330.222 2.786 20 10 EFCDHM O=C([N-]c1c2nonc2ccc1Cl)c1ccc(Cn2cccn2)o1 ZINC001325345138 1329681540 /nfs/dbraw/zinc/68/15/40/1329681540.db2.gz KILITFORRPJZNA-UHFFFAOYSA-N -1 3 343.730 2.966 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000848105891 1334297584 /nfs/dbraw/zinc/29/75/84/1334297584.db2.gz HKIIFTGQWVTRNU-UHFFFAOYSA-N -1 3 348.786 2.830 20 10 EFCDHM [O-]c1ccc(F)cc1C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826511477 1425997028 /nfs/dbraw/zinc/99/70/28/1425997028.db2.gz RUMVBVLDRRPZBN-UHFFFAOYSA-N -1 3 339.374 2.876 20 10 EFCDHM [O-]c1ccc(F)cc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826511477 1425997031 /nfs/dbraw/zinc/99/70/31/1425997031.db2.gz RUMVBVLDRRPZBN-UHFFFAOYSA-N -1 3 339.374 2.876 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826210589 1441849258 /nfs/dbraw/zinc/84/92/58/1441849258.db2.gz XHABYLWBJRYFFS-JTQLQIEISA-N -1 3 343.362 2.571 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826210589 1441849263 /nfs/dbraw/zinc/84/92/63/1441849263.db2.gz XHABYLWBJRYFFS-JTQLQIEISA-N -1 3 343.362 2.571 20 10 EFCDHM CNC(=O)CC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177363127 713721178 /nfs/dbraw/zinc/72/11/78/713721178.db2.gz RFCGAUNOYSBUQH-UHFFFAOYSA-N -1 3 338.835 2.596 20 10 EFCDHM O=C([N-]Cc1ccc(N2CCSCC2)cc1)C(F)(F)C(F)F ZINC000176040793 714883055 /nfs/dbraw/zinc/88/30/55/714883055.db2.gz RGUIGMKSGPABGA-UHFFFAOYSA-N -1 3 336.354 2.756 20 10 EFCDHM O=C(Cc1ccccc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000179979378 718026499 /nfs/dbraw/zinc/02/64/99/718026499.db2.gz SPAARZJFVDSZFM-UHFFFAOYSA-N -1 3 344.842 2.933 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN(CCO)Cc2ccccc2)c1[O-] ZINC000158306400 715503290 /nfs/dbraw/zinc/50/32/90/715503290.db2.gz UZJWTMASMTYNAT-UHFFFAOYSA-N -1 3 336.775 2.948 20 10 EFCDHM COc1ccc(N(C)Cc2ccc([O-])c(OC)c2[N+](=O)[O-])cc1OC ZINC000893574066 717541213 /nfs/dbraw/zinc/54/12/13/717541213.db2.gz UZTHBARWHXSFMB-UHFFFAOYSA-N -1 3 348.355 2.963 20 10 EFCDHM CC(C)CNC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893918376 720160083 /nfs/dbraw/zinc/16/00/83/720160083.db2.gz CBFLSRSPVPOENN-UHFFFAOYSA-N -1 3 326.387 2.655 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000893979830 720195361 /nfs/dbraw/zinc/19/53/61/720195361.db2.gz FUEDBAFKHYADMS-OAHLLOKOSA-N -1 3 327.371 2.830 20 10 EFCDHM CC(C)C(=O)NC[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893983516 720204336 /nfs/dbraw/zinc/20/43/36/720204336.db2.gz CRSPKNNFCHZYDT-LBPRGKRZSA-N -1 3 326.387 2.655 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](CCO)C1 ZINC000894003586 720217671 /nfs/dbraw/zinc/21/76/71/720217671.db2.gz CWWFZDMTASRCPK-SNVBAGLBSA-N -1 3 332.213 2.888 20 10 EFCDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894052271 720252476 /nfs/dbraw/zinc/25/24/76/720252476.db2.gz CEZPXADRYBDMOP-CABCVRRESA-N -1 3 326.387 2.892 20 10 EFCDHM C[S@](=O)C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000894424123 722732825 /nfs/dbraw/zinc/73/28/25/722732825.db2.gz BJWQWIPYKDLZTB-QRQCRPRQSA-N -1 3 325.380 2.880 20 10 EFCDHM CCOC(=O)CN(Cc1ccc([O-])c(F)c1)Cc1ccccc1O ZINC000895014634 723050515 /nfs/dbraw/zinc/05/05/15/723050515.db2.gz ZPCHYWHQAPCMOP-UHFFFAOYSA-N -1 3 333.359 2.802 20 10 EFCDHM COc1c([O-])c(CNCc2nc3c(s2)CCCC3)ccc1[N+](=O)[O-] ZINC000896825920 723508416 /nfs/dbraw/zinc/50/84/16/723508416.db2.gz ZUONKMWZSUHVOP-UHFFFAOYSA-N -1 3 349.412 2.934 20 10 EFCDHM CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)ccc1[O-] ZINC000895863348 724346477 /nfs/dbraw/zinc/34/64/77/724346477.db2.gz IUERTRIOMCKFOD-ZIAGYGMSSA-N -1 3 327.808 2.636 20 10 EFCDHM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Cl)ccc1[O-] ZINC000895863345 724346614 /nfs/dbraw/zinc/34/66/14/724346614.db2.gz IUERTRIOMCKFOD-UONOGXRCSA-N -1 3 327.808 2.636 20 10 EFCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000151872322 725857277 /nfs/dbraw/zinc/85/72/77/725857277.db2.gz JMSXSNUTULCDDZ-UHFFFAOYSA-N -1 3 331.349 2.608 20 10 EFCDHM CCCNC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000182151061 727968872 /nfs/dbraw/zinc/96/88/72/727968872.db2.gz ZXZHNQPGPZJREG-UHFFFAOYSA-N -1 3 328.368 2.798 20 10 EFCDHM Cc1ccc(Cn2nccc2NC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000182406988 728146046 /nfs/dbraw/zinc/14/60/46/728146046.db2.gz SINNAAHXWYYDKO-UHFFFAOYSA-N -1 3 327.340 2.805 20 10 EFCDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1C ZINC000182478316 728186849 /nfs/dbraw/zinc/18/68/49/728186849.db2.gz QARLFKGRHNSKPC-UHFFFAOYSA-N -1 3 334.397 2.768 20 10 EFCDHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000182476600 728186872 /nfs/dbraw/zinc/18/68/72/728186872.db2.gz BQMVWAWWYXCNBK-UHFFFAOYSA-N -1 3 334.397 2.850 20 10 EFCDHM COc1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1O ZINC000171134426 728517950 /nfs/dbraw/zinc/51/79/50/728517950.db2.gz IJLYKGJFWNMGPY-UHFFFAOYSA-N -1 3 338.747 2.958 20 10 EFCDHM CC[C@@H](C)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000324793424 729470109 /nfs/dbraw/zinc/47/01/09/729470109.db2.gz MNRKNGZRDXALAJ-VUDGCMKMSA-N -1 3 333.388 2.613 20 10 EFCDHM O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001602218341 971175385 /nfs/dbraw/zinc/17/53/85/971175385.db2.gz KWKYIUYFFRTMEL-IYBDPMFKSA-N -1 3 327.380 2.924 20 10 EFCDHM COc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1[O-] ZINC000405379483 973859410 /nfs/dbraw/zinc/85/94/10/973859410.db2.gz WMTYWKXQLOMXQK-LBPRGKRZSA-N -1 3 325.792 2.741 20 10 EFCDHM COc1cc(Br)cc(C[NH2+]CCC(C)(C)C(=O)[O-])c1[O-] ZINC000818629092 978922162 /nfs/dbraw/zinc/92/21/62/978922162.db2.gz OUDVWRURHRUGBD-UHFFFAOYSA-N -1 3 346.221 2.754 20 10 EFCDHM Cc1[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccccc2O)c(C)c1C(=O)[O-] ZINC001599943234 985481766 /nfs/dbraw/zinc/48/17/66/985481766.db2.gz IQFVFHHSCARAQV-ZYHUDNBSSA-N -1 3 330.384 2.957 20 10 EFCDHM CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c([O-])c1 ZINC001597101451 986716395 /nfs/dbraw/zinc/71/63/95/986716395.db2.gz UTVCHDLXHQPBGP-SFHVURJKSA-N -1 3 343.379 2.641 20 10 EFCDHM COc1ccc(N2CCCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001599585399 993606259 /nfs/dbraw/zinc/60/62/59/993606259.db2.gz QITVBKBOLYGRPN-UHFFFAOYSA-N -1 3 330.384 2.699 20 10 EFCDHM CN1CCCc2cc(CN[C@H]3CCCn4nc(C(=O)[O-])cc43)ccc21 ZINC001598603870 993610848 /nfs/dbraw/zinc/61/08/48/993610848.db2.gz UOHQNOZFYFSJLM-HNNXBMFYSA-N -1 3 340.427 2.588 20 10 EFCDHM COc1ccc(N2CC[C@H](NCc3cc(C(=O)[O-])c(C)o3)C2)cc1 ZINC001599586965 993626177 /nfs/dbraw/zinc/62/61/77/993626177.db2.gz ZDJCUTRPKCYSOE-ZDUSSCGKSA-N -1 3 330.384 2.663 20 10 EFCDHM COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])C2 ZINC001599632692 994241466 /nfs/dbraw/zinc/24/14/66/994241466.db2.gz KVJXQDFQRXEDOO-RISCZKNCSA-N -1 3 343.379 2.753 20 10 EFCDHM C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219700 994303517 /nfs/dbraw/zinc/30/35/17/994303517.db2.gz PMMJKJHUUFZNHQ-IUODEOHRSA-N -1 3 346.427 2.532 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234326 994400073 /nfs/dbraw/zinc/40/00/73/994400073.db2.gz YIZREPAGXFASRD-XTQGRXLLSA-N -1 3 337.441 2.796 20 10 EFCDHM C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241028 994432859 /nfs/dbraw/zinc/43/28/59/994432859.db2.gz UUQGCMNLGBBYSW-ZMZPIMSZSA-N -1 3 333.359 2.788 20 10 EFCDHM C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241025 994433548 /nfs/dbraw/zinc/43/35/48/994433548.db2.gz UUQGCMNLGBBYSW-ADLMAVQZSA-N -1 3 333.359 2.788 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248682 994474003 /nfs/dbraw/zinc/47/40/03/994474003.db2.gz VHRNIALMOYHHFS-OCCSQVGLSA-N -1 3 347.386 2.731 20 10 EFCDHM C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272584 994612687 /nfs/dbraw/zinc/61/26/87/994612687.db2.gz AFCFXMOOOULBAN-LBPRGKRZSA-N -1 3 343.379 2.755 20 10 EFCDHM C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593360035 995021667 /nfs/dbraw/zinc/02/16/67/995021667.db2.gz NFXNXIJVZQSGFI-ZSOFBXJNSA-N -1 3 341.407 2.834 20 10 EFCDHM COc1cc(C)c(C[NH2+][C@H](CC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC001599391399 997043593 /nfs/dbraw/zinc/04/35/93/997043593.db2.gz VDPXYZVCKFPHOR-HNNXBMFYSA-N -1 3 329.396 2.885 20 10 EFCDHM COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599515341 997374833 /nfs/dbraw/zinc/37/48/33/997374833.db2.gz CMDZEDGLWPIIJH-IUODEOHRSA-N -1 3 345.395 2.526 20 10 EFCDHM COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599211488 997508129 /nfs/dbraw/zinc/50/81/29/997508129.db2.gz LDMGMFWGSMVXFD-TZMCWYRMSA-N -1 3 333.384 2.982 20 10 EFCDHM COc1cc(O)c(CN2CCc3cccc(C(=O)[O-])c3C2)cc1OC ZINC001599445966 998010113 /nfs/dbraw/zinc/01/01/13/998010113.db2.gz LESOORHUQWHKFG-UHFFFAOYSA-N -1 3 343.379 2.666 20 10 EFCDHM COC(=O)CN(Cc1sccc1N)Cc1cc(Cl)ccc1[O-] ZINC001578811840 1090447153 /nfs/dbraw/zinc/44/71/53/1090447153.db2.gz BKAIJEPDCFBBKP-UHFFFAOYSA-N -1 3 340.832 2.865 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956450 1093193042 /nfs/dbraw/zinc/19/30/42/1093193042.db2.gz OZPAGISPTAIVSM-QWHCGFSZSA-N -1 3 343.431 2.715 20 10 EFCDHM C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956446 1093193332 /nfs/dbraw/zinc/19/33/32/1093193332.db2.gz OZPAGISPTAIVSM-OLZOCXBDSA-N -1 3 343.431 2.715 20 10 EFCDHM C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957938 1093194823 /nfs/dbraw/zinc/19/48/23/1093194823.db2.gz JOXJYYAUTLFTKD-SGTLLEGYSA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962886 1093199206 /nfs/dbraw/zinc/19/92/06/1093199206.db2.gz UTOAPXYOEKTRSE-WOSRLPQWSA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589970009 1093202344 /nfs/dbraw/zinc/20/23/44/1093202344.db2.gz JPZKOHBCVDLOOO-GFCCVEGCSA-N -1 3 335.411 2.912 20 10 EFCDHM C[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1[O-] ZINC001589968453 1093203114 /nfs/dbraw/zinc/20/31/14/1093203114.db2.gz FBSRJESWMQLRFZ-SECBINFHSA-N -1 3 331.326 2.701 20 10 EFCDHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)c1ccc(N(C)C)cc1 ZINC001589987694 1093212085 /nfs/dbraw/zinc/21/20/85/1093212085.db2.gz HHDNAHLXLYPIKN-SNVBAGLBSA-N -1 3 327.367 2.640 20 10 EFCDHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)c1ccc(N(C)C)cc1 ZINC001589987694 1093212090 /nfs/dbraw/zinc/21/20/90/1093212090.db2.gz HHDNAHLXLYPIKN-SNVBAGLBSA-N -1 3 327.367 2.640 20 10 EFCDHM CC[C@@H]([NH2+]CC[C@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466198 1093436646 /nfs/dbraw/zinc/43/66/46/1093436646.db2.gz IYNJSYANGMTOID-SMDDNHRTSA-N -1 3 333.461 2.756 20 10 EFCDHM CC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465589 1093436676 /nfs/dbraw/zinc/43/66/76/1093436676.db2.gz JLPLSLYVQBUCJP-SWLSCSKDSA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465707 1093436684 /nfs/dbraw/zinc/43/66/84/1093436684.db2.gz IHLMXZZTFHIGLZ-KNPMLCFXSA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1CCS[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467200 1093438812 /nfs/dbraw/zinc/43/88/12/1093438812.db2.gz QWROFVLRLNZXIT-WDMOLILDSA-N -1 3 333.461 2.897 20 10 EFCDHM COc1ccc(CNc2cc(C)cc(-c3nnn[n-]3)c2)c(O)c1OC ZINC001591601014 1093787599 /nfs/dbraw/zinc/78/75/99/1093787599.db2.gz JDHJZRLSHAZPQT-UHFFFAOYSA-N -1 3 341.371 2.510 20 10 EFCDHM COc1ccc(CNc2cc(C)cc(-c3nn[n-]n3)c2)c(O)c1OC ZINC001591601014 1093787604 /nfs/dbraw/zinc/78/76/04/1093787604.db2.gz JDHJZRLSHAZPQT-UHFFFAOYSA-N -1 3 341.371 2.510 20 10 EFCDHM COc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c(O)c1 ZINC001591601047 1093787679 /nfs/dbraw/zinc/78/76/79/1093787679.db2.gz LBIPPIRSMAKNCV-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c(O)c1 ZINC001591601047 1093787688 /nfs/dbraw/zinc/78/76/88/1093787688.db2.gz LBIPPIRSMAKNCV-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM CSc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])ccn1 ZINC001591706722 1093836413 /nfs/dbraw/zinc/83/64/13/1093836413.db2.gz JPEISJIMVUBCPZ-JTQLQIEISA-N -1 3 342.428 2.540 20 10 EFCDHM C[C@H](NC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)c1ccccc1O ZINC001591769216 1093851740 /nfs/dbraw/zinc/85/17/40/1093851740.db2.gz ITCSROGLSHDCAH-JTQLQIEISA-N -1 3 348.366 2.545 20 10 EFCDHM C[C@H](NC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)c1ccccc1O ZINC001591769216 1093851745 /nfs/dbraw/zinc/85/17/45/1093851745.db2.gz ITCSROGLSHDCAH-JTQLQIEISA-N -1 3 348.366 2.545 20 10 EFCDHM Cc1ccc(C=CC(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC001592145335 1093997369 /nfs/dbraw/zinc/99/73/69/1093997369.db2.gz ZCBJHAHQGCCACW-TWGQIWQCSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccc(C=CC(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC001592145335 1093997371 /nfs/dbraw/zinc/99/73/71/1093997371.db2.gz ZCBJHAHQGCCACW-TWGQIWQCSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1csc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592313757 1094074697 /nfs/dbraw/zinc/07/46/97/1094074697.db2.gz VWQSNXVLAMIDCS-VHSXEESVSA-N -1 3 330.417 2.749 20 10 EFCDHM [O-]c1c(C[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc(F)c1F ZINC001593538741 1094350671 /nfs/dbraw/zinc/35/06/71/1094350671.db2.gz CZQZIXNTZDBSGG-UHFFFAOYSA-N -1 3 343.337 2.629 20 10 EFCDHM [O-]c1c(C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc(F)c1F ZINC001593538741 1094350678 /nfs/dbraw/zinc/35/06/78/1094350678.db2.gz CZQZIXNTZDBSGG-UHFFFAOYSA-N -1 3 343.337 2.629 20 10 EFCDHM Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1C ZINC001600402755 1095037900 /nfs/dbraw/zinc/03/79/00/1095037900.db2.gz SLPPQQZBCOTZIC-YOEHRIQHSA-N -1 3 343.423 2.961 20 10 EFCDHM Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001600402160 1095039082 /nfs/dbraw/zinc/03/90/82/1095039082.db2.gz OFKCRNGNONLGPN-XJKSGUPXSA-N -1 3 329.396 2.653 20 10 EFCDHM Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001600952362 1095442716 /nfs/dbraw/zinc/44/27/16/1095442716.db2.gz RYAIYAJJJLHHLS-INIZCTEOSA-N -1 3 344.411 2.610 20 10 EFCDHM Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001600952362 1095442722 /nfs/dbraw/zinc/44/27/22/1095442722.db2.gz RYAIYAJJJLHHLS-INIZCTEOSA-N -1 3 344.411 2.610 20 10 EFCDHM O=C([O-])[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC001601674196 1095805876 /nfs/dbraw/zinc/80/58/76/1095805876.db2.gz CHDAQEXNLHMRSV-SFHVURJKSA-N -1 3 327.380 2.924 20 10 EFCDHM CC[C@H]([NH2+]CCc1nc(C)cs1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604062486 1096717206 /nfs/dbraw/zinc/71/72/06/1096717206.db2.gz SQLFKOAUGATLHK-ZDUSSCGKSA-N -1 3 344.444 2.621 20 10 EFCDHM C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604331564 1096814911 /nfs/dbraw/zinc/81/49/11/1096814911.db2.gz BZPPNTKQNNRUMM-LXIYXOSZSA-N -1 3 329.396 2.906 20 10 EFCDHM C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338993 1096818283 /nfs/dbraw/zinc/81/82/83/1096818283.db2.gz TUUVBRKUOGLDCT-GFCCVEGCSA-N -1 3 334.416 2.580 20 10 EFCDHM C[C@@H]([NH2+]CCN1CCc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342386 1096820140 /nfs/dbraw/zinc/82/01/40/1096820140.db2.gz KIIDEBRPPKSQIV-CYBMUJFWSA-N -1 3 326.396 2.804 20 10 EFCDHM CN(C)c1ccc(CN2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001604704559 1096936198 /nfs/dbraw/zinc/93/61/98/1096936198.db2.gz RDGOQRACDSPDTP-UHFFFAOYSA-N -1 3 334.427 2.886 20 10 EFCDHM Cc1cc(O)c(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c(Cl)c1 ZINC001605744948 1097213076 /nfs/dbraw/zinc/21/30/76/1097213076.db2.gz SWXQCOUTMKRREL-UHFFFAOYSA-N -1 3 345.794 2.747 20 10 EFCDHM Cc1ccncc1C=CC(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001605960237 1097287526 /nfs/dbraw/zinc/28/75/26/1097287526.db2.gz OCMQCVFLIULHPU-FNORWQNLSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccncc1C=CC(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001605960237 1097287531 /nfs/dbraw/zinc/28/75/31/1097287531.db2.gz OCMQCVFLIULHPU-FNORWQNLSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1cncc(C=CC(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001605982698 1097293042 /nfs/dbraw/zinc/29/30/42/1097293042.db2.gz FXVUCYVVEKISCM-DAXSKMNVSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1cncc(C=CC(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001605982698 1097293047 /nfs/dbraw/zinc/29/30/47/1097293047.db2.gz FXVUCYVVEKISCM-DAXSKMNVSA-N -1 3 346.394 2.563 20 10 EFCDHM CN(C)c1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1F ZINC001606055695 1097307786 /nfs/dbraw/zinc/30/77/86/1097307786.db2.gz MYDUXMSBQPTAAO-GOSISDBHSA-N -1 3 331.391 2.766 20 10 EFCDHM CO[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])Cc1ccccc1 ZINC001606679314 1097441647 /nfs/dbraw/zinc/44/16/47/1097441647.db2.gz DEIQGOHBZXFKDD-XJKSGUPXSA-N -1 3 329.396 2.999 20 10 EFCDHM Oc1ccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)cc1O ZINC001607111099 1097517212 /nfs/dbraw/zinc/51/72/12/1097517212.db2.gz QTEPXVYYCYVHSU-UHFFFAOYSA-N -1 3 331.763 2.586 20 10 EFCDHM Oc1ccc(CCNc2c(Cl)cccc2-c2nn[n-]n2)cc1O ZINC001607111099 1097517215 /nfs/dbraw/zinc/51/72/15/1097517215.db2.gz QTEPXVYYCYVHSU-UHFFFAOYSA-N -1 3 331.763 2.586 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001607111587 1097518324 /nfs/dbraw/zinc/51/83/24/1097518324.db2.gz WUXRHEDVVARNKY-UHFFFAOYSA-N -1 3 333.754 2.655 20 10 EFCDHM COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1[O-] ZINC001607167329 1097549781 /nfs/dbraw/zinc/54/97/81/1097549781.db2.gz SHHXIWUHDLAQCZ-ZBEGNZNMSA-N -1 3 325.792 2.741 20 10 EFCDHM COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1[O-] ZINC001607167329 1097549788 /nfs/dbraw/zinc/54/97/88/1097549788.db2.gz SHHXIWUHDLAQCZ-ZBEGNZNMSA-N -1 3 325.792 2.741 20 10 EFCDHM COc1ccc([C@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])c(OC)c1 ZINC001607234741 1097568500 /nfs/dbraw/zinc/56/85/00/1097568500.db2.gz NLIVWPZGERWDMV-SFHVURJKSA-N -1 3 344.411 2.685 20 10 EFCDHM COc1ccc(N2CC[C@H](NCc3ccc(C(=O)[O-])cc3F)C2)cc1 ZINC001607269413 1097580550 /nfs/dbraw/zinc/58/05/50/1097580550.db2.gz KLKUARRXVAVSFZ-HNNXBMFYSA-N -1 3 344.386 2.901 20 10 EFCDHM Cc1cc(C(=O)N[C@H]2CC23CC3)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC001609393992 1098284986 /nfs/dbraw/zinc/28/49/86/1098284986.db2.gz FBYZTCZBDCTKMG-INIZCTEOSA-N -1 3 348.410 2.557 20 10 EFCDHM CC(C)([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cc(C(=O)[O-])on1 ZINC001609680800 1098425480 /nfs/dbraw/zinc/42/54/80/1098425480.db2.gz OHBBLEQMRQLXCR-UHFFFAOYSA-N -1 3 328.727 2.896 20 10 EFCDHM C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774050 1098453312 /nfs/dbraw/zinc/45/33/12/1098453312.db2.gz RNHMDIOBDMPOSY-FZMZJTMJSA-N -1 3 333.359 2.656 20 10 EFCDHM CCOc1ccc(O)c(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC001610043604 1098528428 /nfs/dbraw/zinc/52/84/28/1098528428.db2.gz WUEOGYAWGJDZLX-MRXNPFEDSA-N -1 3 337.322 2.985 20 10 EFCDHM COc1ccc(N2CCCN(Cc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC001610339230 1098628787 /nfs/dbraw/zinc/62/87/87/1098628787.db2.gz MHQTWTOHVFKVTA-UHFFFAOYSA-N -1 3 341.411 2.501 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC001610432520 1098673425 /nfs/dbraw/zinc/67/34/25/1098673425.db2.gz NMTXJVMRCBRTPV-VXGBXAGGSA-N -1 3 328.206 2.806 20 10 EFCDHM O=C([O-])c1cc2ccccc2c(CN2CCO[C@H](C3CC3)C2)c1O ZINC001610819099 1098910082 /nfs/dbraw/zinc/91/00/82/1098910082.db2.gz UJCUXCMSQRHVJQ-KRWDZBQOSA-N -1 3 327.380 2.854 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C(=O)c1ccco1 ZINC001142288062 1103903828 /nfs/dbraw/zinc/90/38/28/1103903828.db2.gz WZDVQQOZWVMKTH-UHFFFAOYSA-N -1 3 330.727 2.686 20 10 EFCDHM CC(C)C(=O)N1CCC[C@@]12CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142520833 1106112467 /nfs/dbraw/zinc/11/24/67/1106112467.db2.gz QCWDDZVKBPGWTI-SFHVURJKSA-N -1 3 338.398 2.893 20 10 EFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530350 1106228183 /nfs/dbraw/zinc/22/81/83/1106228183.db2.gz FJYKXTZVTUJCQJ-SMDDNHRTSA-N -1 3 340.370 2.722 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCc2nccn2CC1 ZINC001235064146 1111607700 /nfs/dbraw/zinc/60/77/00/1111607700.db2.gz AAHIPHLEJWWCMK-UHFFFAOYSA-N -1 3 340.196 2.549 20 10 EFCDHM COc1cc([O-])c(CN2CCC(O)(C(F)(F)F)CC2)c(Cl)c1 ZINC001236800078 1117997155 /nfs/dbraw/zinc/99/71/55/1117997155.db2.gz WQUFXASCAGODJA-UHFFFAOYSA-N -1 3 339.741 2.943 20 10 EFCDHM [O-]c1c(CNc2nc(F)nc3nc[nH]c32)cc(Cl)c2cccnc12 ZINC001168527080 1119729609 /nfs/dbraw/zinc/72/96/09/1119729609.db2.gz CITJANABJPFBMW-UHFFFAOYSA-N -1 3 344.737 2.963 20 10 EFCDHM O=[N+]([O-])c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168528525 1120229969 /nfs/dbraw/zinc/22/99/69/1120229969.db2.gz UUHADZTUUDSHSG-UHFFFAOYSA-N -1 3 331.719 2.904 20 10 EFCDHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cccc(O)c1[O-] ZINC000193097173 240086953 /nfs/dbraw/zinc/08/69/53/240086953.db2.gz NETDURDMWDQDLK-UHFFFAOYSA-N -1 3 342.395 2.815 20 10 EFCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])c1nc(-c2ccccc2)no1 ZINC000193149362 240087949 /nfs/dbraw/zinc/08/79/49/240087949.db2.gz XWKAJJKHVLGNAA-NSHDSACASA-N -1 3 339.351 2.681 20 10 EFCDHM C[C@H]1CCCN(C(=O)CN(Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000255830828 240311141 /nfs/dbraw/zinc/31/11/41/240311141.db2.gz DGCBYPQYMGJHLO-FUHWJXTLSA-N -1 3 346.471 2.632 20 10 EFCDHM CCOc1cc2c(cc1NC(=O)c1ccc(C)c(O)c1[O-])OCCO2 ZINC000275168006 240744250 /nfs/dbraw/zinc/74/42/50/240744250.db2.gz WHIDJEWUIMYXOW-UHFFFAOYSA-N -1 3 345.351 2.828 20 10 EFCDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000295962005 241069363 /nfs/dbraw/zinc/06/93/63/241069363.db2.gz IIGNACIBMUDCKJ-UHFFFAOYSA-N -1 3 348.790 2.671 20 10 EFCDHM [O-]c1cccc2c1[C@H]([NH2+]Cc1nnc(COc3ccccc3)[n-]1)CC2 ZINC000296409337 241085315 /nfs/dbraw/zinc/08/53/15/241085315.db2.gz KVBLVCAXCIVAKH-OAHLLOKOSA-N -1 3 336.395 2.866 20 10 EFCDHM Cn1c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2nc1C1CC1 ZINC000298562380 241154373 /nfs/dbraw/zinc/15/43/73/241154373.db2.gz ZNSAVBWXGLQFHB-UHFFFAOYSA-N -1 3 337.379 2.792 20 10 EFCDHM COc1ccnc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301209676 241184731 /nfs/dbraw/zinc/18/47/31/241184731.db2.gz SYMXBAWRVMYEBA-CQSZACIVSA-N -1 3 348.834 2.921 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000366494678 242355759 /nfs/dbraw/zinc/35/57/59/242355759.db2.gz ZNCGICJWTQVNEZ-YVEFUNNKSA-N -1 3 341.835 2.824 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000366565813 242356419 /nfs/dbraw/zinc/35/64/19/242356419.db2.gz GIJUMGSGQDJWHZ-SGTLLEGYSA-N -1 3 337.391 2.504 20 10 EFCDHM CCc1nc([C@H]2CCCCN2C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000367983500 242398298 /nfs/dbraw/zinc/39/82/98/242398298.db2.gz PMDPYRCXNSJEQP-GFCCVEGCSA-N -1 3 331.372 2.719 20 10 EFCDHM COCCOC[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177350839 533134700 /nfs/dbraw/zinc/13/47/00/533134700.db2.gz SJVFIXAHNKMVEC-ZDUSSCGKSA-N -1 3 341.835 2.733 20 10 EFCDHM COc1cccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000172536802 533474685 /nfs/dbraw/zinc/47/46/85/533474685.db2.gz ITUUQCIXJKRMKT-QGZVFWFLSA-N -1 3 328.412 2.977 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c([O-])c1O ZINC000177664881 292056202 /nfs/dbraw/zinc/05/62/02/292056202.db2.gz IHYQFKACOJYMLY-INIZCTEOSA-N -1 3 326.396 2.535 20 10 EFCDHM COc1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000184702024 286223147 /nfs/dbraw/zinc/22/31/47/286223147.db2.gz BIYCNVYVYRWWBE-GXTWGEPZSA-N -1 3 329.849 2.761 20 10 EFCDHM C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000191198930 287041413 /nfs/dbraw/zinc/04/14/13/287041413.db2.gz FNWXWVHRYOIFOE-GFCCVEGCSA-N -1 3 349.381 2.753 20 10 EFCDHM Cc1ccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c([O-])c1O ZINC000186437912 301517189 /nfs/dbraw/zinc/51/71/89/301517189.db2.gz NXQRXZVKCNASRB-LJQANCHMSA-N -1 3 325.364 2.678 20 10 EFCDHM CN(Cc1ccccc1[O-])[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088511007 472369117 /nfs/dbraw/zinc/36/91/17/472369117.db2.gz DBWYHZSAHFRXGF-OAHLLOKOSA-N -1 3 332.350 2.908 20 10 EFCDHM C[C@H]1CCCN(C(=O)CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000096970980 472402930 /nfs/dbraw/zinc/40/29/30/472402930.db2.gz DGCBYPQYMGJHLO-WMZOPIPTSA-N -1 3 346.471 2.632 20 10 EFCDHM CCCCn1nnnc1CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000069815978 472442697 /nfs/dbraw/zinc/44/26/97/472442697.db2.gz HYCOHRLTEKSVJO-UHFFFAOYSA-N -1 3 341.415 2.974 20 10 EFCDHM CN1c2ccccc2C(=O)N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000077472045 472532228 /nfs/dbraw/zinc/53/22/28/472532228.db2.gz ZDRFLVDEXALWLB-CQSZACIVSA-N -1 3 349.184 2.739 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC(O)(C(F)(F)F)CC2)c1[O-] ZINC000089968510 472564729 /nfs/dbraw/zinc/56/47/29/472564729.db2.gz SKZIFTFDKOURBL-UHFFFAOYSA-N -1 3 335.297 2.623 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000090003494 472579373 /nfs/dbraw/zinc/57/93/73/472579373.db2.gz ZHXLMYMVHSHJNH-AWEZNQCLSA-N -1 3 345.418 2.922 20 10 EFCDHM CCO[C@@H]1C[C@H](O)C12CCN(Cc1c([O-])cccc1Cl)CC2 ZINC000130247468 472592116 /nfs/dbraw/zinc/59/21/16/472592116.db2.gz SMNYQLQICGFVFX-JKSUJKDBSA-N -1 3 325.836 2.798 20 10 EFCDHM Cc1nc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)oc1C ZINC000131475686 472673588 /nfs/dbraw/zinc/67/35/88/472673588.db2.gz SBWKHUVSQFSAMX-UHFFFAOYSA-N -1 3 335.835 2.968 20 10 EFCDHM Cc1cc(O)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000091811051 472810990 /nfs/dbraw/zinc/81/09/90/472810990.db2.gz CYFKYMJKIQVIHY-UHFFFAOYSA-N -1 3 340.423 2.673 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000091855914 472816336 /nfs/dbraw/zinc/81/63/36/472816336.db2.gz PEEQKGBBFFHMMT-WCQYABFASA-N -1 3 344.820 2.660 20 10 EFCDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)on1 ZINC000134258398 472890615 /nfs/dbraw/zinc/89/06/15/472890615.db2.gz LJMHIPOYJNONEM-AWEZNQCLSA-N -1 3 349.818 2.736 20 10 EFCDHM CCOCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158085391 472890962 /nfs/dbraw/zinc/89/09/62/472890962.db2.gz RZIRIBBGVAXQIN-HNNXBMFYSA-N -1 3 340.851 2.553 20 10 EFCDHM COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])cc1OC ZINC000109773006 473121078 /nfs/dbraw/zinc/12/10/78/473121078.db2.gz VAMJEMKRWCVTGA-ZDUSSCGKSA-N -1 3 344.411 2.868 20 10 EFCDHM COc1cc(Br)cc(CN2CCOC3(CCC3)C2)c1[O-] ZINC000093640009 473128791 /nfs/dbraw/zinc/12/87/91/473128791.db2.gz BVZCCZPTMJOADN-UHFFFAOYSA-N -1 3 342.233 2.918 20 10 EFCDHM COC(=O)[C@@]1(C)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093813397 473146174 /nfs/dbraw/zinc/14/61/74/473146174.db2.gz TUQXJSWUEPATBD-AWEZNQCLSA-N -1 3 328.206 2.540 20 10 EFCDHM CN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1[O-] ZINC000111235629 473198585 /nfs/dbraw/zinc/19/85/85/473198585.db2.gz XPBKFYDNICGVOZ-UHFFFAOYSA-N -1 3 349.434 2.890 20 10 EFCDHM CCC[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000185420681 473422864 /nfs/dbraw/zinc/42/28/64/473422864.db2.gz YHEYDBVXQFCRCI-CYBMUJFWSA-N -1 3 340.445 2.559 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)c([O-])c1O ZINC000185606558 473466621 /nfs/dbraw/zinc/46/66/21/473466621.db2.gz KUBLLOYEWLSXNJ-MRXNPFEDSA-N -1 3 341.407 2.880 20 10 EFCDHM COC(=O)CN(Cc1nc(C)cs1)Cc1cc(Cl)ccc1[O-] ZINC000127026348 473569570 /nfs/dbraw/zinc/56/95/70/473569570.db2.gz PFIXTWQDXLABSG-UHFFFAOYSA-N -1 3 340.832 2.986 20 10 EFCDHM CC(C)N1CC[C@H](N[C@H](C)c2ccc(Br)cc2[O-])C1=O ZINC000186048679 473579661 /nfs/dbraw/zinc/57/96/61/473579661.db2.gz BIZQMAMQBGWMTQ-MFKMUULPSA-N -1 3 341.249 2.815 20 10 EFCDHM C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[O-] ZINC000186144250 473599776 /nfs/dbraw/zinc/59/97/76/473599776.db2.gz JXOPQAHEZNLPEZ-SKDRFNHKSA-N -1 3 334.313 2.735 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(Cn3cncn3)CC2)c1[O-] ZINC000186269187 473633886 /nfs/dbraw/zinc/63/38/86/473633886.db2.gz NGJSCTSUHFWGJI-UHFFFAOYSA-N -1 3 348.834 2.752 20 10 EFCDHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(O)c1[O-] ZINC000186764417 473752255 /nfs/dbraw/zinc/75/22/55/473752255.db2.gz RUIPAZZHZPWNSH-CYBMUJFWSA-N -1 3 332.425 2.726 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000287815710 473767696 /nfs/dbraw/zinc/76/76/96/473767696.db2.gz JXVGMFRBWMETNO-ZACQAIPSSA-N -1 3 339.391 2.743 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1nncn1C ZINC000287831031 473772569 /nfs/dbraw/zinc/77/25/69/473772569.db2.gz QCJLHCDFFHKRFT-JTQLQIEISA-N -1 3 339.237 2.866 20 10 EFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000281655372 473797247 /nfs/dbraw/zinc/79/72/47/473797247.db2.gz KHRNWPCZIXBGCH-SFHVURJKSA-N -1 3 328.368 2.614 20 10 EFCDHM O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc(O)c1[O-] ZINC000187008454 473799962 /nfs/dbraw/zinc/79/99/62/473799962.db2.gz ZORRVDJKNABQKR-UHFFFAOYSA-N -1 3 345.370 2.715 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([O-])c1O ZINC000282164345 473966923 /nfs/dbraw/zinc/96/69/23/473966923.db2.gz QYRJKCBGGGUCEJ-CAPXZKIUSA-N -1 3 333.428 2.808 20 10 EFCDHM COC(=O)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C[C@H]1C ZINC000188101732 473982264 /nfs/dbraw/zinc/98/22/64/473982264.db2.gz QZVDKVPBLKGEJB-MFKMUULPSA-N -1 3 342.233 2.786 20 10 EFCDHM CC/C=C(/C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000181589260 474050259 /nfs/dbraw/zinc/05/02/59/474050259.db2.gz OZBIQWMRJMUQHX-WZUFQYTHSA-N -1 3 325.792 2.904 20 10 EFCDHM COC(=O)c1ccoc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264604556 474056651 /nfs/dbraw/zinc/05/66/51/474056651.db2.gz LDPFLXSMMLYYJF-OAHLLOKOSA-N -1 3 345.395 2.953 20 10 EFCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cccc1C(=O)N1CCCC1 ZINC000188332918 474063181 /nfs/dbraw/zinc/06/31/81/474063181.db2.gz KPDSBXQSJVPPBM-UHFFFAOYSA-N -1 3 340.379 2.895 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCC(C)=O ZINC000282453847 474072397 /nfs/dbraw/zinc/07/23/97/474072397.db2.gz KKIQHTPAKKLDJK-UHFFFAOYSA-N -1 3 328.206 2.872 20 10 EFCDHM Cc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c([O-])c1O ZINC000182276379 474139493 /nfs/dbraw/zinc/13/94/93/474139493.db2.gz NBLQAQQHFOVJED-HNNXBMFYSA-N -1 3 342.395 2.623 20 10 EFCDHM Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)c([O-])c1O ZINC000182398224 474166327 /nfs/dbraw/zinc/16/63/27/474166327.db2.gz QXSIIWXZRKOLIV-UHFFFAOYSA-N -1 3 345.370 2.981 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@](C)(c3ccccc3)C2)c([O-])c1O ZINC000182608239 474215986 /nfs/dbraw/zinc/21/59/86/474215986.db2.gz CVBJBSVNTZJRIE-IBGZPJMESA-N -1 3 327.380 2.794 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(N2CCc3ccccc32)CC1 ZINC000282936969 474246646 /nfs/dbraw/zinc/24/66/46/474246646.db2.gz ZQHIRZGWDIBUHQ-UHFFFAOYSA-N -1 3 338.407 2.765 20 10 EFCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([O-])c1O ZINC000182990948 474302918 /nfs/dbraw/zinc/30/29/18/474302918.db2.gz YBBRZPKJKKRYDI-YOEHRIQHSA-N -1 3 349.333 2.944 20 10 EFCDHM C[C@@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1ncn(C)n1 ZINC000275757569 474308226 /nfs/dbraw/zinc/30/82/26/474308226.db2.gz SORMBYANZQAQQE-DTWKUNHWSA-N -1 3 325.210 2.695 20 10 EFCDHM C[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc(Br)cc1[O-] ZINC000275757565 474308755 /nfs/dbraw/zinc/30/87/55/474308755.db2.gz SORMBYANZQAQQE-BDAKNGLRSA-N -1 3 325.210 2.695 20 10 EFCDHM CCOC(=O)[C@@H](NCc1ccccc1[O-])c1ccc(OC)c(F)c1 ZINC000189672293 474461504 /nfs/dbraw/zinc/46/15/04/474461504.db2.gz OEEVWQCZJGBOAN-KRWDZBQOSA-N -1 3 333.359 2.934 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c([O-])c1O ZINC000271319084 474488449 /nfs/dbraw/zinc/48/84/49/474488449.db2.gz WZFZGWAZLOBCCZ-AWEZNQCLSA-N -1 3 329.352 2.826 20 10 EFCDHM Cc1cc(Br)cc(CN2CCC[C@@](F)(CO)C2)c1[O-] ZINC000289934160 474492246 /nfs/dbraw/zinc/49/22/46/474492246.db2.gz WPNFYCZZGMGULZ-AWEZNQCLSA-N -1 3 332.213 2.760 20 10 EFCDHM [O-]c1ccc(Br)cc1CN[C@@H](CCO)c1ccco1 ZINC000184520212 474535525 /nfs/dbraw/zinc/53/55/25/474535525.db2.gz YDRGDTHKPBZAQB-LBPRGKRZSA-N -1 3 326.190 2.961 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[S@](=O)C[C@H](C)C2)c1[O-] ZINC000277637742 474591510 /nfs/dbraw/zinc/59/15/10/474591510.db2.gz YEYLGYCXXNAOAG-DGIBIBHMSA-N -1 3 346.290 2.664 20 10 EFCDHM CC[C@]1(CO)CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000190218094 474565708 /nfs/dbraw/zinc/56/57/08/474565708.db2.gz MSFRJZITCNAYEH-HNNXBMFYSA-N -1 3 328.796 2.938 20 10 EFCDHM O=C(c1c([O-])c(O)ccc1F)N1CCCN(Cc2ccccc2)CC1 ZINC000276778918 474570774 /nfs/dbraw/zinc/57/07/74/474570774.db2.gz ZDVYENQHYZLJOG-UHFFFAOYSA-N -1 3 344.386 2.585 20 10 EFCDHM COc1c([O-])c(CN(Cc2cccnc2)C2CC2)ccc1[N+](=O)[O-] ZINC000290559574 474577500 /nfs/dbraw/zinc/57/75/00/474577500.db2.gz SHOFPYPIHUBISK-UHFFFAOYSA-N -1 3 329.356 2.869 20 10 EFCDHM COc1cc(Cl)cc(CN2CCCN(C(=O)C(C)C)CC2)c1[O-] ZINC000184682563 474583274 /nfs/dbraw/zinc/58/32/74/474583274.db2.gz FILDMRXJHGBROC-UHFFFAOYSA-N -1 3 340.851 2.745 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(c2ccccc2Cl)CC1 ZINC000277714733 474593420 /nfs/dbraw/zinc/59/34/20/474593420.db2.gz XOLLSXLTCSXPNT-UHFFFAOYSA-N -1 3 347.798 2.875 20 10 EFCDHM COc1c([O-])c(CN2CCS[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219071 474604192 /nfs/dbraw/zinc/60/41/92/474604192.db2.gz LIMWWOANMPKVDT-ZDUSSCGKSA-N -1 3 326.418 2.882 20 10 EFCDHM COc1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1O ZINC000278270155 474605632 /nfs/dbraw/zinc/60/56/32/474605632.db2.gz ROGWANCIHPRWEB-UHFFFAOYSA-N -1 3 348.355 2.655 20 10 EFCDHM COc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1[O-] ZINC000272599976 474619283 /nfs/dbraw/zinc/61/92/83/474619283.db2.gz KKNAIOGXAPEZTA-UHFFFAOYSA-N -1 3 326.396 2.713 20 10 EFCDHM COc1c([O-])c(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560954 474619926 /nfs/dbraw/zinc/61/99/26/474619926.db2.gz NBCMQXAYGWMUBN-XJKSGUPXSA-N -1 3 336.388 2.698 20 10 EFCDHM CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272812540 474626562 /nfs/dbraw/zinc/62/65/62/474626562.db2.gz NPLXZQCLPKOVFE-UHFFFAOYSA-N -1 3 343.379 2.612 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000267447224 474668864 /nfs/dbraw/zinc/66/88/64/474668864.db2.gz KLVKGBRKFGSJLP-TZMCWYRMSA-N -1 3 335.297 2.622 20 10 EFCDHM Cc1ccc(C(=O)NC[C@]2(C)OCCc3sccc32)c([O-])c1O ZINC000291891174 474736335 /nfs/dbraw/zinc/73/63/35/474736335.db2.gz JPGPLAXRFLWGNN-KRWDZBQOSA-N -1 3 333.409 2.686 20 10 EFCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278675516 474770463 /nfs/dbraw/zinc/77/04/63/474770463.db2.gz JMTCZLAHIYTGOB-AMIZOPFISA-N -1 3 330.215 2.817 20 10 EFCDHM Cc1ccc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000273226942 474788948 /nfs/dbraw/zinc/78/89/48/474788948.db2.gz USQFLQCRLCVQFI-UHFFFAOYSA-N -1 3 326.396 2.677 20 10 EFCDHM COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000278868520 474882210 /nfs/dbraw/zinc/88/22/10/474882210.db2.gz MSXPEZZPMBZMML-UHFFFAOYSA-N -1 3 348.355 2.616 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(OC)c(O)c2)c1 ZINC000273584413 474976236 /nfs/dbraw/zinc/97/62/36/474976236.db2.gz NKBQGKAWRPCQQS-LLVKDONJSA-N -1 3 331.368 2.744 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC(C3(C)OCCO3)CC2)c1[O-] ZINC000268437977 474977499 /nfs/dbraw/zinc/97/74/99/474977499.db2.gz FNYYKSXLZHNPNL-UHFFFAOYSA-N -1 3 337.391 2.709 20 10 EFCDHM COC(CCCC(C)(C)CNC(=O)c1cccc(O)c1[O-])OC ZINC000279749815 474989570 /nfs/dbraw/zinc/98/95/70/474989570.db2.gz OKSGDYLMMHEHSI-UHFFFAOYSA-N -1 3 325.405 2.643 20 10 EFCDHM C[C@@H](N[C@H](C)c1cc(Br)ccc1[O-])c1nncn1C ZINC000273614684 474991585 /nfs/dbraw/zinc/99/15/85/474991585.db2.gz WZWRDVAEBKIUOB-RKDXNWHRSA-N -1 3 325.210 2.695 20 10 EFCDHM COc1ccccc1OC[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000279847364 474996202 /nfs/dbraw/zinc/99/62/02/474996202.db2.gz OSEHRLJCAPIYLR-LBPRGKRZSA-N -1 3 331.368 2.551 20 10 EFCDHM Cc1cccc(CC2(O)CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000280278471 475018933 /nfs/dbraw/zinc/01/89/33/475018933.db2.gz QDOBUMPGIJRGNY-UHFFFAOYSA-N -1 3 341.407 2.616 20 10 EFCDHM O=C(NC1CCC(O)(c2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000280529350 475031813 /nfs/dbraw/zinc/03/18/13/475031813.db2.gz ROTBHDQSXKNEFJ-UHFFFAOYSA-N -1 3 327.380 2.658 20 10 EFCDHM CC(C)[C@H](NCc1cc(Br)ccc1[O-])c1nncn1C ZINC000285608505 475032767 /nfs/dbraw/zinc/03/27/67/475032767.db2.gz VSWYRKFAGYSENR-ZDUSSCGKSA-N -1 3 339.237 2.770 20 10 EFCDHM O=C1NCCCN(Cc2cccc(Cl)c2[O-])[C@H]1Cc1ccccc1 ZINC000293731262 475050670 /nfs/dbraw/zinc/05/06/70/475050670.db2.gz UUSZACVMSTWNFT-KRWDZBQOSA-N -1 3 344.842 2.979 20 10 EFCDHM O=C(NCc1c(F)cccc1N1CCCC1)c1cccc(O)c1[O-] ZINC000286318225 475059651 /nfs/dbraw/zinc/05/96/51/475059651.db2.gz KVEGDJGFBVTNKD-UHFFFAOYSA-N -1 3 330.359 2.767 20 10 EFCDHM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC000294925559 475091226 /nfs/dbraw/zinc/09/12/26/475091226.db2.gz GXQILLRVYLURRA-ZBEGNZNMSA-N -1 3 332.375 2.658 20 10 EFCDHM CC1(C)C[C@@H](O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295150421 475107244 /nfs/dbraw/zinc/10/72/44/475107244.db2.gz COVMCTLSZAJTJD-LBPRGKRZSA-N -1 3 328.796 2.937 20 10 EFCDHM COc1cc(Cl)cc(CN2CCc3ccccc3[C@H]2C(N)=O)c1[O-] ZINC000359956810 476276884 /nfs/dbraw/zinc/27/68/84/476276884.db2.gz FPMTYHFQYCSLFW-INIZCTEOSA-N -1 3 346.814 2.639 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3C)C2)c([O-])c1O ZINC000374756108 476516691 /nfs/dbraw/zinc/51/66/91/476516691.db2.gz WVGGBOYCZVBREL-INIZCTEOSA-N -1 3 327.380 2.928 20 10 EFCDHM COc1c([O-])c(CN[C@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000364670934 476541231 /nfs/dbraw/zinc/54/12/31/476541231.db2.gz GENMGTDWHOCCSS-HNNXBMFYSA-N -1 3 343.383 2.585 20 10 EFCDHM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cccc(O)c1[O-] ZINC000375678510 476950369 /nfs/dbraw/zinc/95/03/69/476950369.db2.gz MBTPZVRZBYGDEG-QGZVFWFLSA-N -1 3 327.380 2.996 20 10 EFCDHM O=C(Cc1ccco1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000371214999 477181636 /nfs/dbraw/zinc/18/16/36/477181636.db2.gz HNYLUAZHPLJZBJ-OAHLLOKOSA-N -1 3 348.830 2.962 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[C@@H](n3cncn3)C2)c1[O-] ZINC000377278734 477720871 /nfs/dbraw/zinc/72/08/71/477720871.db2.gz QZHNXMVAKYWODY-CYBMUJFWSA-N -1 3 337.221 2.502 20 10 EFCDHM CCn1nncc1CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000527918645 478570951 /nfs/dbraw/zinc/57/09/51/478570951.db2.gz CHEQCVLEZLFBJG-VIFPVBQESA-N -1 3 325.210 2.617 20 10 EFCDHM CCn1nncc1CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000527920433 478571905 /nfs/dbraw/zinc/57/19/05/478571905.db2.gz PBIOUVMLSREHHG-QMMMGPOBSA-N -1 3 343.200 2.756 20 10 EFCDHM C[C@@H](NC(c1nccn1C)c1nccn1C)c1ccc(Cl)cc1[O-] ZINC000527945231 478579151 /nfs/dbraw/zinc/57/91/51/478579151.db2.gz GQLRSPNHFFFONH-LLVKDONJSA-N -1 3 345.834 2.953 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c([O-])c1O ZINC000177680958 534262444 /nfs/dbraw/zinc/26/24/44/534262444.db2.gz BSIUHQNKHLQNKP-HNNXBMFYSA-N -1 3 331.343 2.759 20 10 EFCDHM O=C(NC1(c2cccc(F)c2)CCOCC1)c1cccc(O)c1[O-] ZINC000185758738 534786607 /nfs/dbraw/zinc/78/66/07/534786607.db2.gz ZQGRCNPDKXNIFI-UHFFFAOYSA-N -1 3 331.343 2.673 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(N(C)C(C)=O)CC2)c1[O-] ZINC000177047607 527207150 /nfs/dbraw/zinc/20/71/50/527207150.db2.gz IAWZQPVJUUQCIZ-UHFFFAOYSA-N -1 3 338.835 2.691 20 10 EFCDHM CC(=O)c1cc(F)cc(CNC2(c3noc(C)n3)CCCC2)c1[O-] ZINC000177268866 527211804 /nfs/dbraw/zinc/21/18/04/527211804.db2.gz JXCGJYPYPZUYJK-UHFFFAOYSA-N -1 3 333.363 2.984 20 10 EFCDHM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000177677568 528064033 /nfs/dbraw/zinc/06/40/33/528064033.db2.gz OOXBQMDWJUBMOG-KBPBESRZSA-N -1 3 348.443 2.563 20 10 EFCDHM CCCCN(Cc1c([O-])cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000160777475 528442189 /nfs/dbraw/zinc/44/21/89/528442189.db2.gz XVRCRPQYOQKPGZ-LBPRGKRZSA-N -1 3 331.865 2.835 20 10 EFCDHM COC(=O)CCCc1csc(NC(=O)c2cc([O-])cs2)n1 ZINC000755863871 575646718 /nfs/dbraw/zinc/64/67/18/575646718.db2.gz CTSKNDNVNMNNKV-UHFFFAOYSA-N -1 3 326.399 2.658 20 10 EFCDHM C[C@H](NCC(=O)N(C)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756433163 575738497 /nfs/dbraw/zinc/73/84/97/575738497.db2.gz NKWHGNIGSNXSJT-LBPRGKRZSA-N -1 3 334.366 2.980 20 10 EFCDHM COCCOc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756433126 575738530 /nfs/dbraw/zinc/73/85/30/575738530.db2.gz NHICZQGWUUHLSZ-GFCCVEGCSA-N -1 3 347.371 2.571 20 10 EFCDHM C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756433160 575738545 /nfs/dbraw/zinc/73/85/45/575738545.db2.gz NKWHGNIGSNXSJT-GFCCVEGCSA-N -1 3 334.366 2.980 20 10 EFCDHM CCN(CC)C(=O)CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756454151 575741897 /nfs/dbraw/zinc/74/18/97/575741897.db2.gz BBLLCWDVNCJANI-SECBINFHSA-N -1 3 347.228 2.813 20 10 EFCDHM C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000756456714 575742222 /nfs/dbraw/zinc/74/22/22/575742222.db2.gz OFIUOVHKENOGQE-CYBMUJFWSA-N -1 3 337.416 2.797 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc3c2OCO3)c1 ZINC000756458221 575742588 /nfs/dbraw/zinc/74/25/88/575742588.db2.gz KMECJBYLXVVQMQ-LLVKDONJSA-N -1 3 329.352 2.758 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CO)c2ccccc2C)c1 ZINC000756635684 575771145 /nfs/dbraw/zinc/77/11/45/575771145.db2.gz GZQWPGKKBJNNIQ-CXAGYDPISA-N -1 3 329.396 2.871 20 10 EFCDHM C[C@H](N[C@@H]1CCCN(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756637879 575771449 /nfs/dbraw/zinc/77/14/49/575771449.db2.gz KLIVIHCQXPHRFG-QPUJVOFHSA-N -1 3 345.212 2.565 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc3c2OCCO3)c1 ZINC000756702956 575778752 /nfs/dbraw/zinc/77/87/52/575778752.db2.gz CXEQCQNWUUFHFF-LBPRGKRZSA-N -1 3 343.379 2.801 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CO)c2cccc(F)c2)c1 ZINC000756711036 575780066 /nfs/dbraw/zinc/78/00/66/575780066.db2.gz HKENUYUFNGGNIK-BZNIZROVSA-N -1 3 333.359 2.702 20 10 EFCDHM C[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756769349 575785582 /nfs/dbraw/zinc/78/55/82/575785582.db2.gz KMOLZTFSJXIBLW-YUMQZZPRSA-N -1 3 326.245 2.783 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(-c3ccccn3)c2)c1 ZINC000756858189 575794106 /nfs/dbraw/zinc/79/41/06/575794106.db2.gz RLHCFPKIHQDXPA-GFCCVEGCSA-N -1 3 338.367 2.933 20 10 EFCDHM CCOc1ccc(CN2CCN(Cc3cccnc3)CC2)c([O-])c1 ZINC000757877337 575855042 /nfs/dbraw/zinc/85/50/42/575855042.db2.gz YYCQQKJUSNKEPU-UHFFFAOYSA-N -1 3 327.428 2.504 20 10 EFCDHM CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000757914858 575855686 /nfs/dbraw/zinc/85/56/86/575855686.db2.gz UOIBTNKFXFSDIF-HNNXBMFYSA-N -1 3 346.452 2.663 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCC(F)(F)F ZINC000761000405 576099414 /nfs/dbraw/zinc/09/94/14/576099414.db2.gz BDOUOMAICJTCIQ-UHFFFAOYSA-N -1 3 336.697 2.762 20 10 EFCDHM COc1cc(Cl)cc(CN2CCO[C@@H](C(F)(F)F)C2)c1[O-] ZINC000761201844 576128939 /nfs/dbraw/zinc/12/89/39/576128939.db2.gz GYWDCPJXMRFBQA-LLVKDONJSA-N -1 3 325.714 2.817 20 10 EFCDHM Cc1cncc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)c1 ZINC000761311982 576144535 /nfs/dbraw/zinc/14/45/35/576144535.db2.gz AHQBPVHQMWOECI-UHFFFAOYSA-N -1 3 345.786 2.713 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCCSC1 ZINC000761508911 576172815 /nfs/dbraw/zinc/17/28/15/576172815.db2.gz WRSXICXYYZLOTK-GFCCVEGCSA-N -1 3 340.832 2.705 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1OCc1ccccc1 ZINC000762398816 576298291 /nfs/dbraw/zinc/29/82/91/576298291.db2.gz WTKBHTAKIOSENY-UHFFFAOYSA-N -1 3 346.770 2.942 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CCC[C@@H](S(C)(=O)=O)C3)c2c1 ZINC000763379826 576374997 /nfs/dbraw/zinc/37/49/97/576374997.db2.gz GCOFEEJPXVLMGK-OAHLLOKOSA-N -1 3 349.452 2.563 20 10 EFCDHM C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCS(=O)(=O)C1 ZINC000763669783 576385701 /nfs/dbraw/zinc/38/57/01/576385701.db2.gz BLPXPFBKLJADSG-OAHLLOKOSA-N -1 3 345.464 2.926 20 10 EFCDHM CS(=O)(=O)CC1(CN(Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000767426857 577208106 /nfs/dbraw/zinc/20/81/06/577208106.db2.gz UDRAQKUCMIMCEC-UHFFFAOYSA-N -1 3 349.452 2.812 20 10 EFCDHM CCN(CC(=O)Nc1cccc(OC)c1)Cc1c([O-])cccc1OC ZINC000768171308 577259164 /nfs/dbraw/zinc/25/91/64/577259164.db2.gz BQZCMYWHPYJKKC-UHFFFAOYSA-N -1 3 344.411 2.870 20 10 EFCDHM CCOc1ccc(CN2CCN(Cc3csc(C)n3)CC2)c([O-])c1 ZINC000768223650 577261502 /nfs/dbraw/zinc/26/15/02/577261502.db2.gz MPOKGSQRUHAGAL-UHFFFAOYSA-N -1 3 347.484 2.874 20 10 EFCDHM CCOc1ccc(CN2CCC[C@H]2C(=O)NCc2ccco2)c([O-])c1 ZINC000768249679 577262985 /nfs/dbraw/zinc/26/29/85/577262985.db2.gz ZOOOJOIVTLXRDJ-KRWDZBQOSA-N -1 3 344.411 2.665 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCOC3(C1)CCCCCC3)[C@H](O)CO2 ZINC000768461297 577275741 /nfs/dbraw/zinc/27/57/41/577275741.db2.gz AGJVAISZDGEUJR-QGZVFWFLSA-N -1 3 333.428 2.743 20 10 EFCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H](c2ccsc2)O1 ZINC000768462574 577276037 /nfs/dbraw/zinc/27/60/37/577276037.db2.gz ALJYHTJRILSUIC-DPZKZMLUSA-N -1 3 347.436 2.842 20 10 EFCDHM COc1cccc([O-])c1CN1CCN([C@@H](C)c2nccs2)CC1 ZINC000768529433 577280756 /nfs/dbraw/zinc/28/07/56/577280756.db2.gz WVNZABJLBZXKES-ZDUSSCGKSA-N -1 3 333.457 2.736 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000768902525 577315445 /nfs/dbraw/zinc/31/54/45/577315445.db2.gz WBLPPXFFZZSQAH-UHFFFAOYSA-N -1 3 343.383 2.631 20 10 EFCDHM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cc([O-])cs1 ZINC000769331423 577352799 /nfs/dbraw/zinc/35/27/99/577352799.db2.gz VZHQGNICPCVSQO-UHFFFAOYSA-N -1 3 345.380 2.684 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769395498 577358621 /nfs/dbraw/zinc/35/86/21/577358621.db2.gz IFIYQQIHVBVKLY-ZDUSSCGKSA-N -1 3 336.432 2.842 20 10 EFCDHM COc1cc(Br)cc(CN2CCCOC[C@H]2C)c1[O-] ZINC000769458434 577363385 /nfs/dbraw/zinc/36/33/85/577363385.db2.gz UQYBWANWEYEAID-SNVBAGLBSA-N -1 3 330.222 2.774 20 10 EFCDHM CCOc1ccc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c([O-])c1 ZINC000769482882 577365937 /nfs/dbraw/zinc/36/59/37/577365937.db2.gz KPPRMSZOPWQYDF-DOTOQJQBSA-N -1 3 341.473 2.579 20 10 EFCDHM CCN1C(=O)c2ccccc2N[C@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000726797010 577386807 /nfs/dbraw/zinc/38/68/07/577386807.db2.gz QDNSBTNVDBWMSU-MRXNPFEDSA-N -1 3 326.352 2.765 20 10 EFCDHM COc1cccc([O-])c1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000770349244 577412209 /nfs/dbraw/zinc/41/22/09/577412209.db2.gz FMLPAOHSCXMBMF-VQIMIIECSA-N -1 3 343.423 2.725 20 10 EFCDHM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc([O-])cs1 ZINC000748856931 577424700 /nfs/dbraw/zinc/42/47/00/577424700.db2.gz GGKHXNWYJPUDSC-UHFFFAOYSA-N -1 3 336.379 2.848 20 10 EFCDHM COC(=O)C[C@@]1(NCc2cc(Cl)cc(Cl)c2[O-])CCCOC1 ZINC000770674304 581124333 /nfs/dbraw/zinc/12/43/33/581124333.db2.gz BOVVKDQIXMICNF-HNNXBMFYSA-N -1 3 348.226 2.901 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN3CCOc4cccc2c43)c1[O-] ZINC000771476343 581215780 /nfs/dbraw/zinc/21/57/80/581215780.db2.gz ZUYMFPOAXRBHMT-UHFFFAOYSA-N -1 3 342.370 2.953 20 10 EFCDHM CCN(CC(=O)Nc1ccccc1OC)Cc1c([O-])cccc1OC ZINC000771929023 581260749 /nfs/dbraw/zinc/26/07/49/581260749.db2.gz RCNIDTCFGMHUDZ-UHFFFAOYSA-N -1 3 344.411 2.870 20 10 EFCDHM O=C(Cc1ccoc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000773407389 581427653 /nfs/dbraw/zinc/42/76/53/581427653.db2.gz LPBYSCOFSMMPMA-INIZCTEOSA-N -1 3 348.830 2.962 20 10 EFCDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000737271462 599064672 /nfs/dbraw/zinc/06/46/72/599064672.db2.gz VNBQUSTYIFBMKB-UHFFFAOYSA-N -1 3 326.379 2.992 20 10 EFCDHM Cc1c(NC(=O)N(C)Cc2ccccc2O)cccc1-c1nnn[n-]1 ZINC000822076232 607290742 /nfs/dbraw/zinc/29/07/42/607290742.db2.gz MQCKOHJNPUKQFJ-UHFFFAOYSA-N -1 3 338.371 2.545 20 10 EFCDHM Cc1c(NC(=O)N(C)Cc2ccccc2O)cccc1-c1nn[n-]n1 ZINC000822076232 607290743 /nfs/dbraw/zinc/29/07/43/607290743.db2.gz MQCKOHJNPUKQFJ-UHFFFAOYSA-N -1 3 338.371 2.545 20 10 EFCDHM CCN(C(=O)C1=CC(=O)CS1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160866 599456373 /nfs/dbraw/zinc/45/63/73/599456373.db2.gz RNJOAZWYYXQBRL-JTQLQIEISA-N -1 3 343.412 2.857 20 10 EFCDHM C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000393047904 600313526 /nfs/dbraw/zinc/31/35/26/600313526.db2.gz KMLHDBCLZAGOMR-AQGQNPDFSA-N -1 3 345.399 2.756 20 10 EFCDHM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(N2CCOCC2)cc1 ZINC000830831438 601939355 /nfs/dbraw/zinc/93/93/55/601939355.db2.gz XVGOXYRPXFBYQD-UHFFFAOYSA-N -1 3 346.452 2.915 20 10 EFCDHM CN(C)c1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1F ZINC000830635881 604466557 /nfs/dbraw/zinc/46/65/57/604466557.db2.gz UAVYBAHMDMUSQV-SFHVURJKSA-N -1 3 328.387 2.903 20 10 EFCDHM CN(C)c1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1F ZINC000830635879 604466901 /nfs/dbraw/zinc/46/69/01/604466901.db2.gz UAVYBAHMDMUSQV-GOSISDBHSA-N -1 3 328.387 2.903 20 10 EFCDHM CCN1C[C@H](C)N(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000833659152 605119590 /nfs/dbraw/zinc/11/95/90/605119590.db2.gz YITUFQWNKMEGJI-DZTBXEGKSA-N -1 3 333.388 2.612 20 10 EFCDHM COc1ccc(N(C)Cc2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC000826209286 607753956 /nfs/dbraw/zinc/75/39/56/607753956.db2.gz VAKVTSOZOHUVLH-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM COc1ccc(N(C)Cc2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC000826209286 607753957 /nfs/dbraw/zinc/75/39/57/607753957.db2.gz VAKVTSOZOHUVLH-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM Cc1ccc(-c2nnn[n-]2)c(NCCCSc2nccs2)n1 ZINC000826276689 608288896 /nfs/dbraw/zinc/28/88/96/608288896.db2.gz RSGPUWQCIDXPOS-UHFFFAOYSA-N -1 3 333.446 2.621 20 10 EFCDHM Cc1ccc(-c2nn[n-]n2)c(NCCCSc2nccs2)n1 ZINC000826276689 608288897 /nfs/dbraw/zinc/28/88/97/608288897.db2.gz RSGPUWQCIDXPOS-UHFFFAOYSA-N -1 3 333.446 2.621 20 10 EFCDHM Oc1ccccc1CN(Cc1ccco1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826511165 608540719 /nfs/dbraw/zinc/54/07/19/608540719.db2.gz FGWCRACULBEWQB-UHFFFAOYSA-N -1 3 348.366 2.767 20 10 EFCDHM Oc1ccccc1CN(Cc1ccco1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826511165 608540720 /nfs/dbraw/zinc/54/07/20/608540720.db2.gz FGWCRACULBEWQB-UHFFFAOYSA-N -1 3 348.366 2.767 20 10 EFCDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)C)cc1 ZINC000825632709 609475193 /nfs/dbraw/zinc/47/51/93/609475193.db2.gz ZUHDMKLFZKTCPI-UHFFFAOYSA-N -1 3 338.415 2.944 20 10 EFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N(C)C)cc1 ZINC000825632709 609475195 /nfs/dbraw/zinc/47/51/95/609475195.db2.gz ZUHDMKLFZKTCPI-UHFFFAOYSA-N -1 3 338.415 2.944 20 10 EFCDHM Cc1ccnc(N(Cc2ccc(N(C)C)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826309011 609537364 /nfs/dbraw/zinc/53/73/64/609537364.db2.gz AFXPMFSASRNNDK-UHFFFAOYSA-N -1 3 349.442 2.805 20 10 EFCDHM Cc1ccnc(N(Cc2ccc(N(C)C)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826309011 609537366 /nfs/dbraw/zinc/53/73/66/609537366.db2.gz AFXPMFSASRNNDK-UHFFFAOYSA-N -1 3 349.442 2.805 20 10 EFCDHM O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1cccc(F)c1[O-] ZINC001273304550 1266087893 /nfs/dbraw/zinc/08/78/93/1266087893.db2.gz NPWRHOOTLIGXRG-OAHLLOKOSA-N -1 3 346.324 2.661 20 10 EFCDHM COc1ccnc(N2CCN(Cc3c([O-])cccc3Cl)CC2)c1 ZINC000131648546 1260443915 /nfs/dbraw/zinc/44/39/15/1260443915.db2.gz SMXOWVXZEPBHMR-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM NC(=O)CN(Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000093358372 1266371547 /nfs/dbraw/zinc/37/15/47/1266371547.db2.gz RHYGLDPVSLADJV-UHFFFAOYSA-N -1 3 349.228 2.642 20 10 EFCDHM [O-]c1cc(Br)ccc1CN(CCCO)CC(F)(F)F ZINC000824710620 1278258025 /nfs/dbraw/zinc/25/80/25/1278258025.db2.gz WWCZKZYOBQKCHF-UHFFFAOYSA-N -1 3 342.155 2.901 20 10 EFCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1Cl ZINC000824807202 1278293425 /nfs/dbraw/zinc/29/34/25/1278293425.db2.gz CQHLPGUIDLSRHB-HOCLYGCPSA-N -1 3 343.876 2.896 20 10 EFCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000824807198 1278293442 /nfs/dbraw/zinc/29/34/42/1278293442.db2.gz CQHLPGUIDLSRHB-GOEBONIOSA-N -1 3 343.876 2.896 20 10 EFCDHM COCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000825035046 1278391764 /nfs/dbraw/zinc/39/17/64/1278391764.db2.gz ALDRPQLJRHHPBA-UHFFFAOYSA-N -1 3 332.356 2.962 20 10 EFCDHM O=C(NCCc1ccc(Br)s1)c1cccc(O)c1[O-] ZINC000187020679 1268938237 /nfs/dbraw/zinc/93/82/37/1268938237.db2.gz VXWYTXRAXGRHEB-UHFFFAOYSA-N -1 3 342.214 2.894 20 10 EFCDHM O=C1NCCN(Cc2c([O-])ccc3ccncc32)[C@H]1c1cccs1 ZINC000743383936 1270559209 /nfs/dbraw/zinc/55/92/09/1270559209.db2.gz WGYCHNQXTRLHOY-KRWDZBQOSA-N -1 3 339.420 2.675 20 10 EFCDHM CCc1cnc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])o1 ZINC000744401654 1271025205 /nfs/dbraw/zinc/02/52/05/1271025205.db2.gz GAPDYKHZMXDDNT-UHFFFAOYSA-N -1 3 338.791 2.771 20 10 EFCDHM O=C1CCCN1[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167133 1278609164 /nfs/dbraw/zinc/60/91/64/1278609164.db2.gz AUQMNTMNFQAZTI-LLVKDONJSA-N -1 3 326.799 2.772 20 10 EFCDHM CCCN(Cc1cc(Cl)ccc1[O-])[C@H](COC)C(=O)OCC ZINC000792189005 1278627687 /nfs/dbraw/zinc/62/76/87/1278627687.db2.gz ZQZKHGTWJHUHIE-CQSZACIVSA-N -1 3 329.824 2.836 20 10 EFCDHM [O-]c1cccc(F)c1CN1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001137832799 1271383260 /nfs/dbraw/zinc/38/32/60/1271383260.db2.gz IBQWJEOKMUOFAH-STQMWFEESA-N -1 3 325.277 2.759 20 10 EFCDHM CCCN(Cc1cc(Cl)ccc1[O-])[C@@H](COC)C(=O)OCC ZINC000792189003 1278629538 /nfs/dbraw/zinc/62/95/38/1278629538.db2.gz ZQZKHGTWJHUHIE-AWEZNQCLSA-N -1 3 329.824 2.836 20 10 EFCDHM COCCC[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000792553416 1278850571 /nfs/dbraw/zinc/85/05/71/1278850571.db2.gz VBOFEGKFGJNATD-OAHLLOKOSA-N -1 3 329.396 2.866 20 10 EFCDHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1ccc(O)c(O)c1 ZINC000787131092 1275674396 /nfs/dbraw/zinc/67/43/96/1275674396.db2.gz GVGVTSFUNSDEDC-UHFFFAOYSA-N -1 3 333.359 2.624 20 10 EFCDHM CC(C)(C)OC(=O)N1CC(NCc2c([O-])ccc(Cl)c2F)C1 ZINC000790972873 1279068844 /nfs/dbraw/zinc/06/88/44/1279068844.db2.gz ITVILTGGUZTTAL-UHFFFAOYSA-N -1 3 330.787 2.894 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000790415315 1277527759 /nfs/dbraw/zinc/52/77/59/1277527759.db2.gz DAFTZVUDIKZZDV-UHFFFAOYSA-N -1 3 335.381 2.527 20 10 EFCDHM COc1ccccc1-c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000790598007 1277670482 /nfs/dbraw/zinc/67/04/82/1277670482.db2.gz IIPNODWKCOKGMO-UHFFFAOYSA-N -1 3 325.324 2.749 20 10 EFCDHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790706392 1277735619 /nfs/dbraw/zinc/73/56/19/1277735619.db2.gz DGXPZTQQPHSWOG-UHFFFAOYSA-N -1 3 349.408 2.673 20 10 EFCDHM CCOCCOc1cc(C)ccc1CNC(=O)c1cccc(O)c1[O-] ZINC000790875825 1277818432 /nfs/dbraw/zinc/81/84/32/1277818432.db2.gz WIQDUIDCFURGTC-UHFFFAOYSA-N -1 3 345.395 2.752 20 10 EFCDHM O=C(CNCc1c([O-])ccc(Cl)c1F)N1CCc2ccccc21 ZINC000790959962 1277880561 /nfs/dbraw/zinc/88/05/61/1277880561.db2.gz NSEUJGQXVSDYFI-UHFFFAOYSA-N -1 3 334.778 2.864 20 10 EFCDHM O=C1NCCc2ccc(CNCc3c([O-])ccc(Cl)c3F)cc21 ZINC000790986157 1277890491 /nfs/dbraw/zinc/89/04/91/1277890491.db2.gz HZJKKNINFSIFGR-UHFFFAOYSA-N -1 3 334.778 2.760 20 10 EFCDHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(N2CCCC2)cc1 ZINC000822495630 1289014621 /nfs/dbraw/zinc/01/46/21/1289014621.db2.gz JZZXDNLKSLAUCW-UHFFFAOYSA-N -1 3 328.387 2.990 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@@]1(C)O ZINC001144298558 1279385985 /nfs/dbraw/zinc/38/59/85/1279385985.db2.gz GQTZEBCZZWSFOO-YMTOWFKASA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@H]1CC[C@H](CO)CN1Cc1cc(Br)c(F)cc1[O-] ZINC001144299145 1279386489 /nfs/dbraw/zinc/38/64/89/1279386489.db2.gz QKMCUOCROFXNPV-UWVGGRQHSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C1 ZINC000793585593 1279758433 /nfs/dbraw/zinc/75/84/33/1279758433.db2.gz BTIZOMGHYLXONE-WDEREUQCSA-N -1 3 333.259 2.586 20 10 EFCDHM O=C(Nc1ccc(NC(=O)c2cccc(O)c2[O-])nc1)c1ccccc1 ZINC000794202714 1280070382 /nfs/dbraw/zinc/07/03/82/1280070382.db2.gz HQSIDDHGCLHGJD-UHFFFAOYSA-N -1 3 349.346 2.997 20 10 EFCDHM CCC[C@]1(C)CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846248977 1280085068 /nfs/dbraw/zinc/08/50/68/1280085068.db2.gz KPUVZTDMAYSKIA-QGZVFWFLSA-N -1 3 332.404 2.535 20 10 EFCDHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cc(Cl)ccc1O ZINC000846477637 1280194471 /nfs/dbraw/zinc/19/44/71/1280194471.db2.gz VIGKUUMJVDHENQ-UHFFFAOYSA-N -1 3 335.791 2.903 20 10 EFCDHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000846974218 1280654241 /nfs/dbraw/zinc/65/42/41/1280654241.db2.gz SQZIFTSEAWRSFA-BVUBDWEXSA-N -1 3 333.428 2.890 20 10 EFCDHM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000846974221 1280656185 /nfs/dbraw/zinc/65/61/85/1280656185.db2.gz SQZIFTSEAWRSFA-OEAJRASXSA-N -1 3 333.428 2.890 20 10 EFCDHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1ccccc1C ZINC000805609551 1280670415 /nfs/dbraw/zinc/67/04/15/1280670415.db2.gz STYDEELWGZSVRV-UHFFFAOYSA-N -1 3 338.367 2.560 20 10 EFCDHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1ccccc1C ZINC000805609551 1280670421 /nfs/dbraw/zinc/67/04/21/1280670421.db2.gz STYDEELWGZSVRV-UHFFFAOYSA-N -1 3 338.367 2.560 20 10 EFCDHM COc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])on1 ZINC001146943154 1281071509 /nfs/dbraw/zinc/07/15/09/1281071509.db2.gz XISZIIXKEBDSMG-UHFFFAOYSA-N -1 3 333.731 2.520 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(=O)[nH]1 ZINC001147306040 1281149109 /nfs/dbraw/zinc/14/91/09/1281149109.db2.gz PSKCYWXDMFQNMM-UHFFFAOYSA-N -1 3 329.743 2.624 20 10 EFCDHM COc1ccc(-c2ccccn2)nc1NC(=O)c1cccc(O)c1[O-] ZINC001148212934 1281453958 /nfs/dbraw/zinc/45/39/58/1281453958.db2.gz PKYZSPPJBVWXKI-UHFFFAOYSA-N -1 3 337.335 2.816 20 10 EFCDHM CCOC(=O)c1sc(NC(=O)c2cccc(O)c2[O-])nc1C1CC1 ZINC001148212205 1281454042 /nfs/dbraw/zinc/45/40/42/1281454042.db2.gz QTUOSIOUMVRSCS-UHFFFAOYSA-N -1 3 348.380 2.861 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001148213572 1281454100 /nfs/dbraw/zinc/45/41/00/1281454100.db2.gz HJLWTMNYOCQIBJ-UHFFFAOYSA-N -1 3 331.412 2.909 20 10 EFCDHM O=C(Nc1cc(Br)cc2n[nH]cc21)c1cccc(O)c1[O-] ZINC001148218446 1281456552 /nfs/dbraw/zinc/45/65/52/1281456552.db2.gz BEIGHDCVMUSWSC-UHFFFAOYSA-N -1 3 348.156 2.989 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001148218796 1281457046 /nfs/dbraw/zinc/45/70/46/1281457046.db2.gz LLHCYLRIKPGPBJ-AWEZNQCLSA-N -1 3 333.771 2.965 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ccc3[nH]ccc3c2)CC1 ZINC001148218605 1281457363 /nfs/dbraw/zinc/45/73/63/1281457363.db2.gz HIOIEPGSXJGXOJ-UHFFFAOYSA-N -1 3 337.379 2.542 20 10 EFCDHM COC(=O)[C@H]1CCc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC001148220134 1281457415 /nfs/dbraw/zinc/45/74/15/1281457415.db2.gz SIQMQWDGRPAEEB-ZDUSSCGKSA-N -1 3 327.336 2.553 20 10 EFCDHM Cc1ccc([C@]2(C)CN(C(=O)c3cccc(O)c3[O-])CCO2)cc1 ZINC001148218794 1281457515 /nfs/dbraw/zinc/45/75/15/1281457515.db2.gz LKXCCXRNSOCVAF-IBGZPJMESA-N -1 3 327.380 2.794 20 10 EFCDHM CC(C)CNC(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148218881 1281457560 /nfs/dbraw/zinc/45/75/60/1281457560.db2.gz LTBLUMUSDGDTGP-UHFFFAOYSA-N -1 3 328.368 2.736 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001148218404 1281457718 /nfs/dbraw/zinc/45/77/18/1281457718.db2.gz BQIBCANDIIMNQW-TXEJJXNPSA-N -1 3 347.374 2.768 20 10 EFCDHM O=C(Nc1cc(-c2ccncn2)cs1)c1cc(O)c([O-])c(O)c1 ZINC001148582790 1281658214 /nfs/dbraw/zinc/65/82/14/1281658214.db2.gz MBJHDXLHVRPKJX-UHFFFAOYSA-N -1 3 329.337 2.574 20 10 EFCDHM Cc1ccc2[nH]cc(CN(C)C(=O)c3cc(O)c([O-])c(O)c3)c2c1 ZINC001148584305 1281659877 /nfs/dbraw/zinc/65/98/77/1281659877.db2.gz RQTPPNCAPRZJHD-UHFFFAOYSA-N -1 3 326.352 2.865 20 10 EFCDHM CC(F)(F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000808462138 1281723242 /nfs/dbraw/zinc/72/32/42/1281723242.db2.gz TYYLMOJOMBKPTP-LBPRGKRZSA-N -1 3 332.778 2.781 20 10 EFCDHM [O-]c1c(Br)cccc1CN1CCCN(CC(F)F)CC1 ZINC000809755819 1282458966 /nfs/dbraw/zinc/45/89/66/1282458966.db2.gz CMVWDQLVLSCERJ-UHFFFAOYSA-N -1 3 349.219 2.928 20 10 EFCDHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000747616485 1283422291 /nfs/dbraw/zinc/42/22/91/1283422291.db2.gz BLOFJSKKUJBVIA-UHFFFAOYSA-N -1 3 349.408 2.905 20 10 EFCDHM CCCN(CC(=O)N(C)C)Cc1cc(Br)cc(F)c1[O-] ZINC000715756480 1284324962 /nfs/dbraw/zinc/32/49/62/1284324962.db2.gz DGGDDKIUNJZJSB-UHFFFAOYSA-N -1 3 347.228 2.594 20 10 EFCDHM Cc1cc(CNCc2cc(Br)cc(F)c2[O-])n(C)n1 ZINC000715816508 1284369064 /nfs/dbraw/zinc/36/90/64/1284369064.db2.gz BDOXTDKWGYSHDD-UHFFFAOYSA-N -1 3 328.185 2.626 20 10 EFCDHM [O-]c1c(Br)cccc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000812776720 1285409893 /nfs/dbraw/zinc/40/98/93/1285409893.db2.gz YIZSCOQMUZJVLZ-JTQLQIEISA-N -1 3 336.176 2.604 20 10 EFCDHM N[C@]1(C(F)(F)F)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001206223115 1286959210 /nfs/dbraw/zinc/95/92/10/1286959210.db2.gz UAWOXDJKAWNMDV-LLVKDONJSA-N -1 3 339.155 2.620 20 10 EFCDHM Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3)c2)cc1N ZINC001174305291 1286971884 /nfs/dbraw/zinc/97/18/84/1286971884.db2.gz XMRXDOXPRGXCDL-UHFFFAOYSA-N -1 3 346.456 2.642 20 10 EFCDHM Cc1cnccc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001174539370 1287040289 /nfs/dbraw/zinc/04/02/89/1287040289.db2.gz JDBKLQZIUMLHRJ-UHFFFAOYSA-N -1 3 330.365 2.661 20 10 EFCDHM Cc1cc([O-])c([C@H]2NC(=O)[C@@H]3Cc4ccccc4CN32)cc1Cl ZINC000871601229 1287168355 /nfs/dbraw/zinc/16/83/55/1287168355.db2.gz HUFFWAAUXOYONB-RDJZCZTQSA-N -1 3 328.799 2.909 20 10 EFCDHM COC(=O)C[C@H]1CSCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514502 1288185665 /nfs/dbraw/zinc/18/56/65/1288185665.db2.gz ACFOCKZTBIMHBJ-JTQLQIEISA-N -1 3 333.812 2.665 20 10 EFCDHM NC(=O)[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccc(F)cc1 ZINC000816571094 1288212218 /nfs/dbraw/zinc/21/22/18/1288212218.db2.gz SBBQKJAEIRIFGJ-AWEZNQCLSA-N -1 3 326.730 2.640 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC2(CCOCC2)O1 ZINC000816594718 1288217796 /nfs/dbraw/zinc/21/77/96/1288217796.db2.gz NFSKREAPBVWYTB-LLVKDONJSA-N -1 3 329.799 2.955 20 10 EFCDHM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC2(CCOCC2)O1 ZINC000816594719 1288218151 /nfs/dbraw/zinc/21/81/51/1288218151.db2.gz NFSKREAPBVWYTB-NSHDSACASA-N -1 3 329.799 2.955 20 10 EFCDHM CCOC(=O)c1cc(COC)cc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000817013057 1288373175 /nfs/dbraw/zinc/37/31/75/1288373175.db2.gz URLMJBYWWOUYEC-UHFFFAOYSA-N -1 3 345.351 2.673 20 10 EFCDHM O=C(Cc1cncc(F)c1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177387985 1288416963 /nfs/dbraw/zinc/41/69/63/1288416963.db2.gz KNUUYAWAAUCYGS-UHFFFAOYSA-N -1 3 345.761 2.987 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](n3ccnn3)C2)c1[O-] ZINC000823469206 1289312126 /nfs/dbraw/zinc/31/21/26/1289312126.db2.gz RGSJGGVDEMGNEE-AWEZNQCLSA-N -1 3 334.807 2.677 20 10 EFCDHM CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(Br)cc1[O-] ZINC000825628822 1289390615 /nfs/dbraw/zinc/39/06/15/1289390615.db2.gz KEGXZYANZVYNGL-ZDUSSCGKSA-N -1 3 341.249 2.501 20 10 EFCDHM Cc1cc([O-])c(CN2CCc3ccccc3[C@H]2C(N)=O)cc1Cl ZINC000824639317 1289736252 /nfs/dbraw/zinc/73/62/52/1289736252.db2.gz JQAOZQKTZAPKSA-KRWDZBQOSA-N -1 3 330.815 2.939 20 10 EFCDHM O=C([O-])c1ccccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000874043789 1290181412 /nfs/dbraw/zinc/18/14/12/1290181412.db2.gz UUKPPHBSKUGNQK-UHFFFAOYSA-N -1 3 344.386 2.650 20 10 EFCDHM Cc1cc([O-])c(CN2CCC(C)(C)S(=O)(=O)CC2)cc1Cl ZINC000825716971 1290237675 /nfs/dbraw/zinc/23/76/75/1290237675.db2.gz ZVXQHHGNQIJWTC-UHFFFAOYSA-N -1 3 331.865 2.753 20 10 EFCDHM CCCC[C@H](CCC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092229057 1290667926 /nfs/dbraw/zinc/66/79/26/1290667926.db2.gz OLSMLZZGWNNZKO-LBPRGKRZSA-N -1 3 342.461 2.852 20 10 EFCDHM CCOC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092456190 1290755450 /nfs/dbraw/zinc/75/54/50/1290755450.db2.gz XUINMWYDGSYODL-SNVBAGLBSA-N -1 3 342.779 2.729 20 10 EFCDHM COc1c([O-])c(CNc2ccc(N3CCCC3)cn2)ccc1[N+](=O)[O-] ZINC000774976374 1290867697 /nfs/dbraw/zinc/86/76/97/1290867697.db2.gz MFNAYMWLDLOJAG-UHFFFAOYSA-N -1 3 344.371 2.916 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000825888064 1290951040 /nfs/dbraw/zinc/95/10/40/1290951040.db2.gz XKOYQCIUBUJPQZ-ZFWWWQNUSA-N -1 3 342.233 2.535 20 10 EFCDHM COc1c([O-])c(CNCc2cn3c(cccc3C)n2)ccc1[N+](=O)[O-] ZINC000775027171 1290971346 /nfs/dbraw/zinc/97/13/46/1290971346.db2.gz ILMUBIOBQZFLQE-UHFFFAOYSA-N -1 3 342.355 2.555 20 10 EFCDHM C[C@@H]1C[C@@H](F)CN1Cc1ccc(I)cc1[O-] ZINC001232975077 1312824226 /nfs/dbraw/zinc/82/42/26/1312824226.db2.gz WGDPMRRFLSIHNX-PSASIEDQSA-N -1 3 335.160 2.929 20 10 EFCDHM CC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@@H](C)S1(=O)=O ZINC000825900313 1291008872 /nfs/dbraw/zinc/00/88/72/1291008872.db2.gz KWKMUAZPJGRVQM-YPMHNXCESA-N -1 3 331.865 2.752 20 10 EFCDHM COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000775063624 1291041515 /nfs/dbraw/zinc/04/15/15/1291041515.db2.gz WGMHJVLCFSPTNZ-UHFFFAOYSA-N -1 3 348.355 2.963 20 10 EFCDHM C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)CCC[C@@H]1O ZINC001233029013 1312835949 /nfs/dbraw/zinc/83/59/49/1312835949.db2.gz YEYKCIPBOXNPPW-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1c([O-])cc(Br)cc1F ZINC001233028683 1312836028 /nfs/dbraw/zinc/83/60/28/1312836028.db2.gz SREMKERLGQMIQM-VHSXEESVSA-N -1 3 331.229 2.818 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CCC[C@H](CO)CC1 ZINC001233028481 1312836415 /nfs/dbraw/zinc/83/64/15/1312836415.db2.gz OSJBFWIRKBNXEA-JTQLQIEISA-N -1 3 332.213 2.888 20 10 EFCDHM CCc1nsc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000093643020 1291183658 /nfs/dbraw/zinc/18/36/58/1291183658.db2.gz FKVJJEVTHRAVIH-UHFFFAOYSA-N -1 3 338.864 2.782 20 10 EFCDHM C[C@H]1CN=C(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)S1 ZINC000093663023 1291189473 /nfs/dbraw/zinc/18/94/73/1291189473.db2.gz CZRJFADKLJONPR-NSHDSACASA-N -1 3 325.865 2.655 20 10 EFCDHM Cc1ccnc(O[C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079468 1312850981 /nfs/dbraw/zinc/85/09/81/1312850981.db2.gz DSSRVFHPFCVJOC-CYBMUJFWSA-N -1 3 335.354 2.812 20 10 EFCDHM Cc1cnc(O[C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233080570 1312851822 /nfs/dbraw/zinc/85/18/22/1312851822.db2.gz WVILVKJXFNWQPN-ZDUSSCGKSA-N -1 3 335.354 2.812 20 10 EFCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC001233135694 1312863738 /nfs/dbraw/zinc/86/37/38/1312863738.db2.gz YIIPQQXPZLRCBX-PHIMTYICSA-N -1 3 328.206 2.527 20 10 EFCDHM Cc1cc([O-])c(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000826074672 1291787373 /nfs/dbraw/zinc/78/73/73/1291787373.db2.gz FUTPRGDQDKCCFU-INIZCTEOSA-N -1 3 343.876 2.755 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC001233332166 1312904501 /nfs/dbraw/zinc/90/45/01/1312904501.db2.gz BBNCDEDGRRKYBP-CYBMUJFWSA-N -1 3 325.277 2.950 20 10 EFCDHM CC(C)Oc1ncnc2c1CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233332896 1312904720 /nfs/dbraw/zinc/90/47/20/1312904720.db2.gz BINRXJLKTPJSES-UHFFFAOYSA-N -1 3 349.381 2.848 20 10 EFCDHM CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333077 1312904904 /nfs/dbraw/zinc/90/49/04/1312904904.db2.gz IXRJLPUWCQVOTG-YVEFUNNKSA-N -1 3 327.371 2.830 20 10 EFCDHM O=C1CC[C@H]2[C@H](CCN2Cc2c([O-])ccc(F)c2F)N1CC1CC1 ZINC001233332874 1312905536 /nfs/dbraw/zinc/90/55/36/1312905536.db2.gz ARCGKHHODKGQMN-GJZGRUSLSA-N -1 3 336.382 2.646 20 10 EFCDHM COc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1[O-] ZINC000775408602 1292296950 /nfs/dbraw/zinc/29/69/50/1292296950.db2.gz AEJNYBMCBWMYAS-LBPRGKRZSA-N -1 3 344.411 2.966 20 10 EFCDHM [O-]c1c(CN2CCN(c3cncnc3)CC2)cccc1C(F)(F)F ZINC001233418981 1312928433 /nfs/dbraw/zinc/92/84/33/1312928433.db2.gz DXNSPOXDLZCRLN-UHFFFAOYSA-N -1 3 338.333 2.523 20 10 EFCDHM [O-]c1c(CN2CC[C@H](Oc3ncccn3)C2)cccc1C(F)(F)F ZINC001233419764 1312928869 /nfs/dbraw/zinc/92/88/69/1312928869.db2.gz LRCZPFDCFWJWPP-LBPRGKRZSA-N -1 3 339.317 2.854 20 10 EFCDHM CCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233455046 1312934980 /nfs/dbraw/zinc/93/49/80/1312934980.db2.gz UCKGOOHBMBAORJ-UHFFFAOYSA-N -1 3 326.322 2.581 20 10 EFCDHM C[C@@H]1CN(C2CN(Cc3ccc(C(F)(F)F)cc3[O-])C2)C[C@@H](C)O1 ZINC001233455721 1312936292 /nfs/dbraw/zinc/93/62/92/1312936292.db2.gz WBVPGGHAHLCDIY-VXGBXAGGSA-N -1 3 344.377 2.704 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(N2CCOCC2)CC1 ZINC001203571465 1312960128 /nfs/dbraw/zinc/96/01/28/1312960128.db2.gz MDEJGSWUBNCZJR-UHFFFAOYSA-N -1 3 345.270 2.996 20 10 EFCDHM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Br)ccc1[O-] ZINC001203648611 1312980489 /nfs/dbraw/zinc/98/04/89/1312980489.db2.gz NZQRXYRBUABBGM-LQJRIPTKSA-N -1 3 340.217 2.681 20 10 EFCDHM CCOCc1nnn2c1CN(Cc1cc(Cl)ccc1[O-])CCC2 ZINC001203658290 1312982645 /nfs/dbraw/zinc/98/26/45/1312982645.db2.gz IZSWUFXPXOMHQB-UHFFFAOYSA-N -1 3 336.823 2.580 20 10 EFCDHM COCCN1CCN(Cc2cc(Cl)ccc2[O-])Cc2cccnc21 ZINC001203659749 1312983297 /nfs/dbraw/zinc/98/32/97/1312983297.db2.gz ZWJWNPPVCYSFTC-UHFFFAOYSA-N -1 3 347.846 2.909 20 10 EFCDHM C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1c([O-])cccc1F ZINC000886543809 1295009818 /nfs/dbraw/zinc/00/98/18/1295009818.db2.gz VQDUCTHAYJKOGB-XJKSGUPXSA-N -1 3 328.387 2.983 20 10 EFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(OC[C@@H]3CCCO3)c12 ZINC001234750132 1313189035 /nfs/dbraw/zinc/18/90/35/1313189035.db2.gz YZCQMOVBIYZFMR-JTQLQIEISA-N -1 3 344.319 2.621 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])CC[C@H]1O ZINC001235056832 1313232796 /nfs/dbraw/zinc/23/27/96/1313232796.db2.gz JDTPACIKZIITSC-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM CCN1C[C@@H]2C[C@H]1CN2Cc1cc(Br)cc(F)c1[O-] ZINC001235075769 1313237708 /nfs/dbraw/zinc/23/77/08/1313237708.db2.gz PGWOBXANZVCIRE-RYUDHWBXSA-N -1 3 329.213 2.572 20 10 EFCDHM COC(=O)[C@@]1(C)CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235306434 1313287051 /nfs/dbraw/zinc/28/70/51/1313287051.db2.gz DZXNPASOFPMVCA-AWEZNQCLSA-N -1 3 346.196 2.679 20 10 EFCDHM CCN1C[C@@H]2C[C@H]1CN2Cc1cc(F)cc(Br)c1[O-] ZINC001235307005 1313287188 /nfs/dbraw/zinc/28/71/88/1313287188.db2.gz JVEWIDRLDUPEPL-RYUDHWBXSA-N -1 3 329.213 2.572 20 10 EFCDHM N[C@@]1(C(F)(F)F)CCN(Cc2c([O-])cccc2Br)C1 ZINC001206230099 1313423450 /nfs/dbraw/zinc/42/34/50/1313423450.db2.gz YLZKUBYFKAFGCR-NSHDSACASA-N -1 3 339.155 2.620 20 10 EFCDHM CC(C)OC[C@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000825537120 1298034266 /nfs/dbraw/zinc/03/42/66/1298034266.db2.gz RNJHDYXYTRVWGD-CQSZACIVSA-N -1 3 344.249 2.781 20 10 EFCDHM COc1ccc(N2CCC(NC(=O)c3ccc(O)cc3[O-])CC2)cc1 ZINC000108166703 1298469813 /nfs/dbraw/zinc/46/98/13/1298469813.db2.gz YQQQBKPNRKKHJG-UHFFFAOYSA-N -1 3 342.395 2.505 20 10 EFCDHM COc1ccc(N2CCN(Cc3ccc(F)c([O-])c3)CC2)c(OC)c1 ZINC001236706966 1313515057 /nfs/dbraw/zinc/51/50/57/1313515057.db2.gz BJQSAZLNJSEZTN-UHFFFAOYSA-N -1 3 346.402 2.871 20 10 EFCDHM CN(C1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1)[C@H]1CCOC1 ZINC001236795194 1313529973 /nfs/dbraw/zinc/52/99/73/1313529973.db2.gz AJWRVZFWNRYQJV-NSHDSACASA-N -1 3 331.243 2.604 20 10 EFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC001236793680 1313530617 /nfs/dbraw/zinc/53/06/17/1313530617.db2.gz NHOZYUFKZFCZSS-LBPRGKRZSA-N -1 3 331.243 2.606 20 10 EFCDHM CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]21 ZINC001236794641 1313530671 /nfs/dbraw/zinc/53/06/71/1313530671.db2.gz YNDOSFMLNOHVHA-HBYGRHMLSA-N -1 3 343.254 2.901 20 10 EFCDHM COCCCN1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236795308 1313530714 /nfs/dbraw/zinc/53/07/14/1313530714.db2.gz CYLNXFLFMCQEFP-UHFFFAOYSA-N -1 3 333.259 2.853 20 10 EFCDHM COc1cc([O-])c(CN2CCN(c3cccnc3)CC2)c(Cl)c1 ZINC001236800172 1313531253 /nfs/dbraw/zinc/53/12/53/1313531253.db2.gz WYANUQOHVLUFAT-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2ccno2)c(Br)c1 ZINC001237064095 1313580152 /nfs/dbraw/zinc/58/01/52/1313580152.db2.gz BWZXMODLIFRRNH-UHFFFAOYSA-N -1 3 327.178 2.783 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@@]23CCOC3)c(Br)c1 ZINC001237068226 1313580838 /nfs/dbraw/zinc/58/08/38/1313580838.db2.gz NTWFEJYPCYZKGD-AWEZNQCLSA-N -1 3 328.206 2.528 20 10 EFCDHM COc1cc([O-])c(CN2CC3(CSC3)C2)c(Br)c1 ZINC001237068851 1313580987 /nfs/dbraw/zinc/58/09/87/1313580987.db2.gz UDFSKUVGMFOBNB-UHFFFAOYSA-N -1 3 330.247 2.712 20 10 EFCDHM COc1cc([O-])c(CN(C2CC2)C2COC2)c(Br)c1 ZINC001237072403 1313581631 /nfs/dbraw/zinc/58/16/31/1313581631.db2.gz FYNHTGJOUYQNGQ-UHFFFAOYSA-N -1 3 328.206 2.527 20 10 EFCDHM COc1cc([O-])c(CN2CCOCC23CCC3)c(Br)c1 ZINC001237072486 1313581924 /nfs/dbraw/zinc/58/19/24/1313581924.db2.gz HSENFYFMESCCIJ-UHFFFAOYSA-N -1 3 342.233 2.918 20 10 EFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC2(C[C@H](O)CO2)CC1 ZINC001237078068 1313583416 /nfs/dbraw/zinc/58/34/16/1313583416.db2.gz NDVYYNSERHKYJT-JTQLQIEISA-N -1 3 332.227 2.815 20 10 EFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@H](N2CCOCC2)C1 ZINC001237081615 1313583873 /nfs/dbraw/zinc/58/38/73/1313583873.db2.gz MVFOLHXEZVQMQS-LLVKDONJSA-N -1 3 331.243 2.606 20 10 EFCDHM O=C1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]2CCCN12 ZINC001237087357 1313584041 /nfs/dbraw/zinc/58/40/41/1313584041.db2.gz WHPNKJWSZSVDTI-JTQLQIEISA-N -1 3 329.227 2.896 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H](C)O[C@H](C)C2)c(Br)c1 ZINC001237062111 1313579362 /nfs/dbraw/zinc/57/93/62/1313579362.db2.gz KDQDSLKMWKXQRH-NXEZZACHSA-N -1 3 330.222 2.773 20 10 EFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000007908383 1299358608 /nfs/dbraw/zinc/35/86/08/1299358608.db2.gz XXEWJCUEUSALCF-UHFFFAOYSA-N -1 3 326.368 2.509 20 10 EFCDHM CCOC(=O)/C=C/c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776616195 1299787968 /nfs/dbraw/zinc/78/79/68/1299787968.db2.gz PEAPPHJKNUAWTG-DHZHZOJOSA-N -1 3 327.336 2.926 20 10 EFCDHM COc1cc(F)c([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000776654560 1300094814 /nfs/dbraw/zinc/09/48/14/1300094814.db2.gz PMJJMWQGNBNLKJ-SECBINFHSA-N -1 3 335.331 2.745 20 10 EFCDHM Cc1cc([O-])c(CN2CCC[C@H](F)C(=O)C2)cc1Br ZINC001237676107 1313689458 /nfs/dbraw/zinc/68/94/58/1313689458.db2.gz FKIQTKWDXOPEAK-LBPRGKRZSA-N -1 3 330.197 2.966 20 10 EFCDHM COC(=O)[C@]1(F)CCN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237677869 1313689769 /nfs/dbraw/zinc/68/97/69/1313689769.db2.gz QVXXCGQHXHZOPD-AWEZNQCLSA-N -1 3 346.196 2.550 20 10 EFCDHM Cc1cc([O-])c(CN2CC[C@H](O)C(F)(F)C2)cc1Br ZINC001237680342 1313690019 /nfs/dbraw/zinc/69/00/19/1313690019.db2.gz BPFDGAIOZRMOFP-LBPRGKRZSA-N -1 3 336.176 2.665 20 10 EFCDHM CN(C)C1=NOC2(C1)CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237801004 1313708238 /nfs/dbraw/zinc/70/82/38/1313708238.db2.gz QKIWICBOGZUIPQ-UHFFFAOYSA-N -1 3 341.814 2.815 20 10 EFCDHM CCO[C@@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237784703 1313705808 /nfs/dbraw/zinc/70/58/08/1313705808.db2.gz XGGLJKUZVWBGCG-LLVKDONJSA-N -1 3 347.196 2.608 20 10 EFCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237798730 1313708624 /nfs/dbraw/zinc/70/86/24/1313708624.db2.gz AOAFBMKELHDZQX-QGZVFWFLSA-N -1 3 348.809 2.830 20 10 EFCDHM CN1CC2(CC1=O)CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237803040 1313709491 /nfs/dbraw/zinc/70/94/91/1313709491.db2.gz QCESUFCGMKQFEP-UHFFFAOYSA-N -1 3 326.799 2.629 20 10 EFCDHM [O-]c1c(Br)cccc1CN1CCS[C@H]2COCC[C@H]21 ZINC000245695385 1300730188 /nfs/dbraw/zinc/73/01/88/1300730188.db2.gz BCTKCLVYYPWDLB-OLZOCXBDSA-N -1 3 344.274 2.861 20 10 EFCDHM O=C(N[C@@H](c1cccs1)C1(CO)CCC1)c1cccc(O)c1[O-] ZINC000855118460 1300795929 /nfs/dbraw/zinc/79/59/29/1300795929.db2.gz SQIPNKURJMLXGG-HNNXBMFYSA-N -1 3 333.409 2.793 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCOC2(CCOCC2)C1 ZINC000862251352 1302322189 /nfs/dbraw/zinc/32/21/89/1302322189.db2.gz BFYWMIUBMZAZDQ-UHFFFAOYSA-N -1 3 342.233 2.536 20 10 EFCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)cc1Cl ZINC001260972582 1316379110 /nfs/dbraw/zinc/37/91/10/1316379110.db2.gz SZDFKLUNRFYTKK-UHFFFAOYSA-N -1 3 331.752 2.994 20 10 EFCDHM CC[C@H](C)S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001260746873 1316364516 /nfs/dbraw/zinc/36/45/16/1316364516.db2.gz WPJLAIHEPKLMJX-VIFPVBQESA-N -1 3 328.821 2.812 20 10 EFCDHM O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1cccc(O)c1[O-] ZINC000800681128 1308236174 /nfs/dbraw/zinc/23/61/74/1308236174.db2.gz IHBPNTGPOAPNQM-GOSISDBHSA-N -1 3 347.798 2.883 20 10 EFCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCNC[C@@H](F)C1 ZINC001210609228 1314359309 /nfs/dbraw/zinc/35/93/09/1314359309.db2.gz FWIZGEAEAOCOGV-SNVBAGLBSA-N -1 3 337.620 2.551 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c1[O-] ZINC000750837377 1311096548 /nfs/dbraw/zinc/09/65/48/1311096548.db2.gz JYTIVZMJRJJFJI-SDBXPKJASA-N -1 3 335.297 2.886 20 10 EFCDHM CCOC(=O)[C@H](NCc1c([O-])cccc1Br)C1CC1 ZINC001330098041 1311200039 /nfs/dbraw/zinc/20/00/39/1311200039.db2.gz IJVGEIPORPAHPP-CYBMUJFWSA-N -1 3 328.206 2.586 20 10 EFCDHM CO[C@H](C)CCOc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226379540 1311658760 /nfs/dbraw/zinc/65/87/60/1311658760.db2.gz DOWXTGTVSUIPSN-LLVKDONJSA-N -1 3 326.348 2.971 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC1CC2(COC2)C1 ZINC001227937162 1311876084 /nfs/dbraw/zinc/87/60/84/1311876084.db2.gz DDGIAXODCQILIG-UHFFFAOYSA-N -1 3 326.348 2.887 20 10 EFCDHM COC[C@@H]1COCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000902561850 1311878349 /nfs/dbraw/zinc/87/83/49/1311878349.db2.gz CPJCEPKNXUPPES-CYBMUJFWSA-N -1 3 331.412 2.864 20 10 EFCDHM Cc1cc(O[C@@H]2COC[C@H]2F)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229540326 1312111323 /nfs/dbraw/zinc/11/13/23/1312111323.db2.gz CGWVQJZGCBNPOH-IUODEOHRSA-N -1 3 342.322 2.592 20 10 EFCDHM NC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001277446875 1312194733 /nfs/dbraw/zinc/19/47/33/1312194733.db2.gz ZVHNFOWZEPXLBY-NSHDSACASA-N -1 3 329.227 2.786 20 10 EFCDHM CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452718 1312500113 /nfs/dbraw/zinc/50/01/13/1312500113.db2.gz SPCCHSYONAATCH-UHFFFAOYSA-N -1 3 335.400 2.644 20 10 EFCDHM Cc1cccc(N2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231455614 1312500913 /nfs/dbraw/zinc/50/09/13/1312500913.db2.gz RUSXMAXXSHFAAY-UHFFFAOYSA-N -1 3 341.411 2.506 20 10 EFCDHM Cc1cccc(N2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231455614 1312500915 /nfs/dbraw/zinc/50/09/15/1312500915.db2.gz RUSXMAXXSHFAAY-UHFFFAOYSA-N -1 3 341.411 2.506 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2CCC(Cc3ccncc3)CC2)c([O-])c1 ZINC001231453438 1312501631 /nfs/dbraw/zinc/50/16/31/1312501631.db2.gz GVOHBMUJQQRRHT-UHFFFAOYSA-N -1 3 326.396 2.940 20 10 EFCDHM Cc1cc(Br)c([O-])c(CN2CCC(F)(F)[C@H](N)C2)c1 ZINC001206685178 1312559733 /nfs/dbraw/zinc/55/97/33/1312559733.db2.gz XRBUPJNMEYQACZ-LLVKDONJSA-N -1 3 335.192 2.631 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccncc3)CC2)cc1Cl ZINC001231870032 1312578370 /nfs/dbraw/zinc/57/83/70/1312578370.db2.gz GPQJDVVLESICNY-UHFFFAOYSA-N -1 3 345.830 2.707 20 10 EFCDHM Cc1cc([O-])c(CN2CCn3nc(C(F)(F)F)nc3C2)cc1Cl ZINC001231869788 1312578380 /nfs/dbraw/zinc/57/83/80/1312578380.db2.gz YUTGWONQODJGMT-UHFFFAOYSA-N -1 3 346.740 2.980 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(c3ccccn3)C(=O)C2)cc1Cl ZINC001231872046 1312578430 /nfs/dbraw/zinc/57/84/30/1312578430.db2.gz VLHNCPIOXCOJIR-UHFFFAOYSA-N -1 3 331.803 2.598 20 10 EFCDHM Cc1cc([O-])c(CN2CC[C@@H](N3CCOCC3)[C@@H](F)C2)cc1Cl ZINC001231871207 1312578561 /nfs/dbraw/zinc/57/85/61/1312578561.db2.gz FSNWDXPAWXRYKL-JKSUJKDBSA-N -1 3 342.842 2.599 20 10 EFCDHM COC(=O)CC[C@H]1COCCN1Cc1ccc2ccccc2c1[O-] ZINC001231881665 1312580144 /nfs/dbraw/zinc/58/01/44/1312580144.db2.gz ADVSCQKDZVJKHV-INIZCTEOSA-N -1 3 329.396 2.699 20 10 EFCDHM [O-]c1c(Cl)cccc1CN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001231909214 1312586664 /nfs/dbraw/zinc/58/66/64/1312586664.db2.gz CAEMLPQZSQKAGC-KRWDZBQOSA-N -1 3 346.858 2.724 20 10 EFCDHM CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913048 1312587028 /nfs/dbraw/zinc/58/70/28/1312587028.db2.gz DGKVZKGTWAZQOO-CQSZACIVSA-N -1 3 340.851 2.505 20 10 EFCDHM O=C(c1ccco1)N1CC[C@H]2CN(Cc3cccc(Cl)c3[O-])C[C@H]21 ZINC001231911305 1312587168 /nfs/dbraw/zinc/58/71/68/1312587168.db2.gz JEQKWPZXCLCLSO-SWLSCSKDSA-N -1 3 346.814 2.985 20 10 EFCDHM COc1cc([O-])c(CN2CCN(Cc3ccncc3)CC2)cc1Cl ZINC001232263772 1312660757 /nfs/dbraw/zinc/66/07/57/1312660757.db2.gz AMPMXASATJLSTF-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM COc1cc([O-])c(CN2CCN(C(=O)CC(C)C)CC2)cc1Cl ZINC001232269750 1312663111 /nfs/dbraw/zinc/66/31/11/1312663111.db2.gz JQAWCIVYQYPSCS-UHFFFAOYSA-N -1 3 340.851 2.745 20 10 EFCDHM CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232271239 1312663583 /nfs/dbraw/zinc/66/35/83/1312663583.db2.gz SLRKLXSRNDEHRS-GFCCVEGCSA-N -1 3 326.824 2.545 20 10 EFCDHM COCCCNC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001245621083 1314513733 /nfs/dbraw/zinc/51/37/33/1314513733.db2.gz WPTXQFPVOSFHEV-UHFFFAOYSA-N -1 3 339.848 2.594 20 10 EFCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(C(F)(F)F)ccn2)no1 ZINC001215327455 1314816472 /nfs/dbraw/zinc/81/64/72/1314816472.db2.gz BLZVIBGKFXGYJT-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM O=C1CCc2c1c(-c1noc(-c3ccc(O)c(O)c3[O-])n1)ccc2F ZINC001215327791 1314816600 /nfs/dbraw/zinc/81/66/00/1314816600.db2.gz TVYBERSMZONRKD-UHFFFAOYSA-N -1 3 342.282 2.788 20 10 EFCDHM O=C1CCc2c1c(-c1noc(-c3ccc(O)c([O-])c3O)n1)ccc2F ZINC001215327791 1314816605 /nfs/dbraw/zinc/81/66/05/1314816605.db2.gz TVYBERSMZONRKD-UHFFFAOYSA-N -1 3 342.282 2.788 20 10 EFCDHM CCOc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)ccc1OC ZINC001215327917 1314816705 /nfs/dbraw/zinc/81/67/05/1314816705.db2.gz ZZKOKEGIIJQWCY-UHFFFAOYSA-N -1 3 344.323 2.928 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)cc1O ZINC001215328491 1314817131 /nfs/dbraw/zinc/81/71/31/1314817131.db2.gz HXMFSBAIUWUQCK-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3cnc4c(c3)CCCC4)no2)cc1O ZINC001215328769 1314817363 /nfs/dbraw/zinc/81/73/63/1314817363.db2.gz RDFOEHRXQSTETK-UHFFFAOYSA-N -1 3 325.324 2.794 20 10 EFCDHM COc1ccc(CN2CCC[C@H]2C)c([O-])c1I ZINC001248476537 1314938078 /nfs/dbraw/zinc/93/80/78/1314938078.db2.gz JPWURVYWAKEZEV-SECBINFHSA-N -1 3 347.196 2.990 20 10 EFCDHM CNC(=O)N1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1 ZINC001248884916 1314992087 /nfs/dbraw/zinc/99/20/87/1314992087.db2.gz GCDPFXUERJAQQG-UHFFFAOYSA-N -1 3 339.867 2.800 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2C[C@@H]3COC[C@H](C2)C3=O)cc1Cl ZINC001248885251 1314992326 /nfs/dbraw/zinc/99/23/26/1314992326.db2.gz PGNGAQHEPANWGT-BETUJISGSA-N -1 3 337.847 2.990 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCNCC1(F)F ZINC001218006537 1315132382 /nfs/dbraw/zinc/13/23/82/1315132382.db2.gz MEUYLDPVPLKTBL-CQSZACIVSA-N -1 3 349.333 2.705 20 10 EFCDHM COC(=O)[C@@H]1CCCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250120383 1315174592 /nfs/dbraw/zinc/17/45/92/1315174592.db2.gz CDLYTBZRUUVWSM-ZDUSSCGKSA-N -1 3 342.233 2.991 20 10 EFCDHM Cc1cc(OC[C@H]2C[C@H](O)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218428687 1315194954 /nfs/dbraw/zinc/19/49/54/1315194954.db2.gz XXTHVYUOGXKNIM-HAQNSBGRSA-N -1 3 338.359 2.626 20 10 EFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O ZINC001251491841 1315351201 /nfs/dbraw/zinc/35/12/01/1315351201.db2.gz CGLISYNWCWBRLX-UHFFFAOYSA-N -1 3 349.408 2.905 20 10 EFCDHM CN(C)c1ccc(CN2CCOc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000903925519 1324856844 /nfs/dbraw/zinc/85/68/44/1324856844.db2.gz AQKNVPIKHKAQKX-SFHVURJKSA-N -1 3 326.396 2.773 20 10 EFCDHM CCc1nnc([C@@H](C)NCc2c([O-])cccc2Br)[nH]1 ZINC001331269591 1330813027 /nfs/dbraw/zinc/81/30/27/1330813027.db2.gz BPUHMNHXIMAYBW-MRVPVSSYSA-N -1 3 325.210 2.686 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)c([O-])c1O ZINC001343989698 1332395797 /nfs/dbraw/zinc/39/57/97/1332395797.db2.gz NXHKQDVWFUOOAH-UHFFFAOYSA-N -1 3 338.363 2.819 20 10 EFCDHM CCOc1ccc(N2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC001344098122 1332402917 /nfs/dbraw/zinc/40/29/17/1332402917.db2.gz IULCOMZCNLIWQH-HNNXBMFYSA-N -1 3 342.443 2.773 20 10 EFCDHM CCN(CC)c1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000847358377 1333594396 /nfs/dbraw/zinc/59/43/96/1333594396.db2.gz WFVXTUMCZUOATD-UHFFFAOYSA-N -1 3 340.427 2.836 20 10 EFCDHM CC[C@H]([NH2+]CCOc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[O-] ZINC000825142888 1443337744 /nfs/dbraw/zinc/33/77/44/1443337744.db2.gz SYPKUYIAWCZQCP-INIZCTEOSA-N -1 3 339.399 2.692 20 10 EFCDHM CN(C)c1ccc([C@@H](CNC(=O)c2ccc([O-])c(F)c2)N(C)C)cc1 ZINC000891246703 714133649 /nfs/dbraw/zinc/13/36/49/714133649.db2.gz CDJXHPWLRCPXFZ-QGZVFWFLSA-N -1 3 345.418 2.630 20 10 EFCDHM CN(C)c1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000158088614 715285396 /nfs/dbraw/zinc/28/53/96/715285396.db2.gz OXJSILXAKAZQOH-UHFFFAOYSA-N -1 3 335.354 2.736 20 10 EFCDHM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179469610 717468380 /nfs/dbraw/zinc/46/83/80/717468380.db2.gz XGYMBQZOHIJGNO-UHFFFAOYSA-N -1 3 336.294 2.895 20 10 EFCDHM NC(=O)c1ccc(CN(Cc2cc(F)cc(F)c2[O-])C2CC2)cc1 ZINC000893945785 720177489 /nfs/dbraw/zinc/17/74/89/720177489.db2.gz GYYSFXCCMDUWAR-UHFFFAOYSA-N -1 3 332.350 2.934 20 10 EFCDHM CC(C)CCC[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055184715 720247315 /nfs/dbraw/zinc/24/73/15/720247315.db2.gz VADYWMPLEQMHQT-LBPRGKRZSA-N -1 3 342.461 2.708 20 10 EFCDHM COC(=O)[C@]1(C)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894075408 720269102 /nfs/dbraw/zinc/26/91/02/720269102.db2.gz CIEQQSFEACDBKY-CQSZACIVSA-N -1 3 346.196 2.679 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)CC[C@@H]3C)c2c1 ZINC000191327497 720734126 /nfs/dbraw/zinc/73/41/26/720734126.db2.gz WLDJFGMMAHVKSZ-ZDUSSCGKSA-N -1 3 349.452 2.563 20 10 EFCDHM C[S@@](=O)C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000894424120 722732776 /nfs/dbraw/zinc/73/27/76/722732776.db2.gz BJWQWIPYKDLZTB-IVZQSRNASA-N -1 3 325.380 2.880 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000894442460 722735746 /nfs/dbraw/zinc/73/57/46/722735746.db2.gz RZPUDRIVOBJKPB-LBPRGKRZSA-N -1 3 327.371 2.688 20 10 EFCDHM COC(=O)C[C@@](C)(NCc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC000894491930 722756919 /nfs/dbraw/zinc/75/69/19/722756919.db2.gz VUKPYBWSOKEQHJ-QGZVFWFLSA-N -1 3 336.338 2.634 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCCN(c2ncccc2F)CC1 ZINC000894531881 722773770 /nfs/dbraw/zinc/77/37/70/722773770.db2.gz ADGZGEQPANSOCL-UHFFFAOYSA-N -1 3 337.345 2.917 20 10 EFCDHM Cc1cc([O-])c(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1Cl ZINC000895200362 723868953 /nfs/dbraw/zinc/86/89/53/723868953.db2.gz RDTPDVKYKKJMTA-ZDUSSCGKSA-N -1 3 344.864 2.573 20 10 EFCDHM C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1CO ZINC000895376260 724087359 /nfs/dbraw/zinc/08/73/59/724087359.db2.gz HRJDCKHMKLWCLP-GXSJLCMTSA-N -1 3 332.213 2.744 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000912098996 727659955 /nfs/dbraw/zinc/65/99/55/727659955.db2.gz KAMHCVKDKFLXLL-NVXWUHKLSA-N -1 3 327.380 2.826 20 10 EFCDHM CCn1cnnc1-c1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182056480 727925627 /nfs/dbraw/zinc/92/56/27/727925627.db2.gz LUHDMQYGCHXUSC-UHFFFAOYSA-N -1 3 338.367 2.937 20 10 EFCDHM CCOC(=O)[C@@H](C)N(CC)Cc1cc(Br)ccc1[O-] ZINC000076118506 727994037 /nfs/dbraw/zinc/99/40/37/727994037.db2.gz ULFLNRLURGHBIA-SNVBAGLBSA-N -1 3 330.222 2.928 20 10 EFCDHM C=CC(=O)Nc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1F ZINC000182573748 728250928 /nfs/dbraw/zinc/25/09/28/728250928.db2.gz JEQSEZMMPUGGJI-UHFFFAOYSA-N -1 3 330.315 2.922 20 10 EFCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2nnc3ccccn32)c1[O-] ZINC000182702146 728328632 /nfs/dbraw/zinc/32/86/32/728328632.db2.gz IFPYVEMCFBSWME-SNVBAGLBSA-N -1 3 328.347 2.627 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826510976 948432714 /nfs/dbraw/zinc/43/27/14/948432714.db2.gz VZAMKCAIIGJEJK-UHFFFAOYSA-N -1 3 333.754 2.655 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826510976 948432717 /nfs/dbraw/zinc/43/27/17/948432717.db2.gz VZAMKCAIIGJEJK-UHFFFAOYSA-N -1 3 333.754 2.655 20 10 EFCDHM COc1cc(Cl)cc(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1[O-] ZINC000904430958 956959065 /nfs/dbraw/zinc/95/90/65/956959065.db2.gz VALDEBORZRPEAY-QWHCGFSZSA-N -1 3 325.792 2.597 20 10 EFCDHM COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1[O-] ZINC000904430958 956959078 /nfs/dbraw/zinc/95/90/78/956959078.db2.gz VALDEBORZRPEAY-QWHCGFSZSA-N -1 3 325.792 2.597 20 10 EFCDHM CN(C)c1ccc(/C=C\CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900073679 980245367 /nfs/dbraw/zinc/24/53/67/980245367.db2.gz KTGLGTLZCIIXPQ-IMMZDGJCSA-N -1 3 340.427 2.785 20 10 EFCDHM CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001589145553 985460087 /nfs/dbraw/zinc/46/00/87/985460087.db2.gz BCQODYNBFYDSJE-LBPRGKRZSA-N -1 3 342.395 2.577 20 10 EFCDHM Cc1[nH]c(C(=O)[C@H](C)N[C@@H](C)c2ccccc2O)c(C)c1C(=O)[O-] ZINC001599943232 985481524 /nfs/dbraw/zinc/48/15/24/985481524.db2.gz IQFVFHHSCARAQV-JQWIXIFHSA-N -1 3 330.384 2.957 20 10 EFCDHM CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])[C@@H]1SC ZINC001596979554 986221062 /nfs/dbraw/zinc/22/10/62/986221062.db2.gz BHBNBZPJFOWOCC-FFFUXKDYSA-N -1 3 325.430 2.650 20 10 EFCDHM COc1ccc(N(C)CCN(C)Cc2cc(C(=O)[O-])c(C)[nH]2)cc1 ZINC001599584515 993594615 /nfs/dbraw/zinc/59/46/15/993594615.db2.gz WDWGLSPLYXUYCJ-UHFFFAOYSA-N -1 3 331.416 2.598 20 10 EFCDHM COc1ccc(O)c([C@@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001599598219 993776923 /nfs/dbraw/zinc/77/69/23/993776923.db2.gz IJSQODRLYGFZDR-SNVBAGLBSA-N -1 3 346.339 2.858 20 10 EFCDHM C[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC001593198185 994168725 /nfs/dbraw/zinc/16/87/25/994168725.db2.gz OCOFJHVDFQLDGV-QWRGUYRKSA-N -1 3 343.383 2.993 20 10 EFCDHM C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234254 994398590 /nfs/dbraw/zinc/39/85/90/994398590.db2.gz WUJOYAVRHJKKMR-IINYFYTJSA-N -1 3 331.343 2.884 20 10 EFCDHM C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246550 994453933 /nfs/dbraw/zinc/45/39/33/994453933.db2.gz NBRCDUVLQPKXCM-CZUORRHYSA-N -1 3 329.396 2.735 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246549 994454022 /nfs/dbraw/zinc/45/40/22/994454022.db2.gz NBRCDUVLQPKXCM-CJNGLKHVSA-N -1 3 329.396 2.735 20 10 EFCDHM C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246548 994454435 /nfs/dbraw/zinc/45/44/35/994454435.db2.gz NBRCDUVLQPKXCM-BBRMVZONSA-N -1 3 329.396 2.735 20 10 EFCDHM C[C@H](NCc1ccoc1C(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593311933 994789908 /nfs/dbraw/zinc/78/99/08/994789908.db2.gz VWMZHSRGVMREET-ZDUSSCGKSA-N -1 3 330.384 2.665 20 10 EFCDHM COc1cc(C)cc(CN2CCc3cc(C(=O)[O-])ccc3C2)c1O ZINC001599392633 997066133 /nfs/dbraw/zinc/06/61/33/997066133.db2.gz PTYJWBQPBQMUKQ-UHFFFAOYSA-N -1 3 327.380 2.966 20 10 EFCDHM COCCOc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599258840 998351885 /nfs/dbraw/zinc/35/18/85/998351885.db2.gz UIDNIMFFQABBAM-CYBMUJFWSA-N -1 3 345.395 2.966 20 10 EFCDHM COCCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599258841 998352365 /nfs/dbraw/zinc/35/23/65/998352365.db2.gz UIDNIMFFQABBAM-ZDUSSCGKSA-N -1 3 345.395 2.966 20 10 EFCDHM CC(C)([NH2+]Cc1cc(F)c(F)cc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001589321763 1093075848 /nfs/dbraw/zinc/07/58/48/1093075848.db2.gz OMMIKFCDRKMNMO-UHFFFAOYSA-N -1 3 345.353 2.875 20 10 EFCDHM C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589902587 1093174521 /nfs/dbraw/zinc/17/45/21/1093174521.db2.gz PRFXCQKZCXSNEJ-WDEREUQCSA-N -1 3 329.429 2.916 20 10 EFCDHM C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589902584 1093174878 /nfs/dbraw/zinc/17/48/78/1093174878.db2.gz PRFXCQKZCXSNEJ-GHMZBOCLSA-N -1 3 329.429 2.916 20 10 EFCDHM C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957937 1093194941 /nfs/dbraw/zinc/19/49/41/1093194941.db2.gz JOXJYYAUTLFTKD-KZULUSFZSA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978183 1093203963 /nfs/dbraw/zinc/20/39/63/1093203963.db2.gz MBNSKJPBOWEAIL-ZDUSSCGKSA-N -1 3 345.447 2.556 20 10 EFCDHM CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@H]1CCCCO1 ZINC001590461442 1093432842 /nfs/dbraw/zinc/43/28/42/1093432842.db2.gz DURIBIHVXHTHTN-BYCMXARLSA-N -1 3 331.420 2.571 20 10 EFCDHM CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465106 1093434515 /nfs/dbraw/zinc/43/45/15/1093434515.db2.gz IEBOOYJZAINBLP-VBNZEHGJSA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@@H]([NH2+]CCCC1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466252 1093435679 /nfs/dbraw/zinc/43/56/79/1093435679.db2.gz KBFNYBPOXNMCDP-MRXNPFEDSA-N -1 3 345.447 2.820 20 10 EFCDHM CC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465588 1093436133 /nfs/dbraw/zinc/43/61/33/1093436133.db2.gz JLPLSLYVQBUCJP-IUODEOHRSA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@@H]([NH2+]CCCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466235 1093436304 /nfs/dbraw/zinc/43/63/04/1093436304.db2.gz JOGUSSRETLOVAQ-LLVKDONJSA-N -1 3 329.326 2.956 20 10 EFCDHM CC[C@H]([NH2+][C@H]1CC[C@H](SC)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465532 1093437179 /nfs/dbraw/zinc/43/71/79/1093437179.db2.gz IMQAYEPKXBLULP-MJVIPROJSA-N -1 3 333.461 2.897 20 10 EFCDHM CCCC(O)(CCC)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590558873 1093486053 /nfs/dbraw/zinc/48/60/53/1093486053.db2.gz IQAVMBLBSJKJMH-LBPRGKRZSA-N -1 3 333.436 2.554 20 10 EFCDHM CCN(CC)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2F)cc1 ZINC001590689072 1093549235 /nfs/dbraw/zinc/54/92/35/1093549235.db2.gz MIPFPYWKGQUWOK-UHFFFAOYSA-N -1 3 341.394 2.859 20 10 EFCDHM CCN(CC)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2F)cc1 ZINC001590689072 1093549241 /nfs/dbraw/zinc/54/92/41/1093549241.db2.gz MIPFPYWKGQUWOK-UHFFFAOYSA-N -1 3 341.394 2.859 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001590719174 1093554885 /nfs/dbraw/zinc/55/48/85/1093554885.db2.gz SNRIMEOYZKHKSL-UHFFFAOYSA-N -1 3 337.431 2.663 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001590719174 1093554894 /nfs/dbraw/zinc/55/48/94/1093554894.db2.gz SNRIMEOYZKHKSL-UHFFFAOYSA-N -1 3 337.431 2.663 20 10 EFCDHM CCc1nc(C)c(C[NH2+][C@@H](CC)c2cccc(-c3nn[n-]n3)c2[O-])o1 ZINC001590912031 1093630818 /nfs/dbraw/zinc/63/08/18/1093630818.db2.gz WCMANTHCIIABQA-ZDUSSCGKSA-N -1 3 342.403 2.672 20 10 EFCDHM CN(Cc1ccccc1O)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC001591147693 1093674413 /nfs/dbraw/zinc/67/44/13/1093674413.db2.gz SMLCLKICGHQSKZ-UHFFFAOYSA-N -1 3 332.367 2.757 20 10 EFCDHM CN(Cc1ccccc1O)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC001591147693 1093674414 /nfs/dbraw/zinc/67/44/14/1093674414.db2.gz SMLCLKICGHQSKZ-UHFFFAOYSA-N -1 3 332.367 2.757 20 10 EFCDHM COC(=O)c1cnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC001591305925 1093687416 /nfs/dbraw/zinc/68/74/16/1093687416.db2.gz TYKCSGUHLZDCQS-QMMMGPOBSA-N -1 3 347.425 2.963 20 10 EFCDHM COC(=O)c1cnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001591305925 1093687418 /nfs/dbraw/zinc/68/74/18/1093687418.db2.gz TYKCSGUHLZDCQS-QMMMGPOBSA-N -1 3 347.425 2.963 20 10 EFCDHM COC1(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCCCC1 ZINC001591342783 1093699365 /nfs/dbraw/zinc/69/93/65/1093699365.db2.gz QWCKQWRTJUIBNQ-GFCCVEGCSA-N -1 3 331.420 2.572 20 10 EFCDHM COc1ccc(N(C)Cc2csc(-c3nnn[n-]3)c2)cc1OC ZINC001591609017 1093794016 /nfs/dbraw/zinc/79/40/16/1093794016.db2.gz XSPAEGCPRVCZDS-UHFFFAOYSA-N -1 3 331.401 2.582 20 10 EFCDHM COc1ccc2c(c1)CCCCN2Cc1cc(-c2nnn[n-]2)ccn1 ZINC001591627472 1093806611 /nfs/dbraw/zinc/80/66/11/1093806611.db2.gz WNJYDRQEVMASAQ-UHFFFAOYSA-N -1 3 336.399 2.613 20 10 EFCDHM COc1ccc2c(c1)CCCCN2Cc1cc(-c2nn[n-]n2)ccn1 ZINC001591627472 1093806618 /nfs/dbraw/zinc/80/66/18/1093806618.db2.gz WNJYDRQEVMASAQ-UHFFFAOYSA-N -1 3 336.399 2.613 20 10 EFCDHM Cc1ccc(O)c(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC001592186413 1094023286 /nfs/dbraw/zinc/02/32/86/1094023286.db2.gz SUIXSTKCUVFNPG-UHFFFAOYSA-N -1 3 330.779 2.850 20 10 EFCDHM Cc1ccc(O)c(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC001592186413 1094023290 /nfs/dbraw/zinc/02/32/90/1094023290.db2.gz SUIXSTKCUVFNPG-UHFFFAOYSA-N -1 3 330.779 2.850 20 10 EFCDHM Cc1csc([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592313751 1094074436 /nfs/dbraw/zinc/07/44/36/1094074436.db2.gz VWQSNXVLAMIDCS-NXEZZACHSA-N -1 3 330.417 2.749 20 10 EFCDHM CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658407 1096581373 /nfs/dbraw/zinc/58/13/73/1096581373.db2.gz UPVYCOXNOADZAP-GDZNZVCISA-N -1 3 345.447 2.674 20 10 EFCDHM C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658024 1096581820 /nfs/dbraw/zinc/58/18/20/1096581820.db2.gz RLUAEEMBASNCAW-OQPBUACISA-N -1 3 342.230 2.807 20 10 EFCDHM CC[C@H]([NH2+]Cc1cnc(C)cc1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604061803 1096714956 /nfs/dbraw/zinc/71/49/56/1096714956.db2.gz NVWIXGYRTNIATH-INIZCTEOSA-N -1 3 338.415 2.825 20 10 EFCDHM CC[C@@H]([NH2+]CCc1nc(C)cs1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604062485 1096716275 /nfs/dbraw/zinc/71/62/75/1096716275.db2.gz SQLFKOAUGATLHK-CYBMUJFWSA-N -1 3 344.444 2.621 20 10 EFCDHM CCCCN(Cc1ccccc1O)c1ncc(-c2nnn[n-]2)cc1F ZINC001604182826 1096764663 /nfs/dbraw/zinc/76/46/63/1096764663.db2.gz VYHCXZAKEJUELD-UHFFFAOYSA-N -1 3 342.378 2.913 20 10 EFCDHM CCCCN(Cc1ccccc1O)c1ncc(-c2nn[n-]n2)cc1F ZINC001604182826 1096764668 /nfs/dbraw/zinc/76/46/68/1096764668.db2.gz VYHCXZAKEJUELD-UHFFFAOYSA-N -1 3 342.378 2.913 20 10 EFCDHM C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326874 1096810972 /nfs/dbraw/zinc/81/09/72/1096810972.db2.gz UKXILRGAKFQANR-BBRMVZONSA-N -1 3 329.396 2.735 20 10 EFCDHM C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604331563 1096815096 /nfs/dbraw/zinc/81/50/96/1096815096.db2.gz BZPPNTKQNNRUMM-FHSNZYRGSA-N -1 3 329.396 2.906 20 10 EFCDHM C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339179 1096819192 /nfs/dbraw/zinc/81/91/92/1096819192.db2.gz UGSZRWCPDVFYAF-RNCFNFMXSA-N -1 3 334.338 2.624 20 10 EFCDHM C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604344057 1096821897 /nfs/dbraw/zinc/82/18/97/1096821897.db2.gz YVZCZHUAVMHLCB-JTQLQIEISA-N -1 3 334.338 2.625 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC001605291262 1097083037 /nfs/dbraw/zinc/08/30/37/1097083037.db2.gz LAXVNSMKIBKHOY-UHFFFAOYSA-N -1 3 331.401 2.582 20 10 EFCDHM COc1ccc(O)c(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC001605302434 1097088796 /nfs/dbraw/zinc/08/87/96/1097088796.db2.gz ADMWCFQOYPKHPV-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc(O)c(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC001605302434 1097088803 /nfs/dbraw/zinc/08/88/03/1097088803.db2.gz ADMWCFQOYPKHPV-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM Cc1cc(F)c(-c2nnn[n-]2)c(N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001605673064 1097191031 /nfs/dbraw/zinc/19/10/31/1097191031.db2.gz XZVTYWBTNDDDEL-JTQLQIEISA-N -1 3 343.362 2.769 20 10 EFCDHM Cc1cc(F)c(-c2nn[n-]n2)c(N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001605673064 1097191035 /nfs/dbraw/zinc/19/10/35/1097191035.db2.gz XZVTYWBTNDDDEL-JTQLQIEISA-N -1 3 343.362 2.769 20 10 EFCDHM Cc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001605872626 1097261867 /nfs/dbraw/zinc/26/18/67/1097261867.db2.gz ZHIQZLLICXESNB-UHFFFAOYSA-N -1 3 339.428 2.797 20 10 EFCDHM Cc1cccnc1CCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605947279 1097284586 /nfs/dbraw/zinc/28/45/86/1097284586.db2.gz DROAHZCLXAMYDG-CYBMUJFWSA-N -1 3 338.415 2.559 20 10 EFCDHM CN(C)c1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1F ZINC001606055696 1097308051 /nfs/dbraw/zinc/30/80/51/1097308051.db2.gz MYDUXMSBQPTAAO-SFHVURJKSA-N -1 3 331.391 2.766 20 10 EFCDHM CN(Cc1cc(C(=O)[O-])cs1)Cc1ccc(N2CCOCC2)cc1 ZINC001606160563 1097332412 /nfs/dbraw/zinc/33/24/12/1097332412.db2.gz PINYGPRTVNDECG-UHFFFAOYSA-N -1 3 346.452 2.915 20 10 EFCDHM O=C(NCc1ccccc1O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606839852 1097462499 /nfs/dbraw/zinc/46/24/99/1097462499.db2.gz SLFHWANPKUKFLQ-UHFFFAOYSA-N -1 3 344.762 2.547 20 10 EFCDHM O=C(NCc1ccccc1O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606839852 1097462501 /nfs/dbraw/zinc/46/25/01/1097462501.db2.gz SLFHWANPKUKFLQ-UHFFFAOYSA-N -1 3 344.762 2.547 20 10 EFCDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cc(Cl)ccc1O ZINC001607079091 1097506180 /nfs/dbraw/zinc/50/61/80/1097506180.db2.gz HJJRVANRCAKPDA-UHFFFAOYSA-N -1 3 346.734 2.746 20 10 EFCDHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(O)c1 ZINC001609355912 1098264780 /nfs/dbraw/zinc/26/47/80/1098264780.db2.gz XYHMKZFGHYDMGG-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(O)c1 ZINC001609355912 1098264783 /nfs/dbraw/zinc/26/47/83/1098264783.db2.gz XYHMKZFGHYDMGG-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609772351 1098452742 /nfs/dbraw/zinc/45/27/42/1098452742.db2.gz CENKOOXOHPZZMH-LXIYXOSZSA-N -1 3 329.396 2.733 20 10 EFCDHM C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609786933 1098457906 /nfs/dbraw/zinc/45/79/06/1098457906.db2.gz RSLGFRRVCQKIBR-WDEREUQCSA-N -1 3 338.404 2.654 20 10 EFCDHM O=C([O-])[C@H]1[C@@H](CN(Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC001610731657 1098857147 /nfs/dbraw/zinc/85/71/47/1098857147.db2.gz PEJVOTNYWBDFLR-UKRRQHHQSA-N -1 3 337.322 2.953 20 10 EFCDHM CC(C)(C)N1CC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000897577334 1105780059 /nfs/dbraw/zinc/78/00/59/1105780059.db2.gz VVNAGCWMHGRHSA-GFCCVEGCSA-N -1 3 341.249 2.644 20 10 EFCDHM O=C(NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1)C1CCCC1 ZINC001142520419 1106106805 /nfs/dbraw/zinc/10/68/05/1106106805.db2.gz IZFACKOJIBXKLZ-UHFFFAOYSA-N -1 3 338.398 2.941 20 10 EFCDHM CC(C)CC(=O)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527242 1106182970 /nfs/dbraw/zinc/18/29/70/1106182970.db2.gz PODFJZBTJRNJEW-UHFFFAOYSA-N -1 3 326.387 2.751 20 10 EFCDHM COc1ccc(NCc2c([O-])cccc2Cl)cc1-n1nnnc1C ZINC000128395883 1109054075 /nfs/dbraw/zinc/05/40/75/1109054075.db2.gz VQFPALWCWRLVLP-UHFFFAOYSA-N -1 3 345.790 2.950 20 10 EFCDHM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC[C@]1(C)O ZINC001235057346 1111606316 /nfs/dbraw/zinc/60/63/16/1111606316.db2.gz MBYGNBFKVYRCFM-XPTSAGLGSA-N -1 3 332.213 2.887 20 10 EFCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccccc1OC(F)F ZINC000184613479 1119247564 /nfs/dbraw/zinc/24/75/64/1119247564.db2.gz LZXNUWDLEPBJPJ-UHFFFAOYSA-N -1 3 333.287 2.934 20 10 EFCDHM O=C(Nc1ccc(N2CCSCC2)cc1)c1cccc(O)c1[O-] ZINC000185723879 1120505555 /nfs/dbraw/zinc/50/55/55/1120505555.db2.gz IMLLLYHXKIIKJW-UHFFFAOYSA-N -1 3 330.409 2.903 20 10 EFCDHM O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cccc(O)c1[O-] ZINC000185831495 1120723576 /nfs/dbraw/zinc/72/35/76/1120723576.db2.gz LIVXYRSEEJBASD-UHFFFAOYSA-N -1 3 336.347 2.560 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000186859686 239677684 /nfs/dbraw/zinc/67/76/84/239677684.db2.gz MOFBWMWRTIMJTJ-LBPRGKRZSA-N -1 3 333.409 2.981 20 10 EFCDHM C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(O)c2[O-])C[C@@H](C)O1 ZINC000188228178 239772202 /nfs/dbraw/zinc/77/22/02/239772202.db2.gz UGPPMGDSAWDYOW-CHWSQXEVSA-N -1 3 342.395 2.964 20 10 EFCDHM COc1ccc(N2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1F ZINC000192617925 240054797 /nfs/dbraw/zinc/05/47/97/240054797.db2.gz BYZCVTXKLCAOOB-CYBMUJFWSA-N -1 3 346.406 2.522 20 10 EFCDHM Cc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1C ZINC000193149055 240089309 /nfs/dbraw/zinc/08/93/09/240089309.db2.gz SHXVAMPQGRIIBW-UHFFFAOYSA-N -1 3 326.396 2.677 20 10 EFCDHM Cn1c(Cl)cnc1CNCc1cccc(Br)c1[O-] ZINC000263804543 240392658 /nfs/dbraw/zinc/39/26/58/240392658.db2.gz KYQGBMWKYIHVHW-UHFFFAOYSA-N -1 3 330.613 2.831 20 10 EFCDHM Cc1ccc(C(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)c([O-])c1O ZINC000267638567 240533074 /nfs/dbraw/zinc/53/30/74/240533074.db2.gz YTVWFMSRQGXNGV-INIZCTEOSA-N -1 3 345.395 2.657 20 10 EFCDHM COc1cc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)ccc1O ZINC000275133306 240745364 /nfs/dbraw/zinc/74/53/64/240745364.db2.gz OANDFQFIXKATLH-UHFFFAOYSA-N -1 3 329.352 2.617 20 10 EFCDHM Cc1ccc(C(=O)N(CC(=O)N2CCCCCC2)C(C)C)c([O-])c1O ZINC000286693551 240995456 /nfs/dbraw/zinc/99/54/56/240995456.db2.gz XUJXNIDCGAGPFL-UHFFFAOYSA-N -1 3 348.443 2.659 20 10 EFCDHM CCCOc1ccc(CN2CC([C@@H](F)C(=O)OCC)C2)c([O-])c1 ZINC000294021284 241030828 /nfs/dbraw/zinc/03/08/28/241030828.db2.gz UXCQMVVYUBINET-MRXNPFEDSA-N -1 3 325.380 2.514 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@]2(CO)CCc3ccccc32)c1[O-] ZINC000305138359 241200137 /nfs/dbraw/zinc/20/01/37/241200137.db2.gz HCAWDFWHWGWNJL-QGZVFWFLSA-N -1 3 348.786 2.877 20 10 EFCDHM O=C1[C@@H](NCc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000363118822 242271263 /nfs/dbraw/zinc/27/12/63/242271263.db2.gz DKOAMKGVVRNVSL-INIZCTEOSA-N -1 3 330.815 2.936 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000365756339 242334426 /nfs/dbraw/zinc/33/44/26/242334426.db2.gz DNXKQQCMMAMWMK-OAHLLOKOSA-N -1 3 335.306 2.590 20 10 EFCDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000366026379 242339730 /nfs/dbraw/zinc/33/97/30/242339730.db2.gz UOPQMKJLGGVRCB-UHFFFAOYSA-N -1 3 336.779 2.987 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000366494675 242354974 /nfs/dbraw/zinc/35/49/74/242354974.db2.gz ZNCGICJWTQVNEZ-PXAZEXFGSA-N -1 3 341.835 2.824 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000366565812 242357499 /nfs/dbraw/zinc/35/74/99/242357499.db2.gz GIJUMGSGQDJWHZ-KZULUSFZSA-N -1 3 337.391 2.504 20 10 EFCDHM Cc1ccc(C(=O)NC2CCN(c3cccc(F)c3)CC2)c([O-])c1O ZINC000367454489 242381652 /nfs/dbraw/zinc/38/16/52/242381652.db2.gz QPZKPKCZYWJENO-UHFFFAOYSA-N -1 3 344.386 2.944 20 10 EFCDHM CN(C)C(=O)COc1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000113324112 544569891 /nfs/dbraw/zinc/56/98/91/544569891.db2.gz YEJZMNSZNPLIFF-UHFFFAOYSA-N -1 3 348.830 2.802 20 10 EFCDHM Cc1cc(Br)cc(CN2CCCC3(C2)OCCO3)c1[O-] ZINC000095468635 473210312 /nfs/dbraw/zinc/21/03/12/473210312.db2.gz ZKSXABUUPZIKJD-UHFFFAOYSA-N -1 3 342.233 2.802 20 10 EFCDHM C[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(F)cc1[O-] ZINC000185303634 473390347 /nfs/dbraw/zinc/39/03/47/473390347.db2.gz COHVTCRXBKIYOP-LBPRGKRZSA-N -1 3 332.375 2.708 20 10 EFCDHM CCN(CC(=O)NCC1CC1)Cc1cc(Br)ccc1[O-] ZINC000076118527 472276816 /nfs/dbraw/zinc/27/68/16/472276816.db2.gz LILYVXHOZIPFNY-UHFFFAOYSA-N -1 3 341.249 2.503 20 10 EFCDHM CCN(Cc1noc(C)n1)Cc1cc(Br)ccc1[O-] ZINC000076118435 472277327 /nfs/dbraw/zinc/27/73/27/472277327.db2.gz POSNCCOEWHPDDS-UHFFFAOYSA-N -1 3 326.194 2.868 20 10 EFCDHM CCN(Cc1nc(C)no1)Cc1cc(Br)ccc1[O-] ZINC000076118556 472277680 /nfs/dbraw/zinc/27/76/80/472277680.db2.gz YYHFUFUNXVIEBY-UHFFFAOYSA-N -1 3 326.194 2.868 20 10 EFCDHM CN(Cc1ccccc1[O-])[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088511011 472369395 /nfs/dbraw/zinc/36/93/95/472369395.db2.gz DBWYHZSAHFRXGF-HNNXBMFYSA-N -1 3 332.350 2.908 20 10 EFCDHM CCCCCNC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096971095 472402618 /nfs/dbraw/zinc/40/26/18/472402618.db2.gz VCCRLRDEHXATIW-KRWDZBQOSA-N -1 3 334.460 2.680 20 10 EFCDHM Cc1sc2[nH]c(CN(C)Cc3ccccc3[O-])nc(=O)c2c1C ZINC000089912288 472543957 /nfs/dbraw/zinc/54/39/57/472543957.db2.gz BXSHYAJCABXMQZ-UHFFFAOYSA-N -1 3 329.425 2.939 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCCN(CC(F)F)CC2)c1[O-] ZINC000091082729 472699621 /nfs/dbraw/zinc/69/96/21/472699621.db2.gz ZYJYHKOESUWNDS-UHFFFAOYSA-N -1 3 330.350 2.507 20 10 EFCDHM COc1ccccc1[C@@H](NCc1ccccc1[O-])c1noc(C)n1 ZINC000073008370 472758114 /nfs/dbraw/zinc/75/81/14/472758114.db2.gz CTPBKWRSLBUMOG-QGZVFWFLSA-N -1 3 325.368 2.971 20 10 EFCDHM Cc1cc(O)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000091923664 472827748 /nfs/dbraw/zinc/82/77/48/472827748.db2.gz GHVCQXKJRAGVGA-UHFFFAOYSA-N -1 3 340.423 2.673 20 10 EFCDHM COc1cc(CN(C)Cc2ccccc2[O-])c([N+](=O)[O-])cc1OC ZINC000091956787 472832361 /nfs/dbraw/zinc/83/23/61/472832361.db2.gz YCVANBFIUKTJCF-UHFFFAOYSA-N -1 3 332.356 2.950 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C[C@@H](O)C(F)(F)F ZINC000121399704 472846373 /nfs/dbraw/zinc/84/63/73/472846373.db2.gz DSTWITQNJTYJNL-LLVKDONJSA-N -1 3 342.155 2.900 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCCN(CC(F)(F)F)CC2)c1[O-] ZINC000079438250 472863707 /nfs/dbraw/zinc/86/37/07/472863707.db2.gz DVVPFJSXNGXXKO-UHFFFAOYSA-N -1 3 348.340 2.804 20 10 EFCDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000158082522 472890868 /nfs/dbraw/zinc/89/08/68/472890868.db2.gz OIBURHIEJAYWJK-CQSZACIVSA-N -1 3 349.818 2.736 20 10 EFCDHM COC(=O)CN(Cc1cncs1)Cc1cc(Cl)ccc1[O-] ZINC000093277027 473071944 /nfs/dbraw/zinc/07/19/44/473071944.db2.gz FLUVFFYRZIHNLP-UHFFFAOYSA-N -1 3 326.805 2.677 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000135546827 473091856 /nfs/dbraw/zinc/09/18/56/473091856.db2.gz ULVFZZIFYFELGJ-LSDHHAIUSA-N -1 3 341.860 2.955 20 10 EFCDHM COC(=O)CN(Cc1c(C)n[nH]c1C)Cc1cc(Cl)ccc1[O-] ZINC000123217596 473113029 /nfs/dbraw/zinc/11/30/29/473113029.db2.gz WLDMKJLYWVBMQE-UHFFFAOYSA-N -1 3 337.807 2.561 20 10 EFCDHM COc1cc(Br)cc(CN2CCOCC23CCC3)c1[O-] ZINC000093509906 473114747 /nfs/dbraw/zinc/11/47/47/473114747.db2.gz MYNAYAFVNINKAT-UHFFFAOYSA-N -1 3 342.233 2.918 20 10 EFCDHM COC(=O)CN(Cc1nc(C)c(C)o1)Cc1cc(Cl)ccc1[O-] ZINC000109779810 473119274 /nfs/dbraw/zinc/11/92/74/473119274.db2.gz XXUYUQYDZJEKHB-UHFFFAOYSA-N -1 3 338.791 2.826 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000093664699 473132061 /nfs/dbraw/zinc/13/20/61/473132061.db2.gz PFCMUOUFTISLMC-LBPRGKRZSA-N -1 3 345.270 2.853 20 10 EFCDHM C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)Cc1ccccc1[O-] ZINC000111235637 473197845 /nfs/dbraw/zinc/19/78/45/473197845.db2.gz VJPQWCXKQHAQJE-RHSMWYFYSA-N -1 3 340.423 2.853 20 10 EFCDHM CN(CC(=O)N(C)CCOc1ccccc1F)Cc1ccccc1[O-] ZINC000111236369 473197959 /nfs/dbraw/zinc/19/79/59/473197959.db2.gz WKHDGVJLXMJIOA-UHFFFAOYSA-N -1 3 346.402 2.501 20 10 EFCDHM CN(Cc1ccccc1[O-])[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000111234980 473198022 /nfs/dbraw/zinc/19/80/22/473198022.db2.gz BYEAWEMURWFBSM-GOSISDBHSA-N -1 3 328.387 2.983 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c([O-])c1O ZINC000185606576 473466291 /nfs/dbraw/zinc/46/62/91/473466291.db2.gz KUBLLOYEWLSXNJ-INIZCTEOSA-N -1 3 341.407 2.880 20 10 EFCDHM O=C(C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000185822186 473523378 /nfs/dbraw/zinc/52/33/78/473523378.db2.gz SZEKCOUGHPSRFI-CQSZACIVSA-N -1 3 325.364 2.975 20 10 EFCDHM COC(=O)[C@H](C)N(Cc1cc(Cl)cc(OC)c1[O-])C1CCC1 ZINC000191648432 473563680 /nfs/dbraw/zinc/56/36/80/473563680.db2.gz RTIVMGLYRUXWAQ-JTQLQIEISA-N -1 3 327.808 2.970 20 10 EFCDHM Cc1cc(N2CC[C@H](N[C@H](C)c3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000186083066 473586692 /nfs/dbraw/zinc/58/66/92/473586692.db2.gz RCUWAQXPWJRCFK-RISCZKNCSA-N -1 3 348.834 2.544 20 10 EFCDHM CC[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1[O-] ZINC000287781729 473758786 /nfs/dbraw/zinc/75/87/86/473758786.db2.gz SDSJFMFYNKOOJS-LSDHHAIUSA-N -1 3 348.834 2.625 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCSC3(CCOCC3)C2)c1[O-] ZINC000186841255 473767688 /nfs/dbraw/zinc/76/76/88/473767688.db2.gz FBEPGZPMXQXCOO-UHFFFAOYSA-N -1 3 339.432 2.832 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1nncn1C ZINC000287831033 473772322 /nfs/dbraw/zinc/77/23/22/473772322.db2.gz QCJLHCDFFHKRFT-SNVBAGLBSA-N -1 3 339.237 2.866 20 10 EFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000186887670 473775127 /nfs/dbraw/zinc/77/51/27/473775127.db2.gz VMHQWBKHGZXDFA-NSHDSACASA-N -1 3 340.379 2.937 20 10 EFCDHM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cccc(O)c1[O-] ZINC000186896948 473776577 /nfs/dbraw/zinc/77/65/77/473776577.db2.gz OIZFIDWRLVPJOJ-UHFFFAOYSA-N -1 3 340.379 2.766 20 10 EFCDHM Cc1nccn1-c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1F ZINC000187018221 473803632 /nfs/dbraw/zinc/80/36/32/473803632.db2.gz WWGMXVNMLQHFQU-UHFFFAOYSA-N -1 3 341.342 2.661 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000187203688 473837111 /nfs/dbraw/zinc/83/71/11/473837111.db2.gz VOUXYGDGJDHOTL-HNNXBMFYSA-N -1 3 327.380 2.919 20 10 EFCDHM CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000281829243 473851647 /nfs/dbraw/zinc/85/16/47/473851647.db2.gz OTVSBPPWBDDTEH-CQSZACIVSA-N -1 3 329.400 2.990 20 10 EFCDHM COC(=O)c1cccc([C@H](C(=O)OC)N(C)Cc2ccccc2[O-])c1 ZINC000269992000 473947264 /nfs/dbraw/zinc/94/72/64/473947264.db2.gz JIKWXFNXRPWHEB-QGZVFWFLSA-N -1 3 343.379 2.525 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c([O-])c1O ZINC000282164356 473966972 /nfs/dbraw/zinc/96/69/72/473966972.db2.gz QYRJKCBGGGUCEJ-MSQAHXEGSA-N -1 3 333.428 2.808 20 10 EFCDHM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cccc(O)c1[O-] ZINC000188326593 474059877 /nfs/dbraw/zinc/05/98/77/474059877.db2.gz LOHVLPNVVNTQON-UHFFFAOYSA-N -1 3 340.379 2.863 20 10 EFCDHM COC(=O)[C@@H](NCc1cc2c(cc1[O-])OCO2)c1cc(C)cc(C)c1 ZINC000275119696 474076005 /nfs/dbraw/zinc/07/60/05/474076005.db2.gz ISBJFMRTQVUSRK-SFHVURJKSA-N -1 3 343.379 2.742 20 10 EFCDHM CCn1cnnc1CN[C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275324644 474145147 /nfs/dbraw/zinc/14/51/47/474145147.db2.gz LSYVNFGAXPBDBF-JTQLQIEISA-N -1 3 339.237 2.925 20 10 EFCDHM CCCCCN1CC(=O)N[C@@H]1c1cc(Br)ccc1[O-] ZINC000182318788 474148922 /nfs/dbraw/zinc/14/89/22/474148922.db2.gz CGRXPSYEIYQZRO-AWEZNQCLSA-N -1 3 327.222 2.775 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1n[nH]cc1C ZINC000225666529 474234420 /nfs/dbraw/zinc/23/44/20/474234420.db2.gz GDTFIYALWWDPRF-UHFFFAOYSA-N -1 3 338.205 2.849 20 10 EFCDHM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182851007 474271387 /nfs/dbraw/zinc/27/13/87/474271387.db2.gz YIWDUWUZFOYPCR-OAHLLOKOSA-N -1 3 329.396 2.820 20 10 EFCDHM CN(CC(=O)NC1CC1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182960720 474296405 /nfs/dbraw/zinc/29/64/05/474296405.db2.gz OEZXKEZIAHRHAN-UHFFFAOYSA-N -1 3 340.423 2.682 20 10 EFCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([O-])c1O ZINC000182990899 474301788 /nfs/dbraw/zinc/30/17/88/474301788.db2.gz YBBRZPKJKKRYDI-WMLDXEAASA-N -1 3 349.333 2.944 20 10 EFCDHM COC[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000183085403 474324175 /nfs/dbraw/zinc/32/41/75/474324175.db2.gz CODZXHHCWPWMIC-IBGZPJMESA-N -1 3 343.423 2.818 20 10 EFCDHM COCc1nc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cs1 ZINC000289661773 474366448 /nfs/dbraw/zinc/36/64/48/474366448.db2.gz GTYBONKAZZRHNL-JTQLQIEISA-N -1 3 336.413 2.633 20 10 EFCDHM C[C@H](NCc1ccc(OCc2ccccc2)cc1[O-])c1ncn(C)n1 ZINC000276150608 474432598 /nfs/dbraw/zinc/43/25/98/474432598.db2.gz DYFBIRKVYYNEHO-AWEZNQCLSA-N -1 3 338.411 2.951 20 10 EFCDHM CNC(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271192624 474432945 /nfs/dbraw/zinc/43/29/45/474432945.db2.gz QRTHFNDXPZOSDM-UHFFFAOYSA-N -1 3 325.412 2.516 20 10 EFCDHM COc1c([O-])c(CN[C@H]2c3ccccc3O[C@H]2C)ccc1[N+](=O)[O-] ZINC000289985833 474515636 /nfs/dbraw/zinc/51/56/36/474515636.db2.gz BWOYUSNPQQYFGB-ZUZCIYMTSA-N -1 3 330.340 2.921 20 10 EFCDHM C[C@@H](N[C@@H](C)c1ncnn1C)c1ccc(Br)cc1[O-] ZINC000276696586 474568291 /nfs/dbraw/zinc/56/82/91/474568291.db2.gz VJWZQAGYBWQLNB-BDAKNGLRSA-N -1 3 325.210 2.695 20 10 EFCDHM C[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1ncnn1C ZINC000276696591 474568585 /nfs/dbraw/zinc/56/85/85/474568585.db2.gz VJWZQAGYBWQLNB-IUCAKERBSA-N -1 3 325.210 2.695 20 10 EFCDHM Cc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2[O-])N(C)C)cc1 ZINC000276664309 474568800 /nfs/dbraw/zinc/56/88/00/474568800.db2.gz YLEUZBDISLAGGS-AWEZNQCLSA-N -1 3 332.375 2.578 20 10 EFCDHM COc1cc(Cl)cc(CN2CCN(c3ccccn3)CC2)c1[O-] ZINC000184672424 474580497 /nfs/dbraw/zinc/58/04/97/474580497.db2.gz MWLKPSUJKZHUKI-UHFFFAOYSA-N -1 3 333.819 2.771 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277696897 474593514 /nfs/dbraw/zinc/59/35/14/474593514.db2.gz LSJBBRBVHJBGHH-UHFFFAOYSA-N -1 3 341.407 2.555 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000277823386 474596889 /nfs/dbraw/zinc/59/68/89/474596889.db2.gz RBMVKTQYAJRVTL-BMIGLBTASA-N -1 3 349.324 2.869 20 10 EFCDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271896715 474598559 /nfs/dbraw/zinc/59/85/59/474598559.db2.gz YKULVMDSJJMJQA-INIZCTEOSA-N -1 3 335.835 2.725 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291266707 474599603 /nfs/dbraw/zinc/59/96/03/474599603.db2.gz QKQCFQNOTVJYGU-FQEVSTJZSA-N -1 3 341.407 2.555 20 10 EFCDHM COc1cccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278176194 474602747 /nfs/dbraw/zinc/60/27/47/474602747.db2.gz GIKWQXPNJFMUDG-UHFFFAOYSA-N -1 3 332.356 2.950 20 10 EFCDHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000272717720 474623995 /nfs/dbraw/zinc/62/39/95/474623995.db2.gz GLBQWNKYJSMBKB-OAHLLOKOSA-N -1 3 343.379 2.625 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c([O-])c1O ZINC000272803008 474625497 /nfs/dbraw/zinc/62/54/97/474625497.db2.gz YVGBKRIMBKOZIP-OAHLLOKOSA-N -1 3 349.427 2.597 20 10 EFCDHM Cn1ncc(Cl)c1CNCc1cccc(Br)c1[O-] ZINC000278393818 474632364 /nfs/dbraw/zinc/63/23/64/474632364.db2.gz NBSNPQSIROVAAL-UHFFFAOYSA-N -1 3 330.613 2.831 20 10 EFCDHM COC(=O)CN(CCC1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000292849662 474674702 /nfs/dbraw/zinc/67/47/02/474674702.db2.gz FXJCVPGQRGFIFA-UHFFFAOYSA-N -1 3 341.835 2.837 20 10 EFCDHM Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c([O-])c1O ZINC000267634658 474677722 /nfs/dbraw/zinc/67/77/22/474677722.db2.gz XZCGKJWKKQSMHX-SFHVURJKSA-N -1 3 341.407 2.992 20 10 EFCDHM Cc1ccc(O)c(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292865406 474682486 /nfs/dbraw/zinc/68/24/86/474682486.db2.gz VUCQNVQOZPKLAX-DGCLKSJQSA-N -1 3 330.350 2.732 20 10 EFCDHM NC(=O)c1ccc(CN(Cc2cc(F)ccc2[O-])C2CC2)c(F)c1 ZINC000292892472 474700218 /nfs/dbraw/zinc/70/02/18/474700218.db2.gz ZEZPHPDDTVOLMJ-UHFFFAOYSA-N -1 3 332.350 2.934 20 10 EFCDHM Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000273178910 474762421 /nfs/dbraw/zinc/76/24/21/474762421.db2.gz DYUURNUGCIFXRH-UHFFFAOYSA-N -1 3 348.406 2.788 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(Oc3ccncc3C)CC2)c([O-])c1O ZINC000278712974 474789931 /nfs/dbraw/zinc/78/99/31/474789931.db2.gz QXOZCTANCHKDJY-UHFFFAOYSA-N -1 3 342.395 2.793 20 10 EFCDHM C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273434809 474895220 /nfs/dbraw/zinc/89/52/20/474895220.db2.gz WPPITYHXYWIODG-OLZOCXBDSA-N -1 3 343.383 2.656 20 10 EFCDHM COc1c([O-])c(CNCc2ccc(OC(C)C)nc2)ccc1[N+](=O)[O-] ZINC000278941389 474931395 /nfs/dbraw/zinc/93/13/95/474931395.db2.gz XTSASYPNPSBATL-UHFFFAOYSA-N -1 3 347.371 2.781 20 10 EFCDHM C[C@@H](N[C@@H](C)c1nncn1C)c1ccc(Br)cc1[O-] ZINC000273593350 474980522 /nfs/dbraw/zinc/98/05/22/474980522.db2.gz PVGDXLQKGBMTEQ-BDAKNGLRSA-N -1 3 325.210 2.695 20 10 EFCDHM COC[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000279123445 474960852 /nfs/dbraw/zinc/96/08/52/474960852.db2.gz UYEHLDMXSGULNY-LSDHHAIUSA-N -1 3 327.808 2.532 20 10 EFCDHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(O)c1[O-] ZINC000279525794 474978282 /nfs/dbraw/zinc/97/82/82/474978282.db2.gz KPLYLLDSAVPNKQ-AWEZNQCLSA-N -1 3 329.352 2.908 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn3c(cccc3C)n2)c1 ZINC000273605888 474987119 /nfs/dbraw/zinc/98/71/19/474987119.db2.gz UAGYZEFUWHDBSD-CYBMUJFWSA-N -1 3 339.395 2.986 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn3cc(C)ccc3n2)c1 ZINC000273610480 474988878 /nfs/dbraw/zinc/98/88/78/474988878.db2.gz VSJJDEXDEWWHRF-CYBMUJFWSA-N -1 3 339.395 2.986 20 10 EFCDHM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1[O-] ZINC000279829496 474996254 /nfs/dbraw/zinc/99/62/54/474996254.db2.gz BCDQVZNGOZFDBU-BBRMVZONSA-N -1 3 331.343 2.887 20 10 EFCDHM COc1cc(Cl)cc(CN2CCC(NC(=O)C(C)C)CC2)c1[O-] ZINC000273686522 475011615 /nfs/dbraw/zinc/01/16/15/475011615.db2.gz AOWOCFSATSPCAL-UHFFFAOYSA-N -1 3 340.851 2.791 20 10 EFCDHM O=C1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CN1C1CC1 ZINC000280435851 475025319 /nfs/dbraw/zinc/02/53/19/475025319.db2.gz JWKRBLXOCQLNMG-UHFFFAOYSA-N -1 3 338.407 2.735 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCOc3cc(O)ccc3C2)c1[O-] ZINC000285457734 475026276 /nfs/dbraw/zinc/02/62/76/475026276.db2.gz JOQYJDZSMADUDN-UHFFFAOYSA-N -1 3 331.343 2.834 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H](C)C(C)(F)F ZINC000293587192 475042168 /nfs/dbraw/zinc/04/21/68/475042168.db2.gz WVFWHOHMVJBNCJ-SECBINFHSA-N -1 3 349.761 2.839 20 10 EFCDHM COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N(C)Cc1ccccc1[O-] ZINC000268911272 475065731 /nfs/dbraw/zinc/06/57/31/475065731.db2.gz NISOWCUAPDOJPI-GOSISDBHSA-N -1 3 345.395 2.756 20 10 EFCDHM [O-]c1c(Br)cccc1CNCc1cnn(CC(F)F)c1 ZINC000294792418 475083890 /nfs/dbraw/zinc/08/38/90/475083890.db2.gz VHJDWPXMZNOZFV-UHFFFAOYSA-N -1 3 346.175 2.906 20 10 EFCDHM CCOC(=O)[C@@]1(COC)CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000281145245 475090055 /nfs/dbraw/zinc/09/00/55/475090055.db2.gz FDBMRVHAZFPIIL-KRWDZBQOSA-N -1 3 341.835 2.837 20 10 EFCDHM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)[C@H](c1ccccc1)N(C)C ZINC000294924270 475091523 /nfs/dbraw/zinc/09/15/23/475091523.db2.gz GXQILLRVYLURRA-BDJLRTHQSA-N -1 3 332.375 2.658 20 10 EFCDHM CCN(Cc1nnc(C)[nH]1)Cc1cc(Br)ccc1[O-] ZINC000292604371 475111560 /nfs/dbraw/zinc/11/15/60/475111560.db2.gz WIWISQGJBLSEKH-UHFFFAOYSA-N -1 3 325.210 2.603 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](N3CCCCC3=O)C2)c1[O-] ZINC000361366002 475388953 /nfs/dbraw/zinc/38/89/53/475388953.db2.gz RFKSMJHMGVXZDK-INIZCTEOSA-N -1 3 348.418 2.711 20 10 EFCDHM COc1c([O-])c(CN2CC(COc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000297446460 475759508 /nfs/dbraw/zinc/75/95/08/475759508.db2.gz QAKLRCIRCAXFAC-UHFFFAOYSA-N -1 3 344.367 2.820 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000373116841 476377718 /nfs/dbraw/zinc/37/77/18/476377718.db2.gz ZPLDKVIZSLYZDU-ZDUSSCGKSA-N -1 3 331.391 2.847 20 10 EFCDHM Cn1ccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000369295429 476404943 /nfs/dbraw/zinc/40/49/43/476404943.db2.gz VUDSCDUDLGOBPT-INIZCTEOSA-N -1 3 334.851 2.533 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000369295930 476404970 /nfs/dbraw/zinc/40/49/70/476404970.db2.gz ZIGONIPDMNUOOK-GFCCVEGCSA-N -1 3 337.391 2.504 20 10 EFCDHM Cn1ccc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000369295431 476405455 /nfs/dbraw/zinc/40/54/55/476405455.db2.gz VUDSCDUDLGOBPT-MRXNPFEDSA-N -1 3 334.851 2.533 20 10 EFCDHM O=C([C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1)N1CCCC1 ZINC000377849812 476612616 /nfs/dbraw/zinc/61/26/16/476612616.db2.gz AOQRLEVXYZOIKO-NSHDSACASA-N -1 3 326.799 2.629 20 10 EFCDHM CCS[C@@H](C)c1noc(CN(C)C(=O)c2cccc(O)c2[O-])n1 ZINC000408515127 476958301 /nfs/dbraw/zinc/95/83/01/476958301.db2.gz RKWDIULAUQOVQV-VIFPVBQESA-N -1 3 337.401 2.567 20 10 EFCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2ccco2)[n-]n1 ZINC000437017371 477663123 /nfs/dbraw/zinc/66/31/23/477663123.db2.gz JASVOFGENOBDOL-UHFFFAOYSA-N -1 3 338.367 2.775 20 10 EFCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2ccco2)n[n-]1 ZINC000437017371 477663130 /nfs/dbraw/zinc/66/31/30/477663130.db2.gz JASVOFGENOBDOL-UHFFFAOYSA-N -1 3 338.367 2.775 20 10 EFCDHM COc1cc(Br)cc(CN2CC([C@@H]3CCOC3)C2)c1[O-] ZINC000368441243 477806834 /nfs/dbraw/zinc/80/68/34/477806834.db2.gz KVULZMIXOTUPBA-SNVBAGLBSA-N -1 3 342.233 2.632 20 10 EFCDHM CCn1nncc1CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000527920675 478571254 /nfs/dbraw/zinc/57/12/54/478571254.db2.gz QIIJWWDBYLMLJU-VIFPVBQESA-N -1 3 325.210 2.617 20 10 EFCDHM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000188328360 528146012 /nfs/dbraw/zinc/14/60/12/528146012.db2.gz FZCWVSUFMOXDMW-CQSZACIVSA-N -1 3 348.443 2.647 20 10 EFCDHM CCN(Cc1ncnn1CC)Cc1cc(Br)ccc1[O-] ZINC000193365256 535394152 /nfs/dbraw/zinc/39/41/52/535394152.db2.gz SSWXHLHKCWKOFA-UHFFFAOYSA-N -1 3 339.237 2.788 20 10 EFCDHM CCS(=O)(=O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192814048 535633850 /nfs/dbraw/zinc/63/38/50/535633850.db2.gz YPXBCEZDDBULBR-MRVPVSSYSA-N -1 3 326.245 2.784 20 10 EFCDHM CCn1nccc1C1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000279461151 535860183 /nfs/dbraw/zinc/86/01/83/535860183.db2.gz LCXNZDOFWGJQFM-UHFFFAOYSA-N -1 3 329.400 2.642 20 10 EFCDHM Cc1ccc(CNC(=O)c2cc([O-])cs2)c(N2CCOCC2)c1 ZINC000754039475 575378706 /nfs/dbraw/zinc/37/87/06/575378706.db2.gz XHVHFBLFKJAMLW-UHFFFAOYSA-N -1 3 332.425 2.529 20 10 EFCDHM CN(Cc1c([O-])ccc2ccncc21)c1ccccc1S(C)(=O)=O ZINC000754756853 575483808 /nfs/dbraw/zinc/48/38/08/575483808.db2.gz VGYFNMMVFYDQHP-UHFFFAOYSA-N -1 3 342.420 2.980 20 10 EFCDHM Cc1ccc(C(=O)NCc2cc(Cl)cc3c2OCC3)c([O-])c1O ZINC000756362875 575723270 /nfs/dbraw/zinc/72/32/70/575723270.db2.gz OAYDWVXYENKYTH-UHFFFAOYSA-N -1 3 333.771 2.925 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn3ccccc3n2)c1 ZINC000756364276 575723759 /nfs/dbraw/zinc/72/37/59/575723759.db2.gz SMOIJUJZZSZZKM-LBPRGKRZSA-N -1 3 325.368 2.677 20 10 EFCDHM C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000756382484 575727380 /nfs/dbraw/zinc/72/73/80/575727380.db2.gz DCMSRDFGZVDUCG-LLVKDONJSA-N -1 3 338.404 2.754 20 10 EFCDHM CCN(CC)c1ccc(CN[C@@H](Cn2nc(C)cc2C)C(=O)[O-])cc1 ZINC000756387770 575728276 /nfs/dbraw/zinc/72/82/76/575728276.db2.gz MVFGORPWVAQZPA-SFHVURJKSA-N -1 3 344.459 2.589 20 10 EFCDHM CCN(CC)C(=O)CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000756460284 575742557 /nfs/dbraw/zinc/74/25/57/575742557.db2.gz ZISNYOHKLAKVBI-JTQLQIEISA-N -1 3 329.238 2.674 20 10 EFCDHM C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1cc(F)cc(F)c1[O-] ZINC000756460579 575742999 /nfs/dbraw/zinc/74/29/99/575742999.db2.gz SFSZVHSIIBNPJK-BONVTDFDSA-N -1 3 337.370 2.587 20 10 EFCDHM C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756474006 575744917 /nfs/dbraw/zinc/74/49/17/575744917.db2.gz GFQXIEFTLBKMDC-OLZOCXBDSA-N -1 3 341.367 2.757 20 10 EFCDHM C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756474003 575744982 /nfs/dbraw/zinc/74/49/82/575744982.db2.gz GFQXIEFTLBKMDC-CHWSQXEVSA-N -1 3 341.367 2.757 20 10 EFCDHM C[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000756650019 575772401 /nfs/dbraw/zinc/77/24/01/575772401.db2.gz SVHKTIXIKQUSCD-SECBINFHSA-N -1 3 328.359 2.940 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000756684431 575776958 /nfs/dbraw/zinc/77/69/58/575776958.db2.gz JNSAOUKGHOLWPS-LLVKDONJSA-N -1 3 330.340 2.938 20 10 EFCDHM COc1cc(Br)cc(CNCc2cc(C)ncn2)c1[O-] ZINC000756989606 575808357 /nfs/dbraw/zinc/80/83/57/575808357.db2.gz FDDIVENIWAUZIQ-UHFFFAOYSA-N -1 3 338.205 2.552 20 10 EFCDHM CCN1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1=O ZINC000758275531 575865487 /nfs/dbraw/zinc/86/54/87/575865487.db2.gz JFXUAYMQGXLDSA-UHFFFAOYSA-N -1 3 328.412 2.681 20 10 EFCDHM Cc1ccc(CNC(=O)c2cc([O-])cs2)c(O[C@@H]2CCOC2)c1 ZINC000759095316 575884495 /nfs/dbraw/zinc/88/44/95/575884495.db2.gz WGOWIJWWOCEHAR-CQSZACIVSA-N -1 3 333.409 2.860 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CCC(S(C)(=O)=O)CC3)c2c1 ZINC000760396384 576017520 /nfs/dbraw/zinc/01/75/20/576017520.db2.gz KRPCQNPBXVQEGP-UHFFFAOYSA-N -1 3 349.452 2.563 20 10 EFCDHM C[C@@H](c1cccnc1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000760949764 576092550 /nfs/dbraw/zinc/09/25/50/576092550.db2.gz GUGRVDASHLFXDO-NSHDSACASA-N -1 3 345.786 2.966 20 10 EFCDHM CCCC(=O)NC1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000761192551 576128053 /nfs/dbraw/zinc/12/80/53/576128053.db2.gz RPAFPRPLUIJRER-UHFFFAOYSA-N -1 3 340.851 2.935 20 10 EFCDHM COc1ccccc1[C@@H](NC(=O)c1cc([O-])cs1)c1noc(C)n1 ZINC000762571447 576314165 /nfs/dbraw/zinc/31/41/65/576314165.db2.gz ZNIIJDTXFSAGFD-CQSZACIVSA-N -1 3 345.380 2.673 20 10 EFCDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)s1 ZINC000763578734 576381729 /nfs/dbraw/zinc/38/17/29/576381729.db2.gz OIYCOLJZYGKRKD-UHFFFAOYSA-N -1 3 339.486 2.558 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccccc3)C(=O)C2)c1[O-] ZINC000765071028 577003253 /nfs/dbraw/zinc/00/32/53/577003253.db2.gz JMTXPFQOQKQEOD-UHFFFAOYSA-N -1 3 342.370 2.583 20 10 EFCDHM COC(=O)C[C@@]1(NCc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000766468646 577154447 /nfs/dbraw/zinc/15/44/47/577154447.db2.gz LRRPUQAUCFSFNI-AWEZNQCLSA-N -1 3 334.199 2.511 20 10 EFCDHM COc1ccc(N(Cc2nc3c(cnn3C)c(=O)[n-]2)C(C)C)cc1F ZINC000725816141 577233103 /nfs/dbraw/zinc/23/31/03/577233103.db2.gz JIMJKUREDUWKTO-UHFFFAOYSA-N -1 3 345.378 2.632 20 10 EFCDHM COc1cccc([O-])c1CN(C)Cc1ccccc1N1CCOCC1 ZINC000768205420 577260847 /nfs/dbraw/zinc/26/08/47/577260847.db2.gz DPZAZUHGGVQFJA-UHFFFAOYSA-N -1 3 342.439 2.869 20 10 EFCDHM COCCCNC(=O)CN(C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768213805 577261089 /nfs/dbraw/zinc/26/10/89/577261089.db2.gz SZNDCBYOIJJCHX-UHFFFAOYSA-N -1 3 342.439 2.644 20 10 EFCDHM Cc1ccccc1[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768444779 577274164 /nfs/dbraw/zinc/27/41/64/577274164.db2.gz CUKMWZDPKXFLMM-AZUAARDMSA-N -1 3 341.407 2.700 20 10 EFCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H](c2ccsc2)O1 ZINC000768462575 577276065 /nfs/dbraw/zinc/27/60/65/577276065.db2.gz ALJYHTJRILSUIC-ONUMYQOESA-N -1 3 347.436 2.842 20 10 EFCDHM Cc1ccc(C(=O)NC2CC(OCc3ccccc3)C2)c([O-])c1O ZINC000768532638 577281267 /nfs/dbraw/zinc/28/12/67/577281267.db2.gz NAULHYJMEUIBQZ-UHFFFAOYSA-N -1 3 327.380 2.884 20 10 EFCDHM CCOc1ccc(CN2CCN(C3=NCC(C)(C)S3)CC2)c([O-])c1 ZINC000768885659 577314062 /nfs/dbraw/zinc/31/40/62/577314062.db2.gz HFSQBUCKDDWAIN-UHFFFAOYSA-N -1 3 349.500 2.790 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(CC)COC1 ZINC000769291904 577349619 /nfs/dbraw/zinc/34/96/19/577349619.db2.gz OVNASBLPXOSOFG-UHFFFAOYSA-N -1 3 342.233 2.930 20 10 EFCDHM COc1cccc([O-])c1CN(C)Cc1nccn1CC(F)(F)F ZINC000769317025 577351572 /nfs/dbraw/zinc/35/15/72/577351572.db2.gz PFXGRPPSETTZCK-UHFFFAOYSA-N -1 3 329.322 2.792 20 10 EFCDHM CCOc1ccc(CN2CCN(Cc3nc(C)c(C)o3)CC2)c([O-])c1 ZINC000769326195 577352471 /nfs/dbraw/zinc/35/24/71/577352471.db2.gz DMPRMLCEONJGEW-UHFFFAOYSA-N -1 3 345.443 2.714 20 10 EFCDHM CC(C)(CO)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769446118 577362729 /nfs/dbraw/zinc/36/27/29/577362729.db2.gz NBKOHBBWTNRMNG-UHFFFAOYSA-N -1 3 333.259 2.588 20 10 EFCDHM CCOc1ccc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c([O-])c1 ZINC000769482884 577365958 /nfs/dbraw/zinc/36/59/58/577365958.db2.gz KPPRMSZOPWQYDF-NVXWUHKLSA-N -1 3 341.473 2.579 20 10 EFCDHM CCC(CC)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000769748314 577382248 /nfs/dbraw/zinc/38/22/48/577382248.db2.gz FKZNIJPRBFYDDW-UHFFFAOYSA-N -1 3 340.445 2.557 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000769994367 577396808 /nfs/dbraw/zinc/39/68/08/577396808.db2.gz SMDQNTLDVLEGEQ-UHFFFAOYSA-N -1 3 329.352 2.879 20 10 EFCDHM CCOc1ccc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000770333045 577411557 /nfs/dbraw/zinc/41/15/57/577411557.db2.gz VXXFYBPCBZXLMK-INIZCTEOSA-N -1 3 331.416 2.704 20 10 EFCDHM Cc1ccc(C(=O)NCCc2nc3ccccc3s2)c([O-])c1O ZINC000770465738 577420134 /nfs/dbraw/zinc/42/01/34/577420134.db2.gz HVWYVWCTCUOKFT-UHFFFAOYSA-N -1 3 328.393 2.988 20 10 EFCDHM CCOC(=O)COc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770474225 577420524 /nfs/dbraw/zinc/42/05/24/577420524.db2.gz YMAGLRJXNHPCHH-UHFFFAOYSA-N -1 3 345.351 2.600 20 10 EFCDHM COC(=O)COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(C)c1 ZINC000770485609 577421082 /nfs/dbraw/zinc/42/10/82/577421082.db2.gz GKVBMNVDGRIMEL-UHFFFAOYSA-N -1 3 345.351 2.519 20 10 EFCDHM COC(=O)NCc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000770495821 577421668 /nfs/dbraw/zinc/42/16/68/577421668.db2.gz YODUFEUJFDOURA-UHFFFAOYSA-N -1 3 330.340 2.515 20 10 EFCDHM COc1ccc(NCc2cc(Cl)ccc2[O-])cc1-n1cnnn1 ZINC000770588201 581113828 /nfs/dbraw/zinc/11/38/28/581113828.db2.gz JPNCSLPRTHUFOR-UHFFFAOYSA-N -1 3 331.763 2.642 20 10 EFCDHM COc1c([O-])c(CNc2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000774915804 581504097 /nfs/dbraw/zinc/50/40/97/581504097.db2.gz VUMDVTFGIRCGPT-UHFFFAOYSA-N -1 3 331.328 2.880 20 10 EFCDHM COc1c([O-])c(CNc2ccc(N(C)C(C)=O)cc2)ccc1[N+](=O)[O-] ZINC000774937264 581504613 /nfs/dbraw/zinc/50/46/13/581504613.db2.gz WSOYWBRFFMPILA-UHFFFAOYSA-N -1 3 345.355 2.904 20 10 EFCDHM CC(C)Oc1ccc(NC(=O)C2=CC(=O)CS2)cc1-c1nnn[n-]1 ZINC000820169086 607440275 /nfs/dbraw/zinc/44/02/75/607440275.db2.gz DXPWILGTAZLGMG-UHFFFAOYSA-N -1 3 345.384 2.673 20 10 EFCDHM CC(C)(C)c1cc(O)c(O)c(CN2CCSC[C@H]2CC(=O)[O-])c1 ZINC000736294202 600704768 /nfs/dbraw/zinc/70/47/68/600704768.db2.gz KPUOMAUJAXPPGR-CYBMUJFWSA-N -1 3 339.457 2.787 20 10 EFCDHM O=C([O-])[C@@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000833771116 604762802 /nfs/dbraw/zinc/76/28/02/604762802.db2.gz VUXCSNKAGYEUFC-IBGZPJMESA-N -1 3 341.407 2.717 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c1[O-] ZINC000831354366 604982753 /nfs/dbraw/zinc/98/27/53/604982753.db2.gz ZGHGTPZIRHGQMW-ZDUSSCGKSA-N -1 3 343.379 2.771 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1[O-] ZINC000831354366 604982757 /nfs/dbraw/zinc/98/27/57/604982757.db2.gz ZGHGTPZIRHGQMW-ZDUSSCGKSA-N -1 3 343.379 2.771 20 10 EFCDHM CC1=C(C(=O)[O-])C[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000833584884 605360974 /nfs/dbraw/zinc/36/09/74/605360974.db2.gz SSJOESDUBLFXNY-JKSUJKDBSA-N -1 3 347.411 2.521 20 10 EFCDHM CC1=C(C(=O)[O-])C[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000833584884 605360977 /nfs/dbraw/zinc/36/09/77/605360977.db2.gz SSJOESDUBLFXNY-JKSUJKDBSA-N -1 3 347.411 2.521 20 10 EFCDHM COc1ccc(N(C)CCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821828546 606882139 /nfs/dbraw/zinc/88/21/39/606882139.db2.gz XAKZQNGXXJUBKW-UHFFFAOYSA-N -1 3 343.362 2.530 20 10 EFCDHM COc1ccc(N(C)CCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821828546 606882141 /nfs/dbraw/zinc/88/21/41/606882141.db2.gz XAKZQNGXXJUBKW-UHFFFAOYSA-N -1 3 343.362 2.530 20 10 EFCDHM Clc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000826351396 608295690 /nfs/dbraw/zinc/29/56/90/608295690.db2.gz KWEPLARBDIQSPP-UHFFFAOYSA-N -1 3 339.790 2.604 20 10 EFCDHM Clc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000826351396 608295692 /nfs/dbraw/zinc/29/56/92/608295692.db2.gz KWEPLARBDIQSPP-UHFFFAOYSA-N -1 3 339.790 2.604 20 10 EFCDHM C[C@H](NCc1cn(C)cn1)c1cc(Br)c(F)cc1[O-] ZINC000903352952 1260329127 /nfs/dbraw/zinc/32/91/27/1260329127.db2.gz XJFHXUAZTZYMBI-QMMMGPOBSA-N -1 3 328.185 2.878 20 10 EFCDHM [O-]c1c(F)cc(F)cc1Nc1ncnn2c(Br)ccc12 ZINC001212479540 1264303138 /nfs/dbraw/zinc/30/31/38/1264303138.db2.gz DUCMKLSLROFIGS-UHFFFAOYSA-N -1 3 341.115 2.641 20 10 EFCDHM NC(=O)COc1cccc2c1CCCN2Cc1c([O-])cccc1Cl ZINC000824932832 1278357968 /nfs/dbraw/zinc/35/79/68/1278357968.db2.gz XNZKFRUKSOLZED-UHFFFAOYSA-N -1 3 346.814 2.863 20 10 EFCDHM O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc(O)c1[O-] ZINC000186911059 1268049857 /nfs/dbraw/zinc/04/98/57/1268049857.db2.gz BOPWQUBKIRIAMD-UHFFFAOYSA-N -1 3 326.352 2.867 20 10 EFCDHM CCC[C@](C)(NCc1ccc(Br)cc1[O-])C(=O)OC ZINC000825038245 1278393341 /nfs/dbraw/zinc/39/33/41/1278393341.db2.gz VVRMXZWJXXOHIB-AWEZNQCLSA-N -1 3 330.222 2.976 20 10 EFCDHM CCC[C@@](C)(NCc1ccc(Br)cc1[O-])C(=O)OC ZINC000825038246 1278393872 /nfs/dbraw/zinc/39/38/72/1278393872.db2.gz VVRMXZWJXXOHIB-CQSZACIVSA-N -1 3 330.222 2.976 20 10 EFCDHM O=S(=O)([N-]CCCSc1nccs1)c1cccnc1Cl ZINC000738376185 1268452611 /nfs/dbraw/zinc/45/26/11/1268452611.db2.gz HHLOKYRNYVZBRD-UHFFFAOYSA-N -1 3 349.890 2.652 20 10 EFCDHM C[C@@H]1CS(=O)(=O)CCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739861411 1268766903 /nfs/dbraw/zinc/76/69/03/1268766903.db2.gz MOSHVHQCVUAQSA-GFCCVEGCSA-N -1 3 345.420 2.911 20 10 EFCDHM O=S1(=O)CCCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000742151302 1269914732 /nfs/dbraw/zinc/91/47/32/1269914732.db2.gz DWSVNYTZHRNJJH-UHFFFAOYSA-N -1 3 345.420 2.912 20 10 EFCDHM Cc1cc([O-])c(CN[C@@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000825366119 1278523109 /nfs/dbraw/zinc/52/31/09/1278523109.db2.gz SKDIHQRYMDQJBJ-CQSZACIVSA-N -1 3 337.828 2.972 20 10 EFCDHM CC(C)C(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792162120 1278573537 /nfs/dbraw/zinc/57/35/37/1278573537.db2.gz FKMVKCBSOUXTTI-UHFFFAOYSA-N -1 3 328.815 2.921 20 10 EFCDHM COc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c([O-])c1 ZINC000743719214 1270719942 /nfs/dbraw/zinc/71/99/42/1270719942.db2.gz UKGSNIVBAGMZMS-UHFFFAOYSA-N -1 3 327.380 2.915 20 10 EFCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cccc1NC(=O)N(C)C ZINC000792552587 1278847148 /nfs/dbraw/zinc/84/71/48/1278847148.db2.gz YJBVNTQLEYATRD-UHFFFAOYSA-N -1 3 329.356 2.752 20 10 EFCDHM CC1(C)CCN(Cc2c([O-])cccc2Br)CC[S@]1=O ZINC000707165831 1275373670 /nfs/dbraw/zinc/37/36/70/1275373670.db2.gz LHBCQDRODQBEPQ-LJQANCHMSA-N -1 3 346.290 2.888 20 10 EFCDHM CC(C)CN1C[C@H]2CN(Cc3cc(Cl)ccc3[O-])CCN2C1=O ZINC000787289896 1275734784 /nfs/dbraw/zinc/73/47/84/1275734784.db2.gz ZZZMUAPLFMVKAD-OAHLLOKOSA-N -1 3 337.851 2.623 20 10 EFCDHM CC(C)CN1C[C@H]2CN(Cc3c([O-])cccc3Cl)CCN2C1=O ZINC000787288896 1275734879 /nfs/dbraw/zinc/73/48/79/1275734879.db2.gz PMKZRPZRKQCVOM-CYBMUJFWSA-N -1 3 337.851 2.623 20 10 EFCDHM CC(C)CN1C[C@@H]2CN(Cc3c([O-])cccc3Cl)CCN2C1=O ZINC000787288897 1275735469 /nfs/dbraw/zinc/73/54/69/1275735469.db2.gz PMKZRPZRKQCVOM-ZDUSSCGKSA-N -1 3 337.851 2.623 20 10 EFCDHM COC(=O)CCc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000787330715 1275744502 /nfs/dbraw/zinc/74/45/02/1275744502.db2.gz QSJYXNIHXDPFCD-UHFFFAOYSA-N -1 3 329.352 2.764 20 10 EFCDHM CN1CCCC[C@@H]1c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC001170316698 1279009192 /nfs/dbraw/zinc/00/91/92/1279009192.db2.gz YXXXLBYMSOLGBG-OAHLLOKOSA-N -1 3 341.411 2.944 20 10 EFCDHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000789938503 1277102603 /nfs/dbraw/zinc/10/26/03/1277102603.db2.gz COMAVGVEOLKTGK-CYBMUJFWSA-N -1 3 348.374 2.787 20 10 EFCDHM CC(C)NC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790518730 1277625618 /nfs/dbraw/zinc/62/56/18/1277625618.db2.gz SYQHLJXKQBDVKY-UHFFFAOYSA-N -1 3 329.356 2.880 20 10 EFCDHM CCCOc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1OC ZINC000790531800 1277635664 /nfs/dbraw/zinc/63/56/64/1277635664.db2.gz XDYBSRFABBZHIK-UHFFFAOYSA-N -1 3 331.368 2.825 20 10 EFCDHM C[C@H](c1cccc(NC(=O)c2cccc(O)c2[O-])c1)N1CCOCC1 ZINC000790648904 1277718101 /nfs/dbraw/zinc/71/81/01/1277718101.db2.gz MMLCPHJLZPKKLK-CYBMUJFWSA-N -1 3 342.395 2.743 20 10 EFCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cccc1N1CCOC1=O ZINC000790823531 1277799035 /nfs/dbraw/zinc/79/90/35/1277799035.db2.gz USGFGADMZDPEGB-UHFFFAOYSA-N -1 3 328.324 2.615 20 10 EFCDHM CCOC(=O)[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306396 1279403596 /nfs/dbraw/zinc/40/35/96/1279403596.db2.gz ADLIOSWRUAAPOG-VIFPVBQESA-N -1 3 346.196 2.679 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CCc2nccn2CC1 ZINC001144306669 1279404161 /nfs/dbraw/zinc/40/41/61/1279404161.db2.gz LNTLWXUDSHHKEF-UHFFFAOYSA-N -1 3 340.196 2.549 20 10 EFCDHM COCC(C)(C)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000822498012 1289015431 /nfs/dbraw/zinc/01/54/31/1289015431.db2.gz SKYQELNUJZBTRM-UHFFFAOYSA-N -1 3 330.831 2.727 20 10 EFCDHM C[C@H](NCc1cnnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000806659795 1281115398 /nfs/dbraw/zinc/11/53/98/1281115398.db2.gz FQAHRQTXYLXVSG-ZETCQYMHSA-N -1 3 345.628 2.787 20 10 EFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCN1C1CC1 ZINC000807835822 1281446071 /nfs/dbraw/zinc/44/60/71/1281446071.db2.gz APGBEGHGQFMCJQ-CYBMUJFWSA-N -1 3 329.227 2.942 20 10 EFCDHM O=C(Nc1cccn2c(Br)cnc12)c1cccc(O)c1[O-] ZINC001148212921 1281453739 /nfs/dbraw/zinc/45/37/39/1281453739.db2.gz OMYZYXBOLZWBBG-UHFFFAOYSA-N -1 3 348.156 2.760 20 10 EFCDHM O=C(Nc1ccc(OC2CCOCC2)cc1)c1cccc(O)c1[O-] ZINC001148218553 1281456917 /nfs/dbraw/zinc/45/69/17/1281456917.db2.gz FCYPQHAHLBAGIL-UHFFFAOYSA-N -1 3 329.352 2.908 20 10 EFCDHM Cc1cn(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2F)cn1 ZINC001148219420 1281456966 /nfs/dbraw/zinc/45/69/66/1281456966.db2.gz ZQBJFBKNDLNPKL-UHFFFAOYSA-N -1 3 327.315 2.983 20 10 EFCDHM CCOC(=O)c1ccc(OCC)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148218931 1281457260 /nfs/dbraw/zinc/45/72/60/1281457260.db2.gz OOGMUMFGNHOUOH-UHFFFAOYSA-N -1 3 345.351 2.926 20 10 EFCDHM Cc1ccc([C@@]2(C)CN(C(=O)c3cccc(O)c3[O-])CCO2)cc1 ZINC001148218795 1281457547 /nfs/dbraw/zinc/45/75/47/1281457547.db2.gz LKXCCXRNSOCVAF-LJQANCHMSA-N -1 3 327.380 2.794 20 10 EFCDHM Cc1ccccc1-c1cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(C)n1 ZINC001148582876 1281661302 /nfs/dbraw/zinc/66/13/02/1281661302.db2.gz ORKCNKHLAFHFAU-UHFFFAOYSA-N -1 3 339.351 2.765 20 10 EFCDHM C[C@@H](NCc1nnnn1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595346 1287622924 /nfs/dbraw/zinc/62/29/24/1287622924.db2.gz OOEOVMZZIPVUTM-MRVPVSSYSA-N -1 3 327.310 2.583 20 10 EFCDHM Cc1nnsc1CNCc1cc(Br)cc(F)c1[O-] ZINC000715802863 1284367325 /nfs/dbraw/zinc/36/73/25/1284367325.db2.gz CQWZHRJDPTWFOW-UHFFFAOYSA-N -1 3 332.198 2.744 20 10 EFCDHM [O-]c1ccc(F)cc1CN1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000822503360 1289018006 /nfs/dbraw/zinc/01/80/06/1289018006.db2.gz GUURKWXURHWHNG-GASCZTMLSA-N -1 3 337.297 2.834 20 10 EFCDHM CCCN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000816481777 1288154240 /nfs/dbraw/zinc/15/42/40/1288154240.db2.gz IPGMDAMDVIVBHL-LLVKDONJSA-N -1 3 335.828 2.584 20 10 EFCDHM COC(=O)COc1ccc(N(C)Cc2c(F)ccc([O-])c2F)cc1 ZINC000816568180 1288211583 /nfs/dbraw/zinc/21/15/83/1288211583.db2.gz ZKYSULZUTFASRP-UHFFFAOYSA-N -1 3 337.322 2.859 20 10 EFCDHM CC(C)(C)C(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000817088396 1288416347 /nfs/dbraw/zinc/41/63/47/1288416347.db2.gz ZLRWMBVBWBFTFA-UHFFFAOYSA-N -1 3 342.461 2.566 20 10 EFCDHM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC000817624761 1288672401 /nfs/dbraw/zinc/67/24/01/1288672401.db2.gz DOIBZBZCHBOQGQ-NEPJUHHUSA-N -1 3 335.400 2.680 20 10 EFCDHM CC1(C)OC(=O)C[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182756264 1290244593 /nfs/dbraw/zinc/24/45/93/1290244593.db2.gz ILGCDGKHDYUNTJ-LLVKDONJSA-N -1 3 348.786 2.552 20 10 EFCDHM CC1(C)OC(=O)C[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182756265 1290244850 /nfs/dbraw/zinc/24/48/50/1290244850.db2.gz ILGCDGKHDYUNTJ-NSHDSACASA-N -1 3 348.786 2.552 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1[n-]c(=O)ccc1Cl ZINC001184807340 1290513443 /nfs/dbraw/zinc/51/34/43/1290513443.db2.gz DSMHKCSMNXMAGQ-UHFFFAOYSA-N -1 3 333.819 2.595 20 10 EFCDHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000825849428 1290812469 /nfs/dbraw/zinc/81/24/69/1290812469.db2.gz HFBWKLXPZCPVJN-AWEZNQCLSA-N -1 3 344.386 2.631 20 10 EFCDHM COc1nc(C)cc(C)c1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775001541 1290931198 /nfs/dbraw/zinc/93/11/98/1290931198.db2.gz AQSXQUGNHOCMHC-UHFFFAOYSA-N -1 3 347.371 2.619 20 10 EFCDHM CC1(C)CN(Cc2ccc(I)cc2[O-])CCO1 ZINC001232974422 1312823399 /nfs/dbraw/zinc/82/33/99/1312823399.db2.gz NSBBAGWQYVQAEG-UHFFFAOYSA-N -1 3 347.196 2.608 20 10 EFCDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])C[C@H](C)O1 ZINC001232974086 1312823516 /nfs/dbraw/zinc/82/35/16/1312823516.db2.gz HWVFLCXGNBRWMZ-AOOOYVTPSA-N -1 3 347.196 2.606 20 10 EFCDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])CCCO1 ZINC001232975076 1312824168 /nfs/dbraw/zinc/82/41/68/1312824168.db2.gz WDEPXODPSWYZRB-SNVBAGLBSA-N -1 3 347.196 2.608 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@@H](C)S1(=O)=O ZINC000825900311 1291008216 /nfs/dbraw/zinc/00/82/16/1291008216.db2.gz KWKMUAZPJGRVQM-DGCLKSJQSA-N -1 3 331.865 2.752 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCN2CC(F)(F)C[C@H]2C1 ZINC001203645841 1291018794 /nfs/dbraw/zinc/01/87/94/1291018794.db2.gz UEMSHUABBQNQCM-LBPRGKRZSA-N -1 3 347.203 2.680 20 10 EFCDHM COC(=O)CN(Cc1cccc(O)c1)Cc1cc(Cl)ccc1[O-] ZINC000093277132 1291096877 /nfs/dbraw/zinc/09/68/77/1291096877.db2.gz FAFMPUYYFARHHN-UHFFFAOYSA-N -1 3 335.787 2.926 20 10 EFCDHM CCOC(=O)CCN(C)Cc1c([O-])cc(Br)cc1F ZINC001233031560 1312837038 /nfs/dbraw/zinc/83/70/38/1312837038.db2.gz GUQZQPFWQNEOFP-UHFFFAOYSA-N -1 3 334.185 2.679 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001203664790 1291205120 /nfs/dbraw/zinc/20/51/20/1291205120.db2.gz WEISQKUVPSTHMJ-UHFFFAOYSA-N -1 3 339.226 2.811 20 10 EFCDHM COc1ccc(O[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233079650 1312851173 /nfs/dbraw/zinc/85/11/73/1312851173.db2.gz IVFHDJIUPYOJOW-ZDUSSCGKSA-N -1 3 336.338 2.727 20 10 EFCDHM COc1ccc(O[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233079649 1312851281 /nfs/dbraw/zinc/85/12/81/1312851281.db2.gz IVFHDJIUPYOJOW-CYBMUJFWSA-N -1 3 336.338 2.727 20 10 EFCDHM Cc1cncnc1O[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079811 1312851304 /nfs/dbraw/zinc/85/13/04/1312851304.db2.gz LDGIMJWSSZMRDF-CYBMUJFWSA-N -1 3 335.354 2.812 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@H](C)C2)cc1Br ZINC001233135190 1312863008 /nfs/dbraw/zinc/86/30/08/1312863008.db2.gz OEOMLDUMXWEKIF-SECBINFHSA-N -1 3 328.206 2.574 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC001233135421 1312863562 /nfs/dbraw/zinc/86/35/62/1312863562.db2.gz SMHWHNRMYKWHSR-NXEZZACHSA-N -1 3 330.222 2.773 20 10 EFCDHM COc1cc([O-])c(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc1Br ZINC001233138405 1312864204 /nfs/dbraw/zinc/86/42/04/1312864204.db2.gz ZCYUUHSOBWZYMX-PHIMTYICSA-N -1 3 340.217 2.859 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2ccno2)cc1Br ZINC001233140994 1312865012 /nfs/dbraw/zinc/86/50/12/1312865012.db2.gz BFRWJQCYZLKFDT-UHFFFAOYSA-N -1 3 327.178 2.783 20 10 EFCDHM COc1cc([O-])c(CN2CCOCC23CC3)cc1Br ZINC001233141092 1312865083 /nfs/dbraw/zinc/86/50/83/1312865083.db2.gz DXLSNQVSAODMDX-UHFFFAOYSA-N -1 3 328.206 2.528 20 10 EFCDHM COc1cc([O-])c(CN2CCC(C(C)=O)CC2)cc1Br ZINC001233140894 1312865124 /nfs/dbraw/zinc/86/51/24/1312865124.db2.gz WTAWLIOENFQNKQ-UHFFFAOYSA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2ccncn2)cc1Br ZINC001233142914 1312865949 /nfs/dbraw/zinc/86/59/49/1312865949.db2.gz RBLLCSSACCUYTP-UHFFFAOYSA-N -1 3 338.205 2.585 20 10 EFCDHM Cc1cc([O-])c(CN2CCCC[C@H]2CS(C)(=O)=O)cc1Cl ZINC000826064982 1291753739 /nfs/dbraw/zinc/75/37/39/1291753739.db2.gz SBFIFBLGXNSDSZ-ZDUSSCGKSA-N -1 3 331.865 2.753 20 10 EFCDHM COC(=O)[C@H](Cc1ccccc1)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000878862729 1291831885 /nfs/dbraw/zinc/83/18/85/1291831885.db2.gz REYISOBSDUPCGF-KRWDZBQOSA-N -1 3 345.370 2.608 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001233334811 1312905762 /nfs/dbraw/zinc/90/57/62/1312905762.db2.gz URCBNYWBMOVXIH-UGSOOPFHSA-N -1 3 339.382 2.830 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001233334808 1312906755 /nfs/dbraw/zinc/90/67/55/1312906755.db2.gz URCBNYWBMOVXIH-ACJLOTCBSA-N -1 3 339.382 2.830 20 10 EFCDHM COc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1[O-] ZINC000775408592 1292297131 /nfs/dbraw/zinc/29/71/31/1292297131.db2.gz AEJNYBMCBWMYAS-GFCCVEGCSA-N -1 3 344.411 2.966 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(CC(F)(F)F)[C@H](C)C2)c1[O-] ZINC000128287994 1292420854 /nfs/dbraw/zinc/42/08/54/1292420854.db2.gz KZSUVTKSRVYSKV-SNVBAGLBSA-N -1 3 348.340 2.802 20 10 EFCDHM [O-]c1c(CN2CCN(c3cnccn3)CC2)cccc1C(F)(F)F ZINC001233415910 1312927721 /nfs/dbraw/zinc/92/77/21/1312927721.db2.gz NXWNGTMMBYCGBC-UHFFFAOYSA-N -1 3 338.333 2.523 20 10 EFCDHM [O-]c1c(CN2CC[C@@](O)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415975 1312927747 /nfs/dbraw/zinc/92/77/47/1312927747.db2.gz QIWINEYRGIYDEW-NSHDSACASA-N -1 3 329.240 2.910 20 10 EFCDHM [O-]c1c(CN2CC[C@H](Oc3cnccn3)C2)cccc1C(F)(F)F ZINC001233419564 1312928817 /nfs/dbraw/zinc/92/88/17/1312928817.db2.gz DJEPQANQYSZVBZ-LBPRGKRZSA-N -1 3 339.317 2.854 20 10 EFCDHM [O-]c1c(CN2CC[C@@H](Oc3cnccn3)C2)cccc1C(F)(F)F ZINC001233419563 1312928980 /nfs/dbraw/zinc/92/89/80/1312928980.db2.gz DJEPQANQYSZVBZ-GFCCVEGCSA-N -1 3 339.317 2.854 20 10 EFCDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454218 1312935184 /nfs/dbraw/zinc/93/51/84/1312935184.db2.gz LVGITYJTXSOVCZ-AWEZNQCLSA-N -1 3 345.317 2.508 20 10 EFCDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454219 1312935200 /nfs/dbraw/zinc/93/52/00/1312935200.db2.gz LVGITYJTXSOVCZ-CQSZACIVSA-N -1 3 345.317 2.508 20 10 EFCDHM O=C(C1CCC1)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454913 1312935460 /nfs/dbraw/zinc/93/54/60/1312935460.db2.gz OHQSPAWUHGKRCA-UHFFFAOYSA-N -1 3 342.361 2.855 20 10 EFCDHM COC(=O)CC[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233456204 1312936432 /nfs/dbraw/zinc/93/64/32/1312936432.db2.gz OEUHZEBIALIJSR-ZDUSSCGKSA-N -1 3 347.333 2.565 20 10 EFCDHM COC(=O)[C@H](C(C)C)N(C)Cc1cc(Br)ccc1[O-] ZINC001203650010 1312980613 /nfs/dbraw/zinc/98/06/13/1312980613.db2.gz LHFVBRMQRVDORG-ZDUSSCGKSA-N -1 3 330.222 2.784 20 10 EFCDHM CCOC(=O)c1cnc2n1CCN(Cc1cc(Cl)ccc1[O-])[C@@H]2C ZINC001203664471 1312984131 /nfs/dbraw/zinc/98/41/31/1312984131.db2.gz GKKCHKHAFLMUPJ-LLVKDONJSA-N -1 3 349.818 2.996 20 10 EFCDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c1 ZINC001193427147 1293304480 /nfs/dbraw/zinc/30/44/80/1293304480.db2.gz FFWSSGORZBAXPP-UHFFFAOYSA-N -1 3 349.408 2.905 20 10 EFCDHM COc1cc(OC)c(OC)cc1CNCc1cc(F)cc(F)c1[O-] ZINC000882880358 1293366480 /nfs/dbraw/zinc/36/64/80/1293366480.db2.gz NPZZDOPYEMGIGY-UHFFFAOYSA-N -1 3 339.338 2.986 20 10 EFCDHM CN(C)C(=O)C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882919869 1293384283 /nfs/dbraw/zinc/38/42/83/1293384283.db2.gz UTDRTRHRNZIWRK-MRXNPFEDSA-N -1 3 334.366 2.980 20 10 EFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cccc2C)ccc1O ZINC001194633596 1293680476 /nfs/dbraw/zinc/68/04/76/1293680476.db2.gz APDJMRXHEAXVHX-UHFFFAOYSA-N -1 3 335.381 2.596 20 10 EFCDHM Cc1cn(C)nc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001194842231 1293736010 /nfs/dbraw/zinc/73/60/10/1293736010.db2.gz RPXDOZLXHZAIRP-UHFFFAOYSA-N -1 3 330.775 2.566 20 10 EFCDHM Cc1cnn(C)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001195522464 1293952358 /nfs/dbraw/zinc/95/23/58/1293952358.db2.gz UWKPCGBOOGJMIU-UHFFFAOYSA-N -1 3 330.775 2.566 20 10 EFCDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000775717074 1294229647 /nfs/dbraw/zinc/22/96/47/1294229647.db2.gz QZHXWDSCVGQTAE-ZIAGYGMSSA-N -1 3 349.855 2.972 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1O ZINC000136493119 1294642654 /nfs/dbraw/zinc/64/26/54/1294642654.db2.gz GYHPCAXAEXDRSG-UHFFFAOYSA-N -1 3 331.349 2.608 20 10 EFCDHM C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1c([O-])cccc1F ZINC000886596576 1295043304 /nfs/dbraw/zinc/04/33/04/1295043304.db2.gz IWXTUPDINURJOO-VIFPVBQESA-N -1 3 329.418 2.847 20 10 EFCDHM [O-]c1cccnc1CNC(=S)Nc1c(F)c(F)c(F)c(F)c1F ZINC001198929921 1295337899 /nfs/dbraw/zinc/33/78/99/1295337899.db2.gz XDGLTLZZONRBOM-UHFFFAOYSA-N -1 3 349.284 2.969 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])CC[C@@H]1O ZINC001235056833 1313232609 /nfs/dbraw/zinc/23/26/09/1313232609.db2.gz JDTPACIKZIITSC-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@H]1CC[C@@H](CO)CN1Cc1cc(Br)cc(F)c1[O-] ZINC001235057494 1313233988 /nfs/dbraw/zinc/23/39/88/1313233988.db2.gz PICXYYCFUCLDCH-VHSXEESVSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCN(CC2CC2)CC1 ZINC001235066001 1313234283 /nfs/dbraw/zinc/23/42/83/1313234283.db2.gz TWYGXKNBNDLYCL-UHFFFAOYSA-N -1 3 343.240 2.821 20 10 EFCDHM CC(C)N1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235293996 1313283997 /nfs/dbraw/zinc/28/39/97/1313283997.db2.gz DQYGQSZJNWJZEF-UHFFFAOYSA-N -1 3 331.229 2.820 20 10 EFCDHM C[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@@]1(C)O ZINC001235295811 1313284116 /nfs/dbraw/zinc/28/41/16/1313284116.db2.gz FWBNMWOIDZDVIB-YMTOWFKASA-N -1 3 332.213 2.887 20 10 EFCDHM CC[C@@H]1C(=O)NCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000106855672 1297583890 /nfs/dbraw/zinc/58/38/90/1297583890.db2.gz IBMSCYZFDMDAQI-CQSZACIVSA-N -1 3 328.412 2.728 20 10 EFCDHM N#Cc1ccccc1CSCCNC(=O)c1cccc(O)c1[O-] ZINC000192896393 1298384135 /nfs/dbraw/zinc/38/41/35/1298384135.db2.gz XCOWLHXMFQHVGL-UHFFFAOYSA-N -1 3 328.393 2.633 20 10 EFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC2(C[C@@H](O)CO2)CC1 ZINC001236792632 1313530089 /nfs/dbraw/zinc/53/00/89/1313530089.db2.gz GFBSFMKNWONYRJ-LLVKDONJSA-N -1 3 332.227 2.815 20 10 EFCDHM O=C1NC2(CO1)CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236798173 1313531085 /nfs/dbraw/zinc/53/10/85/1313531085.db2.gz HRVWSLFPVQFHDF-UHFFFAOYSA-N -1 3 331.199 2.773 20 10 EFCDHM O=C1NCC2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)O1 ZINC001236798152 1313531444 /nfs/dbraw/zinc/53/14/44/1313531444.db2.gz HNNGBEDUGGRRBF-UHFFFAOYSA-N -1 3 331.199 2.773 20 10 EFCDHM COc1cc([O-])c(CN2CC(N3CCC(F)(F)CC3)C2)c(Cl)c1 ZINC001236803541 1313532088 /nfs/dbraw/zinc/53/20/88/1313532088.db2.gz OUIKIFVTONRNDM-UHFFFAOYSA-N -1 3 346.805 2.970 20 10 EFCDHM COc1cc([O-])c(CN2CC(N3CCC(F)(F)C3)C2)c(Cl)c1 ZINC001236803386 1313532180 /nfs/dbraw/zinc/53/21/80/1313532180.db2.gz NFQUTWUYQZANBQ-UHFFFAOYSA-N -1 3 332.778 2.579 20 10 EFCDHM COc1cc([O-])c(CN2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1 ZINC001236808604 1313533810 /nfs/dbraw/zinc/53/38/10/1313533810.db2.gz PEOVQYZLOBZJRH-UHFFFAOYSA-N -1 3 340.851 2.745 20 10 EFCDHM COc1ccc(CN2CC[C@@H](Oc3ncncc3C)C2)c([O-])c1Cl ZINC001236809754 1313534108 /nfs/dbraw/zinc/53/41/08/1313534108.db2.gz OEAKLRBELGLTTM-CYBMUJFWSA-N -1 3 349.818 2.806 20 10 EFCDHM COc1ccc(CN2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1Cl ZINC001236810698 1313534384 /nfs/dbraw/zinc/53/43/84/1313534384.db2.gz XQFJMCTUNLUHOU-MRXNPFEDSA-N -1 3 325.792 2.726 20 10 EFCDHM COC(=O)C1(C)CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236808515 1313534441 /nfs/dbraw/zinc/53/44/41/1313534441.db2.gz CKYXUQQQOAWVOU-UHFFFAOYSA-N -1 3 327.808 2.829 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@]23CCOC3)c(Br)c1 ZINC001237068230 1313580934 /nfs/dbraw/zinc/58/09/34/1313580934.db2.gz NTWFEJYPCYZKGD-CQSZACIVSA-N -1 3 328.206 2.528 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)[C@H](C)CC2)c(Br)c1 ZINC001237066039 1313580951 /nfs/dbraw/zinc/58/09/51/1313580951.db2.gz SQDMZKHKMWSFPL-SNVBAGLBSA-N -1 3 342.233 2.964 20 10 EFCDHM COc1cc([O-])c(CN2CC(OC(C)C)C2)c(Br)c1 ZINC001237070267 1313581796 /nfs/dbraw/zinc/58/17/96/1313581796.db2.gz LUZMUVXEVRNXJP-UHFFFAOYSA-N -1 3 330.222 2.773 20 10 EFCDHM CCN(CCN1CCOCC1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237083275 1313583787 /nfs/dbraw/zinc/58/37/87/1313583787.db2.gz AZEFFXMXFVGHQT-UHFFFAOYSA-N -1 3 333.259 2.853 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2cnn(C)c2)c(Br)c1 ZINC001237062156 1313579394 /nfs/dbraw/zinc/57/93/94/1313579394.db2.gz KSGVPTZTULHEKO-UHFFFAOYSA-N -1 3 340.221 2.529 20 10 EFCDHM COc1cc([O-])c(CN2CCOC(C)(C)C2)c(Br)c1 ZINC001237061482 1313579563 /nfs/dbraw/zinc/57/95/63/1313579563.db2.gz GLCCNTNJKGIXQX-UHFFFAOYSA-N -1 3 330.222 2.774 20 10 EFCDHM O=C1CCC[C@@]2(CCCN(Cc3c([O-])ccc(F)c3Cl)C2)N1 ZINC001237120252 1313589813 /nfs/dbraw/zinc/58/98/13/1313589813.db2.gz AEVRLXXEWLBPAS-INIZCTEOSA-N -1 3 326.799 2.819 20 10 EFCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001237123347 1313590473 /nfs/dbraw/zinc/59/04/73/1313590473.db2.gz CZYKVUUMFVQBAK-JGGQBBKZSA-N -1 3 341.810 2.811 20 10 EFCDHM CC(C)NC(=O)N[C@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125239 1313591343 /nfs/dbraw/zinc/59/13/43/1313591343.db2.gz BFZWTWQPDPTACC-NSHDSACASA-N -1 3 343.830 2.857 20 10 EFCDHM COc1ccc(N2CCN(Cc3sc(=O)[n-]c3Cl)CC2)cc1 ZINC001237156454 1313595109 /nfs/dbraw/zinc/59/51/09/1313595109.db2.gz CMUWOBDPHOUZOK-UHFFFAOYSA-N -1 3 339.848 2.833 20 10 EFCDHM CCOC(=O)/C=C\c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776616196 1299787657 /nfs/dbraw/zinc/78/76/57/1299787657.db2.gz PEAPPHJKNUAWTG-FLIBITNWSA-N -1 3 327.336 2.926 20 10 EFCDHM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000776636887 1299976709 /nfs/dbraw/zinc/97/67/09/1299976709.db2.gz LIDHGSWJPOPPJL-JKSUJKDBSA-N -1 3 331.343 2.887 20 10 EFCDHM Cc1cnc(O[C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC001237624623 1313678746 /nfs/dbraw/zinc/67/87/46/1313678746.db2.gz WUPNDYNNONPJEC-CYBMUJFWSA-N -1 3 337.782 2.936 20 10 EFCDHM Cc1cncnc1O[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237624467 1313679378 /nfs/dbraw/zinc/67/93/78/1313679378.db2.gz UVVNBZWFLVYXQM-CYBMUJFWSA-N -1 3 337.782 2.936 20 10 EFCDHM Cc1cc([O-])c(CN2CCC(=O)[C@@H](F)CC2)cc1Br ZINC001237678484 1313689603 /nfs/dbraw/zinc/68/96/03/1313689603.db2.gz ZTRJUBFFEXUPJN-LBPRGKRZSA-N -1 3 330.197 2.966 20 10 EFCDHM Cc1cc([O-])c(CN2CC[C@@H](O)C(F)(F)C2)cc1Br ZINC001237680337 1313690039 /nfs/dbraw/zinc/69/00/39/1313690039.db2.gz BPFDGAIOZRMOFP-GFCCVEGCSA-N -1 3 336.176 2.665 20 10 EFCDHM Cc1cc([O-])c(CN2CCC(=O)C(F)(F)C2)cc1Br ZINC001237683389 1313691020 /nfs/dbraw/zinc/69/10/20/1313691020.db2.gz YZSBHNMPFMDVAT-UHFFFAOYSA-N -1 3 334.160 2.873 20 10 EFCDHM Cc1cc([O-])c(CN2C[C@H](CO)C[C@H](F)C2)cc1Br ZINC001237675750 1313689282 /nfs/dbraw/zinc/68/92/82/1313689282.db2.gz AJGDQCHFXHMHCW-PWSUYJOCSA-N -1 3 332.213 2.615 20 10 EFCDHM [O-]c1c(I)cccc1CN1CC2(CCC2)C1 ZINC001237775031 1313704130 /nfs/dbraw/zinc/70/41/30/1313704130.db2.gz BOTVVJKCAAXNRK-UHFFFAOYSA-N -1 3 329.181 2.983 20 10 EFCDHM C[C@H]1CN(Cc2cccc(I)c2[O-])CCCO1 ZINC001237777134 1313704205 /nfs/dbraw/zinc/70/42/05/1313704205.db2.gz NDJPQJVFNJFHRF-JTQLQIEISA-N -1 3 347.196 2.608 20 10 EFCDHM COc1ccc(C[N-]S(=O)(=O)c2ccccc2SC)c(O)c1 ZINC000795358764 1300846402 /nfs/dbraw/zinc/84/64/02/1300846402.db2.gz WERYYPURPQRFRY-UHFFFAOYSA-N -1 3 339.438 2.601 20 10 EFCDHM CN1C(=O)CCC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237940413 1313733775 /nfs/dbraw/zinc/73/37/75/1313733775.db2.gz KBGSSFQKUNMFMV-UHFFFAOYSA-N -1 3 326.799 2.772 20 10 EFCDHM [O-]c1cc(Cl)c(F)cc1CN1CCN(CCc2ccccn2)CC1 ZINC001237935878 1313734122 /nfs/dbraw/zinc/73/41/22/1313734122.db2.gz FRGPSYZOJRHULH-UHFFFAOYSA-N -1 3 349.837 2.940 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)CCC(C)C ZINC000796448312 1301642601 /nfs/dbraw/zinc/64/26/01/1301642601.db2.gz IKFXOKGSZXAQKG-HNNXBMFYSA-N -1 3 343.851 2.818 20 10 EFCDHM C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cccc(Br)c1[O-] ZINC000777219483 1302200023 /nfs/dbraw/zinc/20/00/23/1302200023.db2.gz KQLYKJMMLNCSIZ-JTQLQIEISA-N -1 3 343.265 2.890 20 10 EFCDHM C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cccc(Br)c1[O-] ZINC000777219484 1302201198 /nfs/dbraw/zinc/20/11/98/1302201198.db2.gz KQLYKJMMLNCSIZ-SNVBAGLBSA-N -1 3 343.265 2.890 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCN(c2ccccn2)CC1 ZINC000862211653 1302306834 /nfs/dbraw/zinc/30/68/34/1302306834.db2.gz KVLHQYWUTINMBS-UHFFFAOYSA-N -1 3 348.244 2.872 20 10 EFCDHM COC(=O)CN(Cc1nc(C)c(C)[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000862240978 1302320326 /nfs/dbraw/zinc/32/03/26/1302320326.db2.gz VTHZVMGXTQXGPM-UHFFFAOYSA-N -1 3 337.807 2.561 20 10 EFCDHM CCOC(=O)[C@@H](CC1CC1)NCc1c([O-])cccc1Br ZINC000862316105 1302332923 /nfs/dbraw/zinc/33/29/23/1302332923.db2.gz LCVWFBIZJTUDRK-CYBMUJFWSA-N -1 3 342.233 2.976 20 10 EFCDHM CCCN1CCCN(Cc2c([O-])cccc2Br)CC1=O ZINC000862339432 1302339101 /nfs/dbraw/zinc/33/91/01/1302339101.db2.gz UFTCWMULXOFALP-UHFFFAOYSA-N -1 3 341.249 2.599 20 10 EFCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@]2(CCOC2)O1 ZINC000862351788 1302342013 /nfs/dbraw/zinc/34/20/13/1302342013.db2.gz UXLKLSLTZORHTQ-IAQYHMDHSA-N -1 3 342.233 2.535 20 10 EFCDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CC(C)(C)OC1=O ZINC000862375754 1302354626 /nfs/dbraw/zinc/35/46/26/1302354626.db2.gz CBXBXOUGGFINKS-LLVKDONJSA-N -1 3 328.206 2.681 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CNC[C@H](n1cncn1)C(F)(F)F ZINC000865683374 1303365228 /nfs/dbraw/zinc/36/52/28/1303365228.db2.gz XNBPSNPPFWIPAX-JTQLQIEISA-N -1 3 338.692 2.669 20 10 EFCDHM Cc1nocc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000866763806 1303783369 /nfs/dbraw/zinc/78/33/69/1303783369.db2.gz IQHNAENUCRMHHT-AWEZNQCLSA-N -1 3 349.818 2.736 20 10 EFCDHM O=C(Nc1cccc(N2CCCC2)c1)c1cc(F)cc2n[n-]nc21 ZINC000800435895 1307838219 /nfs/dbraw/zinc/83/82/19/1307838219.db2.gz XUUIUHWDCMHSOV-UHFFFAOYSA-N -1 3 325.347 2.950 20 10 EFCDHM Cc1cc([O-])c(CN2CC3(CCN3Cc3cn[nH]c3)C2)cc1Cl ZINC001276372347 1314252348 /nfs/dbraw/zinc/25/23/48/1314252348.db2.gz QGZIURHBJSNKEN-UHFFFAOYSA-N -1 3 332.835 2.537 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1[O-] ZINC000750837368 1311096914 /nfs/dbraw/zinc/09/69/14/1311096914.db2.gz JYTIVZMJRJJFJI-ISVAXAHUSA-N -1 3 335.297 2.886 20 10 EFCDHM C[C@@H]1COCC[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385308 1311659885 /nfs/dbraw/zinc/65/98/85/1311659885.db2.gz PWZXWXYYZDXWAK-ABAIWWIYSA-N -1 3 338.359 2.971 20 10 EFCDHM C[C@H]1COCC[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385320 1311660130 /nfs/dbraw/zinc/66/01/30/1311660130.db2.gz PWZXWXYYZDXWAK-NHYWBVRUSA-N -1 3 338.359 2.971 20 10 EFCDHM COC(=O)C[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938632 1311876399 /nfs/dbraw/zinc/87/63/99/1311876399.db2.gz XJSSYRJNXLCAAW-LLVKDONJSA-N -1 3 330.336 2.659 20 10 EFCDHM C[C@H]1OCC[C@H]1COc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229187401 1312058646 /nfs/dbraw/zinc/05/86/46/1312058646.db2.gz ZXNCPAQDTNOIJC-NEPJUHHUSA-N -1 3 338.359 2.971 20 10 EFCDHM CC(C)N1CC(Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229186987 1312058777 /nfs/dbraw/zinc/05/87/77/1312058777.db2.gz SHUGABLWRFSCQG-UHFFFAOYSA-N -1 3 337.375 2.639 20 10 EFCDHM CCO[C@@H](C)COc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192933 1312060001 /nfs/dbraw/zinc/06/00/01/1312060001.db2.gz YDIAXLQOBURIPB-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM O=C(N1CCCC12CC2)[C@]12C[C@H]1CCN2Cc1c([O-])cccc1F ZINC001277489204 1312439490 /nfs/dbraw/zinc/43/94/90/1312439490.db2.gz NJBDTNJYJIUBMZ-YJYMSZOUSA-N -1 3 330.403 2.651 20 10 EFCDHM CN1CCN(Cc2ccc(C(=O)[O-])cc2O)[C@@H](c2ccccc2)C1 ZINC001231446713 1312499160 /nfs/dbraw/zinc/49/91/60/1312499160.db2.gz LCZHTZCLEUEGJC-QGZVFWFLSA-N -1 3 326.396 2.579 20 10 EFCDHM CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231446312 1312499377 /nfs/dbraw/zinc/49/93/77/1312499377.db2.gz GTEHFZGVMDTQGB-CYBMUJFWSA-N -1 3 337.372 2.616 20 10 EFCDHM COc1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2O)c1OC ZINC001231454138 1312501348 /nfs/dbraw/zinc/50/13/48/1312501348.db2.gz OKDFSLZHIUUJBO-UHFFFAOYSA-N -1 3 331.368 2.740 20 10 EFCDHM CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453584 1312501431 /nfs/dbraw/zinc/50/14/31/1312501431.db2.gz IQWITIQWTLBYNG-CQSZACIVSA-N -1 3 335.400 2.787 20 10 EFCDHM CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453584 1312501434 /nfs/dbraw/zinc/50/14/34/1312501434.db2.gz IQWITIQWTLBYNG-CQSZACIVSA-N -1 3 335.400 2.787 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c([O-])c1 ZINC001231452899 1312501488 /nfs/dbraw/zinc/50/14/88/1312501488.db2.gz HKVPDHDQVICUBM-IRXDYDNUSA-N -1 3 338.407 2.659 20 10 EFCDHM CCOC(=O)C1(CC)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231454357 1312501699 /nfs/dbraw/zinc/50/16/99/1312501699.db2.gz QJGQSAWHXSFVRR-UHFFFAOYSA-N -1 3 335.400 2.646 20 10 EFCDHM CCOC(=O)c1cnc2n1CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231870211 1312578349 /nfs/dbraw/zinc/57/83/49/1312578349.db2.gz NWZVUSTYLZRWDK-UHFFFAOYSA-N -1 3 349.818 2.743 20 10 EFCDHM COC(=O)CC[C@@H]1COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231871994 1312578702 /nfs/dbraw/zinc/57/87/02/1312578702.db2.gz UUIKPMDRZKJEDZ-CYBMUJFWSA-N -1 3 327.808 2.508 20 10 EFCDHM [O-]c1c(Cl)cccc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001231910870 1312586187 /nfs/dbraw/zinc/58/61/87/1312586187.db2.gz XYAFXMUMEMZHGD-UHFFFAOYSA-N -1 3 346.862 2.854 20 10 EFCDHM CCN(C)C(=O)CO[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913046 1312587339 /nfs/dbraw/zinc/58/73/39/1312587339.db2.gz DGKVZKGTWAZQOO-AWEZNQCLSA-N -1 3 340.851 2.505 20 10 EFCDHM Cc1ccc2c(n1)N(C)CCN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232259587 1312659953 /nfs/dbraw/zinc/65/99/53/1312659953.db2.gz FQSOMBWJOWPHRV-UHFFFAOYSA-N -1 3 333.819 2.907 20 10 EFCDHM O=C(c1ccccc1)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232261349 1312661042 /nfs/dbraw/zinc/66/10/42/1312661042.db2.gz ZGDXZFVERMIRRJ-UHFFFAOYSA-N -1 3 346.814 2.709 20 10 EFCDHM CN(CC(=O)OCc1ccccc1)Cc1cc(Cl)c([O-])cc1O ZINC001232263582 1312661292 /nfs/dbraw/zinc/66/12/92/1312661292.db2.gz AZWJASIHNVUMNE-UHFFFAOYSA-N -1 3 335.787 2.926 20 10 EFCDHM CC(C)(C)OC(=O)NC1(C)CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232264415 1312661766 /nfs/dbraw/zinc/66/17/66/1312661766.db2.gz BILHMKIPBXLBDX-UHFFFAOYSA-N -1 3 342.823 2.850 20 10 EFCDHM COc1cc([O-])c(CN2CCC(O)(C(F)(F)F)CC2)cc1Cl ZINC001232263933 1312662403 /nfs/dbraw/zinc/66/24/03/1312662403.db2.gz BRBJQSPBFKGYGD-UHFFFAOYSA-N -1 3 339.741 2.943 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)cc1Cl ZINC001232267821 1312663055 /nfs/dbraw/zinc/66/30/55/1312663055.db2.gz HCYYCMIRDGIKCE-GMOODISLSA-N -1 3 337.725 2.958 20 10 EFCDHM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269005 1312663070 /nfs/dbraw/zinc/66/30/70/1312663070.db2.gz YKGRIBKXJKYHLI-MEDUHNTESA-N -1 3 325.792 2.582 20 10 EFCDHM COc1cc([O-])c(CN2CCO[C@@H](C(F)(F)F)C2)cc1Cl ZINC001232269699 1312663140 /nfs/dbraw/zinc/66/31/40/1312663140.db2.gz HWYAZPUSPKPYIW-GFCCVEGCSA-N -1 3 325.714 2.817 20 10 EFCDHM COc1cc(F)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1F ZINC001215325355 1314815528 /nfs/dbraw/zinc/81/55/28/1314815528.db2.gz OCVHMMUJLCAFKZ-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(-n4ccnc4)cc3)no2)cc1O ZINC001215327691 1314816294 /nfs/dbraw/zinc/81/62/94/1314816294.db2.gz OLZWZDBQPNHWCD-UHFFFAOYSA-N -1 3 336.307 2.706 20 10 EFCDHM COc1c(F)cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1F ZINC001215327741 1314816540 /nfs/dbraw/zinc/81/65/40/1314816540.db2.gz QOZJIJLXGYYAOG-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(C4OCCO4)cc3)no2)cc1O ZINC001215327612 1314816682 /nfs/dbraw/zinc/81/66/82/1314816682.db2.gz KTUNWKLKNNJBOM-UHFFFAOYSA-N -1 3 342.307 2.566 20 10 EFCDHM COc1cc(Cl)cnc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215328776 1314816996 /nfs/dbraw/zinc/81/69/96/1314816996.db2.gz RLQWGJNQYGVMPF-UHFFFAOYSA-N -1 3 335.703 2.577 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3cc(C(F)(F)F)ccn3)no2)cc1O ZINC001215329002 1314817244 /nfs/dbraw/zinc/81/72/44/1314817244.db2.gz YANWQRKPQFBBGJ-UHFFFAOYSA-N -1 3 339.229 2.934 20 10 EFCDHM CN(c1c([O-])cccc1Cl)S(=O)(=O)Cc1ccc(N)cc1 ZINC001215985727 1314897358 /nfs/dbraw/zinc/89/73/58/1314897358.db2.gz HIIHHMLOWCUIJD-UHFFFAOYSA-N -1 3 326.805 2.594 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@H]2C)cc1I ZINC001248462007 1314937100 /nfs/dbraw/zinc/93/71/00/1314937100.db2.gz JZVMGCWKKFNPKJ-MRVPVSSYSA-N -1 3 333.169 2.600 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2CC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC001248883921 1314992395 /nfs/dbraw/zinc/99/23/95/1314992395.db2.gz SAQVNGMWZJBPEU-LBPRGKRZSA-N -1 3 345.892 2.962 20 10 EFCDHM COC(=O)[C@@]1(F)CCN(Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250120957 1315175365 /nfs/dbraw/zinc/17/53/65/1315175365.db2.gz WEPXVCCMUYQAKF-CQSZACIVSA-N -1 3 346.196 2.550 20 10 EFCDHM Cc1cc(OC[C@H]2C[C@@H](O)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218434362 1315195037 /nfs/dbraw/zinc/19/50/37/1315195037.db2.gz XXTHVYUOGXKNIM-TXEJJXNPSA-N -1 3 338.359 2.626 20 10 EFCDHM CN1CCO[C@]2(CCCN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001276818893 1315484533 /nfs/dbraw/zinc/48/45/33/1315484533.db2.gz MCBKZKRFFSMROH-MRXNPFEDSA-N -1 3 345.270 2.996 20 10 EFCDHM CCC[C@@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001252793655 1315508872 /nfs/dbraw/zinc/50/88/72/1315508872.db2.gz PXQOXLWENMXAFP-LLVKDONJSA-N -1 3 325.364 2.741 20 10 EFCDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2C)ccc1O ZINC001259100858 1316209316 /nfs/dbraw/zinc/20/93/16/1316209316.db2.gz RGGHIJHTMKWCFY-UHFFFAOYSA-N -1 3 335.381 2.596 20 10 EFCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1O ZINC001259860987 1316288591 /nfs/dbraw/zinc/28/85/91/1316288591.db2.gz DHUPBGFKIIUDJF-UHFFFAOYSA-N -1 3 331.393 2.884 20 10 EFCDHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c1 ZINC001260811551 1316370890 /nfs/dbraw/zinc/37/08/90/1316370890.db2.gz XOIIFBFHSAXYTI-UHFFFAOYSA-N -1 3 334.397 2.768 20 10 EFCDHM O=C(NC1CC1)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001319825111 1329005586 /nfs/dbraw/zinc/00/55/86/1329005586.db2.gz BBCLRGGATXLMPM-JTQLQIEISA-N -1 3 326.799 2.675 20 10 EFCDHM COc1c([O-])c(CNc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC001339286376 1331834767 /nfs/dbraw/zinc/83/47/67/1331834767.db2.gz CWCIOZYHPHPEKG-QHCPKHFHSA-N -1 3 336.369 2.659 20 10 EFCDHM COc1cc(Br)cc(C[NH2+]C[C@@H](C(=O)[O-])C(C)C)c1[O-] ZINC000848640122 1334821459 /nfs/dbraw/zinc/82/14/59/1334821459.db2.gz NTCBSXWPAZWKQO-LLVKDONJSA-N -1 3 346.221 2.610 20 10 EFCDHM COCCN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H](O)C(F)(F)F ZINC000848921793 1334986607 /nfs/dbraw/zinc/98/66/07/1334986607.db2.gz GIWIVODNNLNTIR-GFCCVEGCSA-N -1 3 345.720 2.556 20 10 EFCDHM C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617951 1426489468 /nfs/dbraw/zinc/48/94/68/1426489468.db2.gz LWQOHNFEZXXSLS-GFCCVEGCSA-N -1 3 340.406 2.923 20 10 EFCDHM C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824617951 1426489471 /nfs/dbraw/zinc/48/94/71/1426489471.db2.gz LWQOHNFEZXXSLS-GFCCVEGCSA-N -1 3 340.406 2.923 20 10 EFCDHM CN1CCCc2cc(CNCc3cc(-c4nnn[n-]4)cs3)ccc21 ZINC000821625571 1430193960 /nfs/dbraw/zinc/19/39/60/1430193960.db2.gz QUZQMWZIIHQAQA-UHFFFAOYSA-N -1 3 340.456 2.600 20 10 EFCDHM CCOc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([O-])c1 ZINC000821422036 1443568568 /nfs/dbraw/zinc/56/85/68/1443568568.db2.gz KJPZBBKMWFNEKK-LBPRGKRZSA-N -1 3 339.399 2.822 20 10 EFCDHM CC[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[O-] ZINC000825139390 1450506595 /nfs/dbraw/zinc/50/65/95/1450506595.db2.gz FTSUTTWLGWNYMO-HNNXBMFYSA-N -1 3 327.363 2.952 20 10 EFCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ncc1Br ZINC000790907684 713955377 /nfs/dbraw/zinc/95/53/77/713955377.db2.gz KLHKUUUICWYUFA-UHFFFAOYSA-N -1 3 339.145 2.516 20 10 EFCDHM CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(Br)ccc1[O-] ZINC000093772825 716447807 /nfs/dbraw/zinc/44/78/07/716447807.db2.gz FQNSYHPHCYBPAY-SNVBAGLBSA-N -1 3 330.222 2.927 20 10 EFCDHM CCn1cnnc1-c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000179422799 717458413 /nfs/dbraw/zinc/45/84/13/717458413.db2.gz PDOVQTZDVJHQEI-UHFFFAOYSA-N -1 3 338.367 2.937 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c([O-])c1O ZINC000179442736 717463013 /nfs/dbraw/zinc/46/30/13/717463013.db2.gz QSHKHLMOCPYITA-UHFFFAOYSA-N -1 3 327.315 2.983 20 10 EFCDHM COC(=O)CN(Cc1ccccc1O)Cc1cc(Cl)ccc1[O-] ZINC000179572895 717791910 /nfs/dbraw/zinc/79/19/10/717791910.db2.gz VNKRIFHTDFHBRM-UHFFFAOYSA-N -1 3 335.787 2.926 20 10 EFCDHM Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c([O-])c1O ZINC000177665136 718157029 /nfs/dbraw/zinc/15/70/29/718157029.db2.gz XCQCLURZPQKMSK-UHFFFAOYSA-N -1 3 326.352 2.785 20 10 EFCDHM CC(=O)N1CCc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc21 ZINC000177665902 718157619 /nfs/dbraw/zinc/15/76/19/718157619.db2.gz MEKSCKCYNVCZKR-UHFFFAOYSA-N -1 3 326.352 2.568 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cc(C)ccn3)CC2)c1[O-] ZINC000166265739 718607599 /nfs/dbraw/zinc/60/75/99/718607599.db2.gz JWFSRIBRCGLMSH-UHFFFAOYSA-N -1 3 343.402 2.760 20 10 EFCDHM CCn1cnc2c1CCN(Cc1c([O-])cccc1Br)C2 ZINC000897333359 724598034 /nfs/dbraw/zinc/59/80/34/724598034.db2.gz FKAUWCWBALMPRM-UHFFFAOYSA-N -1 3 336.233 2.929 20 10 EFCDHM Cc1ccc(CC(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000180056868 719890538 /nfs/dbraw/zinc/89/05/38/719890538.db2.gz SDGNFIGVWVCBHQ-UHFFFAOYSA-N -1 3 342.414 2.727 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC2(CC1)OCCO2 ZINC000893921765 720162089 /nfs/dbraw/zinc/16/20/89/720162089.db2.gz PWBZGJHRZNOBTD-UHFFFAOYSA-N -1 3 346.196 2.633 20 10 EFCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893923563 720162965 /nfs/dbraw/zinc/16/29/65/720162965.db2.gz MQMVXJQTCVIIJR-GFCCVEGCSA-N -1 3 328.359 2.769 20 10 EFCDHM CCCCNC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893947477 720179031 /nfs/dbraw/zinc/17/90/31/720179031.db2.gz KIJVURDCHNVEAE-UHFFFAOYSA-N -1 3 326.387 2.799 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000893979829 720195270 /nfs/dbraw/zinc/19/52/70/720195270.db2.gz FUEDBAFKHYADMS-HNNXBMFYSA-N -1 3 327.371 2.830 20 10 EFCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893984320 720203828 /nfs/dbraw/zinc/20/38/28/720203828.db2.gz MQMVXJQTCVIIJR-LBPRGKRZSA-N -1 3 328.359 2.769 20 10 EFCDHM CC(C)CCC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055184714 720247602 /nfs/dbraw/zinc/24/76/02/720247602.db2.gz VADYWMPLEQMHQT-GFCCVEGCSA-N -1 3 342.461 2.708 20 10 EFCDHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894052272 720252433 /nfs/dbraw/zinc/25/24/33/720252433.db2.gz CEZPXADRYBDMOP-GJZGRUSLSA-N -1 3 326.387 2.892 20 10 EFCDHM CS(=O)(=O)C[C@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000894468958 722748092 /nfs/dbraw/zinc/74/80/92/722748092.db2.gz BZCDYZJNVAUXNN-HNNXBMFYSA-N -1 3 341.379 2.546 20 10 EFCDHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894745931 722832905 /nfs/dbraw/zinc/83/29/05/722832905.db2.gz NAJYERYRWGAEQT-ZDUSSCGKSA-N -1 3 339.260 2.598 20 10 EFCDHM COC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])Cc2ccccc21 ZINC000895412498 724122807 /nfs/dbraw/zinc/12/28/07/724122807.db2.gz XRUIQZSVMXTFNS-OAHLLOKOSA-N -1 3 333.334 2.943 20 10 EFCDHM CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895861878 724345433 /nfs/dbraw/zinc/34/54/33/724345433.db2.gz CYSZOYMDADDHOB-HIFRSBDPSA-N -1 3 341.835 2.944 20 10 EFCDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1F ZINC000151871769 725857250 /nfs/dbraw/zinc/85/72/50/725857250.db2.gz KKAOPQNALRSCMI-UHFFFAOYSA-N -1 3 338.360 2.599 20 10 EFCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c(F)cc1F ZINC000753366714 726269202 /nfs/dbraw/zinc/26/92/02/726269202.db2.gz BRGYFOHZQWHEQL-UHFFFAOYSA-N -1 3 340.395 2.818 20 10 EFCDHM O=C(CSc1n[nH]c(-c2ccccc2O)n1)c1ccc([O-])c(O)c1 ZINC000914866316 726800986 /nfs/dbraw/zinc/80/09/86/726800986.db2.gz GKSYTKYUBMFLIJ-UHFFFAOYSA-N -1 3 343.364 2.564 20 10 EFCDHM O=C(NCCCSc1nccs1)NCc1ccc([O-])c(F)c1 ZINC000153813102 727650779 /nfs/dbraw/zinc/65/07/79/727650779.db2.gz JSVIEYKDTMTGLF-UHFFFAOYSA-N -1 3 341.433 2.969 20 10 EFCDHM C[C@@H]1CN=C(N2CCN(Cc3c([O-])cccc3Cl)CC2)S1 ZINC000130955946 728027947 /nfs/dbraw/zinc/02/79/47/728027947.db2.gz GBKATOAGDBGZEU-LLVKDONJSA-N -1 3 325.865 2.655 20 10 EFCDHM Cc1ccc(C(=O)Nc2cccc(C[S@@](C)=O)c2C)c([O-])c1O ZINC000182462954 728173243 /nfs/dbraw/zinc/17/32/43/728173243.db2.gz HHBCSLPWTZZDEO-HSZRJFAPSA-N -1 3 333.409 2.845 20 10 EFCDHM CC[C@@H](C)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000324793422 729469980 /nfs/dbraw/zinc/46/99/80/729469980.db2.gz MNRKNGZRDXALAJ-SCXUMTSISA-N -1 3 333.388 2.613 20 10 EFCDHM O=C1CN(Cc2cc(F)ccc2[O-])CCN1Cc1cccc(F)c1 ZINC000180198232 729707016 /nfs/dbraw/zinc/70/70/16/729707016.db2.gz HHLQDILEUWKQJX-UHFFFAOYSA-N -1 3 332.350 2.515 20 10 EFCDHM Cc1ccnc(NCc2ccc(N3CC=CC3)cc2)c1-c1nnn[n-]1 ZINC000826314006 947915892 /nfs/dbraw/zinc/91/58/92/947915892.db2.gz BKQOTRVQWHHQHR-UHFFFAOYSA-N -1 3 333.399 2.558 20 10 EFCDHM Cc1ccnc(NCc2ccc(N3CC=CC3)cc2)c1-c1nn[n-]n1 ZINC000826314006 947915897 /nfs/dbraw/zinc/91/58/97/947915897.db2.gz BKQOTRVQWHHQHR-UHFFFAOYSA-N -1 3 333.399 2.558 20 10 EFCDHM COc1cc(O)c(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1OC ZINC001594066699 958140614 /nfs/dbraw/zinc/14/06/14/958140614.db2.gz TZYUNDNJUJFHKS-HNNXBMFYSA-N -1 3 343.379 2.593 20 10 EFCDHM COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1[O-] ZINC000318677891 970460911 /nfs/dbraw/zinc/46/09/11/970460911.db2.gz MEJIKFRBEDOAGV-DUFXMDAXSA-N -1 3 325.792 2.739 20 10 EFCDHM COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1[O-] ZINC000318677891 970460913 /nfs/dbraw/zinc/46/09/13/970460913.db2.gz MEJIKFRBEDOAGV-DUFXMDAXSA-N -1 3 325.792 2.739 20 10 EFCDHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccnn2C)ccc1N1CCCCC1 ZINC001605173216 972882365 /nfs/dbraw/zinc/88/23/65/972882365.db2.gz SXTCDNLJTHZXMP-GOSISDBHSA-N -1 3 342.443 2.634 20 10 EFCDHM O=C([O-])[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000840997482 979299084 /nfs/dbraw/zinc/29/90/84/979299084.db2.gz NNTGURCNYFQBDU-HNNXBMFYSA-N -1 3 347.415 2.882 20 10 EFCDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC001594567972 986365457 /nfs/dbraw/zinc/36/54/57/986365457.db2.gz HFSVYHYKJBSKSE-AWEZNQCLSA-N -1 3 326.396 2.801 20 10 EFCDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1[O-] ZINC001594567972 986365468 /nfs/dbraw/zinc/36/54/68/986365468.db2.gz HFSVYHYKJBSKSE-AWEZNQCLSA-N -1 3 326.396 2.801 20 10 EFCDHM CCOc1ccc(C[NH2+][C@@](C)(CC(=O)[O-])c2ccncc2)c([O-])c1 ZINC001597101347 986716946 /nfs/dbraw/zinc/71/69/46/986716946.db2.gz UGPSORGTUXMDQL-SFHVURJKSA-N -1 3 330.384 2.666 20 10 EFCDHM CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001591104419 991727614 /nfs/dbraw/zinc/72/76/14/991727614.db2.gz BYLWPSRKMCGELA-CYBMUJFWSA-N -1 3 348.443 2.778 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2cc(C(=O)[O-])ccc2OC)c1 ZINC001599597968 993774133 /nfs/dbraw/zinc/77/41/33/993774133.db2.gz CCNOABCPXQNWPO-NSHDSACASA-N -1 3 331.368 2.958 20 10 EFCDHM C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246551 994454612 /nfs/dbraw/zinc/45/46/12/994454612.db2.gz NBRCDUVLQPKXCM-XJKSGUPXSA-N -1 3 329.396 2.735 20 10 EFCDHM C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593249264 994477487 /nfs/dbraw/zinc/47/74/87/994477487.db2.gz MVYQSYVIUIMREX-SNVBAGLBSA-N -1 3 329.343 2.681 20 10 EFCDHM C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252896 994510240 /nfs/dbraw/zinc/51/02/40/994510240.db2.gz WIVADCGPHFEZEG-FWDPORAESA-N -1 3 333.306 2.851 20 10 EFCDHM C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252899 994510522 /nfs/dbraw/zinc/51/05/22/994510522.db2.gz WIVADCGPHFEZEG-IYYTYJHQSA-N -1 3 333.306 2.851 20 10 EFCDHM C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256804 994523024 /nfs/dbraw/zinc/52/30/24/994523024.db2.gz JLUBHYXXOJAVOZ-QWRGUYRKSA-N -1 3 346.349 2.625 20 10 EFCDHM C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257595 994532190 /nfs/dbraw/zinc/53/21/90/994532190.db2.gz QMQCGXYJBFAYMW-GXTWGEPZSA-N -1 3 335.400 2.817 20 10 EFCDHM COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599515340 997374849 /nfs/dbraw/zinc/37/48/49/997374849.db2.gz CMDZEDGLWPIIJH-DOMZBBRYSA-N -1 3 345.395 2.526 20 10 EFCDHM COc1ccc([C@H](NCc2ccc(N(C)C)cc2C)C(=O)[O-])cc1O ZINC001599531266 997658284 /nfs/dbraw/zinc/65/82/84/997658284.db2.gz IXLCYMJUUBEBBP-SFHVURJKSA-N -1 3 344.411 2.691 20 10 EFCDHM COc1cc(Br)cc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)c1[O-] ZINC001599346973 998024469 /nfs/dbraw/zinc/02/44/69/998024469.db2.gz WUSPDFHENLHBPI-LBPRGKRZSA-N -1 3 346.221 2.752 20 10 EFCDHM COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC001599347029 998025586 /nfs/dbraw/zinc/02/55/86/998025586.db2.gz YWFPQFXVIJLEGZ-KCJUWKMLSA-N -1 3 344.205 2.506 20 10 EFCDHM COc1ccc(C[NH2+]Cc2cc(C)c(OCC(=O)[O-])c(C)c2)c([O-])c1 ZINC001599573226 998400236 /nfs/dbraw/zinc/40/02/36/998400236.db2.gz WMTCULBWGHOPQB-UHFFFAOYSA-N -1 3 345.395 2.771 20 10 EFCDHM C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952236 1093192228 /nfs/dbraw/zinc/19/22/28/1093192228.db2.gz QBWZLWUBOCYEDR-MEDUHNTESA-N -1 3 336.399 2.769 20 10 EFCDHM C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956618 1093193986 /nfs/dbraw/zinc/19/39/86/1093193986.db2.gz PBZLYMYOOUOTAG-HUBLWGQQSA-N -1 3 345.447 2.817 20 10 EFCDHM C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961328 1093196444 /nfs/dbraw/zinc/19/64/44/1093196444.db2.gz LOFWBIVJJRBNNL-ULKVUYOBSA-N -1 3 339.802 2.928 20 10 EFCDHM CC[C@@H]([NH2+]C[C@H](C)CC(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462642 1093432110 /nfs/dbraw/zinc/43/21/10/1093432110.db2.gz DQDXIDBLPWZPOD-BXKDBHETSA-N -1 3 325.363 2.904 20 10 EFCDHM CC[C@H]([NH2+]C[C@H](C)CC(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462645 1093432224 /nfs/dbraw/zinc/43/22/24/1093432224.db2.gz DQDXIDBLPWZPOD-SKDRFNHKSA-N -1 3 325.363 2.904 20 10 EFCDHM CC[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467198 1093438433 /nfs/dbraw/zinc/43/84/33/1093438433.db2.gz QWROFVLRLNZXIT-SUNKGSAMSA-N -1 3 333.461 2.897 20 10 EFCDHM CC[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468744 1093441455 /nfs/dbraw/zinc/44/14/55/1093441455.db2.gz XRBCCMYSJCKVLY-YAKODHLKSA-N -1 3 335.358 2.801 20 10 EFCDHM CC[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469424 1093441798 /nfs/dbraw/zinc/44/17/98/1093441798.db2.gz YWYBUKIXEITPLP-IUODEOHRSA-N -1 3 343.431 2.715 20 10 EFCDHM CCCC(O)(CCC)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590558872 1093485601 /nfs/dbraw/zinc/48/56/01/1093485601.db2.gz IQAVMBLBSJKJMH-GFCCVEGCSA-N -1 3 333.436 2.554 20 10 EFCDHM COCCC1(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCCC1 ZINC001591401037 1093717786 /nfs/dbraw/zinc/71/77/86/1093717786.db2.gz NVLWYJNQRQLHRH-CYBMUJFWSA-N -1 3 345.447 2.820 20 10 EFCDHM COc1ccc(O)c(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001591618778 1093802095 /nfs/dbraw/zinc/80/20/95/1093802095.db2.gz PSBOXPVBNHPDOS-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc(O)c(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001591618778 1093802117 /nfs/dbraw/zinc/80/21/17/1093802117.db2.gz PSBOXPVBNHPDOS-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc2c(c1)CCCCN2Cc1cncc(-c2nnn[n-]2)c1 ZINC001591626345 1093803251 /nfs/dbraw/zinc/80/32/51/1093803251.db2.gz LWEZUZAYANKJRS-UHFFFAOYSA-N -1 3 336.399 2.613 20 10 EFCDHM COc1ccc2c(c1)CCCCN2Cc1cncc(-c2nn[n-]n2)c1 ZINC001591626345 1093803258 /nfs/dbraw/zinc/80/32/58/1093803258.db2.gz LWEZUZAYANKJRS-UHFFFAOYSA-N -1 3 336.399 2.613 20 10 EFCDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1O ZINC001591730288 1093846356 /nfs/dbraw/zinc/84/63/56/1093846356.db2.gz ZIJGHNZKPOZWGM-SECBINFHSA-N -1 3 326.316 2.654 20 10 EFCDHM Cc1cc(-c2nnn[n-]2)cc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC001591854237 1093891126 /nfs/dbraw/zinc/89/11/26/1093891126.db2.gz FLWCRFJTHNVKNL-UHFFFAOYSA-N -1 3 349.442 2.805 20 10 EFCDHM Cc1cc(-c2nn[n-]n2)cc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC001591854237 1093891133 /nfs/dbraw/zinc/89/11/33/1093891133.db2.gz FLWCRFJTHNVKNL-UHFFFAOYSA-N -1 3 349.442 2.805 20 10 EFCDHM Cc1cc(C)cc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591954447 1093931231 /nfs/dbraw/zinc/93/12/31/1093931231.db2.gz RCTRAXZQUDOFKW-UHFFFAOYSA-N -1 3 339.428 2.797 20 10 EFCDHM Cc1cc(CNc2ncncc2-c2nnn[n-]2)c(C)n1-c1ccccc1 ZINC001591969989 1093939138 /nfs/dbraw/zinc/93/91/38/1093939138.db2.gz ADQONWULKLPLFU-UHFFFAOYSA-N -1 3 346.398 2.676 20 10 EFCDHM Cc1nc(NCc2ccc(N3CCCC3)cc2)ccc1-c1nnn[n-]1 ZINC001592395296 1094099830 /nfs/dbraw/zinc/09/98/30/1094099830.db2.gz DXGCNFKABBEVEM-UHFFFAOYSA-N -1 3 335.415 2.782 20 10 EFCDHM Cc1nc(NCc2ccc(N3CCCC3)cc2)ccc1-c1nn[n-]n1 ZINC001592395296 1094099834 /nfs/dbraw/zinc/09/98/34/1094099834.db2.gz DXGCNFKABBEVEM-UHFFFAOYSA-N -1 3 335.415 2.782 20 10 EFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1C1CCC1 ZINC001593376180 1094300744 /nfs/dbraw/zinc/30/07/44/1094300744.db2.gz BIGOCBQACRIAFE-POHAHGRESA-N -1 3 349.466 2.682 20 10 EFCDHM O=C([O-])c1cc(CNCc2ccc3c(c2)CCO3)n2c1CCCC2 ZINC001602260905 1096145774 /nfs/dbraw/zinc/14/57/74/1096145774.db2.gz DWHUHECXVWRFDI-UHFFFAOYSA-N -1 3 326.396 2.747 20 10 EFCDHM CC[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054334 1096712051 /nfs/dbraw/zinc/71/20/51/1096712051.db2.gz HZHOEEJDGUHOGA-IOASZLSFSA-N -1 3 345.447 2.818 20 10 EFCDHM CC[C@H]([NH2+]CC[C@@H]1CCO[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054467 1096712636 /nfs/dbraw/zinc/71/26/36/1096712636.db2.gz HZHOEEJDGUHOGA-ZENOOKHLSA-N -1 3 345.447 2.818 20 10 EFCDHM C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001604347692 1096822894 /nfs/dbraw/zinc/82/28/94/1096822894.db2.gz HIMYUZIKSNIJQS-MRVPVSSYSA-N -1 3 343.305 2.694 20 10 EFCDHM CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C12CCC2 ZINC001604412415 1096844662 /nfs/dbraw/zinc/84/46/62/1096844662.db2.gz JYHHYTNJVWYGBL-KCPJHIHWSA-N -1 3 343.431 2.571 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)c(OC)c2)cc1 ZINC001605291547 1097083697 /nfs/dbraw/zinc/08/36/97/1097083697.db2.gz XSJAPNUEEMDDQO-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)c(OC)c2)cc1 ZINC001605291547 1097083704 /nfs/dbraw/zinc/08/37/04/1097083704.db2.gz XSJAPNUEEMDDQO-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM COc1ccc(O)c(CNc2nc(C)c(-c3nnn[n-]3)cc2Cl)c1 ZINC001605303354 1097088656 /nfs/dbraw/zinc/08/86/56/1097088656.db2.gz OJYBRLXYMHEWPD-UHFFFAOYSA-N -1 3 346.778 2.550 20 10 EFCDHM COc1ccc(O)c(CNc2nc(C)c(-c3nn[n-]n3)cc2Cl)c1 ZINC001605303354 1097088662 /nfs/dbraw/zinc/08/86/62/1097088662.db2.gz OJYBRLXYMHEWPD-UHFFFAOYSA-N -1 3 346.778 2.550 20 10 EFCDHM COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605313520 1097092243 /nfs/dbraw/zinc/09/22/43/1097092243.db2.gz XILQQMJCJAFVJR-RYUDHWBXSA-N -1 3 339.399 2.993 20 10 EFCDHM Cc1nc(NCc2ccc(N(C)C)cc2)c(Cl)cc1-c1nnn[n-]1 ZINC001606076531 1097312889 /nfs/dbraw/zinc/31/28/89/1097312889.db2.gz KOLLIKHNAHVVFR-UHFFFAOYSA-N -1 3 343.822 2.902 20 10 EFCDHM Cc1nc(NCc2ccc(N(C)C)cc2)c(Cl)cc1-c1nn[n-]n1 ZINC001606076531 1097312894 /nfs/dbraw/zinc/31/28/94/1097312894.db2.gz KOLLIKHNAHVVFR-UHFFFAOYSA-N -1 3 343.822 2.902 20 10 EFCDHM COc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c(O)c1OC ZINC001607251942 1097575744 /nfs/dbraw/zinc/57/57/44/1097575744.db2.gz GBGKECUKKSFBRX-OAHLLOKOSA-N -1 3 343.379 2.593 20 10 EFCDHM COc1ccc(N2CCCN(Cc3cc(C)c(C(=O)[O-])[nH]3)CC2)cc1 ZINC001607269064 1097579453 /nfs/dbraw/zinc/57/94/53/1097579453.db2.gz CCHIJWJWJHPXED-UHFFFAOYSA-N -1 3 343.427 2.742 20 10 EFCDHM COc1ccccc1OCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607347777 1097609476 /nfs/dbraw/zinc/60/94/76/1097609476.db2.gz CLOZQNNBPAOVQO-LBPRGKRZSA-N -1 3 331.368 2.829 20 10 EFCDHM COc1ccccc1OCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607347776 1097609752 /nfs/dbraw/zinc/60/97/52/1097609752.db2.gz CLOZQNNBPAOVQO-GFCCVEGCSA-N -1 3 331.368 2.829 20 10 EFCDHM CCN(CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC001609224540 1098212384 /nfs/dbraw/zinc/21/23/84/1098212384.db2.gz HSUCCKRXNOHKBN-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(O)c1O ZINC001609420208 1098304165 /nfs/dbraw/zinc/30/41/65/1098304165.db2.gz XUOQMSFHKDNINX-SNVBAGLBSA-N -1 3 340.339 2.504 20 10 EFCDHM Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(O)c1O ZINC001609420208 1098304172 /nfs/dbraw/zinc/30/41/72/1098304172.db2.gz XUOQMSFHKDNINX-SNVBAGLBSA-N -1 3 340.339 2.504 20 10 EFCDHM C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609772304 1098452824 /nfs/dbraw/zinc/45/28/24/1098452824.db2.gz IZYKJLYEMRZZNX-XJKSGUPXSA-N -1 3 329.396 2.907 20 10 EFCDHM C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609773501 1098453175 /nfs/dbraw/zinc/45/31/75/1098453175.db2.gz OHMIXFANKYSCKB-PXAZEXFGSA-N -1 3 343.427 2.507 20 10 EFCDHM C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609773507 1098453582 /nfs/dbraw/zinc/45/35/82/1098453582.db2.gz OHMIXFANKYSCKB-YVEFUNNKSA-N -1 3 343.427 2.507 20 10 EFCDHM C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779879 1098455329 /nfs/dbraw/zinc/45/53/29/1098455329.db2.gz QVZBDJYCEPRUTD-YGRLFVJLSA-N -1 3 331.343 2.884 20 10 EFCDHM CN(Cc1csc(C(=O)[O-])c1)Cc1ccc(N2CCOCC2)cc1 ZINC001610122518 1098553637 /nfs/dbraw/zinc/55/36/37/1098553637.db2.gz ZETKEMWSUXGLEQ-UHFFFAOYSA-N -1 3 346.452 2.915 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC001610207600 1098572150 /nfs/dbraw/zinc/57/21/50/1098572150.db2.gz IWCWOHHNLSSHOE-WCQYABFASA-N -1 3 343.379 2.627 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC001610207600 1098572155 /nfs/dbraw/zinc/57/21/55/1098572155.db2.gz IWCWOHHNLSSHOE-WCQYABFASA-N -1 3 343.379 2.627 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC001610432517 1098673748 /nfs/dbraw/zinc/67/37/48/1098673748.db2.gz NMTXJVMRCBRTPV-RYUDHWBXSA-N -1 3 328.206 2.806 20 10 EFCDHM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780957300 1104123314 /nfs/dbraw/zinc/12/33/14/1104123314.db2.gz RXWAYUPGEADKOC-UHFFFAOYSA-N -1 3 342.351 2.924 20 10 EFCDHM C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)CC[C@@H]1O ZINC001233027401 1107544100 /nfs/dbraw/zinc/54/41/00/1107544100.db2.gz RELWULNISQTHFQ-RNCFNFMXSA-N -1 3 332.213 2.887 20 10 EFCDHM COCCO[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000179357172 1108316266 /nfs/dbraw/zinc/31/62/66/1108316266.db2.gz VHLLSLHRTPIOMR-HNNXBMFYSA-N -1 3 341.835 2.876 20 10 EFCDHM COCCO[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000179357184 1108317018 /nfs/dbraw/zinc/31/70/18/1108317018.db2.gz VHLLSLHRTPIOMR-OAHLLOKOSA-N -1 3 341.835 2.876 20 10 EFCDHM CC(C)OC(=O)C(C)(C)NCc1cc(Br)ccc1[O-] ZINC000898509598 1108983477 /nfs/dbraw/zinc/98/34/77/1108983477.db2.gz QNLOOIJUBZWAJF-UHFFFAOYSA-N -1 3 330.222 2.975 20 10 EFCDHM CC(=O)Nc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001168522839 1112012112 /nfs/dbraw/zinc/01/21/12/1112012112.db2.gz WEMFMBQZNRDINJ-UHFFFAOYSA-N -1 3 343.774 2.954 20 10 EFCDHM CCOC(=O)CN(Cc1c([O-])ccc2ccncc21)CC(F)(F)F ZINC000920398400 1112339845 /nfs/dbraw/zinc/33/98/45/1112339845.db2.gz WSNFORDLDVPFFF-UHFFFAOYSA-N -1 3 342.317 2.868 20 10 EFCDHM C[S@@](=O)c1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168526491 1118716779 /nfs/dbraw/zinc/71/67/79/1118716779.db2.gz XDCFFTNQZKJFBI-HSZRJFAPSA-N -1 3 348.815 2.733 20 10 EFCDHM Cc1cc([O-])c(CN2CC(O)(C(F)(F)F)C2)cc1Br ZINC001237677387 1118790557 /nfs/dbraw/zinc/79/05/57/1118790557.db2.gz MNGSKYWKZKSVIL-UHFFFAOYSA-N -1 3 340.139 2.572 20 10 EFCDHM O=[N+]([O-])c1nccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528636 1120258464 /nfs/dbraw/zinc/25/84/64/1120258464.db2.gz XHQWAPZIXJZUQU-UHFFFAOYSA-N -1 3 331.719 2.904 20 10 EFCDHM [O-]c1c(CNc2ccc3nccnc3n2)cc(Cl)c2cccnc12 ZINC001168528613 1120263068 /nfs/dbraw/zinc/26/30/68/1120263068.db2.gz WJOYIXCMDMEEGX-UHFFFAOYSA-N -1 3 337.770 2.918 20 10 EFCDHM C[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276873361 299300594 /nfs/dbraw/zinc/30/05/94/299300594.db2.gz FADIZPYLMOPZQV-NSHDSACASA-N -1 3 341.379 2.795 20 10 EFCDHM COC(=O)[C@@H](C)N(Cc1cc(Cl)cc(OC)c1[O-])C1CCC1 ZINC000191648446 291232681 /nfs/dbraw/zinc/23/26/81/291232681.db2.gz RTIVMGLYRUXWAQ-SNVBAGLBSA-N -1 3 327.808 2.970 20 10 EFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]1 ZINC000158069007 239004150 /nfs/dbraw/zinc/00/41/50/239004150.db2.gz MWJWUUSLUWIFLA-AWEZNQCLSA-N -1 3 333.819 2.768 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]1 ZINC000158068874 239004287 /nfs/dbraw/zinc/00/42/87/239004287.db2.gz MWJWUUSLUWIFLA-CQSZACIVSA-N -1 3 333.819 2.768 20 10 EFCDHM Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c([O-])c1O ZINC000177671384 239384912 /nfs/dbraw/zinc/38/49/12/239384912.db2.gz DIZVVMMAQIODJS-CQSZACIVSA-N -1 3 326.396 2.663 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CCN(C(=O)C4CC4)CC3)c2c1 ZINC000023717516 212392228 /nfs/dbraw/zinc/39/22/28/212392228.db2.gz DJXQMVAKRZSPNE-UHFFFAOYSA-N -1 3 340.423 2.608 20 10 EFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1noc(-c2ccccc2)n1 ZINC000193134088 240085425 /nfs/dbraw/zinc/08/54/25/240085425.db2.gz PCAFNJGKXBZWBT-JTQLQIEISA-N -1 3 325.324 2.639 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000193162692 240088478 /nfs/dbraw/zinc/08/84/78/240088478.db2.gz HNXWYYYJKKRPCQ-HNNXBMFYSA-N -1 3 327.380 2.572 20 10 EFCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])c1nc(-c2ccccc2)no1 ZINC000193149375 240088954 /nfs/dbraw/zinc/08/89/54/240088954.db2.gz XWKAJJKHVLGNAA-LLVKDONJSA-N -1 3 339.351 2.681 20 10 EFCDHM O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1cccc(O)c1[O-] ZINC000294023997 241031978 /nfs/dbraw/zinc/03/19/78/241031978.db2.gz WBKFIPAQNBAUJF-UHFFFAOYSA-N -1 3 345.370 2.759 20 10 EFCDHM O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(O)c1[O-] ZINC000364016207 242289889 /nfs/dbraw/zinc/28/98/89/242289889.db2.gz YHVNMGVALZFFKH-NSHDSACASA-N -1 3 348.349 2.632 20 10 EFCDHM COc1cc(Cl)cc(CN2CCOC[C@H]2[C@H]2CCCC2=O)c1[O-] ZINC000365149179 242317688 /nfs/dbraw/zinc/31/76/88/242317688.db2.gz GBTZHKVVBSOMFS-KGLIPLIRSA-N -1 3 339.819 2.624 20 10 EFCDHM COC(=O)[C@]1(C)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177427669 533617951 /nfs/dbraw/zinc/61/79/51/533617951.db2.gz QGYMOKIUJIVOCW-MRXNPFEDSA-N -1 3 325.792 2.633 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)c([O-])c1O ZINC000179548229 292072346 /nfs/dbraw/zinc/07/23/46/292072346.db2.gz BBMMFTKNJNKPNT-INIZCTEOSA-N -1 3 343.423 2.938 20 10 EFCDHM [O-]c1cccc(Cl)c1CNCc1cccnc1N1CCOCC1 ZINC000113320365 544569176 /nfs/dbraw/zinc/56/91/76/544569176.db2.gz HFSBGOQIGPOXHU-UHFFFAOYSA-N -1 3 333.819 2.567 20 10 EFCDHM C[C@@H]1COCCN1c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000187115333 288349847 /nfs/dbraw/zinc/34/98/47/288349847.db2.gz WDVXYJNCKHFHMS-GFCCVEGCSA-N -1 3 328.368 2.575 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CN[C@]1(CO)COc2ccccc2C1 ZINC000529642110 316937634 /nfs/dbraw/zinc/93/76/34/316937634.db2.gz FAKLZEXPMVCORN-QGZVFWFLSA-N -1 3 337.778 2.641 20 10 EFCDHM CCCN(Cc1csc(CC(=O)N(C)C)n1)Cc1ccccc1[O-] ZINC000111997053 473238317 /nfs/dbraw/zinc/23/83/17/473238317.db2.gz VJHLXFSXZVOZAD-UHFFFAOYSA-N -1 3 347.484 2.892 20 10 EFCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccccc1F ZINC000030419014 472332328 /nfs/dbraw/zinc/33/23/28/472332328.db2.gz KNUOZBHLSCGWIO-UHFFFAOYSA-N -1 3 334.416 2.904 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])c1ncnc2n[nH]cc21 ZINC000089602676 472467694 /nfs/dbraw/zinc/46/76/94/472467694.db2.gz YTLNOFVNESFNRJ-UHFFFAOYSA-N -1 3 348.204 2.848 20 10 EFCDHM COC(=O)CN(CCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000077284627 472492630 /nfs/dbraw/zinc/49/26/30/472492630.db2.gz QCQJZSUHOURIDJ-UHFFFAOYSA-N -1 3 325.714 2.973 20 10 EFCDHM COC(=O)c1ccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000070976717 472530819 /nfs/dbraw/zinc/53/08/19/472530819.db2.gz QDQLXPIXWNROFW-OAHLLOKOSA-N -1 3 345.395 2.953 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000119294642 472543975 /nfs/dbraw/zinc/54/39/75/472543975.db2.gz MKLDVSRRBGKIQM-ZDUSSCGKSA-N -1 3 348.834 2.752 20 10 EFCDHM CCO[C@H]1C[C@H](O)C12CCN(Cc1c([O-])cccc1Cl)CC2 ZINC000130247654 472591957 /nfs/dbraw/zinc/59/19/57/472591957.db2.gz SMNYQLQICGFVFX-HOTGVXAUSA-N -1 3 325.836 2.798 20 10 EFCDHM COc1ccc(CNC(=O)CN[C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000120024498 472618327 /nfs/dbraw/zinc/61/83/27/472618327.db2.gz KJNMKBPQQMRJKL-GFCCVEGCSA-N -1 3 332.375 2.507 20 10 EFCDHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000120476372 472695901 /nfs/dbraw/zinc/69/59/01/472695901.db2.gz DPQLQYNNFHDEJC-MRXNPFEDSA-N -1 3 343.427 2.631 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2cccn2C)c1[O-] ZINC000132001510 472707744 /nfs/dbraw/zinc/70/77/44/472707744.db2.gz YYUVAGYVWSNSJW-QGZVFWFLSA-N -1 3 332.375 2.646 20 10 EFCDHM COc1cc(C)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1[O-] ZINC000091986536 472836884 /nfs/dbraw/zinc/83/68/84/472836884.db2.gz FJLGRLKRRYEKCW-UHFFFAOYSA-N -1 3 342.395 2.814 20 10 EFCDHM COc1ccccc1CN(CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079413261 472860440 /nfs/dbraw/zinc/86/04/40/472860440.db2.gz ZNGYDNCNQOXEOL-UHFFFAOYSA-N -1 3 347.386 2.737 20 10 EFCDHM CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158039000 472885991 /nfs/dbraw/zinc/88/59/91/472885991.db2.gz JLLISBMWBXKGOZ-WFASDCNBSA-N -1 3 340.851 2.551 20 10 EFCDHM CO[C@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134261169 472890004 /nfs/dbraw/zinc/89/00/04/472890004.db2.gz YTJBWMMSKIOZRN-DOMZBBRYSA-N -1 3 340.851 2.551 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccncc1 ZINC000158078706 472891040 /nfs/dbraw/zinc/89/10/40/472891040.db2.gz AQUYJPDGNFRTOP-MRXNPFEDSA-N -1 3 345.830 2.835 20 10 EFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccccn1 ZINC000158110785 472893423 /nfs/dbraw/zinc/89/34/23/472893423.db2.gz WXHGGRVWTRFXFR-OAHLLOKOSA-N -1 3 345.830 2.835 20 10 EFCDHM Cc1cc(O)c(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1C ZINC000092937658 473009562 /nfs/dbraw/zinc/00/95/62/473009562.db2.gz RAWCHCLIGFGYGA-UHFFFAOYSA-N -1 3 340.423 2.673 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCOC ZINC000080660142 473064322 /nfs/dbraw/zinc/06/43/22/473064322.db2.gz KPSOSFRZOGHOKH-UHFFFAOYSA-N -1 3 345.237 2.723 20 10 EFCDHM CCCOc1ccc(CN(CC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000093358591 473093026 /nfs/dbraw/zinc/09/30/26/473093026.db2.gz URCJHFYXVUNNBI-UHFFFAOYSA-N -1 3 328.412 2.669 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000093505787 473115193 /nfs/dbraw/zinc/11/51/93/473115193.db2.gz HOJBIRAAGCJUIJ-YGRLFVJLSA-N -1 3 326.780 2.955 20 10 EFCDHM C[C@H](C(=O)N1CCc2sccc2C1)N(C)Cc1ccccc1[O-] ZINC000109770659 473119618 /nfs/dbraw/zinc/11/96/18/473119618.db2.gz CREYFBDDTAIVNZ-CYBMUJFWSA-N -1 3 330.453 2.859 20 10 EFCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000093928189 473163532 /nfs/dbraw/zinc/16/35/32/473163532.db2.gz VEXLYORAQJFXPE-UHFFFAOYSA-N -1 3 340.445 2.559 20 10 EFCDHM Cc1ccccc1CCNC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000111236241 473198462 /nfs/dbraw/zinc/19/84/62/473198462.db2.gz BGADNVGAEDBNML-INIZCTEOSA-N -1 3 326.440 2.880 20 10 EFCDHM CN(CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccccc1[O-] ZINC000137278892 473201993 /nfs/dbraw/zinc/20/19/93/473201993.db2.gz SIKJPNZBZYTQJW-UHFFFAOYSA-N -1 3 334.445 2.612 20 10 EFCDHM COCCN(Cc1cccnc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000191246413 473518001 /nfs/dbraw/zinc/51/80/01/473518001.db2.gz RFWQEBRFOFBWSD-UHFFFAOYSA-N -1 3 332.375 2.778 20 10 EFCDHM CCO[C@H]1C[C@H](O)C12CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000191394952 473534732 /nfs/dbraw/zinc/53/47/32/473534732.db2.gz KAMMYISJZUBXGG-GJZGRUSLSA-N -1 3 343.826 2.937 20 10 EFCDHM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179453427 473688762 /nfs/dbraw/zinc/68/87/62/473688762.db2.gz HJVWMKWARVMFNV-KBPBESRZSA-N -1 3 348.443 2.563 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c([O-])c1O ZINC000179475458 473690195 /nfs/dbraw/zinc/69/01/95/473690195.db2.gz NIMHKBGJEDBZBN-HNNXBMFYSA-N -1 3 349.333 2.898 20 10 EFCDHM C[C@H](c1ccccc1)N(CCNS(C)(=O)=O)Cc1ccccc1[O-] ZINC000179645338 473701748 /nfs/dbraw/zinc/70/17/48/473701748.db2.gz WCTUQFRNGRUDGW-OAHLLOKOSA-N -1 3 348.468 2.505 20 10 EFCDHM COc1ccc(OC)c2c1CN(Cc1cc(F)ccc1[O-])C[C@H]2O ZINC000179890342 473750285 /nfs/dbraw/zinc/75/02/85/473750285.db2.gz KLHUTXKUUWULJK-OAHLLOKOSA-N -1 3 333.359 2.598 20 10 EFCDHM O=C(c1ccc(F)cc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179920635 473755680 /nfs/dbraw/zinc/75/56/80/473755680.db2.gz ABZIPXHBPAGJKW-UHFFFAOYSA-N -1 3 332.350 2.628 20 10 EFCDHM O=C(c1cccc(F)c1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179921372 473756370 /nfs/dbraw/zinc/75/63/70/473756370.db2.gz IZEAKUMHSSTJNG-UHFFFAOYSA-N -1 3 332.350 2.628 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000287815705 473767657 /nfs/dbraw/zinc/76/76/57/473767657.db2.gz JXVGMFRBWMETNO-IKGGRYGDSA-N -1 3 339.391 2.743 20 10 EFCDHM CN(Cc1cccc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000180433905 473876878 /nfs/dbraw/zinc/87/68/78/473876878.db2.gz BROVDDAWXKFTIF-KGLIPLIRSA-N -1 3 331.865 2.833 20 10 EFCDHM C[C@@H](NCC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187852601 473930587 /nfs/dbraw/zinc/93/05/87/473930587.db2.gz MGVJOCRNADPVOX-GFCCVEGCSA-N -1 3 334.366 2.680 20 10 EFCDHM COCCn1cc(CNCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000282100899 473946065 /nfs/dbraw/zinc/94/60/65/473946065.db2.gz SMRMLHZQNSOSHV-UHFFFAOYSA-N -1 3 330.215 2.832 20 10 EFCDHM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(O)c1[O-] ZINC000188123287 473992060 /nfs/dbraw/zinc/99/20/60/473992060.db2.gz IXNFQVUHEVJZLN-UHFFFAOYSA-N -1 3 340.379 2.976 20 10 EFCDHM Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1C(=O)N1CCCC1 ZINC000188194628 474014991 /nfs/dbraw/zinc/01/49/91/474014991.db2.gz NETVELXUXYJJKS-UHFFFAOYSA-N -1 3 340.379 2.895 20 10 EFCDHM C[C@@H]1CN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)C[C@H](C)O1 ZINC000275008626 474040438 /nfs/dbraw/zinc/04/04/38/474040438.db2.gz WQWNHJUBTPBYJC-BETUJISGSA-N -1 3 342.395 2.964 20 10 EFCDHM [O-]c1ccccc1CN(Cc1nnc2n1CCCC2)C[C@H]1CCCO1 ZINC000264724288 474104541 /nfs/dbraw/zinc/10/45/41/474104541.db2.gz POFRLTVVOFIRDZ-MRXNPFEDSA-N -1 3 342.443 2.501 20 10 EFCDHM Cc1ccc(C(=O)N2CCCN(c3ccccc3)CC2)c([O-])c1O ZINC000182153008 474110106 /nfs/dbraw/zinc/11/01/06/474110106.db2.gz ILTPFGIFXMZGMH-UHFFFAOYSA-N -1 3 326.396 2.759 20 10 EFCDHM COc1c([O-])c(CNCc2cc(C)cc(Cl)n2)ccc1[N+](=O)[O-] ZINC000282643031 474140277 /nfs/dbraw/zinc/14/02/77/474140277.db2.gz ZNMPHTPGNSAPAG-UHFFFAOYSA-N -1 3 337.763 2.956 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ncc(Cl)n2C)c1[O-] ZINC000183272690 474364597 /nfs/dbraw/zinc/36/45/97/474364597.db2.gz FWDAYKQMMGYQKN-UHFFFAOYSA-N -1 3 325.771 2.753 20 10 EFCDHM CC[C@@H](OC)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000266521085 474434940 /nfs/dbraw/zinc/43/49/40/474434940.db2.gz JZCBOIWSUPJQPV-CYBMUJFWSA-N -1 3 330.222 2.928 20 10 EFCDHM CCCOc1ccc(CN2C[C@@H](C)S(=O)(=O)[C@@H](CC)C2)c([O-])c1 ZINC000289930289 474489827 /nfs/dbraw/zinc/48/98/27/474489827.db2.gz WJTHITCZIYUCAC-CJNGLKHVSA-N -1 3 341.473 2.579 20 10 EFCDHM COC(=O)CN(Cc1cncc(C)c1)Cc1cc(Cl)ccc1[O-] ZINC000189952275 474517709 /nfs/dbraw/zinc/51/77/09/474517709.db2.gz WSNRCJBWUCWCQJ-UHFFFAOYSA-N -1 3 334.803 2.924 20 10 EFCDHM [O-]c1ccc(Br)cc1CN[C@H](CCO)c1ccco1 ZINC000184520191 474536319 /nfs/dbraw/zinc/53/63/19/474536319.db2.gz YDRGDTHKPBZAQB-GFCCVEGCSA-N -1 3 326.190 2.961 20 10 EFCDHM CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000290167629 474560698 /nfs/dbraw/zinc/56/06/98/474560698.db2.gz MNVYPKKFTJYUIZ-ZDUSSCGKSA-N -1 3 342.823 2.765 20 10 EFCDHM COc1ccc([C@H](CN(C)C)NCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284127836 474578202 /nfs/dbraw/zinc/57/82/02/474578202.db2.gz UIGATWIQRFGFJM-KRWDZBQOSA-N -1 3 345.399 2.702 20 10 EFCDHM CCOC(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184679503 474582018 /nfs/dbraw/zinc/58/20/18/474582018.db2.gz VVAQDBIKVQWHMW-CYBMUJFWSA-N -1 3 342.823 2.765 20 10 EFCDHM CC[C@H](C(=O)NCc1cccc(Br)c1[O-])N(CC)CC ZINC000277459531 474586733 /nfs/dbraw/zinc/58/67/33/474586733.db2.gz GURBEEWRPZXVQY-CYBMUJFWSA-N -1 3 343.265 2.891 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[C@@H](C)[S@@](=O)CC2)c1[O-] ZINC000277629202 474591360 /nfs/dbraw/zinc/59/13/60/474591360.db2.gz MTWDURLLDLMAOK-WYRIXSBYSA-N -1 3 346.290 2.806 20 10 EFCDHM O=C1[C@@H](NCc2cccc(Cl)c2[O-])CCN1Cc1ccccc1 ZINC000271916103 474598493 /nfs/dbraw/zinc/59/84/93/474598493.db2.gz YTZWMWNWTPKHTE-INIZCTEOSA-N -1 3 330.815 2.936 20 10 EFCDHM C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(F)cc1[O-] ZINC000291251677 474599042 /nfs/dbraw/zinc/59/90/42/474599042.db2.gz RLVZWYSRYSRVOD-ZDUSSCGKSA-N -1 3 343.402 2.636 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H](C)CSC ZINC000272312843 474607834 /nfs/dbraw/zinc/60/78/34/474607834.db2.gz YXEGTSMWNKYOBU-SNVBAGLBSA-N -1 3 345.848 2.546 20 10 EFCDHM COC(=O)c1ccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)[nH]1 ZINC000272713901 474622913 /nfs/dbraw/zinc/62/29/13/474622913.db2.gz CFEJBFWXIHDLFO-INIZCTEOSA-N -1 3 344.411 2.688 20 10 EFCDHM COC(=O)c1ccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)[nH]1 ZINC000272713903 474623387 /nfs/dbraw/zinc/62/33/87/474623387.db2.gz CFEJBFWXIHDLFO-MRXNPFEDSA-N -1 3 344.411 2.688 20 10 EFCDHM Cc1ccc(C(=O)Nc2nnc(CC(F)(F)F)s2)c([O-])c1O ZINC000272733950 474624648 /nfs/dbraw/zinc/62/46/48/474624648.db2.gz KNGMHFAGQVAMCA-UHFFFAOYSA-N -1 3 333.291 2.615 20 10 EFCDHM Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)c([O-])c1O ZINC000272887170 474634179 /nfs/dbraw/zinc/63/41/79/474634179.db2.gz YRFCXQRSMJHAFW-UHFFFAOYSA-N -1 3 341.411 2.722 20 10 EFCDHM COc1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CCO2 ZINC000278551886 474696873 /nfs/dbraw/zinc/69/68/73/474696873.db2.gz ZGMXQPZXFNPLKP-UHFFFAOYSA-N -1 3 346.339 2.717 20 10 EFCDHM Cc1ccc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)c([O-])c1O ZINC000273144483 474741115 /nfs/dbraw/zinc/74/11/15/474741115.db2.gz ZGDVAYZIUFPOOR-UHFFFAOYSA-N -1 3 347.440 2.882 20 10 EFCDHM CC(C)c1nnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)[nH]1 ZINC000293144118 474837243 /nfs/dbraw/zinc/83/72/43/474837243.db2.gz MADZCKMNRNBIBK-HNNXBMFYSA-N -1 3 330.432 2.815 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCCc3c2cnn3C)c1 ZINC000273424964 474892186 /nfs/dbraw/zinc/89/21/86/474892186.db2.gz TUKMIQAIAXHFOI-IAQYHMDHSA-N -1 3 329.400 2.641 20 10 EFCDHM CCCOc1ccc(CN2CCO[C@H](c3nnc(CC)o3)C2)c([O-])c1 ZINC000279089143 474959932 /nfs/dbraw/zinc/95/99/32/474959932.db2.gz ACWIQMBYDAUJIF-INIZCTEOSA-N -1 3 347.415 2.700 20 10 EFCDHM COC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000279122477 474960679 /nfs/dbraw/zinc/96/06/79/474960679.db2.gz UYEHLDMXSGULNY-CABCVRRESA-N -1 3 327.808 2.532 20 10 EFCDHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(O)c1[O-] ZINC000279164328 474962720 /nfs/dbraw/zinc/96/27/20/474962720.db2.gz QCJHDPAZQOQFOX-UHFFFAOYSA-N -1 3 331.368 2.777 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)c([O-])c1O ZINC000279155184 474962856 /nfs/dbraw/zinc/96/28/56/474962856.db2.gz AUYPMCUZVDFDRZ-GFCCVEGCSA-N -1 3 346.358 2.624 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279545896 474980331 /nfs/dbraw/zinc/98/03/31/474980331.db2.gz OSQMORCIZUXOMA-UHFFFAOYSA-N -1 3 341.411 2.650 20 10 EFCDHM C[C@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1nncn1C ZINC000273614683 474991678 /nfs/dbraw/zinc/99/16/78/474991678.db2.gz WZWRDVAEBKIUOB-IUCAKERBSA-N -1 3 325.210 2.695 20 10 EFCDHM COc1ccccc1OC[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000279847358 474995259 /nfs/dbraw/zinc/99/52/59/474995259.db2.gz OSEHRLJCAPIYLR-GFCCVEGCSA-N -1 3 331.368 2.551 20 10 EFCDHM COc1ccc(C[C@@H](C)CNC(=O)c2cccc(O)c2[O-])cc1OC ZINC000279832770 474995578 /nfs/dbraw/zinc/99/55/78/474995578.db2.gz NJLLAWVZRVRGPJ-GFCCVEGCSA-N -1 3 345.395 2.724 20 10 EFCDHM COc1ccc(C[C@H](C)CNC(=O)c2cccc(O)c2[O-])cc1OC ZINC000279832777 474996394 /nfs/dbraw/zinc/99/63/94/474996394.db2.gz NJLLAWVZRVRGPJ-LBPRGKRZSA-N -1 3 345.395 2.724 20 10 EFCDHM CC(C)n1ncnc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000280135381 475011309 /nfs/dbraw/zinc/01/13/09/475011309.db2.gz WFPLIWBQHKLZDN-INIZCTEOSA-N -1 3 330.432 2.746 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCc3ccccc3[C@@H]2CO)c1[O-] ZINC000268513222 475025185 /nfs/dbraw/zinc/02/51/85/475025185.db2.gz XCTVTIBAMDOBKY-SFHVURJKSA-N -1 3 329.371 2.826 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000280465598 475027716 /nfs/dbraw/zinc/02/77/16/475027716.db2.gz MSANDCGRQDXZQU-GFCCVEGCSA-N -1 3 341.835 2.824 20 10 EFCDHM CC(C)N1CCc2nc(NC(=O)c3cccc(O)c3[O-])sc2C1 ZINC000280607448 475036647 /nfs/dbraw/zinc/03/66/47/475036647.db2.gz YTSBXWYLLQWAAY-UHFFFAOYSA-N -1 3 333.413 2.573 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCC2(CC1)OCCCO2 ZINC000293717630 475048419 /nfs/dbraw/zinc/04/84/19/475048419.db2.gz SYYLWKIAMATMOI-UHFFFAOYSA-N -1 3 342.233 2.884 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](O)C23CCCC3)c1[O-] ZINC000293785128 475053488 /nfs/dbraw/zinc/05/34/88/475053488.db2.gz CBMGBGWYUPUZES-ZDUSSCGKSA-N -1 3 326.780 2.833 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](OCc3ccncc3)C2)c1[O-] ZINC000281134669 475084351 /nfs/dbraw/zinc/08/43/51/475084351.db2.gz YSDMPMGUICZTSO-KRWDZBQOSA-N -1 3 344.386 2.920 20 10 EFCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OC)c(OC)c1 ZINC000287037788 475090106 /nfs/dbraw/zinc/09/01/06/475090106.db2.gz RDEJXJJNVYFMCA-CYBMUJFWSA-N -1 3 331.368 2.996 20 10 EFCDHM Cc1ccc(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c([O-])c1O ZINC000292565688 475091950 /nfs/dbraw/zinc/09/19/50/475091950.db2.gz FNZIEOQVEZSAPY-HNNXBMFYSA-N -1 3 338.407 2.683 20 10 EFCDHM CC[C@@H](NCc1cnnn1C)c1cc(Br)ccc1[O-] ZINC000287223946 475098097 /nfs/dbraw/zinc/09/80/97/475098097.db2.gz GEOAWPODYDDCTN-GFCCVEGCSA-N -1 3 325.210 2.524 20 10 EFCDHM CCCOc1ccc(CN[C@H](c2nccn2C)C(C)(C)CO)c([O-])c1 ZINC000295078562 475101560 /nfs/dbraw/zinc/10/15/60/475101560.db2.gz QBWIPDKDGDRXPK-QGZVFWFLSA-N -1 3 347.459 2.764 20 10 EFCDHM Cc1nnc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)n1C ZINC000374734054 476507818 /nfs/dbraw/zinc/50/78/18/476507818.db2.gz NPSKEONLQXDLOQ-UHFFFAOYSA-N -1 3 338.367 2.762 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3C)C2)c([O-])c1O ZINC000374756109 476516818 /nfs/dbraw/zinc/51/68/18/476516818.db2.gz WVGGBOYCZVBREL-MRXNPFEDSA-N -1 3 327.380 2.928 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000377708306 476538439 /nfs/dbraw/zinc/53/84/39/476538439.db2.gz XBVIMUQKQBAXKB-DZGCQCFKSA-N -1 3 342.233 2.535 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000374869088 476563575 /nfs/dbraw/zinc/56/35/75/476563575.db2.gz PNEQHGDSKGNOAO-CQSZACIVSA-N -1 3 332.787 2.538 20 10 EFCDHM COc1cccc2c1OCC[C@H]2NC(=O)c1ccc(C)c(O)c1[O-] ZINC000378554278 476719338 /nfs/dbraw/zinc/71/93/38/476719338.db2.gz WBLQPIJCJPODRV-CYBMUJFWSA-N -1 3 329.352 2.668 20 10 EFCDHM CC(=O)N1CC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])c2ccccc21 ZINC000378561915 476721647 /nfs/dbraw/zinc/72/16/47/476721647.db2.gz VPCFREHYVXOOOT-HNNXBMFYSA-N -1 3 340.379 2.634 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000371310302 477233991 /nfs/dbraw/zinc/23/39/91/477233991.db2.gz JACFJLDEOZQKKT-INIZCTEOSA-N -1 3 347.390 2.647 20 10 EFCDHM CCc1nc([C@H]2CCCCN2Cc2cc3c(cc2[O-])OCO3)no1 ZINC000371405253 477297099 /nfs/dbraw/zinc/29/70/99/477297099.db2.gz ZVNYHQFXQMJYPQ-GFCCVEGCSA-N -1 3 331.372 2.794 20 10 EFCDHM CC(C)OC[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000372125076 477653342 /nfs/dbraw/zinc/65/33/42/477653342.db2.gz ZNCHIONNTZVLLJ-CQSZACIVSA-N -1 3 344.249 2.781 20 10 EFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565901109 479081616 /nfs/dbraw/zinc/08/16/16/479081616.db2.gz GANZBQJBMPMQPE-UHFFFAOYSA-N -1 3 336.395 2.790 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000040817550 526770988 /nfs/dbraw/zinc/77/09/88/526770988.db2.gz GMBJIDRIKBIVKH-UHFFFAOYSA-N -1 3 337.379 2.994 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCOC1 ZINC000175848664 528764497 /nfs/dbraw/zinc/76/44/97/528764497.db2.gz CPGFXWUJXAOUTQ-SNVBAGLBSA-N -1 3 328.206 2.540 20 10 EFCDHM CCOCCNC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000173720916 528769953 /nfs/dbraw/zinc/76/99/53/528769953.db2.gz NOCKSIHMSKMFHE-UHFFFAOYSA-N -1 3 345.237 2.723 20 10 EFCDHM CCS(=O)(=O)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192814036 535633400 /nfs/dbraw/zinc/63/34/00/535633400.db2.gz YPXBCEZDDBULBR-QMMMGPOBSA-N -1 3 326.245 2.784 20 10 EFCDHM CNC(=O)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756396548 575730232 /nfs/dbraw/zinc/73/02/32/575730232.db2.gz OONCHLKELDCDPD-NSHDSACASA-N -1 3 329.356 2.511 20 10 EFCDHM C[C@H](NC[C@@H](O)C(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756448784 575741521 /nfs/dbraw/zinc/74/15/21/575741521.db2.gz FYDVGUNTEJWHEB-XUOSJQGZSA-N -1 3 346.118 2.868 20 10 EFCDHM CCN(CC)C(=O)CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000756457262 575742244 /nfs/dbraw/zinc/74/22/44/575742244.db2.gz PPMJEYMXKPQPPQ-JTQLQIEISA-N -1 3 329.238 2.674 20 10 EFCDHM CNC(=O)c1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756466960 575743358 /nfs/dbraw/zinc/74/33/58/575743358.db2.gz RRDLJWXBYBDNLY-LLVKDONJSA-N -1 3 329.356 2.511 20 10 EFCDHM C[C@H](NCc1ccc(-n2cncn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756544500 575758424 /nfs/dbraw/zinc/75/84/24/575758424.db2.gz JGNDNGHDKRBSJI-LBPRGKRZSA-N -1 3 339.355 2.732 20 10 EFCDHM C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756650248 575772358 /nfs/dbraw/zinc/77/23/58/575772358.db2.gz VBFGVTHUGVLPHN-JTQLQIEISA-N -1 3 337.376 2.570 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CO)c2cccc(F)c2)c1 ZINC000756711038 575779828 /nfs/dbraw/zinc/77/98/28/575779828.db2.gz HKENUYUFNGGNIK-ZBEGNZNMSA-N -1 3 333.359 2.702 20 10 EFCDHM COc1ccc(O)c([C@H](C)[N-]C(=O)C(F)(F)c2nccs2)c1 ZINC000756862411 575794315 /nfs/dbraw/zinc/79/43/15/575794315.db2.gz OVSSTSYYHAFAFI-QMMMGPOBSA-N -1 3 328.340 2.827 20 10 EFCDHM C[C@H]1C[C@H](Nc2cnn(CC(=O)NC3CC3)c2)c2c1c(F)ccc2[O-] ZINC000757636285 575846544 /nfs/dbraw/zinc/84/65/44/575846544.db2.gz GBBMQBYWRVTLAZ-HZMBPMFUSA-N -1 3 344.390 2.667 20 10 EFCDHM CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000757917063 575855727 /nfs/dbraw/zinc/85/57/27/575855727.db2.gz DDLIOWRBPXLYHH-UHFFFAOYSA-N -1 3 333.409 2.702 20 10 EFCDHM CCN(C(=O)c1cc([O-])cs1)[C@H]1CCN(c2ccccc2)C1=O ZINC000760131289 575983102 /nfs/dbraw/zinc/98/31/02/575983102.db2.gz LOKGEDHNAOBBTB-AWEZNQCLSA-N -1 3 330.409 2.721 20 10 EFCDHM O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1cc([O-])cs1 ZINC000760514606 576038333 /nfs/dbraw/zinc/03/83/33/576038333.db2.gz KRNQJGAKOSDARN-AWEZNQCLSA-N -1 3 331.393 2.802 20 10 EFCDHM O=S1(=O)CC[C@H](CCN(Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000760856754 576081362 /nfs/dbraw/zinc/08/13/62/576081362.db2.gz MNZMKVPISCWQLY-HNNXBMFYSA-N -1 3 349.452 2.812 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nn(C)c3ccccc23)c1 ZINC000760897428 576086156 /nfs/dbraw/zinc/08/61/56/576086156.db2.gz LRXQURKNYRDIGU-LBPRGKRZSA-N -1 3 339.395 2.916 20 10 EFCDHM CCCNC(=O)CN(CCC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761192598 576128014 /nfs/dbraw/zinc/12/80/14/576128014.db2.gz SWMTYKWEQSHMTE-UHFFFAOYSA-N -1 3 328.840 2.792 20 10 EFCDHM Cc1cccnc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761199944 576128489 /nfs/dbraw/zinc/12/84/89/576128489.db2.gz LAEQQUROGDGNJC-UHFFFAOYSA-N -1 3 345.786 2.713 20 10 EFCDHM COc1cc(Cl)cc(CN2CCO[C@H](C(F)(F)F)C2)c1[O-] ZINC000761201848 576128815 /nfs/dbraw/zinc/12/88/15/576128815.db2.gz GYWDCPJXMRFBQA-NSHDSACASA-N -1 3 325.714 2.817 20 10 EFCDHM COc1cc(Cl)cc(CN2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000761203617 576129358 /nfs/dbraw/zinc/12/93/58/576129358.db2.gz LGGMVFMMNQSMKR-UHFFFAOYSA-N -1 3 346.814 2.856 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CCC=CO1 ZINC000761266789 576138148 /nfs/dbraw/zinc/13/81/48/576138148.db2.gz MWHQNNNYPNZIER-ZDUSSCGKSA-N -1 3 336.775 2.503 20 10 EFCDHM CCc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)on1 ZINC000761273418 576138842 /nfs/dbraw/zinc/13/88/42/576138842.db2.gz BHAIJLSLIJBZOL-UHFFFAOYSA-N -1 3 349.774 2.560 20 10 EFCDHM CSCC[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761355422 576150386 /nfs/dbraw/zinc/15/03/86/576150386.db2.gz TXYOOAPGRPLFCE-JTQLQIEISA-N -1 3 342.848 2.951 20 10 EFCDHM O=C(NCc1cccc(Br)c1[O-])c1n[nH]c2ccccc21 ZINC000765758378 577073415 /nfs/dbraw/zinc/07/34/15/577073415.db2.gz VUFFXSLEILZDDZ-UHFFFAOYSA-N -1 3 346.184 2.961 20 10 EFCDHM COc1ccccc1N1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000768139441 577257028 /nfs/dbraw/zinc/25/70/28/577257028.db2.gz PBNQURQQNCIMGI-UHFFFAOYSA-N -1 3 328.412 2.732 20 10 EFCDHM O=C(N1CCCCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768225013 577261452 /nfs/dbraw/zinc/26/14/52/577261452.db2.gz BQUQMKIQVUAVLH-UHFFFAOYSA-N -1 3 337.851 2.769 20 10 EFCDHM CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2cc([O-])cs2)C1 ZINC000745003123 577262749 /nfs/dbraw/zinc/26/27/49/577262749.db2.gz XVBCNYGBIMNTAD-JTQLQIEISA-N -1 3 327.402 2.868 20 10 EFCDHM CCS[C@H](C)c1noc(CN(C)C(=O)c2cc([O-])cs2)n1 ZINC000768291057 577264687 /nfs/dbraw/zinc/26/46/87/577264687.db2.gz DPDCMCFCXSGUKV-MRVPVSSYSA-N -1 3 327.431 2.923 20 10 EFCDHM O=[N+]([O-])c1ccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)cn1 ZINC000768303214 577265280 /nfs/dbraw/zinc/26/52/80/577265280.db2.gz MMCTZLHBSQUPHM-UHFFFAOYSA-N -1 3 348.790 2.671 20 10 EFCDHM C[C@@]1(c2ccccc2)CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768462726 577275892 /nfs/dbraw/zinc/27/58/92/577275892.db2.gz CFSJHFKWWIYWHK-QUCCMNQESA-N -1 3 341.407 2.566 20 10 EFCDHM CCOc1cccc(N2CCN(Cc3c([O-])cccc3OC)CC2)n1 ZINC000768893920 577314759 /nfs/dbraw/zinc/31/47/59/577314759.db2.gz VFSISHBKRAYBEJ-UHFFFAOYSA-N -1 3 343.427 2.517 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000737676229 577344677 /nfs/dbraw/zinc/34/46/77/577344677.db2.gz DBGUBSHPEDJXFB-CYBMUJFWSA-N -1 3 343.379 2.629 20 10 EFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000737676229 577344679 /nfs/dbraw/zinc/34/46/79/577344679.db2.gz DBGUBSHPEDJXFB-CYBMUJFWSA-N -1 3 343.379 2.629 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769395495 577358482 /nfs/dbraw/zinc/35/84/82/577358482.db2.gz IFIYQQIHVBVKLY-CYBMUJFWSA-N -1 3 336.432 2.842 20 10 EFCDHM CC(C)(C)OC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000769466125 577364181 /nfs/dbraw/zinc/36/41/81/577364181.db2.gz HZWIWNVUUNDRMH-CQSZACIVSA-N -1 3 327.808 2.588 20 10 EFCDHM CCOc1ccc(CN2CCN([C@@H](C)C(F)(F)F)CC2)c([O-])c1 ZINC000769554321 577372098 /nfs/dbraw/zinc/37/20/98/577372098.db2.gz NORZLSMBYZGCLM-LBPRGKRZSA-N -1 3 332.366 2.859 20 10 EFCDHM COc1cccc([O-])c1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000770349238 577412329 /nfs/dbraw/zinc/41/23/29/577412329.db2.gz FMLPAOHSCXMBMF-LPHOPBHVSA-N -1 3 343.423 2.725 20 10 EFCDHM COC(=O)C[C@]1(NCc2cc(Cl)cc(Cl)c2[O-])CCCOC1 ZINC000770674308 581124244 /nfs/dbraw/zinc/12/42/44/581124244.db2.gz BOVVKDQIXMICNF-OAHLLOKOSA-N -1 3 348.226 2.901 20 10 EFCDHM Cn1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000771055773 581169436 /nfs/dbraw/zinc/16/94/36/581169436.db2.gz FAOVGJJCRWPAIB-MRXNPFEDSA-N -1 3 347.846 2.779 20 10 EFCDHM CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772176065 581292578 /nfs/dbraw/zinc/29/25/78/581292578.db2.gz IEMUIRUHYBOXMY-INIZCTEOSA-N -1 3 343.339 2.895 20 10 EFCDHM COc1c([O-])c([C@H]2NC(=O)c3cc(Cl)ccc3N2)ccc1[N+](=O)[O-] ZINC000772178218 581292709 /nfs/dbraw/zinc/29/27/09/581292709.db2.gz NWIYWPGIRNPUNX-CQSZACIVSA-N -1 3 349.730 2.817 20 10 EFCDHM CCN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772176070 581292773 /nfs/dbraw/zinc/29/27/73/581292773.db2.gz IEMUIRUHYBOXMY-MRXNPFEDSA-N -1 3 343.339 2.895 20 10 EFCDHM COc1c([O-])c([C@H]2NC(=O)c3c(Cl)cccc3N2)ccc1[N+](=O)[O-] ZINC000772179466 581293024 /nfs/dbraw/zinc/29/30/24/581293024.db2.gz SKJHABCFQAZDSX-CQSZACIVSA-N -1 3 349.730 2.817 20 10 EFCDHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(N(C)C)cc1 ZINC000772997347 581386629 /nfs/dbraw/zinc/38/66/29/581386629.db2.gz HEJGNIJZKZDCTM-GFCCVEGCSA-N -1 3 336.395 2.892 20 10 EFCDHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773085506 581395235 /nfs/dbraw/zinc/39/52/35/581395235.db2.gz WSOROAUVQPEFPY-CYBMUJFWSA-N -1 3 336.461 2.570 20 10 EFCDHM C[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000773908997 581473263 /nfs/dbraw/zinc/47/32/63/581473263.db2.gz ZHYVZVPNCOCAMN-HTMJNSLASA-N -1 3 335.407 2.714 20 10 EFCDHM COc1c([O-])c(CNc2cccc([S@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000774934819 581504531 /nfs/dbraw/zinc/50/45/31/581504531.db2.gz TUBNPLTXDRKOTN-QHCPKHFHSA-N -1 3 336.369 2.659 20 10 EFCDHM Cc1cc(C(=O)N(C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227426 598610309 /nfs/dbraw/zinc/61/03/09/598610309.db2.gz LUCSOFXJNNGPEB-UHFFFAOYSA-N -1 3 336.399 2.509 20 10 EFCDHM Cc1cc(CNCc2ccc3c(c2)CCO3)cc(C)c1OCC(=O)[O-] ZINC000738392410 599735616 /nfs/dbraw/zinc/73/56/16/599735616.db2.gz MIICRKHOVFRZPD-UHFFFAOYSA-N -1 3 341.407 2.992 20 10 EFCDHM O=C([O-])c1ccoc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000740249438 600143802 /nfs/dbraw/zinc/14/38/02/600143802.db2.gz VTECESHCYIZPFD-CQSZACIVSA-N -1 3 331.368 2.865 20 10 EFCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC000826276729 608274932 /nfs/dbraw/zinc/27/49/32/608274932.db2.gz UDASUCHSQRVGNY-UHFFFAOYSA-N -1 3 335.415 2.782 20 10 EFCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC000826276729 608274933 /nfs/dbraw/zinc/27/49/33/608274933.db2.gz UDASUCHSQRVGNY-UHFFFAOYSA-N -1 3 335.415 2.782 20 10 EFCDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccccc3O)c2c1 ZINC000826263872 608375889 /nfs/dbraw/zinc/37/58/89/608375889.db2.gz TYFXORJKFWJZGF-UHFFFAOYSA-N -1 3 346.394 2.771 20 10 EFCDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccccc3O)c2c1 ZINC000826263872 608375892 /nfs/dbraw/zinc/37/58/92/608375892.db2.gz TYFXORJKFWJZGF-UHFFFAOYSA-N -1 3 346.394 2.771 20 10 EFCDHM COC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC)c1 ZINC000850361896 1250451151 /nfs/dbraw/zinc/45/11/51/1250451151.db2.gz GCVZIQCKHCKFCQ-INIZCTEOSA-N -1 3 332.356 2.786 20 10 EFCDHM C[C@@H](NCc1c([O-])cccc1Br)C(=O)OC(C)(C)C ZINC000707226868 1251265778 /nfs/dbraw/zinc/26/57/78/1251265778.db2.gz FYBBBQOPJBZXNO-SECBINFHSA-N -1 3 330.222 2.975 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCCC[C@@H]1C1OCCO1 ZINC000824682749 1278245157 /nfs/dbraw/zinc/24/51/57/1278245157.db2.gz JQNVABTTXHOHSU-CYBMUJFWSA-N -1 3 342.233 2.882 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCCC[C@H]1C1OCCO1 ZINC000824682750 1278246050 /nfs/dbraw/zinc/24/60/50/1278246050.db2.gz JQNVABTTXHOHSU-ZDUSSCGKSA-N -1 3 342.233 2.882 20 10 EFCDHM O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1c([O-])cccc1F ZINC001273265521 1265212071 /nfs/dbraw/zinc/21/20/71/1265212071.db2.gz HHQZHHMHAANFOC-HNNXBMFYSA-N -1 3 346.324 2.661 20 10 EFCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1Cl ZINC000824807203 1278293922 /nfs/dbraw/zinc/29/39/22/1278293922.db2.gz CQHLPGUIDLSRHB-ZBFHGGJFSA-N -1 3 343.876 2.896 20 10 EFCDHM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(O)c1[O-] ZINC000186789847 1267713688 /nfs/dbraw/zinc/71/36/88/1267713688.db2.gz RTNSMTHLOBVNPX-UHFFFAOYSA-N -1 3 337.379 2.830 20 10 EFCDHM C[C@H]1CS(=O)(=O)CCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739861412 1268766412 /nfs/dbraw/zinc/76/64/12/1268766412.db2.gz MOSHVHQCVUAQSA-LBPRGKRZSA-N -1 3 345.420 2.911 20 10 EFCDHM [O-]c1ccc2ccncc2c1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000739887409 1268771150 /nfs/dbraw/zinc/77/11/50/1268771150.db2.gz PTVQTCYGODLMDH-UHFFFAOYSA-N -1 3 349.316 2.567 20 10 EFCDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000740706258 1269031592 /nfs/dbraw/zinc/03/15/92/1269031592.db2.gz ULQMOTUFRIPEAW-UHFFFAOYSA-N -1 3 335.381 2.596 20 10 EFCDHM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(F)cc1[O-] ZINC001273379625 1269301796 /nfs/dbraw/zinc/30/17/96/1269301796.db2.gz YGXUCOXAHLYJLY-HZPDHXFCSA-N -1 3 338.398 2.892 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c1 ZINC000741257033 1269442506 /nfs/dbraw/zinc/44/25/06/1269442506.db2.gz BPBIIYAYIJFLKE-MRXNPFEDSA-N -1 3 326.352 2.684 20 10 EFCDHM Cc1cc([O-])c(CN[C@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000825366118 1278523324 /nfs/dbraw/zinc/52/33/24/1278523324.db2.gz SKDIHQRYMDQJBJ-AWEZNQCLSA-N -1 3 337.828 2.972 20 10 EFCDHM CN1C(=O)C2(CCCC2)N[C@H]1c1cc(Br)ccc1[O-] ZINC000742439053 1270064166 /nfs/dbraw/zinc/06/41/66/1270064166.db2.gz HIJOCWIHMIJSTL-GFCCVEGCSA-N -1 3 325.206 2.528 20 10 EFCDHM CCOC(=O)[C@H](CC1CC1)NCc1ccc(Br)cc1[O-] ZINC000825490123 1278565502 /nfs/dbraw/zinc/56/55/02/1278565502.db2.gz UTEMQVZLHMXWQT-ZDUSSCGKSA-N -1 3 342.233 2.976 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(c3ccnc(C)n3)CC2)cc1Cl ZINC000825514333 1278578898 /nfs/dbraw/zinc/57/88/98/1278578898.db2.gz NCHGQUFLGLCLRH-UHFFFAOYSA-N -1 3 332.835 2.775 20 10 EFCDHM CCOC(=O)[C@H]1CCCN1Cc1ccc(Br)cc1[O-] ZINC000825526087 1278584969 /nfs/dbraw/zinc/58/49/69/1278584969.db2.gz NJQITOIBZLNXBA-GFCCVEGCSA-N -1 3 328.206 2.682 20 10 EFCDHM COC(=O)CN(Cc1cccc(C)n1)Cc1cc(Cl)ccc1[O-] ZINC000745984592 1271710513 /nfs/dbraw/zinc/71/05/13/1271710513.db2.gz UUHTUTXDROVLGM-UHFFFAOYSA-N -1 3 334.803 2.924 20 10 EFCDHM C[C@@H](NCc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC000707255695 1275485135 /nfs/dbraw/zinc/48/51/35/1275485135.db2.gz UVIVQBKSFGANQX-SECBINFHSA-N -1 3 330.222 2.975 20 10 EFCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])C[C@](C)(C(F)(F)F)O1 ZINC000818182382 1276499202 /nfs/dbraw/zinc/49/92/02/1276499202.db2.gz JVCQPSYKEZWJOH-CQSZACIVSA-N -1 3 333.306 2.670 20 10 EFCDHM COc1ccc(N2CC[C@H](CNC(=O)c3ccccc3[O-])C2)cc1 ZINC000819583770 1276827171 /nfs/dbraw/zinc/82/71/71/1276827171.db2.gz VYORFQRTUQXOFH-CQSZACIVSA-N -1 3 326.396 2.657 20 10 EFCDHM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000187098983 1276980444 /nfs/dbraw/zinc/98/04/44/1276980444.db2.gz JIMWMOOONDBVNE-INIZCTEOSA-N -1 3 329.396 2.859 20 10 EFCDHM C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000789870549 1277065847 /nfs/dbraw/zinc/06/58/47/1277065847.db2.gz RRZPMDNNXXRBIS-LBPRGKRZSA-N -1 3 330.359 2.588 20 10 EFCDHM O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1ccc(Cl)cc1[O-] ZINC001273164404 1277157013 /nfs/dbraw/zinc/15/70/13/1277157013.db2.gz VITJNXQXDHAXPY-INIZCTEOSA-N -1 3 344.789 2.878 20 10 EFCDHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000790324996 1277427290 /nfs/dbraw/zinc/42/72/90/1277427290.db2.gz GHEWNPMGEUKOGX-CABCVRRESA-N -1 3 342.443 2.739 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000790415256 1277527707 /nfs/dbraw/zinc/52/77/07/1277527707.db2.gz CUJSASBHUCVKCE-UHFFFAOYSA-N -1 3 349.408 2.850 20 10 EFCDHM COC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1 ZINC000790823033 1277799211 /nfs/dbraw/zinc/79/92/11/1277799211.db2.gz SKEAPMRREASGKY-CYBMUJFWSA-N -1 3 349.770 2.785 20 10 EFCDHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790933184 1277853379 /nfs/dbraw/zinc/85/33/79/1277853379.db2.gz PGHBMASUHDMUMB-LLVKDONJSA-N -1 3 329.352 2.702 20 10 EFCDHM COc1c([O-])c(CNc2cccc(N3CCC3=O)c2)ccc1[N+](=O)[O-] ZINC000790942717 1277891270 /nfs/dbraw/zinc/89/12/70/1277891270.db2.gz BWENIHJIBXHZPQ-UHFFFAOYSA-N -1 3 343.339 2.658 20 10 EFCDHM O=C(CCC(=O)C1CC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144228368 1279276844 /nfs/dbraw/zinc/27/68/44/1279276844.db2.gz BTSYNQMDQFQHFF-UHFFFAOYSA-N -1 3 332.787 2.969 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H](O)[C@H](F)CC1 ZINC001144299132 1279387582 /nfs/dbraw/zinc/38/75/82/1279387582.db2.gz QBXWBNMXNFMNCP-ZYHUDNBSSA-N -1 3 336.176 2.589 20 10 EFCDHM CC(C)N1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298641 1279386754 /nfs/dbraw/zinc/38/67/54/1279386754.db2.gz HOHWWTLUSOFMJG-UHFFFAOYSA-N -1 3 331.229 2.820 20 10 EFCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H](O)[C@@H](F)CC1 ZINC001144299127 1279387874 /nfs/dbraw/zinc/38/78/74/1279387874.db2.gz QBXWBNMXNFMNCP-CMPLNLGQSA-N -1 3 336.176 2.589 20 10 EFCDHM [O-]c1c(Br)cccc1CNc1cnccc1-n1ccnn1 ZINC000808426099 1279476719 /nfs/dbraw/zinc/47/67/19/1279476719.db2.gz OFUJPCXCLPUJOX-UHFFFAOYSA-N -1 3 346.188 2.743 20 10 EFCDHM O=C1CNC(=O)N1c1cc(NCc2c([O-])cccc2Cl)ccc1F ZINC000793359432 1279567990 /nfs/dbraw/zinc/56/79/90/1279567990.db2.gz VIHQJPMGFBDIDP-UHFFFAOYSA-N -1 3 349.749 2.853 20 10 EFCDHM C[C@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)C1 ZINC000793585589 1279757650 /nfs/dbraw/zinc/75/76/50/1279757650.db2.gz BTIZOMGHYLXONE-MNOVXSKESA-N -1 3 333.259 2.586 20 10 EFCDHM Cc1cc(=O)oc2cc(N(C)C(=O)c3cccc(O)c3[O-])ccc12 ZINC000805355421 1280525677 /nfs/dbraw/zinc/52/56/77/1280525677.db2.gz SSRHWEJZHFUEJX-UHFFFAOYSA-N -1 3 325.320 2.789 20 10 EFCDHM Cc1nc(NC(=O)c2cccc(O)c2[O-])nc(C)c1Br ZINC001148212764 1281453833 /nfs/dbraw/zinc/45/38/33/1281453833.db2.gz KYYCFFRCKREPEG-UHFFFAOYSA-N -1 3 338.161 2.519 20 10 EFCDHM CC1(C)COC(c2ccccc2NC(=O)c2cccc(O)c2[O-])=N1 ZINC001148218733 1281456840 /nfs/dbraw/zinc/45/68/40/1281456840.db2.gz JCYUEYFUHXUHBM-UHFFFAOYSA-N -1 3 326.352 2.906 20 10 EFCDHM O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)c1cccc(O)c1[O-] ZINC001148220185 1281456874 /nfs/dbraw/zinc/45/68/74/1281456874.db2.gz WPGRLJRVOPGAIN-UHFFFAOYSA-N -1 3 345.786 2.990 20 10 EFCDHM CC1(C)NC(=O)Nc2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC001148218663 1281457385 /nfs/dbraw/zinc/45/73/85/1281457385.db2.gz FSXPPPCKECNAAJ-UHFFFAOYSA-N -1 3 327.340 2.720 20 10 EFCDHM CC1(C)CC(=O)Nc2c(NC(=O)c3cccc(O)c3[O-])cccc21 ZINC001148218432 1281457815 /nfs/dbraw/zinc/45/78/15/1281457815.db2.gz BBQZICDONVCNLM-UHFFFAOYSA-N -1 3 326.352 2.970 20 10 EFCDHM O=C(Nc1nc(F)c(F)c(Cl)c1F)c1cc(O)c([O-])c(O)c1 ZINC001148582573 1281659303 /nfs/dbraw/zinc/65/93/03/1281659303.db2.gz LNHZPGTWAPEDNP-UHFFFAOYSA-N -1 3 334.637 2.521 20 10 EFCDHM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1cc(O)c([O-])c(O)c1 ZINC001148582138 1281659480 /nfs/dbraw/zinc/65/94/80/1281659480.db2.gz YJYARVNBNBKSKB-UHFFFAOYSA-N -1 3 330.271 2.850 20 10 EFCDHM O=C(Nc1ccc(OC2CCOCC2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148586719 1281662260 /nfs/dbraw/zinc/66/22/60/1281662260.db2.gz VINSSSVTPFMLNY-UHFFFAOYSA-N -1 3 345.351 2.614 20 10 EFCDHM COc1cnc2c(cccc2NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586120 1281662282 /nfs/dbraw/zinc/66/22/82/1281662282.db2.gz JWSQTQQQMXPDHD-UHFFFAOYSA-N -1 3 326.308 2.613 20 10 EFCDHM O=C(NCC1(CC2CCC2)CCOCC1)c1cc(O)c([O-])c(O)c1 ZINC001148590799 1281663851 /nfs/dbraw/zinc/66/38/51/1281663851.db2.gz QEHFLJGEBHDRPQ-UHFFFAOYSA-N -1 3 335.400 2.520 20 10 EFCDHM CN(Cc1cccc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC000809750957 1282454821 /nfs/dbraw/zinc/45/48/21/1282454821.db2.gz KKXBUQODBDAHKR-VIFPVBQESA-N -1 3 328.128 2.510 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2CC(S(C)(=O)=O)C2)cc1Cl ZINC001248883293 1286101881 /nfs/dbraw/zinc/10/18/81/1286101881.db2.gz DLXNFKADFGAOQF-UHFFFAOYSA-N -1 3 331.865 2.572 20 10 EFCDHM CNC(=O)Oc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000814175833 1286358330 /nfs/dbraw/zinc/35/83/30/1286358330.db2.gz ZRGFRNSUQJSNLI-UHFFFAOYSA-N -1 3 347.327 2.639 20 10 EFCDHM CC[C@H]1CN(Cc2ccc3ccccc3c2[O-])C[C@H](C)S1(=O)=O ZINC000816609461 1288223842 /nfs/dbraw/zinc/22/38/42/1288223842.db2.gz CHONAICZEUWAGR-BBRMVZONSA-N -1 3 333.453 2.943 20 10 EFCDHM CN(C)C(=O)OC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000816654615 1288229682 /nfs/dbraw/zinc/22/96/82/1288229682.db2.gz QBZXSECQWRJXIQ-UHFFFAOYSA-N -1 3 330.787 2.847 20 10 EFCDHM COCc1cc(NC(=O)c2ccc(C)c(O)c2[O-])cc(C(=O)OC)c1 ZINC000817013202 1288373544 /nfs/dbraw/zinc/37/35/44/1288373544.db2.gz BCHSZEXBUHILHG-UHFFFAOYSA-N -1 3 345.351 2.592 20 10 EFCDHM O=C(COc1ccccn1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177636849 1288499005 /nfs/dbraw/zinc/49/90/05/1288499005.db2.gz BEPGOKGVXJFLCU-UHFFFAOYSA-N -1 3 343.770 2.684 20 10 EFCDHM COC(=O)NC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000852769485 1299878909 /nfs/dbraw/zinc/87/89/09/1299878909.db2.gz WDQALTWNSWGMKY-UHFFFAOYSA-N -1 3 340.807 2.569 20 10 EFCDHM CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000817659205 1288687548 /nfs/dbraw/zinc/68/75/48/1288687548.db2.gz RUUBGFOTKUAYCT-UHFFFAOYSA-N -1 3 338.404 2.521 20 10 EFCDHM CCOC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCOC1 ZINC000825671786 1289701871 /nfs/dbraw/zinc/70/18/71/1289701871.db2.gz PJUATQRTGVUHBO-WBMJQRKESA-N -1 3 341.835 2.802 20 10 EFCDHM Cc1cc([O-])c(CN(CC(=O)N(C)C)CC(F)(F)F)cc1Cl ZINC000824593447 1289714034 /nfs/dbraw/zinc/71/40/34/1289714034.db2.gz ODLRAEWFDOYXPR-UHFFFAOYSA-N -1 3 338.757 2.807 20 10 EFCDHM CCOC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])c(F)cc1C ZINC000803556023 1312798821 /nfs/dbraw/zinc/79/88/21/1312798821.db2.gz WLPXLSGALITZIV-UHFFFAOYSA-N -1 3 333.315 2.974 20 10 EFCDHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000825849429 1290813615 /nfs/dbraw/zinc/81/36/15/1290813615.db2.gz HFBWKLXPZCPVJN-CQSZACIVSA-N -1 3 344.386 2.631 20 10 EFCDHM CC1CCC(N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)CC1 ZINC000825869328 1290895076 /nfs/dbraw/zinc/89/50/76/1290895076.db2.gz XZBOBKICKCWUEZ-UHFFFAOYSA-N -1 3 336.407 2.573 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CC(C(F)F)C1 ZINC001232977682 1312824028 /nfs/dbraw/zinc/82/40/28/1312824028.db2.gz IUIMMAGZSUESAW-UHFFFAOYSA-N -1 3 339.123 2.694 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CCC(F)CC1 ZINC001232975260 1312824083 /nfs/dbraw/zinc/82/40/83/1312824083.db2.gz YBMBULYPGMKARO-UHFFFAOYSA-N -1 3 335.160 2.931 20 10 EFCDHM COC(=O)CN(Cc1scnc1C)Cc1cc(Cl)ccc1[O-] ZINC000093277153 1291098744 /nfs/dbraw/zinc/09/87/44/1291098744.db2.gz VYHSQGNFFLCYQE-UHFFFAOYSA-N -1 3 340.832 2.986 20 10 EFCDHM C[C@H]1CN(Cc2c([O-])cc(Br)cc2F)CCC[C@@H]1O ZINC001233029017 1312836483 /nfs/dbraw/zinc/83/64/83/1312836483.db2.gz YEYKCIPBOXNPPW-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CCN2CCCC[C@H]2C1 ZINC001233030742 1312836591 /nfs/dbraw/zinc/83/65/91/1312836591.db2.gz LXAKKXOKKOMSHL-LBPRGKRZSA-N -1 3 343.240 2.964 20 10 EFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000093817721 1291218485 /nfs/dbraw/zinc/21/84/85/1291218485.db2.gz RDUVBTSMCKBEKD-LBPRGKRZSA-N -1 3 345.270 2.853 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1[nH]ncc1Cl ZINC001187846359 1291245467 /nfs/dbraw/zinc/24/54/67/1291245467.db2.gz UMVWLNUDYPBYEG-UHFFFAOYSA-N -1 3 337.166 2.900 20 10 EFCDHM CC(C)n1cnc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001188043875 1291287824 /nfs/dbraw/zinc/28/78/24/1291287824.db2.gz ZBGPXZRWFUKXHS-UHFFFAOYSA-N -1 3 345.790 2.696 20 10 EFCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])C1CCC1 ZINC001188152979 1291321716 /nfs/dbraw/zinc/32/17/16/1291321716.db2.gz MDMSFWRHUHSTDU-UHFFFAOYSA-N -1 3 326.805 2.566 20 10 EFCDHM CC(=O)NC[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000877674237 1291325065 /nfs/dbraw/zinc/32/50/65/1291325065.db2.gz LDSURGJBXRRLFF-ZDUSSCGKSA-N -1 3 341.249 2.645 20 10 EFCDHM Cc1nccnc1O[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079613 1312850384 /nfs/dbraw/zinc/85/03/84/1312850384.db2.gz HDPCBMCZZKQEFT-CYBMUJFWSA-N -1 3 335.354 2.812 20 10 EFCDHM COc1cccnc1O[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079886 1312850786 /nfs/dbraw/zinc/85/07/86/1312850786.db2.gz MSBHZGCSYUAJAK-LBPRGKRZSA-N -1 3 336.338 2.727 20 10 EFCDHM Cc1cc(O[C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)ncn1 ZINC001233079639 1312851204 /nfs/dbraw/zinc/85/12/04/1312851204.db2.gz IGVRGXRAJCDVFB-CYBMUJFWSA-N -1 3 335.354 2.812 20 10 EFCDHM CCCOC1CN(Cc2cc(Br)c(OC)cc2[O-])C1 ZINC001233139871 1312864062 /nfs/dbraw/zinc/86/40/62/1312864062.db2.gz SDRQGOMWMHOWAX-UHFFFAOYSA-N -1 3 330.222 2.774 20 10 EFCDHM CCN(Cc1cc(Br)c(OC)cc1[O-])[C@@H](C)C(=O)OC ZINC001233141483 1312864659 /nfs/dbraw/zinc/86/46/59/1312864659.db2.gz IHQVXXQPZKRZRN-VIFPVBQESA-N -1 3 346.221 2.547 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H](C)OC[C@@H]2C)cc1Br ZINC001233141527 1312865234 /nfs/dbraw/zinc/86/52/34/1312865234.db2.gz JGHNMRRERQSHBI-VHSXEESVSA-N -1 3 330.222 2.773 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001233332638 1312904984 /nfs/dbraw/zinc/90/49/84/1312904984.db2.gz RZPIHSUMXQUYFU-MWLCHTKSSA-N -1 3 325.277 2.806 20 10 EFCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001233332444 1312905324 /nfs/dbraw/zinc/90/53/24/1312905324.db2.gz LMYAGULFTKTPKX-AAEUAGOBSA-N -1 3 343.267 2.898 20 10 EFCDHM O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1c([O-])ccc(F)c1F)C2 ZINC001233334469 1312905820 /nfs/dbraw/zinc/90/58/20/1312905820.db2.gz IFKQEFVKQQZEFV-RYUDHWBXSA-N -1 3 348.349 2.610 20 10 EFCDHM CC(C)C(=O)N1CCC[C@]12CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233334386 1312906420 /nfs/dbraw/zinc/90/64/20/1312906420.db2.gz DQBBJMRYTVLQTG-GOSISDBHSA-N -1 3 338.398 2.893 20 10 EFCDHM O=C1OC2(CCN(Cc3c([O-])ccc(F)c3F)CC2)c2cccnc21 ZINC001233335559 1312906782 /nfs/dbraw/zinc/90/67/82/1312906782.db2.gz AWGYZLPULSCYQN-UHFFFAOYSA-N -1 3 346.333 2.727 20 10 EFCDHM [O-]c1c(CN2CCC[C@H](n3ccnn3)C2)cccc1C(F)(F)F ZINC001233419734 1312928690 /nfs/dbraw/zinc/92/86/90/1312928690.db2.gz KQUCDPNCAMTMND-LBPRGKRZSA-N -1 3 326.322 2.840 20 10 EFCDHM O=C1CCCN1C1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419444 1312929055 /nfs/dbraw/zinc/92/90/55/1312929055.db2.gz XWQTUPMBAKDSHR-UHFFFAOYSA-N -1 3 342.361 2.998 20 10 EFCDHM O=C1CN(Cc2ccc(C(F)(F)F)cc2[O-])CC2(CCCC2)N1 ZINC001233455219 1312935933 /nfs/dbraw/zinc/93/59/33/1312935933.db2.gz BCGWLIFIPXVTBD-UHFFFAOYSA-N -1 3 328.334 2.656 20 10 EFCDHM CC(=O)c1cc(Cl)cc(Cn2cc(C(=O)C3CCC3)nn2)c1[O-] ZINC000880999336 1292715257 /nfs/dbraw/zinc/71/52/57/1292715257.db2.gz LHEXBILYCRLPOC-UHFFFAOYSA-N -1 3 333.775 2.871 20 10 EFCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001203651477 1312980892 /nfs/dbraw/zinc/98/08/92/1312980892.db2.gz PXACEMBLKUCFLR-RYUDHWBXSA-N -1 3 327.705 2.883 20 10 EFCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cnn(C)c21 ZINC001203656148 1312982275 /nfs/dbraw/zinc/98/22/75/1312982275.db2.gz JNSBJFSXLJBDKY-AWEZNQCLSA-N -1 3 335.835 2.915 20 10 EFCDHM CC(C)NC(=O)c1noc2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203657860 1312982622 /nfs/dbraw/zinc/98/26/22/1312982622.db2.gz OCHQJRFTCALMOV-UHFFFAOYSA-N -1 3 349.818 2.730 20 10 EFCDHM O=C(Nc1ccnn1-c1ccncc1)c1ccc(O)c([O-])c1Cl ZINC001193220800 1293201972 /nfs/dbraw/zinc/20/19/72/1293201972.db2.gz XKZIOOQYWUZLFS-UHFFFAOYSA-N -1 3 330.731 2.584 20 10 EFCDHM CN(C)C(=O)C[C@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882919868 1293383989 /nfs/dbraw/zinc/38/39/89/1293383989.db2.gz UTDRTRHRNZIWRK-INIZCTEOSA-N -1 3 334.366 2.980 20 10 EFCDHM O=C(CNCc1cc(F)cc(F)c1[O-])N1CCCc2ccccc21 ZINC000882932821 1293391363 /nfs/dbraw/zinc/39/13/63/1293391363.db2.gz PUORQTKJQHVEEI-UHFFFAOYSA-N -1 3 332.350 2.739 20 10 EFCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])C(=O)NCCc1ccccc1 ZINC000883140598 1293478962 /nfs/dbraw/zinc/47/89/62/1293478962.db2.gz YXMXDUNZFVPVKM-GFCCVEGCSA-N -1 3 334.366 2.507 20 10 EFCDHM Cc1cnc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001194078130 1293516855 /nfs/dbraw/zinc/51/68/55/1293516855.db2.gz YEGDIXWTKYONNT-UHFFFAOYSA-N -1 3 328.759 2.622 20 10 EFCDHM Cc1cnc(C)c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001194921166 1293746565 /nfs/dbraw/zinc/74/65/65/1293746565.db2.gz CHFDKNPBBVVWOP-UHFFFAOYSA-N -1 3 342.786 2.931 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1c[nH]nc1Cl ZINC001194962577 1293756385 /nfs/dbraw/zinc/75/63/85/1293756385.db2.gz WFLRXRLKXWHVKI-UHFFFAOYSA-N -1 3 337.166 2.900 20 10 EFCDHM CCCCN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000775643344 1293831428 /nfs/dbraw/zinc/83/14/28/1293831428.db2.gz VJGCSOBLOLDSNG-CYBMUJFWSA-N -1 3 349.855 2.974 20 10 EFCDHM COc1cnc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])o1 ZINC001195802501 1294040747 /nfs/dbraw/zinc/04/07/47/1294040747.db2.gz BYPKMBWWNYQMPC-UHFFFAOYSA-N -1 3 333.731 2.520 20 10 EFCDHM O=S(=O)(Nc1ccc(O)cc1Br)c1ccc([O-])cc1 ZINC001195802620 1294041069 /nfs/dbraw/zinc/04/10/69/1294041069.db2.gz HCBKTCRDNRUFPM-UHFFFAOYSA-N -1 3 344.186 2.661 20 10 EFCDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000775717071 1294230132 /nfs/dbraw/zinc/23/01/32/1294230132.db2.gz QZHXWDSCVGQTAE-KBPBESRZSA-N -1 3 349.855 2.972 20 10 EFCDHM COc1ccc(Cn2cc(NC(=O)c3cccc(O)c3[O-])cn2)cc1 ZINC000803727178 1313061860 /nfs/dbraw/zinc/06/18/60/1313061860.db2.gz ZLWWGCPJILOPKV-UHFFFAOYSA-N -1 3 339.351 2.604 20 10 EFCDHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c1 ZINC000884894669 1294280400 /nfs/dbraw/zinc/28/04/00/1294280400.db2.gz XXRLFZDQXBEGEA-UHFFFAOYSA-N -1 3 339.848 2.588 20 10 EFCDHM O=S(=O)(Cc1cccnc1)[N-]c1ccc(O)cc1C(F)(F)F ZINC001197463717 1294557081 /nfs/dbraw/zinc/55/70/81/1294557081.db2.gz BNQVGASATVNHCO-UHFFFAOYSA-N -1 3 332.303 2.748 20 10 EFCDHM C[C@H](NCc1c(Br)cnn1C)c1c([O-])cccc1F ZINC000886645203 1295087011 /nfs/dbraw/zinc/08/70/11/1295087011.db2.gz SVXVQZNLGCLAHG-QMMMGPOBSA-N -1 3 328.185 2.878 20 10 EFCDHM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001234477638 1313136374 /nfs/dbraw/zinc/13/63/74/1313136374.db2.gz UXHGUAVUKVERSJ-TZMCWYRMSA-N -1 3 342.395 2.910 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCC[C@H]1O ZINC001235057519 1313233970 /nfs/dbraw/zinc/23/39/70/1313233970.db2.gz QCNDZIKSLXBEBQ-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])CCC[C@H]1O ZINC001235296075 1313283824 /nfs/dbraw/zinc/28/38/24/1313283824.db2.gz HEYZQYJUQHPZAE-NOZJJQNGSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@H]1CN(Cc2cc(F)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001235299344 1313285084 /nfs/dbraw/zinc/28/50/84/1313285084.db2.gz UJBFDBWWWJZEAS-LKFCYVNXSA-N -1 3 332.213 2.887 20 10 EFCDHM CN1CCN(Cc2cc(F)cc(Br)c2[O-])CC1(C)C ZINC001235302228 1313285884 /nfs/dbraw/zinc/28/58/84/1313285884.db2.gz KMGMGDOQLXISOY-UHFFFAOYSA-N -1 3 331.229 2.820 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@H]2OCC[C@H]2C1 ZINC001235305549 1313286878 /nfs/dbraw/zinc/28/68/78/1313286878.db2.gz NJWRDLDJSDNTSE-TVQRCGJNSA-N -1 3 330.197 2.905 20 10 EFCDHM O=C(Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1)c1ccncc1 ZINC000776330674 1297701918 /nfs/dbraw/zinc/70/19/18/1297701918.db2.gz OINGDWJFDYKVGB-UHFFFAOYSA-N -1 3 349.346 2.997 20 10 EFCDHM O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(O)c1[O-] ZINC000776339599 1297795827 /nfs/dbraw/zinc/79/58/27/1297795827.db2.gz UBEYSURLKUSJHL-KRWDZBQOSA-N -1 3 341.363 2.750 20 10 EFCDHM N[C@@]1(C(F)(F)F)CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001206244739 1313425255 /nfs/dbraw/zinc/42/52/55/1313425255.db2.gz MKLIPTCPFSFORA-NSHDSACASA-N -1 3 328.256 2.877 20 10 EFCDHM COc1ccc(-c2nnc(NC(=O)c3cccc(O)c3[O-])s2)cc1 ZINC000776357158 1297963826 /nfs/dbraw/zinc/96/38/26/1297963826.db2.gz JMGKUGJKVRCWST-UHFFFAOYSA-N -1 3 343.364 2.877 20 10 EFCDHM CCOC(=O)NC1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236809449 1313533695 /nfs/dbraw/zinc/53/36/95/1313533695.db2.gz MYPYEYFITOXCCH-UHFFFAOYSA-N -1 3 342.823 2.765 20 10 EFCDHM COc1ccc(CN2CCC(Oc3ccncn3)CC2)c([O-])c1Cl ZINC001236808752 1313533640 /nfs/dbraw/zinc/53/36/40/1313533640.db2.gz IYMMWVXPNRJQKT-UHFFFAOYSA-N -1 3 349.818 2.888 20 10 EFCDHM COc1ccc(CN2CC[C@](CO)(C(F)(F)F)C2)c([O-])c1Cl ZINC001236803557 1313531831 /nfs/dbraw/zinc/53/18/31/1313531831.db2.gz VFIOIGMYTBPITK-ZDUSSCGKSA-N -1 3 339.741 2.801 20 10 EFCDHM COc1ccc(CN2CCC[C@@H](Oc3cnccn3)C2)c([O-])c1Cl ZINC001236810319 1313534548 /nfs/dbraw/zinc/53/45/48/1313534548.db2.gz SZHYFDBLTMMKNZ-CYBMUJFWSA-N -1 3 349.818 2.888 20 10 EFCDHM COc1ccc(CN2CCCN(c3ncccn3)CC2)c([O-])c1Cl ZINC001236812220 1313535378 /nfs/dbraw/zinc/53/53/78/1313535378.db2.gz TYBSTMIBLQXOAA-UHFFFAOYSA-N -1 3 348.834 2.557 20 10 EFCDHM COc1ccc(CN2CC[C@H](Oc3nccc(C)n3)C2)c([O-])c1Cl ZINC001236817115 1313535930 /nfs/dbraw/zinc/53/59/30/1313535930.db2.gz CUXNGFVAXKIDCX-ZDUSSCGKSA-N -1 3 349.818 2.806 20 10 EFCDHM COc1cc([O-])c(CN2CC3(C2)CCCOC3)c(Br)c1 ZINC001237065311 1313580407 /nfs/dbraw/zinc/58/04/07/1313580407.db2.gz MWEKMRHQUGYACJ-UHFFFAOYSA-N -1 3 342.233 2.776 20 10 EFCDHM COc1cc([O-])c(CN2CC3(C2)CCCCO3)c(Br)c1 ZINC001237066451 1313580797 /nfs/dbraw/zinc/58/07/97/1313580797.db2.gz VWKVJKACFARKCG-UHFFFAOYSA-N -1 3 342.233 2.918 20 10 EFCDHM CN(C1CN(Cc2c([O-])ccc(Cl)c2Cl)C1)[C@@H]1CCOC1 ZINC001237082063 1313584346 /nfs/dbraw/zinc/58/43/46/1313584346.db2.gz POLUNDULJZVNEK-SNVBAGLBSA-N -1 3 331.243 2.604 20 10 EFCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001237122757 1313590609 /nfs/dbraw/zinc/59/06/09/1313590609.db2.gz XZULSRAHWVXMAW-APPZFPTMSA-N -1 3 327.705 2.787 20 10 EFCDHM COC(=O)[C@@]1(NCc2cc(F)cc(C(C)=O)c2[O-])CC[C@@H](C)CC1 ZINC000852471956 1299716753 /nfs/dbraw/zinc/71/67/53/1299716753.db2.gz QEFSMHNPSWTYIC-CKSWESSHSA-N -1 3 337.391 2.945 20 10 EFCDHM CCOc1cc(CCCNC(=O)c2cccc(O)c2[O-])ccc1OC ZINC000776658222 1300091126 /nfs/dbraw/zinc/09/11/26/1300091126.db2.gz PPPJUACCFXKUES-UHFFFAOYSA-N -1 3 345.395 2.868 20 10 EFCDHM CC(C)(C)c1nnc2n1CCN(Cc1c([O-])ccc3ccncc31)C2 ZINC000853615263 1300195528 /nfs/dbraw/zinc/19/55/28/1300195528.db2.gz CIUDCZCLXJFDMS-UHFFFAOYSA-N -1 3 337.427 2.845 20 10 EFCDHM Cc1ccnc(O[C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC001237623371 1313679397 /nfs/dbraw/zinc/67/93/97/1313679397.db2.gz CSSHGUDXAWDQHH-ZDUSSCGKSA-N -1 3 337.782 2.936 20 10 EFCDHM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(Br)c(C)cc1[O-] ZINC001237678141 1313689815 /nfs/dbraw/zinc/68/98/15/1313689815.db2.gz VAVNHVQBCCUJEW-JQWIXIFHSA-N -1 3 346.196 2.549 20 10 EFCDHM Cc1cc([O-])c(CN2CC(N3CC[C@H](F)C3)C2)cc1Br ZINC001237680310 1313690059 /nfs/dbraw/zinc/69/00/59/1313690059.db2.gz BIQALKHFFACCCH-LBPRGKRZSA-N -1 3 343.240 2.691 20 10 EFCDHM Cc1cc([O-])c(CN2CCCC(=O)[C@@H](F)C2)cc1Br ZINC001237678160 1313690213 /nfs/dbraw/zinc/69/02/13/1313690213.db2.gz VIVPQTQAZNAGRX-LBPRGKRZSA-N -1 3 330.197 2.966 20 10 EFCDHM CC(=O)N1CCN(Cc2cc(Br)c(C)cc2[O-])[C@@H](C)C1 ZINC001237682851 1313690724 /nfs/dbraw/zinc/69/07/24/1313690724.db2.gz TZMJPUCMHIKAIC-NSHDSACASA-N -1 3 341.249 2.516 20 10 EFCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1C ZINC000776748317 1300612010 /nfs/dbraw/zinc/61/20/10/1300612010.db2.gz AANHASDPBRREKO-UHFFFAOYSA-N -1 3 335.381 2.596 20 10 EFCDHM [O-]c1c(Cl)cc(F)cc1CN1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001237801467 1313708205 /nfs/dbraw/zinc/70/82/05/1313708205.db2.gz UNKOLKFGTOGPGE-BETUJISGSA-N -1 3 348.809 2.543 20 10 EFCDHM COc1ncnc2c1CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237802001 1313709246 /nfs/dbraw/zinc/70/92/46/1313709246.db2.gz YYFXPRKQCHXASM-UHFFFAOYSA-N -1 3 337.782 2.584 20 10 EFCDHM O=C1CCC[C@@]2(CCCN(Cc3cc(F)c(Cl)cc3[O-])C2)N1 ZINC001237938298 1313733502 /nfs/dbraw/zinc/73/35/02/1313733502.db2.gz WQGYKDXYRXVTHK-INIZCTEOSA-N -1 3 326.799 2.819 20 10 EFCDHM CN(C)C(=O)[C@@H]1CC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237935505 1313733820 /nfs/dbraw/zinc/73/38/20/1313733820.db2.gz BGLFJLMJPWJQRX-LBPRGKRZSA-N -1 3 340.826 2.875 20 10 EFCDHM Cc1ccnc(O[C@@H]2CCN(Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237941619 1313734875 /nfs/dbraw/zinc/73/48/75/1313734875.db2.gz ZIHQKZIHBHTUGX-GFCCVEGCSA-N -1 3 337.782 2.936 20 10 EFCDHM CC(C)[C@@H](NCc1cccc(Br)c1[O-])c1nncn1C ZINC000796453405 1301705837 /nfs/dbraw/zinc/70/58/37/1301705837.db2.gz GXBGSEYLXNJBHF-GFCCVEGCSA-N -1 3 339.237 2.770 20 10 EFCDHM CC(C)[C@H](NCc1cccc(Br)c1[O-])c1nncn1C ZINC000796453411 1301706709 /nfs/dbraw/zinc/70/67/09/1301706709.db2.gz GXBGSEYLXNJBHF-LBPRGKRZSA-N -1 3 339.237 2.770 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000862251762 1302322865 /nfs/dbraw/zinc/32/28/65/1302322865.db2.gz MPNQQEJGJFTEFK-CABCVRRESA-N -1 3 342.233 2.535 20 10 EFCDHM C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1c([O-])cccc1Br ZINC000862330982 1302334090 /nfs/dbraw/zinc/33/40/90/1302334090.db2.gz FLTHGGTVEWPGOJ-JTQLQIEISA-N -1 3 343.265 2.890 20 10 EFCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@]2(CCOC2)O1 ZINC000862351789 1302341233 /nfs/dbraw/zinc/34/12/33/1302341233.db2.gz UXLKLSLTZORHTQ-NHYWBVRUSA-N -1 3 342.233 2.535 20 10 EFCDHM CN(Cc1c([O-])cccc1Br)[C@H]1CC(C)(C)OC1=O ZINC000862375755 1302355301 /nfs/dbraw/zinc/35/53/01/1302355301.db2.gz CBXBXOUGGFINKS-NSHDSACASA-N -1 3 328.206 2.681 20 10 EFCDHM Cn1ncc2c1CCCN(Cc1c([O-])cccc1Br)C2 ZINC000862391446 1302364471 /nfs/dbraw/zinc/36/44/71/1302364471.db2.gz CKNNELRZWRKAJG-UHFFFAOYSA-N -1 3 336.233 2.837 20 10 EFCDHM Cc1noc(NC(=O)[C@]23C[C@H]2CCN3Cc2cc(F)ccc2[O-])c1C ZINC001278248693 1313844605 /nfs/dbraw/zinc/84/46/05/1313844605.db2.gz MAJCPBYTVLEAJJ-ACJLOTCBSA-N -1 3 345.374 2.739 20 10 EFCDHM CCCSC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864506643 1302954210 /nfs/dbraw/zinc/95/42/10/1302954210.db2.gz XKWOTUPNKBNEBP-CYBMUJFWSA-N -1 3 332.416 2.717 20 10 EFCDHM CN(C)c1cc(F)c(CNCCc2nc(C(=O)[O-])cs2)cc1F ZINC000864524110 1302961150 /nfs/dbraw/zinc/96/11/50/1302961150.db2.gz QJOSTOXHWAXXKX-UHFFFAOYSA-N -1 3 341.383 2.518 20 10 EFCDHM O=C1NCCN(Cc2c([O-])ccc3ccncc32)[C@H]1c1ccccc1 ZINC000748794585 1314130828 /nfs/dbraw/zinc/13/08/28/1314130828.db2.gz LKLCJEQPEZETRK-IBGZPJMESA-N -1 3 333.391 2.614 20 10 EFCDHM CC(C)(C)n1ncnc1CNCc1cccc(Br)c1[O-] ZINC000800293822 1307668922 /nfs/dbraw/zinc/66/89/22/1307668922.db2.gz MCWFNJFIKSBGHA-UHFFFAOYSA-N -1 3 339.237 2.791 20 10 EFCDHM COC(=O)CN(CCOCC(C)C)Cc1cc(Cl)ccc1[O-] ZINC000800355731 1307749476 /nfs/dbraw/zinc/74/94/76/1307749476.db2.gz KWUVDXQUJBSETM-UHFFFAOYSA-N -1 3 329.824 2.693 20 10 EFCDHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000145441956 1308582807 /nfs/dbraw/zinc/58/28/07/1308582807.db2.gz VZZBTDGXSGZEJF-AWEZNQCLSA-N -1 3 326.396 2.720 20 10 EFCDHM CCOC(=O)[C@@H](NCc1c([O-])cccc1Br)C1CC1 ZINC001330098050 1311200026 /nfs/dbraw/zinc/20/00/26/1311200026.db2.gz IJVGEIPORPAHPP-ZDUSSCGKSA-N -1 3 328.206 2.586 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC3CC4(COC4)C3)cccc21 ZINC001226380468 1311658819 /nfs/dbraw/zinc/65/88/19/1311658819.db2.gz WCXPYXDPAFNUEP-UHFFFAOYSA-N -1 3 336.343 2.725 20 10 EFCDHM CC(C)OCCOc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380196 1311658918 /nfs/dbraw/zinc/65/89/18/1311658918.db2.gz PLTYOBZTMVSMGP-UHFFFAOYSA-N -1 3 326.348 2.971 20 10 EFCDHM CC1(C)OC[C@H](COc2c(O)c([O-])ccc2C(=O)c2ccccc2)O1 ZINC001227938754 1311876579 /nfs/dbraw/zinc/87/65/79/1311876579.db2.gz XTUDZMUODLNIBV-ZDUSSCGKSA-N -1 3 344.363 2.859 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001227940577 1311876689 /nfs/dbraw/zinc/87/66/89/1311876689.db2.gz MOFAUKRCEULMML-OAHLLOKOSA-N -1 3 343.335 2.763 20 10 EFCDHM CN1CCC[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229186989 1312058894 /nfs/dbraw/zinc/05/88/94/1312058894.db2.gz SIDRKJINDMXDFN-GFCCVEGCSA-N -1 3 337.375 2.641 20 10 EFCDHM Cc1cc(O[C@H]2CCN(C)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542835 1312111465 /nfs/dbraw/zinc/11/14/65/1312111465.db2.gz QLLVXCRKEOCECF-LBPRGKRZSA-N -1 3 337.375 2.559 20 10 EFCDHM O=C(N1CCCC12CC2)[C@@]12C[C@@H]1CCN2Cc1c([O-])cccc1F ZINC001277489202 1312439213 /nfs/dbraw/zinc/43/92/13/1312439213.db2.gz NJBDTNJYJIUBMZ-ORAYPTAESA-N -1 3 330.403 2.651 20 10 EFCDHM O=C([O-])c1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001231445941 1312499215 /nfs/dbraw/zinc/49/92/15/1312499215.db2.gz CUZBVYNCSZWXGP-UHFFFAOYSA-N -1 3 344.386 2.547 20 10 EFCDHM CN1CCN(Cc2ccc(C(=O)[O-])cc2O)[C@H](c2ccccc2)C1 ZINC001231446706 1312499433 /nfs/dbraw/zinc/49/94/33/1312499433.db2.gz LCZHTZCLEUEGJC-KRWDZBQOSA-N -1 3 326.396 2.579 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c([O-])c1 ZINC001231452461 1312499866 /nfs/dbraw/zinc/49/98/66/1312499866.db2.gz PLXNGZDOIHXAPA-KRWDZBQOSA-N -1 3 327.380 2.882 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]2COCc2ccccc2)c([O-])c1 ZINC001231452461 1312499870 /nfs/dbraw/zinc/49/98/70/1312499870.db2.gz PLXNGZDOIHXAPA-KRWDZBQOSA-N -1 3 327.380 2.882 20 10 EFCDHM COc1cc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc(OC)c1 ZINC001231451282 1312500125 /nfs/dbraw/zinc/50/01/25/1312500125.db2.gz LEBLUWORXMTJJP-UHFFFAOYSA-N -1 3 331.368 2.740 20 10 EFCDHM COc1cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc(OC)c1 ZINC001231451282 1312500129 /nfs/dbraw/zinc/50/01/29/1312500129.db2.gz LEBLUWORXMTJJP-UHFFFAOYSA-N -1 3 331.368 2.740 20 10 EFCDHM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2O)c(OC)c1 ZINC001231455648 1312501158 /nfs/dbraw/zinc/50/11/58/1312501158.db2.gz SPELRZQREPUENT-UHFFFAOYSA-N -1 3 331.368 2.740 20 10 EFCDHM CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454986 1312501192 /nfs/dbraw/zinc/50/11/92/1312501192.db2.gz UOSQQHCDBUXZOO-LBPRGKRZSA-N -1 3 335.400 2.644 20 10 EFCDHM CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454986 1312501198 /nfs/dbraw/zinc/50/11/98/1312501198.db2.gz UOSQQHCDBUXZOO-LBPRGKRZSA-N -1 3 335.400 2.644 20 10 EFCDHM C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455040 1312501215 /nfs/dbraw/zinc/50/12/15/1312501215.db2.gz VJINBWOQNYEYDY-UHFFFAOYSA-N -1 3 337.379 2.908 20 10 EFCDHM C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455040 1312501219 /nfs/dbraw/zinc/50/12/19/1312501219.db2.gz VJINBWOQNYEYDY-UHFFFAOYSA-N -1 3 337.379 2.908 20 10 EFCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3ccc(F)c(F)c3)CC2)c1 ZINC001231559691 1312525207 /nfs/dbraw/zinc/52/52/07/1312525207.db2.gz IQEXSIYPFVDWAX-UHFFFAOYSA-N -1 3 348.349 2.691 20 10 EFCDHM C[C@](O)(C1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1)C(F)(F)F ZINC001231565534 1312526336 /nfs/dbraw/zinc/52/63/36/1312526336.db2.gz DUBOTNMPYKNKKP-HNNXBMFYSA-N -1 3 347.333 2.616 20 10 EFCDHM CCOC(=O)c1cn2c(n1)CN(Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001231870489 1312578459 /nfs/dbraw/zinc/57/84/59/1312578459.db2.gz FZOLGHONKJAYAN-UHFFFAOYSA-N -1 3 349.818 2.743 20 10 EFCDHM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2ccccc2c1[O-] ZINC001231880547 1312580156 /nfs/dbraw/zinc/58/01/56/1312580156.db2.gz HNQCRIJOAUGKON-OSYLJGHBSA-N -1 3 341.407 2.698 20 10 EFCDHM CC(C)(C)CC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232263399 1312660672 /nfs/dbraw/zinc/66/06/72/1312660672.db2.gz PUGYYTQSBGSHLP-UHFFFAOYSA-N -1 3 340.851 2.832 20 10 EFCDHM Cc1cccc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)n1 ZINC001232260907 1312660810 /nfs/dbraw/zinc/66/08/10/1312660810.db2.gz STGFBAXOKAHIAT-UHFFFAOYSA-N -1 3 333.819 2.777 20 10 EFCDHM Cc1cccnc1N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232261029 1312661199 /nfs/dbraw/zinc/66/11/99/1312661199.db2.gz VKTDWBTXRNXNPT-UHFFFAOYSA-N -1 3 333.819 2.777 20 10 EFCDHM CSc1ncc2c(n1)CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232264226 1312661714 /nfs/dbraw/zinc/66/17/14/1312661714.db2.gz ZQBQZQCFAVWXER-UHFFFAOYSA-N -1 3 337.832 2.821 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2nnc3ccccn32)cc1Cl ZINC001232266946 1312662364 /nfs/dbraw/zinc/66/23/64/1312662364.db2.gz SZXCOJPHWNMHCX-UHFFFAOYSA-N -1 3 332.791 2.729 20 10 EFCDHM COc1cc([O-])c(CN2CCO[C@H](C(F)(F)F)C2)cc1Cl ZINC001232269700 1312662527 /nfs/dbraw/zinc/66/25/27/1312662527.db2.gz HWYAZPUSPKPYIW-LBPRGKRZSA-N -1 3 325.714 2.817 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)c(OC)cc1[O-])C1CCCC1 ZINC001232267527 1312662682 /nfs/dbraw/zinc/66/26/82/1312662682.db2.gz CXTMEZIUTWRAAQ-UHFFFAOYSA-N -1 3 327.808 2.972 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)cc1Cl ZINC001232267819 1312663181 /nfs/dbraw/zinc/66/31/81/1312663181.db2.gz HCYYCMIRDGIKCE-FWDPORAESA-N -1 3 337.725 2.958 20 10 EFCDHM CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232270256 1312663760 /nfs/dbraw/zinc/66/37/60/1312663760.db2.gz ZOLIFMNOFGBBPF-ZDUSSCGKSA-N -1 3 327.808 2.972 20 10 EFCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(OC3COC3)c(F)c2)no1 ZINC001215145709 1314788934 /nfs/dbraw/zinc/78/89/34/1314788934.db2.gz DNBHDVYFKNIGTM-UHFFFAOYSA-N -1 3 344.298 2.732 20 10 EFCDHM COc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(OC)c1 ZINC001215325413 1314815886 /nfs/dbraw/zinc/81/58/86/1314815886.db2.gz RINGQEYZJMEJPA-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM CCN1CCc2ccc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)cc21 ZINC001215328399 1314816987 /nfs/dbraw/zinc/81/69/87/1314816987.db2.gz BASGFVVXXPYZRB-UHFFFAOYSA-N -1 3 339.351 2.903 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3cccc(C4OCCO4)c3)no2)cc1O ZINC001215328959 1314817350 /nfs/dbraw/zinc/81/73/50/1314817350.db2.gz WJTXCLJMCQXPPT-UHFFFAOYSA-N -1 3 342.307 2.566 20 10 EFCDHM COc1ccc(CN2CC[C@@H](C)C2)c([O-])c1I ZINC001248481881 1314938805 /nfs/dbraw/zinc/93/88/05/1314938805.db2.gz JJXFLXPHSLUDKH-SECBINFHSA-N -1 3 347.196 2.847 20 10 EFCDHM COC(=O)[C@@H]1COCCN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248884073 1314991919 /nfs/dbraw/zinc/99/19/19/1314991919.db2.gz WGAKZZPEOFSNFP-AWEZNQCLSA-N -1 3 341.835 2.717 20 10 EFCDHM COc1cc(OC)c(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)cn1 ZINC001216953266 1315025155 /nfs/dbraw/zinc/02/51/55/1315025155.db2.gz FOAJBXHKNSFAIK-UHFFFAOYSA-N -1 3 349.730 2.880 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CCNCC1(F)F ZINC001218006526 1315132810 /nfs/dbraw/zinc/13/28/10/1315132810.db2.gz MEUYLDPVPLKTBL-AWEZNQCLSA-N -1 3 349.333 2.705 20 10 EFCDHM Cc1cc(CN2CC[C@@H](O)C(F)(F)C2)c([O-])cc1Br ZINC001250128821 1315176477 /nfs/dbraw/zinc/17/64/77/1315176477.db2.gz LLTJXUOHIPSSJJ-GFCCVEGCSA-N -1 3 336.176 2.665 20 10 EFCDHM CCOC(=O)[C@@H]1CCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250134255 1315177664 /nfs/dbraw/zinc/17/76/64/1315177664.db2.gz XXHDGLLVSBBINM-ZDUSSCGKSA-N -1 3 342.233 2.991 20 10 EFCDHM COc1cc(OC)cc(-c2nnc(-c3cc(O)c([O-])c(O)c3)o2)c1 ZINC001253829683 1315643464 /nfs/dbraw/zinc/64/34/64/1315643464.db2.gz ORZJYKIRWMOEQE-UHFFFAOYSA-N -1 3 330.296 2.538 20 10 EFCDHM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1cccc(Cl)c1Cl ZINC001257288603 1316054200 /nfs/dbraw/zinc/05/42/00/1316054200.db2.gz LWDLWWYPESTSSV-UHFFFAOYSA-N -1 3 348.207 2.883 20 10 EFCDHM Cc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1O ZINC001259044150 1316201816 /nfs/dbraw/zinc/20/18/16/1316201816.db2.gz UTUFJOXLORXGLL-UHFFFAOYSA-N -1 3 331.315 2.596 20 10 EFCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260453316 1316339665 /nfs/dbraw/zinc/33/96/65/1316339665.db2.gz YQRLSEBAIXJHSZ-UHFFFAOYSA-N -1 3 345.376 2.916 20 10 EFCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1F ZINC001260661798 1316355758 /nfs/dbraw/zinc/35/57/58/1316355758.db2.gz FOWKEHOGBJOJEG-UHFFFAOYSA-N -1 3 325.361 2.958 20 10 EFCDHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001260770773 1316366837 /nfs/dbraw/zinc/36/68/37/1316366837.db2.gz FLZAKSXTDMVNJI-UHFFFAOYSA-N -1 3 325.361 2.958 20 10 EFCDHM O=C([O-])[C@@H](F)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000904043855 1324861705 /nfs/dbraw/zinc/86/17/05/1324861705.db2.gz WMGOVGOFPCWXLE-KRWDZBQOSA-N -1 3 328.387 2.762 20 10 EFCDHM O=C([O-])C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)OCO2 ZINC000904045451 1324862129 /nfs/dbraw/zinc/86/21/29/1324862129.db2.gz LMJCGSSDWDDOHX-HNNXBMFYSA-N -1 3 341.363 2.656 20 10 EFCDHM COc1cc(Br)cc(C[N@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848640351 1334821491 /nfs/dbraw/zinc/82/14/91/1334821491.db2.gz QLSCRHYXJBLDDQ-UHFFFAOYSA-N -1 3 344.205 2.602 20 10 EFCDHM COc1cc(Br)cc(C[N@@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848640351 1334821494 /nfs/dbraw/zinc/82/14/94/1334821494.db2.gz QLSCRHYXJBLDDQ-UHFFFAOYSA-N -1 3 344.205 2.602 20 10 EFCDHM CC1(C)C(=O)N[C@H]1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000848920471 1334986791 /nfs/dbraw/zinc/98/67/91/1334986791.db2.gz HHKBTYNPFPGENJ-HNNXBMFYSA-N -1 3 340.826 2.921 20 10 EFCDHM O=C(NCc1ccc(Br)s1)c1cccc(O)c1[O-] ZINC000126178423 1417192740 /nfs/dbraw/zinc/19/27/40/1417192740.db2.gz MVGQFYZCZIWEHH-UHFFFAOYSA-N -1 3 328.187 2.852 20 10 EFCDHM CCN(CC)c1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000825415680 1430003966 /nfs/dbraw/zinc/00/39/66/1430003966.db2.gz DOBAPZCWMXGDSM-UHFFFAOYSA-N -1 3 340.431 2.938 20 10 EFCDHM CCN(CC)c1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000825415680 1430003971 /nfs/dbraw/zinc/00/39/71/1430003971.db2.gz DOBAPZCWMXGDSM-UHFFFAOYSA-N -1 3 340.431 2.938 20 10 EFCDHM C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824617413 1443623664 /nfs/dbraw/zinc/62/36/64/1443623664.db2.gz HOGJKMSIQGGKOL-LLVKDONJSA-N -1 3 339.374 2.792 20 10 EFCDHM C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617413 1443623665 /nfs/dbraw/zinc/62/36/65/1443623665.db2.gz HOGJKMSIQGGKOL-LLVKDONJSA-N -1 3 339.374 2.792 20 10 EFCDHM CC[C@@H]([NH2+]CCOc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[O-] ZINC000825142890 1450364797 /nfs/dbraw/zinc/36/47/97/1450364797.db2.gz SYPKUYIAWCZQCP-MRXNPFEDSA-N -1 3 339.399 2.692 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000127225110 724420066 /nfs/dbraw/zinc/42/00/66/724420066.db2.gz WMBAYCFKNFCQJK-UHFFFAOYSA-N -1 3 342.395 2.849 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cccc(O)c3)CC2)c1[O-] ZINC000176890110 716958645 /nfs/dbraw/zinc/95/86/45/716958645.db2.gz AHWMURCXOBVUSB-UHFFFAOYSA-N -1 3 344.386 2.762 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c([O-])c1O ZINC000179408541 717455514 /nfs/dbraw/zinc/45/55/14/717455514.db2.gz DZGIQIBBQXKAAL-UHFFFAOYSA-N -1 3 326.352 2.551 20 10 EFCDHM CNC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1Cl ZINC000179440257 717462958 /nfs/dbraw/zinc/46/29/58/717462958.db2.gz KUVXJBZKTIMTJL-UHFFFAOYSA-N -1 3 334.759 2.672 20 10 EFCDHM Cc1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)c([O-])c1O ZINC000182163127 720091187 /nfs/dbraw/zinc/09/11/87/720091187.db2.gz VTFNWWIQMVCQMW-UHFFFAOYSA-N -1 3 328.353 2.572 20 10 EFCDHM O=C(CC1CCN(Cc2cc(F)cc(F)c2[O-])CC1)N1CCCC1 ZINC000893967014 720187748 /nfs/dbraw/zinc/18/77/48/720187748.db2.gz VGFWCOHAHRCGHG-UHFFFAOYSA-N -1 3 338.398 2.895 20 10 EFCDHM COC(=O)C[C@H]1CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000894049037 720248196 /nfs/dbraw/zinc/24/81/96/720248196.db2.gz CUOGOKTYDWSEFR-LLVKDONJSA-N -1 3 346.196 2.821 20 10 EFCDHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192989521 720862082 /nfs/dbraw/zinc/86/20/82/720862082.db2.gz BMGSFSOFUFIDPC-NSHDSACASA-N -1 3 328.368 2.878 20 10 EFCDHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192989510 720862101 /nfs/dbraw/zinc/86/21/01/720862101.db2.gz BMGSFSOFUFIDPC-LLVKDONJSA-N -1 3 328.368 2.878 20 10 EFCDHM C[S@@](=O)C[C@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000894424122 722732764 /nfs/dbraw/zinc/73/27/64/722732764.db2.gz BJWQWIPYKDLZTB-OYHNWAKOSA-N -1 3 325.380 2.880 20 10 EFCDHM CS(=O)(=O)C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000894468959 722748220 /nfs/dbraw/zinc/74/82/20/722748220.db2.gz BZCDYZJNVAUXNN-OAHLLOKOSA-N -1 3 341.379 2.546 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000894748556 722833472 /nfs/dbraw/zinc/83/34/72/722833472.db2.gz OTZRTYSCWBUDIO-CYBMUJFWSA-N -1 3 325.277 2.950 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000894748826 722833748 /nfs/dbraw/zinc/83/37/48/722833748.db2.gz XFTZEAUPBFQHIB-ONGXEEELSA-N -1 3 325.277 2.663 20 10 EFCDHM C[C@H]1[C@H](CO)CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000895015206 723050767 /nfs/dbraw/zinc/05/07/67/723050767.db2.gz UHEQZJGWWZKPIY-UWVGGRQHSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897257969 724137868 /nfs/dbraw/zinc/13/78/68/724137868.db2.gz FNBGWRRPXMJFJU-NSHDSACASA-N -1 3 329.799 2.691 20 10 EFCDHM CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895861880 724345332 /nfs/dbraw/zinc/34/53/32/724345332.db2.gz CYSZOYMDADDHOB-ZFWWWQNUSA-N -1 3 341.835 2.944 20 10 EFCDHM CCOC(=O)[C@H](C)N(CC)Cc1cc(Br)ccc1[O-] ZINC000076118505 727994064 /nfs/dbraw/zinc/99/40/64/727994064.db2.gz ULFLNRLURGHBIA-JTQLQIEISA-N -1 3 330.222 2.928 20 10 EFCDHM CC[C@H](C(=O)OC)N(CC)Cc1cc(Br)ccc1[O-] ZINC000174426691 728663501 /nfs/dbraw/zinc/66/35/01/728663501.db2.gz GEPYNAPETQVKCQ-GFCCVEGCSA-N -1 3 330.222 2.928 20 10 EFCDHM O=C(NCc1ccsc1Br)c1cccc(O)c1[O-] ZINC000388499340 729752105 /nfs/dbraw/zinc/75/21/05/729752105.db2.gz FYKKDPAJKNIECO-UHFFFAOYSA-N -1 3 328.187 2.852 20 10 EFCDHM Cc1cc(N(C)C)ccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000822206118 945991798 /nfs/dbraw/zinc/99/17/98/945991798.db2.gz VAXPGBCZOCULOA-UHFFFAOYSA-N -1 3 326.379 2.992 20 10 EFCDHM Cc1cc(N(C)C)ccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000822206118 945991808 /nfs/dbraw/zinc/99/18/08/945991808.db2.gz VAXPGBCZOCULOA-UHFFFAOYSA-N -1 3 326.379 2.992 20 10 EFCDHM Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000840997378 979298910 /nfs/dbraw/zinc/29/89/10/979298910.db2.gz AIINDJDKJUTPGF-JTQLQIEISA-N -1 3 328.206 2.760 20 10 EFCDHM Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000840997378 979298916 /nfs/dbraw/zinc/29/89/16/979298916.db2.gz AIINDJDKJUTPGF-JTQLQIEISA-N -1 3 328.206 2.760 20 10 EFCDHM CN(C)c1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000901941600 980641833 /nfs/dbraw/zinc/64/18/33/980641833.db2.gz XQYGCQLQTVWODB-SFHVURJKSA-N -1 3 343.383 2.750 20 10 EFCDHM CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])[C@@H]1SC ZINC001596979555 986220531 /nfs/dbraw/zinc/22/05/31/986220531.db2.gz BHBNBZPJFOWOCC-VHIFSBLJSA-N -1 3 325.430 2.650 20 10 EFCDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc(F)ccc1O ZINC001594571108 986404799 /nfs/dbraw/zinc/40/47/99/986404799.db2.gz YQPYPPGQCFRGNM-ZDUSSCGKSA-N -1 3 344.386 2.940 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2ccccc2OCC(=O)[O-])c1 ZINC001599598200 993776676 /nfs/dbraw/zinc/77/66/76/993776676.db2.gz HVNZMUDDQOBDLQ-LBPRGKRZSA-N -1 3 331.368 2.715 20 10 EFCDHM C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247228 994462819 /nfs/dbraw/zinc/46/28/19/994462819.db2.gz FQJIEEXGSGEEHT-RBZFPXEDSA-N -1 3 341.407 2.618 20 10 EFCDHM C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256802 994522769 /nfs/dbraw/zinc/52/27/69/994522769.db2.gz JLUBHYXXOJAVOZ-MNOVXSKESA-N -1 3 346.349 2.625 20 10 EFCDHM C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275662 994630013 /nfs/dbraw/zinc/63/00/13/994630013.db2.gz UIVPNZHBDIVSAS-LLVKDONJSA-N -1 3 329.352 2.712 20 10 EFCDHM COc1cccc([O-])c1C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001599680144 994965827 /nfs/dbraw/zinc/96/58/27/994965827.db2.gz CAHPYQHTXQNZED-LSDHHAIUSA-N -1 3 327.380 2.701 20 10 EFCDHM COc1cccc([O-])c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001599680144 994965835 /nfs/dbraw/zinc/96/58/35/994965835.db2.gz CAHPYQHTXQNZED-LSDHHAIUSA-N -1 3 327.380 2.701 20 10 EFCDHM COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599680184 994967345 /nfs/dbraw/zinc/96/73/45/994967345.db2.gz FIPOYDBVLYWBJI-LLVKDONJSA-N -1 3 348.424 2.935 20 10 EFCDHM COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599680184 994967356 /nfs/dbraw/zinc/96/73/56/994967356.db2.gz FIPOYDBVLYWBJI-LLVKDONJSA-N -1 3 348.424 2.935 20 10 EFCDHM C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354365 994990048 /nfs/dbraw/zinc/99/00/48/994990048.db2.gz OFYHSTVRIFDBEL-BBRMVZONSA-N -1 3 329.396 2.735 20 10 EFCDHM COc1cc(C)c(C[N@@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c([O-])c1 ZINC001599390935 997033733 /nfs/dbraw/zinc/03/37/33/997033733.db2.gz CJGALBMYXZFPGA-FQEVSTJZSA-N -1 3 341.407 2.938 20 10 EFCDHM COc1cc(C)c(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c([O-])c1 ZINC001599390935 997033743 /nfs/dbraw/zinc/03/37/43/997033743.db2.gz CJGALBMYXZFPGA-FQEVSTJZSA-N -1 3 341.407 2.938 20 10 EFCDHM COc1cc(C)c(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391435 997044801 /nfs/dbraw/zinc/04/48/01/997044801.db2.gz XLDOMXCVDZHHNR-WDEREUQCSA-N -1 3 347.333 2.794 20 10 EFCDHM COc1cc(C)c(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391435 997044814 /nfs/dbraw/zinc/04/48/14/997044814.db2.gz XLDOMXCVDZHHNR-WDEREUQCSA-N -1 3 347.333 2.794 20 10 EFCDHM CC(C)OC1CCC([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001589740090 1093131829 /nfs/dbraw/zinc/13/18/29/1093131829.db2.gz XCQKABQJTJZKSN-HSBZDZAISA-N -1 3 345.447 2.959 20 10 EFCDHM C[C@H](Cc1cccs1)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589902300 1093174714 /nfs/dbraw/zinc/17/47/14/1093174714.db2.gz BNGMJBPXKRSRSR-GHMZBOCLSA-N -1 3 329.429 2.916 20 10 EFCDHM C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957936 1093195379 /nfs/dbraw/zinc/19/53/79/1093195379.db2.gz JOXJYYAUTLFTKD-KPZWWZAWSA-N -1 3 345.447 2.554 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956631 1093195578 /nfs/dbraw/zinc/19/55/78/1093195578.db2.gz PBZLYMYOOUOTAG-YWPYICTPSA-N -1 3 345.447 2.817 20 10 EFCDHM C[C@@H]([NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(F)cc1[O-] ZINC001589959636 1093196271 /nfs/dbraw/zinc/19/62/71/1093196271.db2.gz ZWVDDPYXQJBTEB-MEBBXXQBSA-N -1 3 339.374 2.529 20 10 EFCDHM C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962888 1093198639 /nfs/dbraw/zinc/19/86/39/1093198639.db2.gz UTOAPXYOEKTRSE-XEZPLFJOSA-N -1 3 345.447 2.554 20 10 EFCDHM CC[C@@H]([NH2+][C@H](C)Cc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590461434 1093431737 /nfs/dbraw/zinc/43/17/37/1093431737.db2.gz DKVPHQWMPRIULP-MLGOLLRUSA-N -1 3 338.415 2.639 20 10 EFCDHM CC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590461432 1093431984 /nfs/dbraw/zinc/43/19/84/1093431984.db2.gz DKVPHQWMPRIULP-BLLLJJGKSA-N -1 3 338.415 2.639 20 10 EFCDHM CC[C@H]([NH2+]CC1(CCOC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464548 1093434076 /nfs/dbraw/zinc/43/40/76/1093434076.db2.gz PWCYMIPJAWQYFM-HNNXBMFYSA-N -1 3 345.447 2.820 20 10 EFCDHM CC[C@H]([NH2+]CC[C@H]1CCCS1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464321 1093434287 /nfs/dbraw/zinc/43/42/87/1093434287.db2.gz AFVLAADRNBHBIW-RISCZKNCSA-N -1 3 333.461 2.899 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465105 1093434415 /nfs/dbraw/zinc/43/44/15/1093434415.db2.gz IEBOOYJZAINBLP-UHOFOFEASA-N -1 3 343.431 2.571 20 10 EFCDHM CC[C@H]([NH2+]CCOC1CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465809 1093435922 /nfs/dbraw/zinc/43/59/22/1093435922.db2.gz GNDKXLWIPWIARG-HNNXBMFYSA-N -1 3 331.420 2.572 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1CC[C@@H](SC)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465531 1093436765 /nfs/dbraw/zinc/43/67/65/1093436765.db2.gz IMQAYEPKXBLULP-GYSYKLTISA-N -1 3 333.461 2.897 20 10 EFCDHM CC[C@@H]([NH2+]CCc1ccncc1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465387 1093437009 /nfs/dbraw/zinc/43/70/09/1093437009.db2.gz DSAGFMJCVOKXEX-MRXNPFEDSA-N -1 3 338.415 2.559 20 10 EFCDHM CC[C@@H]([NH2+]Cc1scnc1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468442 1093440112 /nfs/dbraw/zinc/44/01/12/1093440112.db2.gz FLUTZERZLPLVCM-GFCCVEGCSA-N -1 3 330.417 2.578 20 10 EFCDHM CC[C@H]([NH2+]Cc1scnc1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468443 1093440144 /nfs/dbraw/zinc/44/01/44/1093440144.db2.gz FLUTZERZLPLVCM-LBPRGKRZSA-N -1 3 330.417 2.578 20 10 EFCDHM CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469036 1093442369 /nfs/dbraw/zinc/44/23/69/1093442369.db2.gz XIKUSHYHTAXZLP-DOMZBBRYSA-N -1 3 331.420 2.572 20 10 EFCDHM CC[C@H]([NH2+]Cc1cnc(C)s1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469266 1093442563 /nfs/dbraw/zinc/44/25/63/1093442563.db2.gz MOOSAPQRMHIIBS-ZDUSSCGKSA-N -1 3 330.417 2.578 20 10 EFCDHM CCc1cccc(CNc2cc(-c3nn[n-]n3)ccc2OC)c1O ZINC001590894864 1093621767 /nfs/dbraw/zinc/62/17/67/1093621767.db2.gz QUHOVVCTEHGRPJ-UHFFFAOYSA-N -1 3 325.372 2.755 20 10 EFCDHM CCc1nc(C)c(C[NH2+][C@H](CC)c2cccc(-c3nn[n-]n3)c2[O-])o1 ZINC001590912027 1093630873 /nfs/dbraw/zinc/63/08/73/1093630873.db2.gz WCMANTHCIIABQA-CYBMUJFWSA-N -1 3 342.403 2.672 20 10 EFCDHM COC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccc1 ZINC001591382921 1093711959 /nfs/dbraw/zinc/71/19/59/1093711959.db2.gz ZCKSDZVBSJQUQM-LRDDRELGSA-N -1 3 339.399 2.611 20 10 EFCDHM COc1cc(C)cc(CNc2cc(C)cc(-c3nnn[n-]3)c2)c1O ZINC001591519882 1093747635 /nfs/dbraw/zinc/74/76/35/1093747635.db2.gz CDONOPDZPUSBRP-UHFFFAOYSA-N -1 3 325.372 2.810 20 10 EFCDHM COc1cc(C)cc(CNc2cc(C)cc(-c3nn[n-]n3)c2)c1O ZINC001591519882 1093747637 /nfs/dbraw/zinc/74/76/37/1093747637.db2.gz CDONOPDZPUSBRP-UHFFFAOYSA-N -1 3 325.372 2.810 20 10 EFCDHM COc1ccc(N(C)CCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001591606694 1093793788 /nfs/dbraw/zinc/79/37/88/1093793788.db2.gz WKADUPUYZVJSSD-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM COc1ccc(N(C)CCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001591606694 1093793794 /nfs/dbraw/zinc/79/37/94/1093793794.db2.gz WKADUPUYZVJSSD-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM COc1ccc(N(C)Cc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC001591607446 1093794864 /nfs/dbraw/zinc/79/48/64/1093794864.db2.gz CGRDUOUAOZWBJN-UHFFFAOYSA-N -1 3 331.326 2.790 20 10 EFCDHM COc1ccc(N(C)Cc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC001591607446 1093794869 /nfs/dbraw/zinc/79/48/69/1093794869.db2.gz CGRDUOUAOZWBJN-UHFFFAOYSA-N -1 3 331.326 2.790 20 10 EFCDHM Cc1c(NC(=O)N[C@H](C)c2ccccc2O)cccc1-c1nnn[n-]1 ZINC001591827596 1093873896 /nfs/dbraw/zinc/87/38/96/1093873896.db2.gz VIZDWACDRZZNFU-LLVKDONJSA-N -1 3 338.371 2.763 20 10 EFCDHM Cc1c(NC(=O)N[C@H](C)c2ccccc2O)cccc1-c1nn[n-]n1 ZINC001591827596 1093873903 /nfs/dbraw/zinc/87/39/03/1093873903.db2.gz VIZDWACDRZZNFU-LLVKDONJSA-N -1 3 338.371 2.763 20 10 EFCDHM Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)cc(-c2nnn[n-]2)c1 ZINC001592028197 1093959322 /nfs/dbraw/zinc/95/93/22/1093959322.db2.gz USIXOCWJMVMQPX-LLVKDONJSA-N -1 3 338.371 2.763 20 10 EFCDHM Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)cc(-c2nn[n-]n2)c1 ZINC001592028197 1093959326 /nfs/dbraw/zinc/95/93/26/1093959326.db2.gz USIXOCWJMVMQPX-LLVKDONJSA-N -1 3 338.371 2.763 20 10 EFCDHM Cc1ccc(C=CC(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC001592145334 1093996943 /nfs/dbraw/zinc/99/69/43/1093996943.db2.gz ZCBJHAHQGCCACW-RMKNXTFCSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccc(C=CC(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC001592145334 1093996948 /nfs/dbraw/zinc/99/69/48/1093996948.db2.gz ZCBJHAHQGCCACW-RMKNXTFCSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ncccc1C=CC(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592426899 1094104895 /nfs/dbraw/zinc/10/48/95/1094104895.db2.gz YNOOGFTWCPXHEZ-VQHVLOKHSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ncccc1C=CC(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592426899 1094104898 /nfs/dbraw/zinc/10/48/98/1094104898.db2.gz YNOOGFTWCPXHEZ-VQHVLOKHSA-N -1 3 346.394 2.563 20 10 EFCDHM Clc1ccc(C2=CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC001592527651 1094124063 /nfs/dbraw/zinc/12/40/63/1094124063.db2.gz DKAJSGGIYYZXEY-UHFFFAOYSA-N -1 3 339.790 2.604 20 10 EFCDHM Clc1ccc(C2=CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC001592527651 1094124064 /nfs/dbraw/zinc/12/40/64/1094124064.db2.gz DKAJSGGIYYZXEY-UHFFFAOYSA-N -1 3 339.790 2.604 20 10 EFCDHM O=C(CSc1ncc(Cl)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592906922 1094202530 /nfs/dbraw/zinc/20/25/30/1094202530.db2.gz ZIMGICJROQRYPZ-UHFFFAOYSA-N -1 3 337.817 2.952 20 10 EFCDHM O=C(CSc1ncc(Cl)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592906922 1094202532 /nfs/dbraw/zinc/20/25/32/1094202532.db2.gz ZIMGICJROQRYPZ-UHFFFAOYSA-N -1 3 337.817 2.952 20 10 EFCDHM O=C(NCc1cc(Cl)ccc1O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001593121413 1094224586 /nfs/dbraw/zinc/22/45/86/1094224586.db2.gz FDRRJZQCXFXACA-UHFFFAOYSA-N -1 3 344.762 2.547 20 10 EFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1C1CCC1 ZINC001593376187 1094299598 /nfs/dbraw/zinc/29/95/98/1094299598.db2.gz BIGOCBQACRIAFE-UXBLZVDNSA-N -1 3 349.466 2.682 20 10 EFCDHM O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2O)c(-c2nnn[n-]2)c1 ZINC001593479196 1094324160 /nfs/dbraw/zinc/32/41/60/1094324160.db2.gz YIJTVXHXZYFBEJ-UHFFFAOYSA-N -1 3 346.734 2.746 20 10 EFCDHM O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2O)c(-c2nn[n-]n2)c1 ZINC001593479196 1094324169 /nfs/dbraw/zinc/32/41/69/1094324169.db2.gz YIJTVXHXZYFBEJ-UHFFFAOYSA-N -1 3 346.734 2.746 20 10 EFCDHM Oc1cccc2c1CN(c1ncc(-c3nnn[n-]3)c3ccsc31)C2 ZINC001593540473 1094352547 /nfs/dbraw/zinc/35/25/47/1094352547.db2.gz XABRVWODNRISPH-UHFFFAOYSA-N -1 3 336.380 2.702 20 10 EFCDHM Oc1cccc2c1CN(c1ncc(-c3nn[n-]n3)c3ccsc31)C2 ZINC001593540473 1094352554 /nfs/dbraw/zinc/35/25/54/1094352554.db2.gz XABRVWODNRISPH-UHFFFAOYSA-N -1 3 336.380 2.702 20 10 EFCDHM Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c1[O-] ZINC001600072416 1094752531 /nfs/dbraw/zinc/75/25/31/1094752531.db2.gz UTRSNLWCJKNZGB-LBPRGKRZSA-N -1 3 328.206 2.902 20 10 EFCDHM Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1[O-] ZINC001600072416 1094752540 /nfs/dbraw/zinc/75/25/40/1094752540.db2.gz UTRSNLWCJKNZGB-LBPRGKRZSA-N -1 3 328.206 2.902 20 10 EFCDHM Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001600402155 1095038896 /nfs/dbraw/zinc/03/88/96/1095038896.db2.gz OFKCRNGNONLGPN-BBRMVZONSA-N -1 3 329.396 2.653 20 10 EFCDHM Cc1cccn2cc(CC[NH2+][C@@H](C)c3cc(C(=O)[O-])ccc3[O-])nc12 ZINC001600589576 1095192237 /nfs/dbraw/zinc/19/22/37/1095192237.db2.gz ZCIPSQBWTQBWLL-ZDUSSCGKSA-N -1 3 339.395 2.940 20 10 EFCDHM O=C([O-])c1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c[nH]1 ZINC001602256754 1096143111 /nfs/dbraw/zinc/14/31/11/1096143111.db2.gz KKPBOWKJXQUTDK-OAHLLOKOSA-N -1 3 330.384 2.600 20 10 EFCDHM O=C([O-])c1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c[nH]1 ZINC001602256754 1096143115 /nfs/dbraw/zinc/14/31/15/1096143115.db2.gz KKPBOWKJXQUTDK-OAHLLOKOSA-N -1 3 330.384 2.600 20 10 EFCDHM C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658575 1096582137 /nfs/dbraw/zinc/58/21/37/1096582137.db2.gz TXQNDHQBHCPHKU-ZFWZSOMGSA-N -1 3 335.358 2.657 20 10 EFCDHM C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661939 1096583073 /nfs/dbraw/zinc/58/30/73/1096583073.db2.gz FLGQCAMHOBJEES-CHWSQXEVSA-N -1 3 343.431 2.715 20 10 EFCDHM CC[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054717 1096712190 /nfs/dbraw/zinc/71/21/90/1096712190.db2.gz JEEZTPPQRZRZNT-PBHICJAKSA-N -1 3 331.420 2.572 20 10 EFCDHM CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055485 1096712850 /nfs/dbraw/zinc/71/28/50/1096712850.db2.gz MVCAJFJCGCWKCO-BBRMVZONSA-N -1 3 347.463 2.658 20 10 EFCDHM COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605313518 1097091341 /nfs/dbraw/zinc/09/13/41/1097091341.db2.gz XILQQMJCJAFVJR-NEPJUHHUSA-N -1 3 339.399 2.993 20 10 EFCDHM COc1cccc(CNc2nc(C)c(-c3nnn[n-]3)cc2Cl)c1O ZINC001605318356 1097094610 /nfs/dbraw/zinc/09/46/10/1097094610.db2.gz TXLZTJJJKHVACQ-UHFFFAOYSA-N -1 3 346.778 2.550 20 10 EFCDHM COc1cccc(CNc2nc(C)c(-c3nn[n-]n3)cc2Cl)c1O ZINC001605318356 1097094618 /nfs/dbraw/zinc/09/46/18/1097094618.db2.gz TXLZTJJJKHVACQ-UHFFFAOYSA-N -1 3 346.778 2.550 20 10 EFCDHM CCOc1ccc(C[C@@H](C[NH2+]Cc2ccccc2[O-])C(=O)[O-])cc1 ZINC001605686545 1097195292 /nfs/dbraw/zinc/19/52/92/1097195292.db2.gz RSSSILYNZRUAHQ-INIZCTEOSA-N -1 3 329.396 2.824 20 10 EFCDHM CCOc1ccc(C[C@H](C[NH2+]Cc2ccccc2[O-])C(=O)[O-])cc1 ZINC001605686546 1097195351 /nfs/dbraw/zinc/19/53/51/1097195351.db2.gz RSSSILYNZRUAHQ-MRXNPFEDSA-N -1 3 329.396 2.824 20 10 EFCDHM CCOc1ccc(C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1 ZINC001605685120 1097195633 /nfs/dbraw/zinc/19/56/33/1097195633.db2.gz CPWXSTDNPHJGOH-HNNXBMFYSA-N -1 3 347.386 2.963 20 10 EFCDHM Cc1ccc(NCCCSc2nccs2)nc1-c1nnn[n-]1 ZINC001605874279 1097261577 /nfs/dbraw/zinc/26/15/77/1097261577.db2.gz MEXZWEXOWLBFBU-UHFFFAOYSA-N -1 3 333.446 2.621 20 10 EFCDHM CCc1oc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1C(=O)[O-] ZINC001605892295 1097268845 /nfs/dbraw/zinc/26/88/45/1097268845.db2.gz QPWVQNKHPGDSTJ-CYBMUJFWSA-N -1 3 344.411 2.917 20 10 EFCDHM Cc1nc(NCCCSc2nccs2)ccc1-c1nnn[n-]1 ZINC001606073513 1097312903 /nfs/dbraw/zinc/31/29/03/1097312903.db2.gz NGIJVYAAKSZSTC-UHFFFAOYSA-N -1 3 333.446 2.621 20 10 EFCDHM Cc1nc(NCCCSc2nccs2)ccc1-c1nn[n-]n1 ZINC001606073513 1097312909 /nfs/dbraw/zinc/31/29/09/1097312909.db2.gz NGIJVYAAKSZSTC-UHFFFAOYSA-N -1 3 333.446 2.621 20 10 EFCDHM Nc1ccc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)cc1 ZINC001606452244 1097402212 /nfs/dbraw/zinc/40/22/12/1097402212.db2.gz JOMPGAJHULZAND-UHFFFAOYSA-N -1 3 348.410 2.899 20 10 EFCDHM Nc1ccc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1 ZINC001606452244 1097402214 /nfs/dbraw/zinc/40/22/14/1097402214.db2.gz JOMPGAJHULZAND-UHFFFAOYSA-N -1 3 348.410 2.899 20 10 EFCDHM COc1ccc(N2CC[C@H](NCc3cc(C)c(C(=O)[O-])o3)C2)cc1 ZINC001607269517 1097580605 /nfs/dbraw/zinc/58/06/05/1097580605.db2.gz OUJHHAFVMVWNBW-ZDUSSCGKSA-N -1 3 330.384 2.663 20 10 EFCDHM O=C([O-])c1sccc1CNCc1ccc(N2CCOCC2)cc1 ZINC001609009061 1098107889 /nfs/dbraw/zinc/10/78/89/1098107889.db2.gz AAUYDYYBUCJONL-UHFFFAOYSA-N -1 3 332.425 2.573 20 10 EFCDHM CN(C)c1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC001609270557 1098234303 /nfs/dbraw/zinc/23/43/03/1098234303.db2.gz HTNBTAYFWKCPHY-UHFFFAOYSA-N -1 3 334.383 2.764 20 10 EFCDHM CN(C)c1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC001609270557 1098234309 /nfs/dbraw/zinc/23/43/09/1098234309.db2.gz HTNBTAYFWKCPHY-UHFFFAOYSA-N -1 3 334.383 2.764 20 10 EFCDHM CN(Cc1ccccc1O)c1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001609280811 1098237649 /nfs/dbraw/zinc/23/76/49/1098237649.db2.gz DIRAURAEKSFOKU-UHFFFAOYSA-N -1 3 338.415 2.901 20 10 EFCDHM CN(Cc1ccccc1O)c1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001609280811 1098237655 /nfs/dbraw/zinc/23/76/55/1098237655.db2.gz DIRAURAEKSFOKU-UHFFFAOYSA-N -1 3 338.415 2.901 20 10 EFCDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(N(C)C)cc1 ZINC001609349782 1098259875 /nfs/dbraw/zinc/25/98/75/1098259875.db2.gz KRMHEROSDKMESV-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(N(C)C)cc1 ZINC001609349782 1098259879 /nfs/dbraw/zinc/25/98/79/1098259879.db2.gz KRMHEROSDKMESV-UHFFFAOYSA-N -1 3 325.372 2.520 20 10 EFCDHM Cc1cc(C=C2SC(=S)N(C3CC3)C2=O)ccc1-c1nnn[n-]1 ZINC001609399850 1098289584 /nfs/dbraw/zinc/28/95/84/1098289584.db2.gz QXAQPCQIBFRXNC-GHXNOFRVSA-N -1 3 343.437 2.539 20 10 EFCDHM Cc1cc(C=C2SC(=S)N(C3CC3)C2=O)ccc1-c1nn[n-]n1 ZINC001609399850 1098289587 /nfs/dbraw/zinc/28/95/87/1098289587.db2.gz QXAQPCQIBFRXNC-GHXNOFRVSA-N -1 3 343.437 2.539 20 10 EFCDHM Cc1nsc(NCc2c(O)ccc3c2CCCC3)c1-c1nnn[n-]1 ZINC001609466513 1098337675 /nfs/dbraw/zinc/33/76/75/1098337675.db2.gz WBKNCGVQNQSGJH-UHFFFAOYSA-N -1 3 342.428 2.828 20 10 EFCDHM Cc1nsc(NCc2ccc(N3CCCC3)cc2)c1-c1nnn[n-]1 ZINC001609466400 1098337872 /nfs/dbraw/zinc/33/78/72/1098337872.db2.gz SVMVBCWYQATHQR-UHFFFAOYSA-N -1 3 341.444 2.844 20 10 EFCDHM Oc1ccccc1CNc1cccc(Br)c1-c1nnn[n-]1 ZINC001609611514 1098399308 /nfs/dbraw/zinc/39/93/08/1098399308.db2.gz GTCZXVXVZFQODH-UHFFFAOYSA-N -1 3 346.188 2.947 20 10 EFCDHM Oc1ccccc1CNc1cccc(Br)c1-c1nn[n-]n1 ZINC001609611514 1098399313 /nfs/dbraw/zinc/39/93/13/1098399313.db2.gz GTCZXVXVZFQODH-UHFFFAOYSA-N -1 3 346.188 2.947 20 10 EFCDHM C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609747711 1098445226 /nfs/dbraw/zinc/44/52/26/1098445226.db2.gz APSVAPDZJDDTQU-WDEREUQCSA-N -1 3 338.404 2.654 20 10 EFCDHM C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609772295 1098452681 /nfs/dbraw/zinc/45/26/81/1098452681.db2.gz IZYKJLYEMRZZNX-BBRMVZONSA-N -1 3 329.396 2.907 20 10 EFCDHM C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779979 1098455162 /nfs/dbraw/zinc/45/51/62/1098455162.db2.gz QEBQMAYFZAYLHO-CQSZACIVSA-N -1 3 340.423 2.799 20 10 EFCDHM C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781661 1098456186 /nfs/dbraw/zinc/45/61/86/1098456186.db2.gz XCSXQLUTHVEPQS-AWEZNQCLSA-N -1 3 328.412 2.873 20 10 EFCDHM COc1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c1[O-] ZINC001610296257 1098607024 /nfs/dbraw/zinc/60/70/24/1098607024.db2.gz ASILFRUFNZKVDB-ZDUSSCGKSA-N -1 3 343.807 2.510 20 10 EFCDHM COc1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c1[O-] ZINC001610296257 1098607027 /nfs/dbraw/zinc/60/70/27/1098607027.db2.gz ASILFRUFNZKVDB-ZDUSSCGKSA-N -1 3 343.807 2.510 20 10 EFCDHM CC1(C)CCN(Cc2cc(Br)ccc2[O-])CC[S@]1=O ZINC000322149129 1105595126 /nfs/dbraw/zinc/59/51/26/1105595126.db2.gz SPJQCHMNSVAHBF-LJQANCHMSA-N -1 3 346.290 2.888 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CC2(CCC2)C1 ZINC001232975353 1107492978 /nfs/dbraw/zinc/49/29/78/1107492978.db2.gz BIVOXOVEVLCGAQ-UHFFFAOYSA-N -1 3 329.181 2.983 20 10 EFCDHM CC(C)OC(=O)C(C)(C)NCc1ccc(Br)cc1[O-] ZINC000898507893 1108982069 /nfs/dbraw/zinc/98/20/69/1108982069.db2.gz ZZUXEAQJQPMOEF-UHFFFAOYSA-N -1 3 330.222 2.975 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC[C@@]1(C)O ZINC001235057352 1111606462 /nfs/dbraw/zinc/60/64/62/1111606462.db2.gz MBYGNBFKVYRCFM-YMTOWFKASA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@@]2(CCOC2)C1 ZINC001235294472 1111720549 /nfs/dbraw/zinc/72/05/49/1111720549.db2.gz OPRGTUJDAWFWSI-CQSZACIVSA-N -1 3 330.197 2.906 20 10 EFCDHM O=[N+]([O-])c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168522692 1112012272 /nfs/dbraw/zinc/01/22/72/1112012272.db2.gz IGJQADVBSZPNLM-UHFFFAOYSA-N -1 3 331.719 2.904 20 10 EFCDHM [O-]c1c(CNc2nccc3n[nH]nc32)cc(Cl)c2cccnc12 ZINC001168523920 1112146254 /nfs/dbraw/zinc/14/62/54/1112146254.db2.gz KGJFFLQKWNVMQG-UHFFFAOYSA-N -1 3 326.747 2.872 20 10 EFCDHM [O-]c1c(CNc2cn3ncnc3cn2)cc(Cl)c2cccnc12 ZINC001168524212 1112167932 /nfs/dbraw/zinc/16/79/32/1112167932.db2.gz XSLQZJBMULRCCR-UHFFFAOYSA-N -1 3 326.747 2.644 20 10 EFCDHM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cccc(O)c1[O-] ZINC000192662476 240057716 /nfs/dbraw/zinc/05/77/16/240057716.db2.gz XPFQBJBMVVGUSH-UHFFFAOYSA-N -1 3 331.343 2.673 20 10 EFCDHM C[C@]1(NCc2ccc(OCc3ccccc3)cc2[O-])CCOC1=O ZINC000290761798 241019475 /nfs/dbraw/zinc/01/94/75/241019475.db2.gz BNZYNOGTXMWPBK-IBGZPJMESA-N -1 3 327.380 2.766 20 10 EFCDHM CCCOc1ccc(CN[C@H](C)c2noc(COCC)n2)c([O-])c1 ZINC000290912005 241020397 /nfs/dbraw/zinc/02/03/97/241020397.db2.gz NCXXENIFKKVZFF-GFCCVEGCSA-N -1 3 335.404 2.951 20 10 EFCDHM CCCOc1ccc(CN[C@@H](C)c2noc(COCC)n2)c([O-])c1 ZINC000290912014 241021681 /nfs/dbraw/zinc/02/16/81/241021681.db2.gz NCXXENIFKKVZFF-LBPRGKRZSA-N -1 3 335.404 2.951 20 10 EFCDHM Cc1ccc(C(=O)N2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)c([O-])c1O ZINC000294059976 241032268 /nfs/dbraw/zinc/03/22/68/241032268.db2.gz KBLXPTSYOCMNFV-BETUJISGSA-N -1 3 348.443 2.514 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])c1nccc(OC)n1 ZINC000301896065 241190128 /nfs/dbraw/zinc/19/01/28/241190128.db2.gz YVSJNQXNMWGVIJ-UHFFFAOYSA-N -1 3 338.205 2.980 20 10 EFCDHM CC(C)OCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363713147 242279469 /nfs/dbraw/zinc/27/94/69/242279469.db2.gz DMYVREZMABTQMK-OAHLLOKOSA-N -1 3 340.851 2.551 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000363997755 242288804 /nfs/dbraw/zinc/28/88/04/242288804.db2.gz UXIWYCSZQPVNIT-RRUGBERISA-N -1 3 337.391 2.502 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000365756334 242333706 /nfs/dbraw/zinc/33/37/06/242333706.db2.gz DNXKQQCMMAMWMK-HNNXBMFYSA-N -1 3 335.306 2.590 20 10 EFCDHM O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000366076660 242340999 /nfs/dbraw/zinc/34/09/99/242340999.db2.gz HSLXAWCAILHBDM-CQSZACIVSA-N -1 3 326.396 2.744 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000366494677 242354776 /nfs/dbraw/zinc/35/47/76/242354776.db2.gz ZNCGICJWTQVNEZ-SJKOYZFVSA-N -1 3 341.835 2.824 20 10 EFCDHM COc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000366494676 242355045 /nfs/dbraw/zinc/35/50/45/242355045.db2.gz ZNCGICJWTQVNEZ-SJCJKPOMSA-N -1 3 341.835 2.824 20 10 EFCDHM Cc1ccc(C(=O)NCc2nc(-c3cccc(F)c3)no2)c([O-])c1O ZINC000364763434 242306837 /nfs/dbraw/zinc/30/68/37/242306837.db2.gz YSLYKWSSDBNUGN-UHFFFAOYSA-N -1 3 343.314 2.525 20 10 EFCDHM COc1cc(Cl)cc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000365149178 242318190 /nfs/dbraw/zinc/31/81/90/242318190.db2.gz GBTZHKVVBSOMFS-KBPBESRZSA-N -1 3 339.819 2.624 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C)c([O-])c1O ZINC000177671143 533609865 /nfs/dbraw/zinc/60/98/65/533609865.db2.gz SHCSPKLWZQRMQH-UHFFFAOYSA-N -1 3 342.395 2.804 20 10 EFCDHM COc1cc(Br)cc(CN2CCOC[C@H](C)C2)c1[O-] ZINC000370187092 277367143 /nfs/dbraw/zinc/36/71/43/277367143.db2.gz VUEHXEPCHZPQJE-SNVBAGLBSA-N -1 3 330.222 2.632 20 10 EFCDHM COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(F)cc2[O-])C1=O ZINC000186102108 278056181 /nfs/dbraw/zinc/05/61/81/278056181.db2.gz BWJNIEYGDXZMPQ-DOMZBBRYSA-N -1 3 344.386 2.996 20 10 EFCDHM CC(=O)c1cc(F)cc(CN(CC(N)=O)[C@H](C)c2ccccc2)c1[O-] ZINC000268175280 278244353 /nfs/dbraw/zinc/24/43/53/278244353.db2.gz MQDMJGDVDXDMGV-GFCCVEGCSA-N -1 3 344.386 2.782 20 10 EFCDHM C[C@H]1CS(=O)(=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271188090 278465492 /nfs/dbraw/zinc/46/54/92/278465492.db2.gz NYDRIDUUJGTWGE-AWEZNQCLSA-N -1 3 331.437 2.678 20 10 EFCDHM CCCOc1ccc([C@@H]2NC(=O)CN2Cc2ccccc2)c([O-])c1 ZINC000112368882 473262445 /nfs/dbraw/zinc/26/24/45/473262445.db2.gz PYQJUHUOYMGNAR-LJQANCHMSA-N -1 3 326.396 2.812 20 10 EFCDHM CN1CCN(c2ccc(NCc3c([O-])cccc3Cl)nc2)CC1 ZINC000131539031 472676661 /nfs/dbraw/zinc/67/66/61/472676661.db2.gz PZVICXZEWUVQHY-UHFFFAOYSA-N -1 3 332.835 2.805 20 10 EFCDHM O=C(CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCCCCC1 ZINC000072952765 472745600 /nfs/dbraw/zinc/74/56/00/472745600.db2.gz YQEAUGYNLXPZMB-SFHVURJKSA-N -1 3 346.471 2.776 20 10 EFCDHM O=C(c1ccccc1[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120822936 472751798 /nfs/dbraw/zinc/75/17/98/472751798.db2.gz ZWYMBAXEDXAYOX-HNNXBMFYSA-N -1 3 327.380 2.919 20 10 EFCDHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc2c(cc1[O-])OCO2 ZINC000078762368 472765893 /nfs/dbraw/zinc/76/58/93/472765893.db2.gz WFEMYQPTIZCNSQ-MRXNPFEDSA-N -1 3 332.400 2.664 20 10 EFCDHM CCOCCO[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000092067266 472851555 /nfs/dbraw/zinc/85/15/55/472851555.db2.gz KZPYEIZKMTUXPE-AWEZNQCLSA-N -1 3 344.249 2.782 20 10 EFCDHM CCC(=O)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092186801 472869781 /nfs/dbraw/zinc/86/97/81/472869781.db2.gz UIKVEKIXPGOLQG-UHFFFAOYSA-N -1 3 341.249 2.599 20 10 EFCDHM CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158038851 472885903 /nfs/dbraw/zinc/88/59/03/472885903.db2.gz JLLISBMWBXKGOZ-IUODEOHRSA-N -1 3 340.851 2.551 20 10 EFCDHM Cc1ocnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134267605 472891107 /nfs/dbraw/zinc/89/11/07/472891107.db2.gz UHRZKKOPYYOLSB-AWEZNQCLSA-N -1 3 349.818 2.736 20 10 EFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccccn1 ZINC000158110920 472893187 /nfs/dbraw/zinc/89/31/87/472893187.db2.gz WXHGGRVWTRFXFR-HNNXBMFYSA-N -1 3 345.830 2.835 20 10 EFCDHM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCO2 ZINC000074752751 473057372 /nfs/dbraw/zinc/05/73/72/473057372.db2.gz AJBYLHUKZIWNRD-UHFFFAOYSA-N -1 3 333.365 2.541 20 10 EFCDHM COC(=O)C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000093458402 473109543 /nfs/dbraw/zinc/10/95/43/473109543.db2.gz AYWRYGDUOCANJL-GOSISDBHSA-N -1 3 341.407 2.823 20 10 EFCDHM CCCOc1ccc(CNC(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000109769085 473119916 /nfs/dbraw/zinc/11/99/16/473119916.db2.gz LKRMRGZVYVJIFA-UHFFFAOYSA-N -1 3 342.439 2.929 20 10 EFCDHM [O-]c1ccccc1CN(Cc1nc(C2CC2)no1)C[C@H]1CCCO1 ZINC000109761585 473121004 /nfs/dbraw/zinc/12/10/04/473121004.db2.gz QNJDQGLNNQATGG-OAHLLOKOSA-N -1 3 329.400 2.834 20 10 EFCDHM CN(Cc1ccccc1[O-])Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109773368 473121053 /nfs/dbraw/zinc/12/10/53/473121053.db2.gz OZBHIAMSMQXBKD-UHFFFAOYSA-N -1 3 330.340 2.799 20 10 EFCDHM CCCCN(CCCC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093963445 473165412 /nfs/dbraw/zinc/16/54/12/473165412.db2.gz ZRQZIQPSHDNWRA-UHFFFAOYSA-N -1 3 342.461 2.806 20 10 EFCDHM CC(C)CN(CC(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094133983 473179832 /nfs/dbraw/zinc/17/98/32/473179832.db2.gz CUDODDVENFDNRJ-UHFFFAOYSA-N -1 3 342.461 2.518 20 10 EFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000191316134 473526706 /nfs/dbraw/zinc/52/67/06/473526706.db2.gz VRBHBSKKGGJYST-CYBMUJFWSA-N -1 3 342.842 2.729 20 10 EFCDHM CCO[C@@H]1C[C@H](O)C12CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000191394941 473534529 /nfs/dbraw/zinc/53/45/29/473534529.db2.gz KAMMYISJZUBXGG-LSDHHAIUSA-N -1 3 343.826 2.937 20 10 EFCDHM CCn1nccc1N1CCC[C@@H](NCc2cccc(Cl)c2[O-])C1=O ZINC000191622248 473560711 /nfs/dbraw/zinc/56/07/11/473560711.db2.gz BCFSBRDHFGCHCD-CQSZACIVSA-N -1 3 348.834 2.547 20 10 EFCDHM CCn1nccc1N1CCC[C@H](NCc2cccc(Cl)c2[O-])C1=O ZINC000191622235 473561078 /nfs/dbraw/zinc/56/10/78/473561078.db2.gz BCFSBRDHFGCHCD-AWEZNQCLSA-N -1 3 348.834 2.547 20 10 EFCDHM Cn1ccnc1[C@H](O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000127118914 473578433 /nfs/dbraw/zinc/57/84/33/473578433.db2.gz NMAMNJWKRUILRZ-MRXNPFEDSA-N -1 3 335.835 2.725 20 10 EFCDHM Cc1cc(N2CC[C@@H](N[C@@H](C)c3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000186083050 473587197 /nfs/dbraw/zinc/58/71/97/473587197.db2.gz RCUWAQXPWJRCFK-SMDDNHRTSA-N -1 3 348.834 2.544 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000179368633 473680873 /nfs/dbraw/zinc/68/08/73/473680873.db2.gz ZGDMRUMXCSTYQZ-SNVBAGLBSA-N -1 3 342.779 2.539 20 10 EFCDHM CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000179440364 473687790 /nfs/dbraw/zinc/68/77/90/473687790.db2.gz GLOKVNNINRNNBP-UHFFFAOYSA-N -1 3 348.443 2.517 20 10 EFCDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c([O-])c1O ZINC000179478910 473689939 /nfs/dbraw/zinc/68/99/39/473689939.db2.gz NQZCEXNXBLRMGK-NSHDSACASA-N -1 3 340.379 2.782 20 10 EFCDHM Cc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c([O-])c1O ZINC000179524578 473692704 /nfs/dbraw/zinc/69/27/04/473692704.db2.gz XCYZJMNBPRGISU-UHFFFAOYSA-N -1 3 345.370 2.981 20 10 EFCDHM O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179561639 473694534 /nfs/dbraw/zinc/69/45/34/473694534.db2.gz ZRCVAJZJXCWNIE-UHFFFAOYSA-N -1 3 349.434 2.760 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)cc1F ZINC000179921645 473755600 /nfs/dbraw/zinc/75/56/00/473755600.db2.gz DDNYDIQBKFTVOC-UHFFFAOYSA-N -1 3 346.377 2.937 20 10 EFCDHM Cc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)s1 ZINC000179969839 473766700 /nfs/dbraw/zinc/76/67/00/473766700.db2.gz GYJQCUCULRHWML-UHFFFAOYSA-N -1 3 334.416 2.859 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000287815707 473767631 /nfs/dbraw/zinc/76/76/31/473767631.db2.gz JXVGMFRBWMETNO-IXDOHACOSA-N -1 3 339.391 2.743 20 10 EFCDHM CC[C@@H](NCCS(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287849466 473776383 /nfs/dbraw/zinc/77/63/83/473776383.db2.gz WSNFSRZSECQBBK-LLVKDONJSA-N -1 3 326.245 2.784 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(C)=C(Br)C2)c([O-])c1O ZINC000281754179 473826967 /nfs/dbraw/zinc/82/69/67/473826967.db2.gz JZEXCPZWHRZAIS-UHFFFAOYSA-N -1 3 326.190 2.921 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000180278746 473846468 /nfs/dbraw/zinc/84/64/68/473846468.db2.gz NPVNMGSXHHKXLE-HKUYNNGSSA-N -1 3 331.387 2.856 20 10 EFCDHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187766118 473916957 /nfs/dbraw/zinc/91/69/57/473916957.db2.gz ZSIGAHHSGSBBOM-VIFPVBQESA-N -1 3 325.359 2.826 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C)c(C)c1O ZINC000274750604 473943792 /nfs/dbraw/zinc/94/37/92/473943792.db2.gz FANUKANWNKQPGY-UHFFFAOYSA-N -1 3 335.381 2.847 20 10 EFCDHM CCCCCN(CC(N)=O)Cc1cc(Br)ccc1[O-] ZINC000180802760 473969465 /nfs/dbraw/zinc/96/94/65/473969465.db2.gz VRBGOIQWUBVOMI-UHFFFAOYSA-N -1 3 329.238 2.632 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000274863306 473994219 /nfs/dbraw/zinc/99/42/19/473994219.db2.gz BBXFKFHZIUTJBS-CQSZACIVSA-N -1 3 341.363 2.846 20 10 EFCDHM C[C@@H]1CN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)C[C@@H](C)O1 ZINC000275008628 474040603 /nfs/dbraw/zinc/04/06/03/474040603.db2.gz WQWNHJUBTPBYJC-CHWSQXEVSA-N -1 3 342.395 2.964 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000275016343 474043434 /nfs/dbraw/zinc/04/34/34/474043434.db2.gz YLVPKSRSTNXAEX-AWEZNQCLSA-N -1 3 343.379 2.625 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1occc1C ZINC000181588522 474049924 /nfs/dbraw/zinc/04/99/24/474049924.db2.gz JPTBWURXTILUKD-UHFFFAOYSA-N -1 3 337.759 2.762 20 10 EFCDHM Cc1ccc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)c([O-])c1O ZINC000181918681 474070085 /nfs/dbraw/zinc/07/00/85/474070085.db2.gz CFRRXDMZFREOCM-CQSZACIVSA-N -1 3 331.343 2.839 20 10 EFCDHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1O ZINC000182548436 474202946 /nfs/dbraw/zinc/20/29/46/474202946.db2.gz FHLXIFMVFGGCME-YYUOZPCZSA-N -1 3 347.436 2.977 20 10 EFCDHM Cc1ccc(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c([O-])c1O ZINC000182615911 474217634 /nfs/dbraw/zinc/21/76/34/474217634.db2.gz NKQZTXRTNOGWMV-LLVKDONJSA-N -1 3 339.351 2.947 20 10 EFCDHM Cc1ccc(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c([O-])c1O ZINC000182615891 474217871 /nfs/dbraw/zinc/21/78/71/474217871.db2.gz NKQZTXRTNOGWMV-NSHDSACASA-N -1 3 339.351 2.947 20 10 EFCDHM CC(C)N(CC(N)=O)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182953732 474296305 /nfs/dbraw/zinc/29/63/05/474296305.db2.gz WLNCRMOVBLJILL-UHFFFAOYSA-N -1 3 328.412 2.667 20 10 EFCDHM C[C@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1ncn(C)n1 ZINC000275808230 474326483 /nfs/dbraw/zinc/32/64/83/474326483.db2.gz ZFXFGWCHKDHOEE-IUCAKERBSA-N -1 3 325.210 2.695 20 10 EFCDHM C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289612052 474344393 /nfs/dbraw/zinc/34/43/93/474344393.db2.gz LGTCXYRFNKOACA-FZMZJTMJSA-N -1 3 345.270 2.994 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)[S@]1=O ZINC000289765457 474415839 /nfs/dbraw/zinc/41/58/39/474415839.db2.gz RBYWHRQUUFGMCJ-NMLGDKRHSA-N -1 3 346.290 2.886 20 10 EFCDHM O=C1[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCCN1C1CCCCC1 ZINC000276172045 474439193 /nfs/dbraw/zinc/43/91/93/474439193.db2.gz IUSVBTZLWNZYEB-INIZCTEOSA-N -1 3 347.415 2.714 20 10 EFCDHM CC(C)n1cc(CNCc2cccc(Br)c2[O-])nn1 ZINC000289828157 474446646 /nfs/dbraw/zinc/44/66/46/474446646.db2.gz UHPCQCMEKQCBMU-UHFFFAOYSA-N -1 3 325.210 2.617 20 10 EFCDHM COC(=O)CN(CC[C@@H]1CCCO1)Cc1cc(Cl)ccc1[O-] ZINC000189664279 474460057 /nfs/dbraw/zinc/46/00/57/474460057.db2.gz ROCCWNLPRSXMNK-AWEZNQCLSA-N -1 3 327.808 2.590 20 10 EFCDHM CCN(Cc1cc(Cl)cc(OC)c1[O-])C[C@@H](O)C(F)(F)F ZINC000189870905 474497321 /nfs/dbraw/zinc/49/73/21/474497321.db2.gz WMEKWGROCASXDI-LLVKDONJSA-N -1 3 327.730 2.799 20 10 EFCDHM CCC[C@]1(CO)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000290218173 474561522 /nfs/dbraw/zinc/56/15/22/474561522.db2.gz RISMQARRXIAPAR-HNNXBMFYSA-N -1 3 328.796 2.938 20 10 EFCDHM COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)n1 ZINC000290219525 474562185 /nfs/dbraw/zinc/56/21/85/474562185.db2.gz QSFXWYADKPMGPY-SNVBAGLBSA-N -1 3 333.344 2.563 20 10 EFCDHM Cc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c([O-])c1O ZINC000190229477 474567378 /nfs/dbraw/zinc/56/73/78/474567378.db2.gz FHJZZIOUSBLLLU-KSSFIOAISA-N -1 3 327.380 2.914 20 10 EFCDHM COc1cc(Cl)cc(CN2CCN(Cc3ccccn3)CC2)c1[O-] ZINC000184676015 474580287 /nfs/dbraw/zinc/58/02/87/474580287.db2.gz RPMSXLJATILXAQ-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)CCO3)c1 ZINC000277482707 474587265 /nfs/dbraw/zinc/58/72/65/474587265.db2.gz WTLBHOAZVOMQOL-QGZVFWFLSA-N -1 3 327.380 2.936 20 10 EFCDHM CC(C)OCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277568749 474590270 /nfs/dbraw/zinc/59/02/70/474590270.db2.gz XRSGJQOWKJEPJG-UHFFFAOYSA-N -1 3 340.807 2.625 20 10 EFCDHM COCC[C@@H]1COCCN1Cc1cc(Br)cc(C)c1[O-] ZINC000291350382 474600878 /nfs/dbraw/zinc/60/08/78/474600878.db2.gz XEMKQAJPXINUAG-CQSZACIVSA-N -1 3 344.249 2.700 20 10 EFCDHM COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1O ZINC000278153844 474602185 /nfs/dbraw/zinc/60/21/85/474602185.db2.gz CQGAMYUELCVRHR-UHFFFAOYSA-N -1 3 348.355 2.655 20 10 EFCDHM COc1ccccc1CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278270212 474604985 /nfs/dbraw/zinc/60/49/85/474604985.db2.gz RPNZVMJPUBGMDW-UHFFFAOYSA-N -1 3 332.356 2.950 20 10 EFCDHM COc1c([O-])c(CN2CCOC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278277190 474605367 /nfs/dbraw/zinc/60/53/67/474605367.db2.gz SNOVCTLDJPHIBN-UHFFFAOYSA-N -1 3 336.388 2.844 20 10 EFCDHM Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1[O-] ZINC000272426923 474611032 /nfs/dbraw/zinc/61/10/32/474611032.db2.gz CILWMXUUJRHZSU-UHFFFAOYSA-N -1 3 344.386 2.606 20 10 EFCDHM Cc1ccc(C(=O)N(C)C[C@H]2OCCc3ccccc32)c([O-])c1O ZINC000272727889 474624436 /nfs/dbraw/zinc/62/44/36/474624436.db2.gz GOGWODFDYNBCFY-MRXNPFEDSA-N -1 3 327.380 2.792 20 10 EFCDHM CC[C@H](C)c1nnc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])[nH]1 ZINC000278372384 474624692 /nfs/dbraw/zinc/62/46/92/474624692.db2.gz KUTVYJXNXAWCFY-VHSXEESVSA-N -1 3 349.391 2.791 20 10 EFCDHM CC[C@H](C)c1nc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])n[nH]1 ZINC000278372384 474624696 /nfs/dbraw/zinc/62/46/96/474624696.db2.gz KUTVYJXNXAWCFY-VHSXEESVSA-N -1 3 349.391 2.791 20 10 EFCDHM COc1c([O-])c(CNc2ccc(OC3COC3)cc2)ccc1[N+](=O)[O-] ZINC000278370576 474625079 /nfs/dbraw/zinc/62/50/79/474625079.db2.gz KMNUGJAUUCGBFA-UHFFFAOYSA-N -1 3 346.339 2.699 20 10 EFCDHM CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272840539 474626114 /nfs/dbraw/zinc/62/61/14/474626114.db2.gz REUYCLMTLRFKLG-CYBMUJFWSA-N -1 3 343.379 2.708 20 10 EFCDHM CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272840542 474626785 /nfs/dbraw/zinc/62/67/85/474626785.db2.gz REUYCLMTLRFKLG-ZDUSSCGKSA-N -1 3 343.379 2.708 20 10 EFCDHM COC(=O)CN(CCCCCCO)Cc1cc(Cl)ccc1[O-] ZINC000267474888 474671316 /nfs/dbraw/zinc/67/13/16/474671316.db2.gz FBBCLFZJLDBDJQ-UHFFFAOYSA-N -1 3 329.824 2.573 20 10 EFCDHM COc1c([O-])c(CNCc2ccc3c(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000278568914 474707884 /nfs/dbraw/zinc/70/78/84/474707884.db2.gz BRMINGIXNIRREO-UHFFFAOYSA-N -1 3 343.383 2.873 20 10 EFCDHM COc1cc(Cl)cc(CN(C)Cc2ncnn2CC(F)F)c1[O-] ZINC000278863834 474880644 /nfs/dbraw/zinc/88/06/44/474880644.db2.gz FBOGBWDYUADJOQ-UHFFFAOYSA-N -1 3 346.765 2.543 20 10 EFCDHM CCCOc1ncccc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278912468 474911499 /nfs/dbraw/zinc/91/14/99/474911499.db2.gz SRENFQKSDKYUHL-UHFFFAOYSA-N -1 3 347.371 2.783 20 10 EFCDHM C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1[O-] ZINC000273465745 474912513 /nfs/dbraw/zinc/91/25/13/474912513.db2.gz RCPIQUMVMCNDPV-GUYCJALGSA-N -1 3 343.402 2.768 20 10 EFCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(O[C@H]2CCOC2)c1 ZINC000279408124 474974362 /nfs/dbraw/zinc/97/43/62/474974362.db2.gz XAKBVPTTYQIPDN-AWEZNQCLSA-N -1 3 343.379 2.504 20 10 EFCDHM C[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1nncn1C ZINC000273593355 474980756 /nfs/dbraw/zinc/98/07/56/474980756.db2.gz PVGDXLQKGBMTEQ-IUCAKERBSA-N -1 3 325.210 2.695 20 10 EFCDHM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(O)c1[O-] ZINC000279829500 474995892 /nfs/dbraw/zinc/99/58/92/474995892.db2.gz BCDQVZNGOZFDBU-CZUORRHYSA-N -1 3 331.343 2.887 20 10 EFCDHM CCOCCOCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000280075942 475007275 /nfs/dbraw/zinc/00/72/75/475007275.db2.gz IAHZEIFCNXQHBV-UHFFFAOYSA-N -1 3 331.368 2.903 20 10 EFCDHM Cc1ccc([O-])c(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000280251876 475016966 /nfs/dbraw/zinc/01/69/66/475016966.db2.gz ZJBNPIZPBRRPRZ-WEVVVXLNSA-N -1 3 339.395 2.584 20 10 EFCDHM CC[C@H](NCC(=O)NCc1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000286114419 475052290 /nfs/dbraw/zinc/05/22/90/475052290.db2.gz NVBBAIYLHWGNOS-KRWDZBQOSA-N -1 3 346.402 2.897 20 10 EFCDHM COc1ccccc1O[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000286361178 475061821 /nfs/dbraw/zinc/06/18/21/475061821.db2.gz CHNVHEKPLFQKAC-ZDUSSCGKSA-N -1 3 343.379 2.790 20 10 EFCDHM C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CN1Cc1ccccc1 ZINC000295164210 475109785 /nfs/dbraw/zinc/10/97/85/475109785.db2.gz QWKIQPUWHNRRSW-OCCSQVGLSA-N -1 3 344.386 2.630 20 10 EFCDHM CC(C)n1cnnc1CN(C)Cc1cc(Br)ccc1[O-] ZINC000292761079 475185247 /nfs/dbraw/zinc/18/52/47/475185247.db2.gz JLQQHSUFYCQBIQ-UHFFFAOYSA-N -1 3 339.237 2.959 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000373209903 476384174 /nfs/dbraw/zinc/38/41/74/476384174.db2.gz MXJDBLZRFHIHQM-CQSZACIVSA-N -1 3 346.387 2.688 20 10 EFCDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000369587550 476427177 /nfs/dbraw/zinc/42/71/77/476427177.db2.gz UUJYYXWQOQGBRD-UHFFFAOYSA-N -1 3 336.779 2.987 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1COc1ccc(F)cc1 ZINC000374564286 476489204 /nfs/dbraw/zinc/48/92/04/476489204.db2.gz YOJIVISKFBJURM-ZDUSSCGKSA-N -1 3 331.343 2.921 20 10 EFCDHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000377681901 476517545 /nfs/dbraw/zinc/51/75/45/476517545.db2.gz XJKJBTUHMLLXMC-ZDUSSCGKSA-N -1 3 337.725 2.973 20 10 EFCDHM Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)c([O-])c1O ZINC000374936160 476602461 /nfs/dbraw/zinc/60/24/61/476602461.db2.gz MEQPDUQURSPUBI-AWEZNQCLSA-N -1 3 331.343 2.839 20 10 EFCDHM COc1cc(Cl)cc(CN2CCO[C@@H](COC(C)C)C2)c1[O-] ZINC000372115973 477647321 /nfs/dbraw/zinc/64/73/21/477647321.db2.gz HVFIKYPHSZMEAK-CQSZACIVSA-N -1 3 329.824 2.680 20 10 EFCDHM CCOC[C@@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)CCO1 ZINC000530107175 477877256 /nfs/dbraw/zinc/87/72/56/477877256.db2.gz QBMHSCKHSYRKDY-INIZCTEOSA-N -1 3 331.412 2.791 20 10 EFCDHM Cc1nc2ccccc2n1CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177667167 534684545 /nfs/dbraw/zinc/68/45/45/534684545.db2.gz FVSOLPPMPZHKFD-UHFFFAOYSA-N -1 3 339.395 2.884 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000177100820 527206723 /nfs/dbraw/zinc/20/67/23/527206723.db2.gz ISTZNQLEVNBNIE-GFCCVEGCSA-N -1 3 339.819 2.833 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)OCCO3)c1[O-] ZINC000177248469 527207131 /nfs/dbraw/zinc/20/71/31/527207131.db2.gz QXNDVMHEEZZZIJ-UHFFFAOYSA-N -1 3 325.792 2.587 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCOC1 ZINC000175848690 528764405 /nfs/dbraw/zinc/76/44/05/528764405.db2.gz CPGFXWUJXAOUTQ-JTQLQIEISA-N -1 3 328.206 2.540 20 10 EFCDHM CCCn1c(C)nnc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000162997894 528813700 /nfs/dbraw/zinc/81/37/00/528813700.db2.gz DIHDSTSGKZQAEZ-QGZVFWFLSA-N -1 3 344.459 2.883 20 10 EFCDHM COc1c([O-])c(CN2CCC[C@@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365125341 536861843 /nfs/dbraw/zinc/86/18/43/536861843.db2.gz ZRXZONJZRCOJJP-CQSZACIVSA-N -1 3 336.388 2.700 20 10 EFCDHM COc1c([O-])c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886615 536862215 /nfs/dbraw/zinc/86/22/15/536862215.db2.gz LBXYCRBHMVMBNT-WMLDXEAASA-N -1 3 348.399 2.843 20 10 EFCDHM O=C([O-])c1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000756302242 575713867 /nfs/dbraw/zinc/71/38/67/575713867.db2.gz PQEDIGREJGZGGE-UHFFFAOYSA-N -1 3 344.386 2.650 20 10 EFCDHM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000756360470 575722934 /nfs/dbraw/zinc/72/29/34/575722934.db2.gz HNVMFQORFDSGEY-INIZCTEOSA-N -1 3 332.425 2.500 20 10 EFCDHM C[C@H](NCc1ccc(-n2ccnc2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756391314 575729645 /nfs/dbraw/zinc/72/96/45/575729645.db2.gz LQYNUNUSAVGZOD-LBPRGKRZSA-N -1 3 339.355 2.732 20 10 EFCDHM C[C@H](NCc1cccnc1-n1cccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756393988 575729891 /nfs/dbraw/zinc/72/98/91/575729891.db2.gz VBJCGUWDVNVBBU-LBPRGKRZSA-N -1 3 339.355 2.732 20 10 EFCDHM COCCOc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000756432502 575738571 /nfs/dbraw/zinc/73/85/71/575738571.db2.gz IXZPLTBWIUQDCY-NSHDSACASA-N -1 3 338.354 2.941 20 10 EFCDHM C[C@@H](NC[C@@H](O)C(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756448782 575741561 /nfs/dbraw/zinc/74/15/61/575741561.db2.gz FYDVGUNTEJWHEB-GPXNAGAYSA-N -1 3 346.118 2.868 20 10 EFCDHM CCN(CC)C(=O)CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756454153 575741856 /nfs/dbraw/zinc/74/18/56/575741856.db2.gz BBLLCWDVNCJANI-VIFPVBQESA-N -1 3 347.228 2.813 20 10 EFCDHM C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1cc(F)cc(F)c1[O-] ZINC000756460574 575742913 /nfs/dbraw/zinc/74/29/13/575742913.db2.gz SFSZVHSIIBNPJK-BMIGLBTASA-N -1 3 337.370 2.587 20 10 EFCDHM C[C@@H](NCc1nnnn1-c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756490769 575747967 /nfs/dbraw/zinc/74/79/67/575747967.db2.gz SHOVDMBPSJOVMX-LLVKDONJSA-N -1 3 329.791 2.872 20 10 EFCDHM C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000756650024 575772542 /nfs/dbraw/zinc/77/25/42/575772542.db2.gz SVHKTIXIKQUSCD-VIFPVBQESA-N -1 3 328.359 2.940 20 10 EFCDHM C[C@H](NCC(=O)NC1CCCC1)c1cc(Br)ccc1[O-] ZINC000756706941 575779128 /nfs/dbraw/zinc/77/91/28/575779128.db2.gz RFVMMGQEOIAUIY-JTQLQIEISA-N -1 3 341.249 2.864 20 10 EFCDHM C[C@H](NC[C@@H](O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756742161 575783046 /nfs/dbraw/zinc/78/30/46/575783046.db2.gz ZXDIEEQPPMKSBS-BJOHPYRUSA-N -1 3 338.310 2.963 20 10 EFCDHM CCc1nn(C)c(CC)c1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756770477 575785559 /nfs/dbraw/zinc/78/55/59/575785559.db2.gz XRBFWPWJRFXCPB-LBPRGKRZSA-N -1 3 345.443 2.888 20 10 EFCDHM C[C@@H]1C[C@@H](Nc2cnn(CC(=O)NC3CC3)c2)c2c1c(F)ccc2[O-] ZINC000757636289 575846564 /nfs/dbraw/zinc/84/65/64/575846564.db2.gz GBBMQBYWRVTLAZ-QMTHXVAHSA-N -1 3 344.390 2.667 20 10 EFCDHM C[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1cc(F)cc(F)c1[O-] ZINC000757660280 575848347 /nfs/dbraw/zinc/84/83/47/575848347.db2.gz DKLSTMSCIOFFRA-SNVBAGLBSA-N -1 3 332.350 2.807 20 10 EFCDHM Cc1ccccc1[C@H]1C(=O)NCCN1Cc1c([O-])ccc2ccncc21 ZINC000758990530 575882126 /nfs/dbraw/zinc/88/21/26/575882126.db2.gz JHDNTIXXSHXUDH-FQEVSTJZSA-N -1 3 347.418 2.922 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC1(C)CC1 ZINC000760489837 576033294 /nfs/dbraw/zinc/03/32/94/576033294.db2.gz BNQBXZPLNKTMQB-UHFFFAOYSA-N -1 3 325.792 2.737 20 10 EFCDHM Cc1noc(C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)n1 ZINC000760760483 576071361 /nfs/dbraw/zinc/07/13/61/576071361.db2.gz MJXNUZNRUGHFND-CQSZACIVSA-N -1 3 339.351 2.503 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nn(C)c3ccccc23)c1 ZINC000760897424 576086195 /nfs/dbraw/zinc/08/61/95/576086195.db2.gz LRXQURKNYRDIGU-GFCCVEGCSA-N -1 3 339.395 2.916 20 10 EFCDHM Cc1noc(C[C@H](NC(=O)c2cc([O-])cs2)c2ccccc2)n1 ZINC000760922617 576088404 /nfs/dbraw/zinc/08/84/04/576088404.db2.gz RTUNZJAVOPKHGS-ZDUSSCGKSA-N -1 3 329.381 2.859 20 10 EFCDHM COc1cc(Cl)cc(CN(C)CC(=O)Nc2cc(C)ccn2)c1[O-] ZINC000761194738 576128082 /nfs/dbraw/zinc/12/80/82/576128082.db2.gz HBAVFKZGPSUJKT-UHFFFAOYSA-N -1 3 349.818 2.828 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCCSC1 ZINC000761508912 576172772 /nfs/dbraw/zinc/17/27/72/576172772.db2.gz WRSXICXYYZLOTK-LBPRGKRZSA-N -1 3 340.832 2.705 20 10 EFCDHM COc1ccccc1[C@H](NC(=O)c1cc([O-])cs1)c1noc(C)n1 ZINC000762571445 576314154 /nfs/dbraw/zinc/31/41/54/576314154.db2.gz ZNIIJDTXFSAGFD-AWEZNQCLSA-N -1 3 345.380 2.673 20 10 EFCDHM CN(CCCNC(=O)C1CCC1)Cc1c([O-])ccc(Cl)c1F ZINC000763621542 576383030 /nfs/dbraw/zinc/38/30/30/576383030.db2.gz DXEBXYMFNAOATA-UHFFFAOYSA-N -1 3 328.815 2.923 20 10 EFCDHM C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCS(=O)(=O)C1 ZINC000763669778 576385647 /nfs/dbraw/zinc/38/56/47/576385647.db2.gz BLPXPFBKLJADSG-HNNXBMFYSA-N -1 3 345.464 2.926 20 10 EFCDHM O=C(O[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc([O-])cs1 ZINC000763690763 576387614 /nfs/dbraw/zinc/38/76/14/576387614.db2.gz FMPXZIKGDOURQZ-CYBMUJFWSA-N -1 3 335.356 2.945 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000764421348 576457145 /nfs/dbraw/zinc/45/71/45/576457145.db2.gz RWTSGCVBRYYMDS-UHFFFAOYSA-N -1 3 342.370 2.536 20 10 EFCDHM CCOc1ccc(CN2CCN(c3cccc(F)c3)C(=O)C2)c([O-])c1 ZINC000765686088 577066506 /nfs/dbraw/zinc/06/65/06/577066506.db2.gz WHBKTEWEPXYNSI-UHFFFAOYSA-N -1 3 344.386 2.779 20 10 EFCDHM C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765770885 577074733 /nfs/dbraw/zinc/07/47/33/577074733.db2.gz RUZCMJSARLUVQO-PHIMTYICSA-N -1 3 341.249 2.644 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(CCc2ccccc2)CC1 ZINC000768216213 577261276 /nfs/dbraw/zinc/26/12/76/577261276.db2.gz RHMQDJWBMQYEBU-UHFFFAOYSA-N -1 3 326.440 2.761 20 10 EFCDHM CCOc1ccc(CN2CCN(c3nc(C)cs3)CC2)c([O-])c1 ZINC000768301895 577265111 /nfs/dbraw/zinc/26/51/11/577265111.db2.gz AKGIIJKCQVHIHN-UHFFFAOYSA-N -1 3 333.457 2.878 20 10 EFCDHM C[C@]1(c2ccccc2)CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768462727 577275942 /nfs/dbraw/zinc/27/59/42/577275942.db2.gz CFSJHFKWWIYWHK-UYAOXDASSA-N -1 3 341.407 2.566 20 10 EFCDHM [O-]c1cc2c(cc1CN1Cc3ccccc3C(F)(F)C1)[C@@H](O)CO2 ZINC000768463795 577275971 /nfs/dbraw/zinc/27/59/71/577275971.db2.gz XDKFAQMUEDOVQT-INIZCTEOSA-N -1 3 333.334 2.926 20 10 EFCDHM CCCN(CC(=O)OCC)Cc1cc(Br)ccc1[O-] ZINC000768998039 577323064 /nfs/dbraw/zinc/32/30/64/577323064.db2.gz KTYMAHDFZHBREA-UHFFFAOYSA-N -1 3 330.222 2.930 20 10 EFCDHM CC(C)COC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769229565 577345813 /nfs/dbraw/zinc/34/58/13/577345813.db2.gz NJUVXFIZQHVJDI-UHFFFAOYSA-N -1 3 326.824 2.956 20 10 EFCDHM COc1cc(Br)cc(CN(C)Cc2ccon2)c1[O-] ZINC000769465560 577364282 /nfs/dbraw/zinc/36/42/82/577364282.db2.gz HKOOJQNVUVKWED-UHFFFAOYSA-N -1 3 327.178 2.783 20 10 EFCDHM NC(=O)CCC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000769468691 577364839 /nfs/dbraw/zinc/36/48/39/577364839.db2.gz OGXBCLVORUVYFW-UHFFFAOYSA-N -1 3 341.249 2.632 20 10 EFCDHM CCOc1ccc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c([O-])c1 ZINC000769482888 577365974 /nfs/dbraw/zinc/36/59/74/577365974.db2.gz KPPRMSZOPWQYDF-RDJZCZTQSA-N -1 3 341.473 2.579 20 10 EFCDHM COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(C)c(C)c1 ZINC000769623841 577375839 /nfs/dbraw/zinc/37/58/39/577375839.db2.gz BRYZMGGXFKWDGW-HNNXBMFYSA-N -1 3 343.379 2.667 20 10 EFCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])CC12CCCCC2 ZINC000770298688 577410479 /nfs/dbraw/zinc/41/04/79/577410479.db2.gz BGQWHZPAAWOXLH-UHFFFAOYSA-N -1 3 343.876 2.979 20 10 EFCDHM COc1cccc([O-])c1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000770349241 577412303 /nfs/dbraw/zinc/41/23/03/577412303.db2.gz FMLPAOHSCXMBMF-QFBILLFUSA-N -1 3 343.423 2.725 20 10 EFCDHM COCCOc1ccc(F)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770487168 577421127 /nfs/dbraw/zinc/42/11/27/577421127.db2.gz XHMOLXDZDDBLLM-UHFFFAOYSA-N -1 3 335.331 2.823 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)c([O-])c1O ZINC000770486952 577421167 /nfs/dbraw/zinc/42/11/67/577421167.db2.gz ZWHWNHYAYVJNEA-UHFFFAOYSA-N -1 3 342.351 2.611 20 10 EFCDHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000770506172 577422095 /nfs/dbraw/zinc/42/20/95/577422095.db2.gz WSFPCPLRSQTDLN-BBRMVZONSA-N -1 3 336.432 2.506 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@](C)(O)C(C)C ZINC000771408246 581208897 /nfs/dbraw/zinc/20/88/97/581208897.db2.gz RFADLICFRFRAAS-OAHLLOKOSA-N -1 3 344.249 2.910 20 10 EFCDHM COC(=O)CC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCCCC1 ZINC000771532527 581220978 /nfs/dbraw/zinc/22/09/78/581220978.db2.gz WJUDISKGWFFYSN-UHFFFAOYSA-N -1 3 335.400 2.650 20 10 EFCDHM Cc1ccnc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)c1 ZINC000772119546 581284846 /nfs/dbraw/zinc/28/48/46/581284846.db2.gz FCPAZTOIIQENDO-UHFFFAOYSA-N -1 3 331.759 2.718 20 10 EFCDHM COc1c([O-])c([C@@H]2Nc3ccccc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000772174522 581292109 /nfs/dbraw/zinc/29/21/09/581292109.db2.gz CJFQTEGQLGTRBW-OAHLLOKOSA-N -1 3 329.312 2.505 20 10 EFCDHM COc1c([O-])c([C@@H]2Nc3ccc(C)cc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000772174361 581292175 /nfs/dbraw/zinc/29/21/75/581292175.db2.gz ANCGACLKLDVKNG-MRXNPFEDSA-N -1 3 343.339 2.814 20 10 EFCDHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)c[nH]1 ZINC000773089144 581395528 /nfs/dbraw/zinc/39/55/28/581395528.db2.gz SDPGVHOQPDOYCM-GFCCVEGCSA-N -1 3 336.461 2.639 20 10 EFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C1(F)CCCC1 ZINC000773610882 581450359 /nfs/dbraw/zinc/45/03/59/581450359.db2.gz MGFSNOMOBCLWEG-UHFFFAOYSA-N -1 3 343.782 2.830 20 10 EFCDHM C[C@@H](NC[C@H](C)S(C)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000774266602 581488395 /nfs/dbraw/zinc/48/83/95/581488395.db2.gz REMOAPHNAQGJON-JGVFFNPUSA-N -1 3 326.245 2.783 20 10 EFCDHM COc1c([O-])c(CNc2ccc(CNC(C)=O)cc2)ccc1[N+](=O)[O-] ZINC000774934990 581504540 /nfs/dbraw/zinc/50/45/40/581504540.db2.gz CGBTVGDPXASMAG-UHFFFAOYSA-N -1 3 345.355 2.557 20 10 EFCDHM COc1c([O-])c(CNc2cccc(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000774936423 581504567 /nfs/dbraw/zinc/50/45/67/581504567.db2.gz SPCHDQCRHZYJAS-UHFFFAOYSA-N -1 3 345.355 2.623 20 10 EFCDHM COc1c([O-])c(CNCc2ccc(NC(C)=O)cc2)ccc1[N+](=O)[O-] ZINC000774950282 581504999 /nfs/dbraw/zinc/50/49/99/581504999.db2.gz OECNTFNLDFEIPP-UHFFFAOYSA-N -1 3 345.355 2.557 20 10 EFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3CCSC[C@H]3CC(=O)[O-])c2c1 ZINC000738080304 600705124 /nfs/dbraw/zinc/70/51/24/600705124.db2.gz ZVGBMRSRWRXJSF-CYBMUJFWSA-N -1 3 347.436 2.946 20 10 EFCDHM COc1ccc2ccc([O-])c(C[N@H+]3CCSC[C@H]3CC(=O)[O-])c2c1 ZINC000738080304 600705126 /nfs/dbraw/zinc/70/51/26/600705126.db2.gz ZVGBMRSRWRXJSF-CYBMUJFWSA-N -1 3 347.436 2.946 20 10 EFCDHM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC000830831232 601805674 /nfs/dbraw/zinc/80/56/74/601805674.db2.gz VFZKDSHDFVMGFL-UHFFFAOYSA-N -1 3 346.452 2.915 20 10 EFCDHM CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000833584881 605361436 /nfs/dbraw/zinc/36/14/36/605361436.db2.gz SSJOESDUBLFXNY-CVEARBPZSA-N -1 3 347.411 2.521 20 10 EFCDHM CC1=C(C(=O)[O-])C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000833584881 605361445 /nfs/dbraw/zinc/36/14/45/605361445.db2.gz SSJOESDUBLFXNY-CVEARBPZSA-N -1 3 347.411 2.521 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821110304 606583879 /nfs/dbraw/zinc/58/38/79/606583879.db2.gz ZMTUSDWGOOBWTM-UHFFFAOYSA-N -1 3 343.412 2.686 20 10 EFCDHM CCCN(Cc1ccccc1O)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821110304 606583881 /nfs/dbraw/zinc/58/38/81/606583881.db2.gz ZMTUSDWGOOBWTM-UHFFFAOYSA-N -1 3 343.412 2.686 20 10 EFCDHM COc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2F)cc1OC ZINC000826209343 608389278 /nfs/dbraw/zinc/38/92/78/608389278.db2.gz XXMVUSDSTMKPJO-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM COc1ccc(N(C)Cc2cccc(-c3nn[n-]n3)c2F)cc1OC ZINC000826209343 608389280 /nfs/dbraw/zinc/38/92/80/608389280.db2.gz XXMVUSDSTMKPJO-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1cnccc1-c1nnn[n-]1 ZINC000825965899 608768959 /nfs/dbraw/zinc/76/89/59/608768959.db2.gz HNKZMQDTWBESIR-UHFFFAOYSA-N -1 3 349.442 2.888 20 10 EFCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1cnccc1-c1nn[n-]n1 ZINC000825965899 608768960 /nfs/dbraw/zinc/76/89/60/608768960.db2.gz HNKZMQDTWBESIR-UHFFFAOYSA-N -1 3 349.442 2.888 20 10 EFCDHM Cn1ncc(C2CC2)c1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850380209 1250455928 /nfs/dbraw/zinc/45/59/28/1250455928.db2.gz QHPLHMLUTGIACK-UHFFFAOYSA-N -1 3 336.779 2.855 20 10 EFCDHM C[C@@H](NCc1nc(C(N)=O)cs1)c1cccc(C(F)(F)F)c1[O-] ZINC000850539711 1250528525 /nfs/dbraw/zinc/52/85/25/1250528525.db2.gz FQICUPTZRCQDJL-SSDOTTSWSA-N -1 3 345.346 2.817 20 10 EFCDHM CCCN(CC(N)=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708140221 1259678240 /nfs/dbraw/zinc/67/82/40/1259678240.db2.gz JHWGRFNTQOOMJC-UHFFFAOYSA-N -1 3 335.629 2.505 20 10 EFCDHM C[C@]1(C(N)=O)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708140913 1259678384 /nfs/dbraw/zinc/67/83/84/1259678384.db2.gz PFEORYQRPCAJRM-ZDUSSCGKSA-N -1 3 347.640 2.505 20 10 EFCDHM Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000055522235 1260910564 /nfs/dbraw/zinc/91/05/64/1260910564.db2.gz UFBIOTWMNKJFGY-UHFFFAOYSA-N -1 3 344.386 2.606 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2cccc(F)c2)CC1 ZINC000529625102 1261152146 /nfs/dbraw/zinc/15/21/46/1261152146.db2.gz FAMMAAFGOIIATM-UHFFFAOYSA-N -1 3 331.343 2.921 20 10 EFCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])cccc2F)N1CC(F)(F)F ZINC001273265068 1265191555 /nfs/dbraw/zinc/19/15/55/1265191555.db2.gz AMGGDSIYWNDTKO-CHWSQXEVSA-N -1 3 346.324 2.659 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000824920299 1278353561 /nfs/dbraw/zinc/35/35/61/1278353561.db2.gz JRBIXQFLAIHCPW-CABCVRRESA-N -1 3 342.233 2.535 20 10 EFCDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(O)c1[O-] ZINC000186966159 1268618238 /nfs/dbraw/zinc/61/82/38/1268618238.db2.gz RKNHLWNVNBWEJD-UHFFFAOYSA-N -1 3 344.436 2.581 20 10 EFCDHM Cc1nc(C(C)(C)NCc2ccc(Br)cc2[O-])no1 ZINC000825223087 1278467886 /nfs/dbraw/zinc/46/78/86/1278467886.db2.gz XQRQQCMMXICKNB-UHFFFAOYSA-N -1 3 326.194 2.871 20 10 EFCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c(cc1[O-])OCO2 ZINC000743718849 1270720157 /nfs/dbraw/zinc/72/01/57/1270720157.db2.gz LYNXLIQTSHKVII-UHFFFAOYSA-N -1 3 341.363 2.635 20 10 EFCDHM COC(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000792164766 1278602840 /nfs/dbraw/zinc/60/28/40/1278602840.db2.gz DSNMKCGVBTYZBD-LLVKDONJSA-N -1 3 327.783 2.960 20 10 EFCDHM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000843936924 1278687397 /nfs/dbraw/zinc/68/73/97/1278687397.db2.gz TWKGKAHVFCCLJM-MNOVXSKESA-N -1 3 338.404 2.519 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC(=O)N(C)[C@@H]2c2ccccc2)c1[O-] ZINC000788470501 1276187744 /nfs/dbraw/zinc/18/77/44/1276187744.db2.gz SZIHHOSNVSNSHS-IBGZPJMESA-N -1 3 342.370 2.707 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(COCCO)cc2)c1 ZINC000818362191 1276519531 /nfs/dbraw/zinc/51/95/31/1276519531.db2.gz RFDOXMQNPNEOEQ-ZDUSSCGKSA-N -1 3 345.395 2.861 20 10 EFCDHM COc1ccc(N2CC[C@H](CNC(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000819587377 1276829733 /nfs/dbraw/zinc/82/97/33/1276829733.db2.gz YLMIDCHHYHKWJL-OAHLLOKOSA-N -1 3 340.423 2.966 20 10 EFCDHM CCCCOc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c([O-])c1 ZINC000789816378 1277033553 /nfs/dbraw/zinc/03/35/53/1277033553.db2.gz NDRFTISLGIZDLG-UHFFFAOYSA-N -1 3 345.395 2.955 20 10 EFCDHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000789938504 1277102699 /nfs/dbraw/zinc/10/26/99/1277102699.db2.gz COMAVGVEOLKTGK-ZDUSSCGKSA-N -1 3 348.374 2.787 20 10 EFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000790576610 1277680758 /nfs/dbraw/zinc/68/07/58/1277680758.db2.gz MGDXULSPDZWPIJ-LLVKDONJSA-N -1 3 342.351 2.545 20 10 EFCDHM CC(=O)N1CCCc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC000790615567 1277699572 /nfs/dbraw/zinc/69/95/72/1277699572.db2.gz VRKGTXYRCLRQMZ-UHFFFAOYSA-N -1 3 326.352 2.649 20 10 EFCDHM O=C(NCCc1nc(-c2ccncc2)cs1)c1cccc(O)c1[O-] ZINC000790626176 1277701252 /nfs/dbraw/zinc/70/12/52/1277701252.db2.gz BYOSCRQAPRMEPH-UHFFFAOYSA-N -1 3 341.392 2.589 20 10 EFCDHM COC(=O)CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790663205 1277727653 /nfs/dbraw/zinc/72/76/53/1277727653.db2.gz QPCQHNOGJJEMOY-AWEZNQCLSA-N -1 3 329.352 2.522 20 10 EFCDHM COc1ccc(OC(F)F)c(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790875198 1277819114 /nfs/dbraw/zinc/81/91/14/1277819114.db2.gz CYPSROBUPLIPPU-UHFFFAOYSA-N -1 3 339.294 2.638 20 10 EFCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1c(F)cccc1F ZINC000790919951 1277845084 /nfs/dbraw/zinc/84/50/84/1277845084.db2.gz WQDDKPJJWFHZFK-BLLLJJGKSA-N -1 3 337.322 2.618 20 10 EFCDHM O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000790915531 1277867120 /nfs/dbraw/zinc/86/71/20/1277867120.db2.gz CRFRSWXPQZCTDK-LBPRGKRZSA-N -1 3 341.285 2.580 20 10 EFCDHM Cn1cc(NCc2cc(Br)ccc2[O-])cc(F)c1=O ZINC001171176721 1279571975 /nfs/dbraw/zinc/57/19/75/1279571975.db2.gz XYUDGTAGXQWNFN-UHFFFAOYSA-N -1 3 327.153 2.605 20 10 EFCDHM Cn1cc(NCc2cc(Br)ccc2[O-])c2cc[nH]c2c1=O ZINC001171177792 1279584380 /nfs/dbraw/zinc/58/43/80/1279584380.db2.gz KADGZZUMTWZAPP-UHFFFAOYSA-N -1 3 348.200 2.947 20 10 EFCDHM C[C@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C1 ZINC000793585591 1279757601 /nfs/dbraw/zinc/75/76/01/1279757601.db2.gz BTIZOMGHYLXONE-QWRGUYRKSA-N -1 3 333.259 2.586 20 10 EFCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])[C@H]1CCC[C@@H](OC)C1 ZINC000846106701 1280037318 /nfs/dbraw/zinc/03/73/18/1280037318.db2.gz DNSSSKUOXDEFQE-SGIREYDYSA-N -1 3 341.835 2.882 20 10 EFCDHM CNC(=O)Nc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1F ZINC000804399341 1280198639 /nfs/dbraw/zinc/19/86/39/1280198639.db2.gz NNIAOXCOKWZOPL-UHFFFAOYSA-N -1 3 333.319 2.549 20 10 EFCDHM O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000807795896 1281433039 /nfs/dbraw/zinc/43/30/39/1281433039.db2.gz MHKQYHYSRZTEFQ-CYBMUJFWSA-N -1 3 341.285 2.580 20 10 EFCDHM CN(Cc1ncccc1C(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC001148212272 1281453821 /nfs/dbraw/zinc/45/38/21/1281453821.db2.gz VCKLGTWCPYDNQB-UHFFFAOYSA-N -1 3 326.274 2.784 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)C1CCOCC1 ZINC001148213870 1281454230 /nfs/dbraw/zinc/45/42/30/1281454230.db2.gz LTODUKKBVSTIQN-UHFFFAOYSA-N -1 3 327.380 2.919 20 10 EFCDHM CCOC(=O)c1cc2c(s1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001148213484 1281454425 /nfs/dbraw/zinc/45/44/25/1281454425.db2.gz CGWZEQHLTBOFPU-UHFFFAOYSA-N -1 3 347.392 2.535 20 10 EFCDHM O=C(Nc1nc2[nH]ccc2cc1Br)c1cccc(O)c1[O-] ZINC001148212062 1281454603 /nfs/dbraw/zinc/45/46/03/1281454603.db2.gz KCXHUIMWVBAKMO-UHFFFAOYSA-N -1 3 348.156 2.941 20 10 EFCDHM COC(=O)c1c[nH]c2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC001148218969 1281456620 /nfs/dbraw/zinc/45/66/20/1281456620.db2.gz PPTNFDNOKUGXFE-UHFFFAOYSA-N -1 3 326.308 2.618 20 10 EFCDHM Nc1cc(F)c(Br)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148218694 1281456660 /nfs/dbraw/zinc/45/66/60/1281456660.db2.gz HINJEDUEISHYRH-UHFFFAOYSA-N -1 3 341.136 2.834 20 10 EFCDHM O=C(Nc1ccc(OCC2CCC2)nc1)c1cc(O)c([O-])c(O)c1 ZINC001148581200 1281658070 /nfs/dbraw/zinc/65/80/70/1281658070.db2.gz OXQIJGWCSVNBAN-UHFFFAOYSA-N -1 3 330.340 2.630 20 10 EFCDHM COc1nc(NC(=O)c2cc(O)c([O-])c(O)c2)cc2ccccc21 ZINC001148582202 1281658535 /nfs/dbraw/zinc/65/85/35/1281658535.db2.gz FLVRXFDHEBKCEP-UHFFFAOYSA-N -1 3 326.308 2.613 20 10 EFCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001148584123 1281661196 /nfs/dbraw/zinc/66/11/96/1281661196.db2.gz OVZGPWCTPNRQOB-CQSZACIVSA-N -1 3 327.380 2.898 20 10 EFCDHM Cn1cc(NCc2cc3ccccc3cc2[O-])cc([N+](=O)[O-])c1=O ZINC001171405021 1283590608 /nfs/dbraw/zinc/59/06/08/1283590608.db2.gz PPIQHZWRAKKGMM-UHFFFAOYSA-N -1 3 325.324 2.764 20 10 EFCDHM Cc1nnc([C@@H](C)NCc2cc(Br)cc(F)c2[O-])[nH]1 ZINC000715718456 1284314662 /nfs/dbraw/zinc/31/46/62/1284314662.db2.gz NMJHIUNBYYXZQM-ZCFIWIBFSA-N -1 3 329.173 2.571 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CC(O)(c2ccccc2)C1 ZINC000811509959 1284388180 /nfs/dbraw/zinc/38/81/80/1284388180.db2.gz NJTNSFBYLXFVDY-UHFFFAOYSA-N -1 3 334.213 2.858 20 10 EFCDHM CC[C@]1(CNC(=O)c2cccc(O)c2[O-])OCCc2ccccc21 ZINC000811589689 1284429055 /nfs/dbraw/zinc/42/90/55/1284429055.db2.gz OQYOVQCBLBHDGY-LJQANCHMSA-N -1 3 327.380 2.706 20 10 EFCDHM C[C@@H](CN(C(=O)c1cccc(O)c1[O-])[C@@H](C)CO)c1ccccc1 ZINC000813670148 1286057941 /nfs/dbraw/zinc/05/79/41/1286057941.db2.gz PTDIRRNEPJGOSN-KBPBESRZSA-N -1 3 329.396 2.725 20 10 EFCDHM Cc1cnc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000813811241 1286137667 /nfs/dbraw/zinc/13/76/67/1286137667.db2.gz VGTWXFLQQUMFDZ-CQSZACIVSA-N -1 3 349.818 2.736 20 10 EFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000816517630 1288188324 /nfs/dbraw/zinc/18/83/24/1288188324.db2.gz XLIVXBYWHUIYQP-ZDUSSCGKSA-N -1 3 329.799 2.955 20 10 EFCDHM CC[C@@H]1CN(Cc2ccc3ccccc3c2[O-])C[C@H](C)S1(=O)=O ZINC000816609464 1288223488 /nfs/dbraw/zinc/22/34/88/1288223488.db2.gz CHONAICZEUWAGR-XJKSGUPXSA-N -1 3 333.453 2.943 20 10 EFCDHM CN1CCCC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001178701852 1288877564 /nfs/dbraw/zinc/87/75/64/1288877564.db2.gz PEHKLSICYRAPSK-AWEZNQCLSA-N -1 3 333.819 2.694 20 10 EFCDHM CCOC(=O)[C@H]1CSCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824548901 1289695627 /nfs/dbraw/zinc/69/56/27/1289695627.db2.gz ULCWOOJLOGIPKM-CYBMUJFWSA-N -1 3 329.849 2.835 20 10 EFCDHM CCOC(=O)[C@@H]1CSCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824548909 1289695991 /nfs/dbraw/zinc/69/59/91/1289695991.db2.gz ULCWOOJLOGIPKM-ZDUSSCGKSA-N -1 3 329.849 2.835 20 10 EFCDHM Cc1cc([O-])c(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000824565981 1289701686 /nfs/dbraw/zinc/70/16/86/1289701686.db2.gz AGFNKQBTPZNOKD-ZDUSSCGKSA-N -1 3 329.849 2.506 20 10 EFCDHM CCOC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])[C@H]1CCCOC1 ZINC000825671783 1289701818 /nfs/dbraw/zinc/70/18/18/1289701818.db2.gz PJUATQRTGVUHBO-BLLLJJGKSA-N -1 3 341.835 2.802 20 10 EFCDHM COC(=O)[C@H]1CCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250120799 1290382073 /nfs/dbraw/zinc/38/20/73/1290382073.db2.gz QHSDMLGHNKNNES-GFCCVEGCSA-N -1 3 328.206 2.601 20 10 EFCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@]2(CCOC2)O1 ZINC000825754073 1290417328 /nfs/dbraw/zinc/41/73/28/1290417328.db2.gz ZGKKEJYBFYQZKD-ABAIWWIYSA-N -1 3 342.233 2.535 20 10 EFCDHM CCOC(=O)CN(Cc1cc(Br)ccc1[O-])C1CC1 ZINC000091772961 1290429333 /nfs/dbraw/zinc/42/93/33/1290429333.db2.gz QSDVUURAIDKOBI-UHFFFAOYSA-N -1 3 328.206 2.682 20 10 EFCDHM CC(C)OC(=O)CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001184449201 1290461068 /nfs/dbraw/zinc/46/10/68/1290461068.db2.gz JVBMKORHPIYYOU-UHFFFAOYSA-N -1 3 336.775 2.552 20 10 EFCDHM CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092456498 1290755865 /nfs/dbraw/zinc/75/58/65/1290755865.db2.gz XUINMWYDGSYODL-JTQLQIEISA-N -1 3 342.779 2.729 20 10 EFCDHM O=C(c1cccc(O)c1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092937675 1290943508 /nfs/dbraw/zinc/94/35/08/1290943508.db2.gz IEAUFURVEWNORF-UHFFFAOYSA-N -1 3 346.814 2.709 20 10 EFCDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])C[C@@H]1F ZINC001232973777 1312823781 /nfs/dbraw/zinc/82/37/81/1312823781.db2.gz ALQNKPHNWZZVLG-KCJUWKMLSA-N -1 3 335.160 2.787 20 10 EFCDHM [O-]c1cc(I)ccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001232977694 1312824524 /nfs/dbraw/zinc/82/45/24/1312824524.db2.gz JDBAMWIXDMWKIL-SKDRFNHKSA-N -1 3 329.181 2.981 20 10 EFCDHM COc1c([O-])c(CNc2ccc(C)nc2N(C)C)ccc1[N+](=O)[O-] ZINC000775039468 1290998787 /nfs/dbraw/zinc/99/87/87/1290998787.db2.gz MNQGFLLXYMXCFM-UHFFFAOYSA-N -1 3 332.360 2.691 20 10 EFCDHM COC(=O)CN(Cc1cccnc1C)Cc1cc(Cl)ccc1[O-] ZINC000093277143 1291098240 /nfs/dbraw/zinc/09/82/40/1291098240.db2.gz AIIRTVDGYDKJDZ-UHFFFAOYSA-N -1 3 334.803 2.924 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])NCC(F)(F)F ZINC001187102393 1291106628 /nfs/dbraw/zinc/10/66/28/1291106628.db2.gz DRHFYMASOZZWBK-UHFFFAOYSA-N -1 3 333.697 2.955 20 10 EFCDHM NC(=O)CN(Cc1ccccc1)Cc1cccc(Br)c1[O-] ZINC000093358554 1291130457 /nfs/dbraw/zinc/13/04/57/1291130457.db2.gz GXQQBOLUWQLBMH-UHFFFAOYSA-N -1 3 349.228 2.642 20 10 EFCDHM CC(C)N1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233027800 1312835442 /nfs/dbraw/zinc/83/54/42/1312835442.db2.gz ZTLRLJIMLAIRKZ-UHFFFAOYSA-N -1 3 331.229 2.820 20 10 EFCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)ncc1[O-] ZINC001233035233 1312838501 /nfs/dbraw/zinc/83/85/01/1312838501.db2.gz BNSBHJKACKCTLJ-UHFFFAOYSA-N -1 3 347.846 2.909 20 10 EFCDHM CN(Cc1ccc(Br)cc1[O-])[C@@H]1CC(C)(C)OC1=O ZINC000825992380 1291321817 /nfs/dbraw/zinc/32/18/17/1291321817.db2.gz XKVXVLPITSBZQD-LLVKDONJSA-N -1 3 328.206 2.681 20 10 EFCDHM Cc1cc(O[C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)ncn1 ZINC001233079640 1312851055 /nfs/dbraw/zinc/85/10/55/1312851055.db2.gz IGVRGXRAJCDVFB-ZDUSSCGKSA-N -1 3 335.354 2.812 20 10 EFCDHM COc1cc([O-])c(CN2CCC(=O)C[C@H]2C)cc1Br ZINC001233134976 1312862946 /nfs/dbraw/zinc/86/29/46/1312862946.db2.gz IPSQITBTDBXYSY-SECBINFHSA-N -1 3 328.206 2.717 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001233135420 1312863704 /nfs/dbraw/zinc/86/37/04/1312863704.db2.gz SMHWHNRMYKWHSR-AOOOYVTPSA-N -1 3 330.222 2.773 20 10 EFCDHM CC[C@H]1COCCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001233140394 1312864733 /nfs/dbraw/zinc/86/47/33/1312864733.db2.gz HYXIVMSWQFCSMQ-NSHDSACASA-N -1 3 330.222 2.774 20 10 EFCDHM COc1cc([O-])c(CN(C2CC2)C2COC2)cc1Br ZINC001233140366 1312865045 /nfs/dbraw/zinc/86/50/45/1312865045.db2.gz GPOHSUSDPFIUNO-UHFFFAOYSA-N -1 3 328.206 2.527 20 10 EFCDHM COC(=O)[C@@H](Cc1ccccc1)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000878862788 1291831973 /nfs/dbraw/zinc/83/19/73/1291831973.db2.gz REYISOBSDUPCGF-QGZVFWFLSA-N -1 3 345.370 2.608 20 10 EFCDHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1O ZINC001190401788 1292152442 /nfs/dbraw/zinc/15/24/42/1292152442.db2.gz PVCMAOWYBGVWLB-QMMMGPOBSA-N -1 3 331.315 2.849 20 10 EFCDHM [O-]c1c(CN2CC[C@@H](Oc3ncccn3)C2)cccc1C(F)(F)F ZINC001233419763 1312928538 /nfs/dbraw/zinc/92/85/38/1312928538.db2.gz LRCZPFDCFWJWPP-GFCCVEGCSA-N -1 3 339.317 2.854 20 10 EFCDHM CC(C)(O)CCN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419383 1312929164 /nfs/dbraw/zinc/92/91/64/1312929164.db2.gz WFIPXCWXHFLFTA-UHFFFAOYSA-N -1 3 346.393 2.690 20 10 EFCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001233452411 1312935082 /nfs/dbraw/zinc/93/50/82/1312935082.db2.gz VMGMNSCLTAQASW-STQMWFEESA-N -1 3 325.277 2.655 20 10 EFCDHM CCOC(=O)[C@H]1CSCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455387 1312935800 /nfs/dbraw/zinc/93/58/00/1312935800.db2.gz IRXXIRGJLDMPSC-GFCCVEGCSA-N -1 3 349.374 2.892 20 10 EFCDHM C[C@@]1(CO)CC(F)(F)CN1Cc1cc(Br)ccc1[O-] ZINC001203636598 1312977877 /nfs/dbraw/zinc/97/78/77/1312977877.db2.gz YCNHZVVTFYFHCX-LBPRGKRZSA-N -1 3 336.176 2.747 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001203645745 1312979938 /nfs/dbraw/zinc/97/99/38/1312979938.db2.gz ORDREAOTFDBLNC-UHFFFAOYSA-N -1 3 334.160 2.765 20 10 EFCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2ncn(C)c21 ZINC001203656704 1312982566 /nfs/dbraw/zinc/98/25/66/1312982566.db2.gz VASFLIYKJIWFIF-CYBMUJFWSA-N -1 3 335.835 2.915 20 10 EFCDHM O=C(NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)C1CC1 ZINC000775648042 1293858391 /nfs/dbraw/zinc/85/83/91/1293858391.db2.gz NRYIEVWIEIGDSE-UHFFFAOYSA-N -1 3 326.799 2.675 20 10 EFCDHM [O-]c1c(F)cc(Cl)cc1CN(CCO)CCOCC(F)(F)F ZINC000775692574 1294163059 /nfs/dbraw/zinc/16/30/59/1294163059.db2.gz YPLVIDLRBLPLAQ-UHFFFAOYSA-N -1 3 345.720 2.558 20 10 EFCDHM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3c([O-])cccc3F)C2)C1 ZINC001276354190 1294571957 /nfs/dbraw/zinc/57/19/57/1294571957.db2.gz LQIDAEMHGAQUGZ-HNNXBMFYSA-N -1 3 342.414 2.698 20 10 EFCDHM C[C@H](NCc1cccc(N2CCOCC2)n1)c1c([O-])cccc1F ZINC000886594977 1295040536 /nfs/dbraw/zinc/04/05/36/1295040536.db2.gz XWOYRPNOCZCHOV-ZDUSSCGKSA-N -1 3 331.391 2.614 20 10 EFCDHM C[C@@H](NCc1cccc(N2CCOCC2)n1)c1c([O-])cccc1F ZINC000886594976 1295040824 /nfs/dbraw/zinc/04/08/24/1295040824.db2.gz XWOYRPNOCZCHOV-CYBMUJFWSA-N -1 3 331.391 2.614 20 10 EFCDHM C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1c([O-])cccc1F ZINC000886596575 1295043508 /nfs/dbraw/zinc/04/35/08/1295043508.db2.gz IWXTUPDINURJOO-SECBINFHSA-N -1 3 329.418 2.847 20 10 EFCDHM C[C@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1c([O-])cccc1F ZINC000886643562 1295085887 /nfs/dbraw/zinc/08/58/87/1295085887.db2.gz ZDRWPTDGWXKYSC-NSHDSACASA-N -1 3 346.358 2.592 20 10 EFCDHM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001234477636 1313136556 /nfs/dbraw/zinc/13/65/56/1313136556.db2.gz UXHGUAVUKVERSJ-GXTWGEPZSA-N -1 3 342.395 2.910 20 10 EFCDHM O=C(Nc1cccc(N2CCCCC2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104862692 1295428132 /nfs/dbraw/zinc/42/81/32/1295428132.db2.gz JWRSGGAFXDYMRO-UHFFFAOYSA-N -1 3 349.390 2.813 20 10 EFCDHM CCOC(=O)[C@H]1COCCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234998070 1313219516 /nfs/dbraw/zinc/21/95/16/1313219516.db2.gz HQWSEILJBSWIOD-GOSISDBHSA-N -1 3 341.407 2.823 20 10 EFCDHM C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])CC[C@H]1O ZINC001235056834 1313232560 /nfs/dbraw/zinc/23/25/60/1313232560.db2.gz JDTPACIKZIITSC-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(Br)cc(F)c1[O-] ZINC001235058640 1313233912 /nfs/dbraw/zinc/23/39/12/1313233912.db2.gz PIFRSNQAYCMBEN-VHSXEESVSA-N -1 3 331.229 2.818 20 10 EFCDHM C[C@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])[C@H]1CO ZINC001235295932 1313284275 /nfs/dbraw/zinc/28/42/75/1313284275.db2.gz GNPTVEFSAYUKMM-ZANVPECISA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CCN(C2CCC2)CC1 ZINC001235300498 1313284752 /nfs/dbraw/zinc/28/47/52/1313284752.db2.gz ZOBBVKRHVXWJJZ-UHFFFAOYSA-N -1 3 343.240 2.964 20 10 EFCDHM COC(=O)C[C@@H]1CCCN1Cc1cc(F)cc(Br)c1[O-] ZINC001235304558 1313286324 /nfs/dbraw/zinc/28/63/24/1313286324.db2.gz ZVIKSEIYVWROIC-NSHDSACASA-N -1 3 346.196 2.821 20 10 EFCDHM CN(C1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1)[C@@H]1CCOC1 ZINC001236795192 1313530051 /nfs/dbraw/zinc/53/00/51/1313530051.db2.gz AJWRVZFWNRYQJV-LLVKDONJSA-N -1 3 331.243 2.604 20 10 EFCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001236796474 1313530373 /nfs/dbraw/zinc/53/03/73/1313530373.db2.gz PJZWPYNEGFYSIK-CYBMUJFWSA-N -1 3 345.270 2.996 20 10 EFCDHM COc1cc([O-])c(Cn2c3cc(C)nn3c(=O)cc2C)c(Cl)c1 ZINC001236801146 1313530991 /nfs/dbraw/zinc/53/09/91/1313530991.db2.gz DGPXZHRLKGWPFM-UHFFFAOYSA-N -1 3 333.775 2.529 20 10 EFCDHM CCCNC(=O)[C@@H]1CCCCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236797693 1313531228 /nfs/dbraw/zinc/53/12/28/1313531228.db2.gz ADSZMCYWICTNMV-HNNXBMFYSA-N -1 3 340.851 2.935 20 10 EFCDHM CNC(=O)NC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236802841 1313532550 /nfs/dbraw/zinc/53/25/50/1313532550.db2.gz KDZRSPVDXWYYTA-UHFFFAOYSA-N -1 3 332.231 2.592 20 10 EFCDHM COc1cc([O-])c(CN2CCN3CC(F)(F)C[C@H]3C2)c(Cl)c1 ZINC001236810091 1313533994 /nfs/dbraw/zinc/53/39/94/1313533994.db2.gz ZMIGCZBXAMRWBZ-JTQLQIEISA-N -1 3 332.778 2.579 20 10 EFCDHM CCOC(=O)[C@H]1CN(Cc2c([O-])cc(OC)cc2Cl)CCS1 ZINC001236809171 1313534080 /nfs/dbraw/zinc/53/40/80/1313534080.db2.gz SYJIAEQGWIUILK-CQSZACIVSA-N -1 3 345.848 2.535 20 10 EFCDHM COC(=O)[C@@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236819152 1313536914 /nfs/dbraw/zinc/53/69/14/1313536914.db2.gz UXSIUDOCDXCATE-LLVKDONJSA-N -1 3 327.808 2.829 20 10 EFCDHM COc1cc([O-])c(CN(C)Cc2ccncn2)c(Br)c1 ZINC001237068278 1313580976 /nfs/dbraw/zinc/58/09/76/1313580976.db2.gz OICJZHPDOYPSLY-UHFFFAOYSA-N -1 3 338.205 2.585 20 10 EFCDHM CC[C@@H]1COCCN1Cc1c([O-])cc(OC)cc1Br ZINC001237071238 1313582280 /nfs/dbraw/zinc/58/22/80/1313582280.db2.gz TXDPDCWQNWTXNH-SNVBAGLBSA-N -1 3 330.222 2.774 20 10 EFCDHM CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@H]21 ZINC001237079369 1313583133 /nfs/dbraw/zinc/58/31/33/1313583133.db2.gz CBUSCGBEDOIWNH-RTUWITSCSA-N -1 3 343.254 2.901 20 10 EFCDHM O=C1CCC[C@]2(CCCN(Cc3c([O-])ccc(F)c3Cl)C2)N1 ZINC001237120253 1313589596 /nfs/dbraw/zinc/58/95/96/1313589596.db2.gz AEVRLXXEWLBPAS-MRXNPFEDSA-N -1 3 326.799 2.819 20 10 EFCDHM Cc1cncnc1O[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237129098 1313591772 /nfs/dbraw/zinc/59/17/72/1313591772.db2.gz USRMZQLYPCKGPD-LLVKDONJSA-N -1 3 337.782 2.936 20 10 EFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(N2CCOC2=O)c1 ZINC000776637617 1299982526 /nfs/dbraw/zinc/98/25/26/1299982526.db2.gz BPYUVAFHYODGGM-LLVKDONJSA-N -1 3 342.351 2.545 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(C(C)C)C(=O)C2)cc1Br ZINC001237681191 1313690490 /nfs/dbraw/zinc/69/04/90/1313690490.db2.gz IJUZTQCYOUBLBU-UHFFFAOYSA-N -1 3 341.249 2.516 20 10 EFCDHM COC1CCN(Cc2cccc(I)c2[O-])CC1 ZINC001237778793 1313704725 /nfs/dbraw/zinc/70/47/25/1313704725.db2.gz AXZHRYGSLAWAOH-UHFFFAOYSA-N -1 3 347.196 2.608 20 10 EFCDHM CN1C(=O)CCC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237803412 1313708871 /nfs/dbraw/zinc/70/88/71/1313708871.db2.gz TWHINCUQTWXPRC-UHFFFAOYSA-N -1 3 326.799 2.772 20 10 EFCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1C ZINC000795338491 1300816182 /nfs/dbraw/zinc/81/61/82/1300816182.db2.gz BVDUPUAKSNGEOI-UHFFFAOYSA-N -1 3 349.408 2.987 20 10 EFCDHM CN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001237938540 1313733721 /nfs/dbraw/zinc/73/37/21/1313733721.db2.gz KAEJVTKLGYSXMJ-MRXNPFEDSA-N -1 3 326.799 2.772 20 10 EFCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC001237933376 1313734088 /nfs/dbraw/zinc/73/40/88/1313734088.db2.gz AQCPPRSQKCITRY-GFCCVEGCSA-N -1 3 327.705 2.931 20 10 EFCDHM CCNC(=O)OC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237941534 1313734803 /nfs/dbraw/zinc/73/48/03/1313734803.db2.gz YGPYRGFXDPYDER-UHFFFAOYSA-N -1 3 330.787 2.895 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000862251765 1302323068 /nfs/dbraw/zinc/32/30/68/1302323068.db2.gz MPNQQEJGJFTEFK-LSDHHAIUSA-N -1 3 342.233 2.535 20 10 EFCDHM CC(C)C[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1Br ZINC000862336236 1302335958 /nfs/dbraw/zinc/33/59/58/1302335958.db2.gz DERUEMMSVLQEEY-CYBMUJFWSA-N -1 3 341.249 2.501 20 10 EFCDHM CC[C@@H](C)N(CC(=O)OC)Cc1c([O-])cccc1Br ZINC000862352893 1302342556 /nfs/dbraw/zinc/34/25/56/1302342556.db2.gz OMRKTKWFCLWXRV-SNVBAGLBSA-N -1 3 330.222 2.928 20 10 EFCDHM Cc1noc(NC(=O)[C@@]23C[C@@H]2CCN3Cc2cc(F)ccc2[O-])c1C ZINC001278248695 1313844797 /nfs/dbraw/zinc/84/47/97/1313844797.db2.gz MAJCPBYTVLEAJJ-SCLBCKFNSA-N -1 3 345.374 2.739 20 10 EFCDHM O=S(=O)(CCC(F)(F)F)Nc1ccc([O-])c(Br)c1 ZINC001259871406 1316290133 /nfs/dbraw/zinc/29/01/33/1316290133.db2.gz ISJXUGSLKQRJHB-UHFFFAOYSA-N -1 3 348.140 2.849 20 10 EFCDHM CCN(CC)c1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000800431915 1307834781 /nfs/dbraw/zinc/83/47/81/1307834781.db2.gz HMEHHYVYZXVYLW-UHFFFAOYSA-N -1 3 341.390 2.873 20 10 EFCDHM CN1CCC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001227581362 1311824601 /nfs/dbraw/zinc/82/46/01/1311824601.db2.gz ZQDKXCJODOPWFP-UHFFFAOYSA-N -1 3 337.375 2.641 20 10 EFCDHM CC(C)N1CC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937290 1311875882 /nfs/dbraw/zinc/87/58/82/1311875882.db2.gz HVTBFYYOVWFZCC-UHFFFAOYSA-N -1 3 327.380 2.800 20 10 EFCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001227940576 1311876559 /nfs/dbraw/zinc/87/65/59/1311876559.db2.gz MOFAUKRCEULMML-HNNXBMFYSA-N -1 3 343.335 2.763 20 10 EFCDHM CC1=C[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CC(=O)O1 ZINC001227938753 1311876784 /nfs/dbraw/zinc/87/67/84/1311876784.db2.gz XRTQCZBXIXPCLS-ZDUSSCGKSA-N -1 3 340.331 2.927 20 10 EFCDHM COc1c([O-])c(CNc2ccc(OC(F)F)nc2)ccc1[N+](=O)[O-] ZINC000802661184 1311895664 /nfs/dbraw/zinc/89/56/64/1311895664.db2.gz KASKIBGTXXIRPC-UHFFFAOYSA-N -1 3 341.270 2.918 20 10 EFCDHM O=C1c2cccc(OC3CC4(COC4)C3)c2C(=O)c2cccc([O-])c21 ZINC001229185824 1312058532 /nfs/dbraw/zinc/05/85/32/1312058532.db2.gz COIIOPQEUANHII-UHFFFAOYSA-N -1 3 336.343 2.725 20 10 EFCDHM CCOC[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191563 1312059260 /nfs/dbraw/zinc/05/92/60/1312059260.db2.gz CIEBEKKITMCZRR-LLVKDONJSA-N -1 3 326.348 2.971 20 10 EFCDHM O=C1c2cccc(O[C@@H]3CCOC[C@H]3F)c2C(=O)c2cccc([O-])c21 ZINC001229192712 1312059884 /nfs/dbraw/zinc/05/98/84/1312059884.db2.gz SILAWLQETHJGPN-TZMCWYRMSA-N -1 3 342.322 2.673 20 10 EFCDHM O=C([O-])c1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c([O-])c1 ZINC001231451824 1312500477 /nfs/dbraw/zinc/50/04/77/1312500477.db2.gz WFWPQXBLCJJHFZ-UHFFFAOYSA-N -1 3 345.370 2.713 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c([O-])c1 ZINC001231452806 1312501414 /nfs/dbraw/zinc/50/14/14/1312501414.db2.gz FYRMYIHLQMJBHS-MRXNPFEDSA-N -1 3 325.364 2.795 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c([O-])c1 ZINC001231452806 1312501417 /nfs/dbraw/zinc/50/14/17/1312501417.db2.gz FYRMYIHLQMJBHS-MRXNPFEDSA-N -1 3 325.364 2.795 20 10 EFCDHM Cc1ccccc1N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231559443 1312525263 /nfs/dbraw/zinc/52/52/63/1312525263.db2.gz DXXWBERZJOORDY-UHFFFAOYSA-N -1 3 326.396 2.721 20 10 EFCDHM COC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2cn(C)nc21 ZINC001231866045 1312577232 /nfs/dbraw/zinc/57/72/32/1312577232.db2.gz BVRBCTOTDBUHSQ-CQSZACIVSA-N -1 3 335.835 2.833 20 10 EFCDHM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2ccccc2c1[O-] ZINC001231880544 1312579996 /nfs/dbraw/zinc/57/99/96/1312579996.db2.gz HNQCRIJOAUGKON-BJWYYQGGSA-N -1 3 341.407 2.698 20 10 EFCDHM Cc1noc(C[C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4[O-])C[C@H]3O2)n1 ZINC001231912388 1312587394 /nfs/dbraw/zinc/58/73/94/1312587394.db2.gz ZZTSYIJEICNVSA-KCQAQPDRSA-N -1 3 349.818 2.569 20 10 EFCDHM [O-]c1cc(O)c(CN2CCc3nc(C4CC4)ncc3C2)cc1Cl ZINC001232262235 1312661444 /nfs/dbraw/zinc/66/14/44/1312661444.db2.gz CNEKAMYCFWKECD-UHFFFAOYSA-N -1 3 331.803 2.977 20 10 EFCDHM CCCNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232265473 1312661780 /nfs/dbraw/zinc/66/17/80/1312661780.db2.gz XDYWBNXULYDYAF-AWEZNQCLSA-N -1 3 340.851 2.935 20 10 EFCDHM [O-]c1cc(O)c(CN2CC(N3CCC(F)(F)CC3)C2)cc1Cl ZINC001232268840 1312663041 /nfs/dbraw/zinc/66/30/41/1312663041.db2.gz TYMGUFSMVJRVLY-UHFFFAOYSA-N -1 3 332.778 2.667 20 10 EFCDHM CCCNC(=O)[C@H]1CCCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232269201 1312663095 /nfs/dbraw/zinc/66/30/95/1312663095.db2.gz YADRRJMRXCWXHI-CYBMUJFWSA-N -1 3 326.824 2.632 20 10 EFCDHM COc1cc([O-])c(CN2CCn3c(nnc3C3CC3)C2)cc1Cl ZINC001232270171 1312663968 /nfs/dbraw/zinc/66/39/68/1312663968.db2.gz WPRNEQBUUHCLNB-UHFFFAOYSA-N -1 3 334.807 2.539 20 10 EFCDHM COc1c(F)ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1F ZINC001215327832 1314816111 /nfs/dbraw/zinc/81/61/11/1314816111.db2.gz WEGKNKVEFBGHFL-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM COc1cc(F)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1OC ZINC001215327634 1314816354 /nfs/dbraw/zinc/81/63/54/1314816354.db2.gz LSJGQWIIBZDMHH-UHFFFAOYSA-N -1 3 348.286 2.677 20 10 EFCDHM COc1cc(F)c(F)cc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215327806 1314816363 /nfs/dbraw/zinc/81/63/63/1314816363.db2.gz UVRKLBARNNNHSK-UHFFFAOYSA-N -1 3 336.250 2.807 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(-n4cccn4)cc3)no2)cc1O ZINC001215327775 1314816393 /nfs/dbraw/zinc/81/63/93/1314816393.db2.gz SIHHWCVVDKWMAS-UHFFFAOYSA-N -1 3 336.307 2.706 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3cccnc3OC(F)F)no2)cc1O ZINC001215328838 1314817275 /nfs/dbraw/zinc/81/72/75/1314817275.db2.gz SHHPTFWHNGXILO-UHFFFAOYSA-N -1 3 337.238 2.517 20 10 EFCDHM Cc1noc2ccc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)cc12 ZINC001215328708 1314817390 /nfs/dbraw/zinc/81/73/90/1314817390.db2.gz NVPVFRVXLVKVQK-UHFFFAOYSA-N -1 3 325.280 2.970 20 10 EFCDHM COc1ccc(CN2CCC[C@@H]2C)c([O-])c1I ZINC001248476538 1314937916 /nfs/dbraw/zinc/93/79/16/1314937916.db2.gz JPWURVYWAKEZEV-VIFPVBQESA-N -1 3 347.196 2.990 20 10 EFCDHM COc1ccc(CN2CCCCC2)c([O-])c1I ZINC001248477116 1314938598 /nfs/dbraw/zinc/93/85/98/1314938598.db2.gz YXMLCMKVLZNMEO-UHFFFAOYSA-N -1 3 347.196 2.991 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2CC(N3CCOCC3)C2)cc1Cl ZINC001248883760 1314992204 /nfs/dbraw/zinc/99/22/04/1314992204.db2.gz PQYBOPWKJOYKKA-UHFFFAOYSA-N -1 3 338.879 2.860 20 10 EFCDHM Cc1cc(CN2CC(F)(F)C[C@H]2CO)c([O-])cc1Br ZINC001250121022 1315175174 /nfs/dbraw/zinc/17/51/74/1315175174.db2.gz YZHTYQUWPQRMAA-JTQLQIEISA-N -1 3 336.176 2.665 20 10 EFCDHM CN1CCO[C@]2(CCCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001276804441 1315305575 /nfs/dbraw/zinc/30/55/75/1315305575.db2.gz FIAKMEQNYYHTJL-MRXNPFEDSA-N -1 3 345.270 2.996 20 10 EFCDHM N[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1ccsc1 ZINC001220212367 1315385615 /nfs/dbraw/zinc/38/56/15/1315385615.db2.gz GYHSXEBJKZNKGF-ZDUSSCGKSA-N -1 3 347.827 2.972 20 10 EFCDHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1OC ZINC001257104001 1316034243 /nfs/dbraw/zinc/03/42/43/1316034243.db2.gz QADUHWJYSOPICK-UHFFFAOYSA-N -1 3 337.397 2.827 20 10 EFCDHM CC(C)(C)Cc1nnc(-c2ccc([O-])c(CN3CCOCC3)c2)o1 ZINC001257903463 1316101974 /nfs/dbraw/zinc/10/19/74/1316101974.db2.gz MCJQJZXVNHKESW-UHFFFAOYSA-N -1 3 331.416 2.863 20 10 EFCDHM Cc1c(C)c([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1O ZINC001260452506 1316339755 /nfs/dbraw/zinc/33/97/55/1316339755.db2.gz DJJUWBNZYKSDLQ-UHFFFAOYSA-N -1 3 345.376 2.916 20 10 EFCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)cc1C ZINC001260638026 1316352120 /nfs/dbraw/zinc/35/21/20/1316352120.db2.gz HCNDWGXFSIBBMA-UHFFFAOYSA-N -1 3 335.381 2.713 20 10 EFCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1F ZINC001260662106 1316356327 /nfs/dbraw/zinc/35/63/27/1316356327.db2.gz DTWOHEPAJVYGDQ-UHFFFAOYSA-N -1 3 325.361 2.958 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)c2ccc(F)cc2)c1[O-] ZINC000734851276 1321900041 /nfs/dbraw/zinc/90/00/41/1321900041.db2.gz XQRPIKUVYIQELB-CYBMUJFWSA-N -1 3 340.738 2.916 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(CCC(N)=O)cc2)c1 ZINC001321037782 1329334348 /nfs/dbraw/zinc/33/43/48/1329334348.db2.gz QQMIPFSGQDEAFR-GFCCVEGCSA-N -1 3 342.395 2.770 20 10 EFCDHM CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001317972149 1328464202 /nfs/dbraw/zinc/46/42/02/1328464202.db2.gz HQMGEZVESDJBGQ-UHFFFAOYSA-N -1 3 342.443 2.586 20 10 EFCDHM O=C1CCCCN1CC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC001332692715 1331003456 /nfs/dbraw/zinc/00/34/56/1331003456.db2.gz XRXVXIHNJXLZCT-UHFFFAOYSA-N -1 3 338.398 2.895 20 10 EFCDHM C[C@H]1CN(c2ccc(CNc3cc(=O)[n-]cn3)cc2F)C[C@H](C)O1 ZINC001333642011 1331186258 /nfs/dbraw/zinc/18/62/58/1331186258.db2.gz VUEQTHNGJMPMSF-RYUDHWBXSA-N -1 3 332.379 2.547 20 10 EFCDHM COc1c([O-])c(CNc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC001339286374 1331834547 /nfs/dbraw/zinc/83/45/47/1331834547.db2.gz CWCIOZYHPHPEKG-HSZRJFAPSA-N -1 3 336.369 2.659 20 10 EFCDHM CN(Cc1ccc(C(N)=O)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001347209924 1332724127 /nfs/dbraw/zinc/72/41/27/1332724127.db2.gz AXAZTJOPHYDWAO-UHFFFAOYSA-N -1 3 349.774 2.685 20 10 EFCDHM COc1cc(Br)cc(C[NH2+]C[C@H](C(=O)[O-])C(C)C)c1[O-] ZINC000848640124 1334821167 /nfs/dbraw/zinc/82/11/67/1334821167.db2.gz NTCBSXWPAZWKQO-NSHDSACASA-N -1 3 346.221 2.610 20 10 EFCDHM CC1(C)C(=O)N[C@@H]1C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000848921473 1334987636 /nfs/dbraw/zinc/98/76/36/1334987636.db2.gz SHIIEQVESMMBOZ-OAHLLOKOSA-N -1 3 340.826 2.921 20 10 EFCDHM CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[O-] ZINC000825140897 1425981598 /nfs/dbraw/zinc/98/15/98/1425981598.db2.gz LVWVYTFZBXBVEM-HNNXBMFYSA-N -1 3 327.363 2.952 20 10 EFCDHM CCOc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c([O-])c1 ZINC000736643092 1446174269 /nfs/dbraw/zinc/17/42/69/1446174269.db2.gz CXFJSNFTTQRUPJ-LBPRGKRZSA-N -1 3 339.399 2.822 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826210238 1447182790 /nfs/dbraw/zinc/18/27/90/1447182790.db2.gz JUSDTGKWHAVFIH-JTQLQIEISA-N -1 3 343.362 2.571 20 10 EFCDHM COc1ccc(O)c([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826210238 1447182792 /nfs/dbraw/zinc/18/27/92/1447182792.db2.gz JUSDTGKWHAVFIH-JTQLQIEISA-N -1 3 343.362 2.571 20 10 EFCDHM CC(C)OC(=O)[C@H](C)N(C)Cc1cc(Br)ccc1[O-] ZINC000093772826 716448057 /nfs/dbraw/zinc/44/80/57/716448057.db2.gz FQNSYHPHCYBPAY-JTQLQIEISA-N -1 3 330.222 2.927 20 10 EFCDHM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cn2)n1 ZINC000177671288 718155029 /nfs/dbraw/zinc/15/50/29/718155029.db2.gz JQTNWDYFNPOUJA-UHFFFAOYSA-N -1 3 338.367 2.856 20 10 EFCDHM CCn1cnc2c1CCN(Cc1ccc(Br)cc1[O-])C2 ZINC000897333826 724597025 /nfs/dbraw/zinc/59/70/25/724597025.db2.gz QXNAGWODFGPZSM-UHFFFAOYSA-N -1 3 336.233 2.929 20 10 EFCDHM CC(C)(C)c1ncc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)s1 ZINC000893212668 720065045 /nfs/dbraw/zinc/06/50/45/720065045.db2.gz LAUXSQJNSMKDRD-SREVYHEPSA-N -1 3 344.440 2.929 20 10 EFCDHM O=C1C[C@@H](c2ccccc2)N(Cc2cc(F)cc(F)c2[O-])CCN1 ZINC000893966691 720187878 /nfs/dbraw/zinc/18/78/78/720187878.db2.gz SPANMKDHUMWABP-INIZCTEOSA-N -1 3 332.350 2.734 20 10 EFCDHM CCCC(=O)NC[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893983634 720203760 /nfs/dbraw/zinc/20/37/60/720203760.db2.gz DILQHZRLEBZECB-LBPRGKRZSA-N -1 3 326.387 2.799 20 10 EFCDHM COC(=O)C[C@@H]1CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000894049038 720248502 /nfs/dbraw/zinc/24/85/02/720248502.db2.gz CUOGOKTYDWSEFR-NSHDSACASA-N -1 3 346.196 2.821 20 10 EFCDHM CCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c([O-])c1 ZINC000188511027 720558112 /nfs/dbraw/zinc/55/81/12/720558112.db2.gz YIUFEHRUDZJTCB-UHFFFAOYSA-N -1 3 340.423 2.926 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](OCCCc2ccccc2)C1 ZINC000193129306 720875060 /nfs/dbraw/zinc/87/50/60/720875060.db2.gz TWDJVRAFXXJPOM-INIZCTEOSA-N -1 3 341.407 2.962 20 10 EFCDHM C[S@](=O)C[C@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000894424121 722732687 /nfs/dbraw/zinc/73/26/87/722732687.db2.gz BJWQWIPYKDLZTB-NYHFZMIOSA-N -1 3 325.380 2.880 20 10 EFCDHM CC1(CO)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894469823 722748562 /nfs/dbraw/zinc/74/85/62/722748562.db2.gz QQKDKQCBSUBPPY-UHFFFAOYSA-N -1 3 332.213 2.888 20 10 EFCDHM CCN(CC)c1ccc(CNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000917601781 728764580 /nfs/dbraw/zinc/76/45/80/728764580.db2.gz AFVKDTDWESKZER-XMHGGMMESA-N -1 3 349.434 2.934 20 10 EFCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000894748823 722833807 /nfs/dbraw/zinc/83/38/07/722833807.db2.gz XFTZEAUPBFQHIB-GXSJLCMTSA-N -1 3 325.277 2.663 20 10 EFCDHM CCNC(=O)OC[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894740154 722834372 /nfs/dbraw/zinc/83/43/72/722834372.db2.gz PPXLWDHZRAJUBV-CYBMUJFWSA-N -1 3 328.359 2.771 20 10 EFCDHM C[C@@H]1[C@H](CO)CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000895015212 723050680 /nfs/dbraw/zinc/05/06/80/723050680.db2.gz UHEQZJGWWZKPIY-ZJUUUORDSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H]1C[C@@H](CO)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895033208 723055809 /nfs/dbraw/zinc/05/58/09/723055809.db2.gz HDRFZBGTQHEGQC-NXEZZACHSA-N -1 3 332.213 2.744 20 10 EFCDHM Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000055217144 727915204 /nfs/dbraw/zinc/91/52/04/727915204.db2.gz MTZSLEBSRXQVMZ-LBPRGKRZSA-N -1 3 348.424 2.563 20 10 EFCDHM Cc1ccc(C(=O)Nc2cccc(C[S@](C)=O)c2C)c([O-])c1O ZINC000182462933 728173165 /nfs/dbraw/zinc/17/31/65/728173165.db2.gz HHBCSLPWTZZDEO-QHCPKHFHSA-N -1 3 333.409 2.845 20 10 EFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1O ZINC000182476434 728186770 /nfs/dbraw/zinc/18/67/70/728186770.db2.gz MWHIDRTUXCRREV-UHFFFAOYSA-N -1 3 346.408 2.731 20 10 EFCDHM CC(C)(C)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000324399633 971116024 /nfs/dbraw/zinc/11/60/24/971116024.db2.gz ARTQEWFXIVSETB-ALCCZGGFSA-N -1 3 333.388 2.613 20 10 EFCDHM Cc1[nH]c(CNCc2ccc(N3CCSCC3)cc2)cc1C(=O)[O-] ZINC001599964164 985862706 /nfs/dbraw/zinc/86/27/06/985862706.db2.gz YWAZOXNZPIDQNW-UHFFFAOYSA-N -1 3 345.468 2.864 20 10 EFCDHM CCOCc1cc(CNCc2cc(C(=O)[O-])c(C)n2C)ccc1OC ZINC001596946396 986095178 /nfs/dbraw/zinc/09/51/78/986095178.db2.gz NASGLGUJHISFMQ-UHFFFAOYSA-N -1 3 346.427 2.867 20 10 EFCDHM CCOc1ccc(C[NH2+][C@](C)(CC(=O)[O-])c2ccncc2)c([O-])c1 ZINC001597101345 986716253 /nfs/dbraw/zinc/71/62/53/986716253.db2.gz UGPSORGTUXMDQL-GOSISDBHSA-N -1 3 330.384 2.666 20 10 EFCDHM C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234253 994397925 /nfs/dbraw/zinc/39/79/25/994397925.db2.gz WUJOYAVRHJKKMR-HZMBPMFUSA-N -1 3 331.343 2.884 20 10 EFCDHM C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256459 994521702 /nfs/dbraw/zinc/52/17/02/994521702.db2.gz HZKRYXNPQDXDAD-STQMWFEESA-N -1 3 327.380 2.992 20 10 EFCDHM C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268488 994594001 /nfs/dbraw/zinc/59/40/01/994594001.db2.gz VPVYVGNFMMUKIM-ZDUSSCGKSA-N -1 3 348.443 2.828 20 10 EFCDHM C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274472 994625481 /nfs/dbraw/zinc/62/54/81/994625481.db2.gz LHFDURBTLYYKDL-NSHDSACASA-N -1 3 325.368 2.860 20 10 EFCDHM C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275666 994629776 /nfs/dbraw/zinc/62/97/76/994629776.db2.gz UIVPNZHBDIVSAS-NSHDSACASA-N -1 3 329.352 2.712 20 10 EFCDHM C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593276359 994633315 /nfs/dbraw/zinc/63/33/15/994633315.db2.gz ZXDFOUZFUCSAJX-GFCCVEGCSA-N -1 3 339.395 2.870 20 10 EFCDHM COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc(C(=O)[O-])c1 ZINC001598930560 997743436 /nfs/dbraw/zinc/74/34/36/997743436.db2.gz PVUPHCRYIKHESA-NSHDSACASA-N -1 3 329.352 2.728 20 10 EFCDHM COc1ccc(COCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599576022 998443707 /nfs/dbraw/zinc/44/37/07/998443707.db2.gz SZMUBHSAQKXWRA-ZDUSSCGKSA-N -1 3 345.395 2.966 20 10 EFCDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2Cc3cccc(O)c3C2)n1 ZINC001589220663 1093051369 /nfs/dbraw/zinc/05/13/69/1093051369.db2.gz AJIFNNPFDPPWRS-UHFFFAOYSA-N -1 3 336.399 2.785 20 10 EFCDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2Cc3cccc(O)c3C2)n1 ZINC001589220663 1093051373 /nfs/dbraw/zinc/05/13/73/1093051373.db2.gz AJIFNNPFDPPWRS-UHFFFAOYSA-N -1 3 336.399 2.785 20 10 EFCDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)[NH2+]Cc1cccc(F)c1[O-] ZINC001589307232 1093069698 /nfs/dbraw/zinc/06/96/98/1093069698.db2.gz MNBAQQOFFKDJHY-UHFFFAOYSA-N -1 3 341.390 2.822 20 10 EFCDHM CC(C)CN(C(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589613915 1093115292 /nfs/dbraw/zinc/11/52/92/1093115292.db2.gz LQTCYNKHMRWHQP-YHYXMXQVSA-N -1 3 348.410 2.964 20 10 EFCDHM CC(C)CN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589613915 1093115298 /nfs/dbraw/zinc/11/52/98/1093115298.db2.gz LQTCYNKHMRWHQP-YHYXMXQVSA-N -1 3 348.410 2.964 20 10 EFCDHM CC(C)OC1(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCC1 ZINC001589737154 1093129723 /nfs/dbraw/zinc/12/97/23/1093129723.db2.gz HTQULRONHRAAFA-LBPRGKRZSA-N -1 3 331.420 2.571 20 10 EFCDHM CC(C)OC1(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCC1 ZINC001589737152 1093129913 /nfs/dbraw/zinc/12/99/13/1093129913.db2.gz HTQULRONHRAAFA-GFCCVEGCSA-N -1 3 331.420 2.571 20 10 EFCDHM C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589902585 1093174508 /nfs/dbraw/zinc/17/45/08/1093174508.db2.gz PRFXCQKZCXSNEJ-MNOVXSKESA-N -1 3 329.429 2.916 20 10 EFCDHM C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953077 1093192138 /nfs/dbraw/zinc/19/21/38/1093192138.db2.gz YNRKQULATFITFU-BZNIZROVSA-N -1 3 336.399 2.769 20 10 EFCDHM C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956292 1093193385 /nfs/dbraw/zinc/19/33/85/1093193385.db2.gz PIXJPDLKISRLIK-VQQRXRCHSA-N -1 3 343.431 2.571 20 10 EFCDHM C[C@H]([NH2+]CC(C)(C)CC(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957173 1093195417 /nfs/dbraw/zinc/19/54/17/1093195417.db2.gz AOQQEPFSDDCLCP-VIFPVBQESA-N -1 3 325.363 2.904 20 10 EFCDHM C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959470 1093196329 /nfs/dbraw/zinc/19/63/29/1093196329.db2.gz WXFCHMVDDVAQAX-GFCCVEGCSA-N -1 3 338.415 2.596 20 10 EFCDHM C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961320 1093197009 /nfs/dbraw/zinc/19/70/09/1093197009.db2.gz LOFWBIVJJRBNNL-AMFBXLIHSA-N -1 3 339.802 2.928 20 10 EFCDHM C[C@H]([NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(F)cc1[O-] ZINC001589959637 1093197165 /nfs/dbraw/zinc/19/71/65/1093197165.db2.gz ZWVDDPYXQJBTEB-ZUZCIYMTSA-N -1 3 339.374 2.529 20 10 EFCDHM C[C@H]([NH2+]CCOC1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965043 1093201190 /nfs/dbraw/zinc/20/11/90/1093201190.db2.gz ZOHRVOMCIZNDBB-LBPRGKRZSA-N -1 3 331.420 2.572 20 10 EFCDHM CC[C@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464320 1093433892 /nfs/dbraw/zinc/43/38/92/1093433892.db2.gz AFVLAADRNBHBIW-FZMZJTMJSA-N -1 3 333.461 2.899 20 10 EFCDHM CC[C@@H]([NH2+]CC[C@H]1CCCS1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464319 1093434483 /nfs/dbraw/zinc/43/44/83/1093434483.db2.gz AFVLAADRNBHBIW-BXUZGUMPSA-N -1 3 333.461 2.899 20 10 EFCDHM CC[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464322 1093434604 /nfs/dbraw/zinc/43/46/04/1093434604.db2.gz AFVLAADRNBHBIW-SMDDNHRTSA-N -1 3 333.461 2.899 20 10 EFCDHM CC[C@H]([NH2+]CCc1ccncc1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465386 1093436568 /nfs/dbraw/zinc/43/65/68/1093436568.db2.gz DSAGFMJCVOKXEX-INIZCTEOSA-N -1 3 338.415 2.559 20 10 EFCDHM CC[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466504 1093438455 /nfs/dbraw/zinc/43/84/55/1093438455.db2.gz NJSWWMSBGXDHDD-XFFXIVLMSA-N -1 3 343.431 2.571 20 10 EFCDHM COc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])ccc1C ZINC001591532965 1093752815 /nfs/dbraw/zinc/75/28/15/1093752815.db2.gz GLCIVIUJUAQTTP-LBPRGKRZSA-N -1 3 339.399 2.740 20 10 EFCDHM COc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c(O)c1 ZINC001591601790 1093789140 /nfs/dbraw/zinc/78/91/40/1093789140.db2.gz FNHRAZHOKVENIG-UHFFFAOYSA-N -1 3 346.778 2.550 20 10 EFCDHM COc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c(O)c1 ZINC001591601790 1093789150 /nfs/dbraw/zinc/78/91/50/1093789150.db2.gz FNHRAZHOKVENIG-UHFFFAOYSA-N -1 3 346.778 2.550 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2C)c(OC)c1 ZINC001591606490 1093791560 /nfs/dbraw/zinc/79/15/60/1093791560.db2.gz ILYXHVSVOQJXHR-UHFFFAOYSA-N -1 3 339.399 2.829 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC001591606490 1093791569 /nfs/dbraw/zinc/79/15/69/1093791569.db2.gz ILYXHVSVOQJXHR-UHFFFAOYSA-N -1 3 339.399 2.829 20 10 EFCDHM CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591701899 1093833276 /nfs/dbraw/zinc/83/32/76/1093833276.db2.gz QELSZUAYHBWXON-ZLKJLUDKSA-N -1 3 333.461 2.897 20 10 EFCDHM CSc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])ccn1 ZINC001591706723 1093835335 /nfs/dbraw/zinc/83/53/35/1093835335.db2.gz JPEISJIMVUBCPZ-SNVBAGLBSA-N -1 3 342.428 2.540 20 10 EFCDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1O ZINC001591729547 1093843696 /nfs/dbraw/zinc/84/36/96/1093843696.db2.gz ZLJBHOZRKHSOCD-SECBINFHSA-N -1 3 343.774 2.717 20 10 EFCDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1O ZINC001591729547 1093843701 /nfs/dbraw/zinc/84/37/01/1093843701.db2.gz ZLJBHOZRKHSOCD-SECBINFHSA-N -1 3 343.774 2.717 20 10 EFCDHM Cc1cc(C(=O)N2CC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC001591914373 1093916204 /nfs/dbraw/zinc/91/62/04/1093916204.db2.gz ZEBSWVYUHAUVNZ-NSHDSACASA-N -1 3 336.399 2.509 20 10 EFCDHM Cc1cc(C(=O)NC2(C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC001591920188 1093917928 /nfs/dbraw/zinc/91/79/28/1093917928.db2.gz DJXGNDIZELSGSV-UHFFFAOYSA-N -1 3 336.399 2.557 20 10 EFCDHM Cc1cc(C)cc(NNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC001591953966 1093931408 /nfs/dbraw/zinc/93/14/08/1093931408.db2.gz GJNIKOAXQSKGHR-UHFFFAOYSA-N -1 3 339.428 2.797 20 10 EFCDHM Cc1cc(C)cc(NNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC001591953966 1093931410 /nfs/dbraw/zinc/93/14/10/1093931410.db2.gz GJNIKOAXQSKGHR-UHFFFAOYSA-N -1 3 339.428 2.797 20 10 EFCDHM Cc1csc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592313760 1094073628 /nfs/dbraw/zinc/07/36/28/1094073628.db2.gz VWQSNXVLAMIDCS-ZJUUUORDSA-N -1 3 330.417 2.749 20 10 EFCDHM Cc1csc([C@@H](C)C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592314502 1094074252 /nfs/dbraw/zinc/07/42/52/1094074252.db2.gz MGEDCFQMGOKXSO-GXSJLCMTSA-N -1 3 344.444 2.792 20 10 EFCDHM S=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1 ZINC001593542026 1094352031 /nfs/dbraw/zinc/35/20/31/1094352031.db2.gz FLPHRAFLLDCRFS-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM S=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)cc1 ZINC001593542026 1094352038 /nfs/dbraw/zinc/35/20/38/1094352038.db2.gz FLPHRAFLLDCRFS-UHFFFAOYSA-N -1 3 345.819 2.834 20 10 EFCDHM C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cncc(F)c1 ZINC001603677669 1096588705 /nfs/dbraw/zinc/58/87/05/1096588705.db2.gz YQTYFEABBHNPSF-UWVGGRQHSA-N -1 3 328.351 2.518 20 10 EFCDHM CC[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054168 1096712240 /nfs/dbraw/zinc/71/22/40/1096712240.db2.gz GRAWSNBOYAKDPU-HNNXBMFYSA-N -1 3 345.447 2.556 20 10 EFCDHM CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055181 1096712695 /nfs/dbraw/zinc/71/26/95/1096712695.db2.gz NTHAYNSERPRTOR-SWHYSGLUSA-N -1 3 339.403 2.516 20 10 EFCDHM CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055179 1096712930 /nfs/dbraw/zinc/71/29/30/1096712930.db2.gz NTHAYNSERPRTOR-DDTOSNHZSA-N -1 3 339.403 2.516 20 10 EFCDHM CC[C@@H]([NH2+]C[C@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604052963 1096712943 /nfs/dbraw/zinc/71/29/43/1096712943.db2.gz AEENGEBIKUJEMG-BXUZGUMPSA-N -1 3 333.461 2.756 20 10 EFCDHM CC[C@H]([NH2+]C[C@]1(C)CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054720 1096713033 /nfs/dbraw/zinc/71/30/33/1096713033.db2.gz JEEZTPPQRZRZNT-YOEHRIQHSA-N -1 3 331.420 2.572 20 10 EFCDHM CC[C@@H]([NH2+]CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[O-] ZINC001604060736 1096715139 /nfs/dbraw/zinc/71/51/39/1096715139.db2.gz IVPKETHFRVEMOW-MRXNPFEDSA-N -1 3 341.390 2.995 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001604323609 1096810660 /nfs/dbraw/zinc/81/06/60/1096810660.db2.gz NUUQKESMKCHQTL-UHFFFAOYSA-N -1 3 337.431 2.663 20 10 EFCDHM CCN(Cc1ccc(N(C)C)cc1)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001604323609 1096810671 /nfs/dbraw/zinc/81/06/71/1096810671.db2.gz NUUQKESMKCHQTL-UHFFFAOYSA-N -1 3 337.431 2.663 20 10 EFCDHM C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326877 1096812706 /nfs/dbraw/zinc/81/27/06/1096812706.db2.gz UKXILRGAKFQANR-XJKSGUPXSA-N -1 3 329.396 2.735 20 10 EFCDHM C[C@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC001604329480 1096813479 /nfs/dbraw/zinc/81/34/79/1096813479.db2.gz LTISVUKQNWJUBD-ZDUSSCGKSA-N -1 3 341.411 2.740 20 10 EFCDHM C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340241 1096819756 /nfs/dbraw/zinc/81/97/56/1096819756.db2.gz AIPUSVLMIYGSFD-GFCCVEGCSA-N -1 3 325.368 2.791 20 10 EFCDHM C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604341710 1096819771 /nfs/dbraw/zinc/81/97/71/1096819771.db2.gz RTKVBJKNKQMVTH-GFCCVEGCSA-N -1 3 325.368 2.631 20 10 EFCDHM CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C12CCC2 ZINC001604412414 1096844753 /nfs/dbraw/zinc/84/47/53/1096844753.db2.gz JYHHYTNJVWYGBL-BYCMXARLSA-N -1 3 343.431 2.571 20 10 EFCDHM CCc1ccccc1NC(=S)NNc1cccc(-c2nnn[n-]2)c1 ZINC001604534837 1096898332 /nfs/dbraw/zinc/89/83/32/1096898332.db2.gz NMTPLXXVIKLPNL-UHFFFAOYSA-N -1 3 339.428 2.743 20 10 EFCDHM CCc1ccccc1NC(=S)NNc1cccc(-c2nn[n-]n2)c1 ZINC001604534837 1096898340 /nfs/dbraw/zinc/89/83/40/1096898340.db2.gz NMTPLXXVIKLPNL-UHFFFAOYSA-N -1 3 339.428 2.743 20 10 EFCDHM CN(Cc1ccccc1O)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001604818636 1096965801 /nfs/dbraw/zinc/96/58/01/1096965801.db2.gz KPWBSNJNPXHUHQ-UHFFFAOYSA-N -1 3 332.367 2.757 20 10 EFCDHM CN(Cc1ccccc1O)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001604818636 1096965806 /nfs/dbraw/zinc/96/58/06/1096965806.db2.gz KPWBSNJNPXHUHQ-UHFFFAOYSA-N -1 3 332.367 2.757 20 10 EFCDHM COC(=O)c1cnc(SCc2ccc(-c3nnn[n-]3)cc2C)s1 ZINC001604989450 1096995005 /nfs/dbraw/zinc/99/50/05/1096995005.db2.gz BAHNCWWYOUSQLR-UHFFFAOYSA-N -1 3 347.425 2.711 20 10 EFCDHM COC(=O)c1cnc(SCc2ccc(-c3nn[n-]n3)cc2C)s1 ZINC001604989450 1096995010 /nfs/dbraw/zinc/99/50/10/1096995010.db2.gz BAHNCWWYOUSQLR-UHFFFAOYSA-N -1 3 347.425 2.711 20 10 EFCDHM COc1ccc(N(Cc2cc(-c3nnn[n-]3)ccn2)CC(C)C)cc1 ZINC001605291485 1097083776 /nfs/dbraw/zinc/08/37/76/1097083776.db2.gz UVTCERBFTGMVSX-UHFFFAOYSA-N -1 3 338.415 2.933 20 10 EFCDHM COc1ccc(N(Cc2cc(-c3nn[n-]n3)ccn2)CC(C)C)cc1 ZINC001605291485 1097083783 /nfs/dbraw/zinc/08/37/83/1097083783.db2.gz UVTCERBFTGMVSX-UHFFFAOYSA-N -1 3 338.415 2.933 20 10 EFCDHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1ccccc1O ZINC001605439494 1097124862 /nfs/dbraw/zinc/12/48/62/1097124862.db2.gz MSXYCNVOBGQLBH-KNXALSJPSA-N -1 3 349.394 2.553 20 10 EFCDHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1ccccc1O ZINC001605439494 1097124864 /nfs/dbraw/zinc/12/48/64/1097124864.db2.gz MSXYCNVOBGQLBH-KNXALSJPSA-N -1 3 349.394 2.553 20 10 EFCDHM CCOc1ccc(C[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c([O-])c1 ZINC001605690110 1097196408 /nfs/dbraw/zinc/19/64/08/1097196408.db2.gz BGHUUXQOQVUEHB-AWEZNQCLSA-N -1 3 333.306 2.630 20 10 EFCDHM CCOc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c([O-])c1 ZINC001605690110 1097196413 /nfs/dbraw/zinc/19/64/13/1097196413.db2.gz BGHUUXQOQVUEHB-AWEZNQCLSA-N -1 3 333.306 2.630 20 10 EFCDHM Cc1ccc(F)c(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605862516 1097257679 /nfs/dbraw/zinc/25/76/79/1097257679.db2.gz OXXVOCBKAWYPBY-UHFFFAOYSA-N -1 3 343.391 2.628 20 10 EFCDHM Cc1ccc(O)c(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC001605875377 1097261588 /nfs/dbraw/zinc/26/15/88/1097261588.db2.gz FINPIKNBJKEQDV-UHFFFAOYSA-N -1 3 338.371 2.511 20 10 EFCDHM Cc1ccc(O)c(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC001605875377 1097261591 /nfs/dbraw/zinc/26/15/91/1097261591.db2.gz FINPIKNBJKEQDV-UHFFFAOYSA-N -1 3 338.371 2.511 20 10 EFCDHM Cc1ccncc1C=CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001605960349 1097287367 /nfs/dbraw/zinc/28/73/67/1097287367.db2.gz QZEQJSFDXHSJMR-FPLPWBNLSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ccncc1C=CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001605960349 1097287372 /nfs/dbraw/zinc/28/73/72/1097287372.db2.gz QZEQJSFDXHSJMR-FPLPWBNLSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ncccc1C=CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001606094989 1097317388 /nfs/dbraw/zinc/31/73/88/1097317388.db2.gz YZTOXNJSPWTUST-MDZDMXLPSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1ncccc1C=CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001606094989 1097317394 /nfs/dbraw/zinc/31/73/94/1097317394.db2.gz YZTOXNJSPWTUST-MDZDMXLPSA-N -1 3 346.394 2.563 20 10 EFCDHM Cc1nsc(NCc2ccc(N3CC=CC3)cc2)c1-c1nnn[n-]1 ZINC001606162488 1097332926 /nfs/dbraw/zinc/33/29/26/1097332926.db2.gz WIAXBQULOPALPB-UHFFFAOYSA-N -1 3 339.428 2.620 20 10 EFCDHM CO[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])Cc1ccccc1 ZINC001606679311 1097441571 /nfs/dbraw/zinc/44/15/71/1097441571.db2.gz DEIQGOHBZXFKDD-BBRMVZONSA-N -1 3 329.396 2.999 20 10 EFCDHM COc1ccc(O)c(CNCc2ccccc2O[C@H](C)C(=O)[O-])c1 ZINC001607277572 1097583014 /nfs/dbraw/zinc/58/30/14/1097583014.db2.gz HXESOHRHLWSBPL-GFCCVEGCSA-N -1 3 331.368 2.543 20 10 EFCDHM Cc1[nH]c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001607494127 1097641957 /nfs/dbraw/zinc/64/19/57/1097641957.db2.gz LHKSKCNUYNSOLX-INIZCTEOSA-N -1 3 344.411 2.908 20 10 EFCDHM O=C([O-])c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC001608880312 1098055792 /nfs/dbraw/zinc/05/57/92/1098055792.db2.gz DDIMKCGVGWQOEM-OAHLLOKOSA-N -1 3 330.384 2.600 20 10 EFCDHM CN(C)c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001609270634 1098233922 /nfs/dbraw/zinc/23/39/22/1098233922.db2.gz MIUJYHOQRNXJSC-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM CN(C)c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001609270634 1098233924 /nfs/dbraw/zinc/23/39/24/1098233924.db2.gz MIUJYHOQRNXJSC-UHFFFAOYSA-N -1 3 339.399 2.781 20 10 EFCDHM COc1ccc(O)c(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC001609358407 1098266647 /nfs/dbraw/zinc/26/66/47/1098266647.db2.gz XDHUVDJOFUSRIQ-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM COc1ccc(O)c(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC001609358407 1098266653 /nfs/dbraw/zinc/26/66/53/1098266653.db2.gz XDHUVDJOFUSRIQ-UHFFFAOYSA-N -1 3 331.763 2.846 20 10 EFCDHM C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774887 1098453234 /nfs/dbraw/zinc/45/32/34/1098453234.db2.gz WUBTVXYPUHGYEG-YOEHRIQHSA-N -1 3 342.439 2.914 20 10 EFCDHM C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774054 1098453420 /nfs/dbraw/zinc/45/34/20/1098453420.db2.gz RNHMDIOBDMPOSY-SMDDNHRTSA-N -1 3 333.359 2.656 20 10 EFCDHM C[C@H]([NH2+]CCCOCC1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781718 1098456405 /nfs/dbraw/zinc/45/64/05/1098456405.db2.gz XODHISVYDNEJGL-ZDUSSCGKSA-N -1 3 337.416 2.574 20 10 EFCDHM COc1cccc([O-])c1C[NH2+][C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001610357265 1098636834 /nfs/dbraw/zinc/63/68/34/1098636834.db2.gz UYTHFKAPLBRUPE-ZFWWWQNUSA-N -1 3 329.396 2.822 20 10 EFCDHM Cc1cc(Br)cc(C[NH2+][C@@H](CC(F)F)C(=O)[O-])c1[O-] ZINC001610432478 1098673843 /nfs/dbraw/zinc/67/38/43/1098673843.db2.gz MLOQPZKANNYCSA-VIFPVBQESA-N -1 3 338.148 2.661 20 10 EFCDHM COCCNC(=O)C1(N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000840822674 1101752256 /nfs/dbraw/zinc/75/22/56/1101752256.db2.gz NWLJJMNGCAGJOV-SECBINFHSA-N -1 3 347.242 2.645 20 10 EFCDHM CC1(C)CCN(Cc2cc(Br)ccc2[O-])CC[S@@]1=O ZINC000322149130 1105595987 /nfs/dbraw/zinc/59/59/87/1105595987.db2.gz SPJQCHMNSVAHBF-IBGZPJMESA-N -1 3 346.290 2.888 20 10 EFCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001142509179 1106041882 /nfs/dbraw/zinc/04/18/82/1106041882.db2.gz ZQYYFUROJUHURL-CHWSQXEVSA-N -1 3 343.267 2.898 20 10 EFCDHM C[C@@H]1CC(=O)CCN1Cc1ccc(I)cc1[O-] ZINC001232974089 1107489758 /nfs/dbraw/zinc/48/97/58/1107489758.db2.gz HXZXTLQVSHYBKX-SECBINFHSA-N -1 3 345.180 2.550 20 10 EFCDHM [O-]c1cc(Br)ccc1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000698972943 1108429596 /nfs/dbraw/zinc/42/95/96/1108429596.db2.gz WEBOCMVXLTUQJN-LLVKDONJSA-N -1 3 340.139 2.918 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1(F)CCOCC1 ZINC001142610895 1109190743 /nfs/dbraw/zinc/19/07/43/1109190743.db2.gz WAQSFAHIDIAFLN-UHFFFAOYSA-N -1 3 338.766 2.729 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CC2CCN1CC2 ZINC001142634936 1109361896 /nfs/dbraw/zinc/36/18/96/1109361896.db2.gz CWOSTIHESSLCNE-OAHLLOKOSA-N -1 3 345.830 2.694 20 10 EFCDHM [O-]c1c(CNc2cc3c(nn2)CNC3)cc(Cl)c2cccnc12 ZINC001168522962 1112014794 /nfs/dbraw/zinc/01/47/94/1112014794.db2.gz XHYLCRCHUXAFOJ-UHFFFAOYSA-N -1 3 327.775 2.599 20 10 EFCDHM O=C(NCCC1=CCN(c2cccc(F)n2)CC1)c1ccccc1[O-] ZINC001089812384 1113111075 /nfs/dbraw/zinc/11/10/75/1113111075.db2.gz TUEOKJDKKWUMNF-UHFFFAOYSA-N -1 3 341.386 2.883 20 10 EFCDHM [O-]c1c(CN2CCNC2)cc(Br)cc1C(F)(F)F ZINC001236850957 1118224685 /nfs/dbraw/zinc/22/46/85/1118224685.db2.gz PVUOKGQEGPVXTO-UHFFFAOYSA-N -1 3 325.128 2.536 20 10 EFCDHM [O-]c1c(CNc2cc3c(nn2)OCCO3)cc(Cl)c2cccnc12 ZINC001168527180 1119783499 /nfs/dbraw/zinc/78/34/99/1119783499.db2.gz FKGNCCNDQVNFLD-UHFFFAOYSA-N -1 3 344.758 2.767 20 10 EFCDHM CNC(=O)c1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000177237573 529937215 /nfs/dbraw/zinc/93/72/15/529937215.db2.gz XQNYPNRCOBBAPZ-UHFFFAOYSA-N -1 3 344.386 2.726 20 10 EFCDHM Cc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c([O-])c1O ZINC000177669130 239387173 /nfs/dbraw/zinc/38/71/73/239387173.db2.gz WHWLKMPTWSJAAL-UHFFFAOYSA-N -1 3 342.395 2.734 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c([O-])c1O ZINC000185939746 239627536 /nfs/dbraw/zinc/62/75/36/239627536.db2.gz WUAYCCZFZHYMCS-UHFFFAOYSA-N -1 3 327.380 2.530 20 10 EFCDHM CCCn1ccnc1CCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000192245817 240034390 /nfs/dbraw/zinc/03/43/90/240034390.db2.gz OLXWYPWDLDWBPP-UHFFFAOYSA-N -1 3 331.416 2.718 20 10 EFCDHM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(O)c1[O-] ZINC000193147144 240089041 /nfs/dbraw/zinc/08/90/41/240089041.db2.gz OSNAXMKWDNTKLZ-XJKSGUPXSA-N -1 3 327.380 2.996 20 10 EFCDHM CCCOc1ccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c([O-])c1 ZINC000248970373 240298176 /nfs/dbraw/zinc/29/81/76/240298176.db2.gz PDCDNXKQXMHAGP-HOTGVXAUSA-N -1 3 347.415 2.834 20 10 EFCDHM COC(=O)[C@@H](NCc1cc2c(cc1[O-])OCO2)c1ccc(F)c(C)c1 ZINC000275108726 240743366 /nfs/dbraw/zinc/74/33/66/240743366.db2.gz FRAVMBITURTQSY-KRWDZBQOSA-N -1 3 347.342 2.572 20 10 EFCDHM C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cccc(O)c1[O-] ZINC000288156276 241002568 /nfs/dbraw/zinc/00/25/68/241002568.db2.gz LRTHBRYGQVZCPU-NSHDSACASA-N -1 3 342.399 2.564 20 10 EFCDHM C[C@@]1(NCc2ccc(OCc3ccccc3)cc2[O-])CCOC1=O ZINC000290761804 241018055 /nfs/dbraw/zinc/01/80/55/241018055.db2.gz BNZYNOGTXMWPBK-LJQANCHMSA-N -1 3 327.380 2.766 20 10 EFCDHM [O-]c1ccc(F)cc1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000361054854 242215335 /nfs/dbraw/zinc/21/53/35/242215335.db2.gz VLRYARRJVGUKMX-UHFFFAOYSA-N -1 3 338.386 2.729 20 10 EFCDHM Cc1ccc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c([O-])c1O ZINC000182897233 292059943 /nfs/dbraw/zinc/05/99/43/292059943.db2.gz YJLDXVYFRRZPHS-HXUWFJFHSA-N -1 3 339.391 2.720 20 10 EFCDHM Cc1ccc(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)c([O-])c1O ZINC000179548240 292072907 /nfs/dbraw/zinc/07/29/07/292072907.db2.gz BBMMFTKNJNKPNT-MRXNPFEDSA-N -1 3 343.423 2.938 20 10 EFCDHM [O-]c1cccc(Cl)c1CNC[C@H](O)COc1ccc(F)cc1 ZINC000113327600 544569407 /nfs/dbraw/zinc/56/94/07/544569407.db2.gz AQTVNKKKGSLLKB-LBPRGKRZSA-N -1 3 325.767 2.714 20 10 EFCDHM CC(=O)Nc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000279135180 278197747 /nfs/dbraw/zinc/19/77/47/278197747.db2.gz RKZCJJSMYRYPMO-JTQLQIEISA-N -1 3 330.344 2.505 20 10 EFCDHM C[C@H](CN1CCOCC1)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000279397951 279316793 /nfs/dbraw/zinc/31/67/93/279316793.db2.gz KRVDTNAPEMOLKI-LLVKDONJSA-N -1 3 333.259 2.852 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)C(=O)NC1CC1 ZINC000076118515 472276633 /nfs/dbraw/zinc/27/66/33/472276633.db2.gz FWDATNIOJPCSRM-SNVBAGLBSA-N -1 3 341.249 2.644 20 10 EFCDHM O=C(NCc1ccco1)[C@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000128214463 472419103 /nfs/dbraw/zinc/41/91/03/472419103.db2.gz HNPYOXKEXUUOEY-OAHLLOKOSA-N -1 3 334.803 2.919 20 10 EFCDHM O=C(c1ccccc1O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000119373325 472550339 /nfs/dbraw/zinc/55/03/39/472550339.db2.gz VDEILCLMXUXVOJ-UHFFFAOYSA-N -1 3 346.814 2.709 20 10 EFCDHM CCO[C@@H]1C[C@@H](O)C12CCN(Cc1c([O-])cccc1Cl)CC2 ZINC000130247860 472592370 /nfs/dbraw/zinc/59/23/70/472592370.db2.gz SMNYQLQICGFVFX-HZPDHXFCSA-N -1 3 325.836 2.798 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC(N3CCCCC3=O)CC2)c1[O-] ZINC000120413729 472683991 /nfs/dbraw/zinc/68/39/91/472683991.db2.gz YRQHZMRELIOSIB-UHFFFAOYSA-N -1 3 348.418 2.711 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCN1C ZINC000120995930 472780330 /nfs/dbraw/zinc/78/03/30/472780330.db2.gz XJPIFRMDXOIEDK-ZDUSSCGKSA-N -1 3 341.249 2.597 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCOC2(CCOCC2)C1 ZINC000091894543 472823262 /nfs/dbraw/zinc/82/32/62/472823262.db2.gz RIABHJCIXXMEJR-UHFFFAOYSA-N -1 3 342.233 2.536 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000079474246 472871194 /nfs/dbraw/zinc/87/11/94/472871194.db2.gz FIOJMVUIWXKRDF-ZDUSSCGKSA-N -1 3 331.391 2.532 20 10 EFCDHM CS[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158084197 472891021 /nfs/dbraw/zinc/89/10/21/472891021.db2.gz GPYIDBBEVIEBAJ-BXUZGUMPSA-N -1 3 342.892 2.878 20 10 EFCDHM CS[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158084342 472891191 /nfs/dbraw/zinc/89/11/91/472891191.db2.gz GPYIDBBEVIEBAJ-FZMZJTMJSA-N -1 3 342.892 2.878 20 10 EFCDHM COC(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000109770981 473120367 /nfs/dbraw/zinc/12/03/67/473120367.db2.gz SOKMATHFCKLAME-UHFFFAOYSA-N -1 3 342.395 2.558 20 10 EFCDHM COc1ccc(OC)c(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000109770256 473120579 /nfs/dbraw/zinc/12/05/79/473120579.db2.gz SWELMVLFCZHCTF-ZDUSSCGKSA-N -1 3 344.411 2.868 20 10 EFCDHM CCCc1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)no1 ZINC000109761703 473120955 /nfs/dbraw/zinc/12/09/55/473120955.db2.gz XQEBDURKPVIKTB-OAHLLOKOSA-N -1 3 331.416 2.909 20 10 EFCDHM CCC(CC)CN(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000135946525 473123063 /nfs/dbraw/zinc/12/30/63/473123063.db2.gz SGHGKWKFLCTPGR-UHFFFAOYSA-N -1 3 342.461 2.662 20 10 EFCDHM COC(=O)[C@]1(C)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093813398 473147100 /nfs/dbraw/zinc/14/71/00/473147100.db2.gz TUQXJSWUEPATBD-CQSZACIVSA-N -1 3 328.206 2.540 20 10 EFCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCCC1 ZINC000093920408 473162630 /nfs/dbraw/zinc/16/26/30/473162630.db2.gz YWIRYCCDDYUXFM-UHFFFAOYSA-N -1 3 340.445 2.559 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc(C)n[nH]1 ZINC000075417076 473184993 /nfs/dbraw/zinc/18/49/93/473184993.db2.gz YBOPNPNROPTXOE-UHFFFAOYSA-N -1 3 338.205 2.849 20 10 EFCDHM C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)Cc1ccccc1[O-] ZINC000111235641 473198608 /nfs/dbraw/zinc/19/86/08/473198608.db2.gz VJPQWCXKQHAQJE-PBHICJAKSA-N -1 3 340.423 2.853 20 10 EFCDHM COc1ccccc1N1CC[C@@H](N(C)Cc2ccccc2[O-])C1=O ZINC000151257161 473432053 /nfs/dbraw/zinc/43/20/53/473432053.db2.gz NRQJWFQCCVXRFH-MRXNPFEDSA-N -1 3 326.396 2.638 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000185748564 473504318 /nfs/dbraw/zinc/50/43/18/473504318.db2.gz PIPDZSAGHNIDCN-HNNXBMFYSA-N -1 3 327.380 2.777 20 10 EFCDHM C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186021419 473573275 /nfs/dbraw/zinc/57/32/75/473573275.db2.gz CCAKYJLDQUQCTK-KWQFWETISA-N -1 3 336.741 2.859 20 10 EFCDHM C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186081967 473586999 /nfs/dbraw/zinc/58/69/99/473586999.db2.gz WCACEHRCBFYRKM-BXUZGUMPSA-N -1 3 348.834 2.625 20 10 EFCDHM COc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1-n1nnnc1C ZINC000186437506 473673956 /nfs/dbraw/zinc/67/39/56/473673956.db2.gz HNBSGYQPVNRAAR-SNVBAGLBSA-N -1 3 343.362 2.997 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccccc2N2CCC(O)CC2)c([O-])c1O ZINC000179442112 473687815 /nfs/dbraw/zinc/68/78/15/473687815.db2.gz GHSKPPSMIIVMOC-UHFFFAOYSA-N -1 3 342.395 2.620 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@](C)(O)C1CC1 ZINC000287586126 473703042 /nfs/dbraw/zinc/70/30/42/473703042.db2.gz XRKGLQULPWQWKT-HNNXBMFYSA-N -1 3 342.233 2.664 20 10 EFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000245718940 473741091 /nfs/dbraw/zinc/74/10/91/473741091.db2.gz HOJBIRAAGCJUIJ-HZMBPMFUSA-N -1 3 326.780 2.955 20 10 EFCDHM CCc1nc(CN2CCN(Cc3cc(F)ccc3[O-])CC2)cs1 ZINC000179987884 473770697 /nfs/dbraw/zinc/77/06/97/473770697.db2.gz ZZLOFPXRLMXTNT-UHFFFAOYSA-N -1 3 335.448 2.868 20 10 EFCDHM O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000186875306 473773754 /nfs/dbraw/zinc/77/37/54/473773754.db2.gz WDYWXDHJHKCOSO-UHFFFAOYSA-N -1 3 340.379 2.589 20 10 EFCDHM CC[C@H](NCC(=O)N1CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287904305 473794858 /nfs/dbraw/zinc/79/48/58/473794858.db2.gz ZUYFYOCFOSZPPD-ZDUSSCGKSA-N -1 3 347.242 2.599 20 10 EFCDHM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])CCO2 ZINC000274419992 473815750 /nfs/dbraw/zinc/81/57/50/473815750.db2.gz XWDZVAWGEGBTIN-AWEZNQCLSA-N -1 3 329.352 2.668 20 10 EFCDHM COc1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])c(C)c1OC ZINC000288079985 473842043 /nfs/dbraw/zinc/84/20/43/473842043.db2.gz PKJIWZJESFRWRX-NSHDSACASA-N -1 3 331.368 2.914 20 10 EFCDHM COC(=O)c1cccc([C@@H](C(=O)OC)N(C)Cc2ccccc2[O-])c1 ZINC000269991998 473947003 /nfs/dbraw/zinc/94/70/03/473947003.db2.gz JIKWXFNXRPWHEB-KRWDZBQOSA-N -1 3 343.379 2.525 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000274947050 474024387 /nfs/dbraw/zinc/02/43/87/474024387.db2.gz HGJHHYXTKASVLF-CQSZACIVSA-N -1 3 341.363 2.846 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000275016345 474043162 /nfs/dbraw/zinc/04/31/62/474043162.db2.gz YLVPKSRSTNXAEX-CQSZACIVSA-N -1 3 343.379 2.625 20 10 EFCDHM Cc1ccc(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c([O-])c1O ZINC000181918663 474069367 /nfs/dbraw/zinc/06/93/67/474069367.db2.gz CFRRXDMZFREOCM-AWEZNQCLSA-N -1 3 331.343 2.839 20 10 EFCDHM [O-]c1ccccc1CN(Cc1noc(C2CC2)n1)C[C@H]1CCCO1 ZINC000264678342 474085654 /nfs/dbraw/zinc/08/56/54/474085654.db2.gz BMAFNXWWNQXAEH-OAHLLOKOSA-N -1 3 329.400 2.834 20 10 EFCDHM Cc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c([O-])c1O ZINC000182276399 474139934 /nfs/dbraw/zinc/13/99/34/474139934.db2.gz NBLQAQQHFOVJED-OAHLLOKOSA-N -1 3 342.395 2.623 20 10 EFCDHM CCNC(=O)COc1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000264956929 474161261 /nfs/dbraw/zinc/16/12/61/474161261.db2.gz MWFZEYFTBZAUNT-UHFFFAOYSA-N -1 3 348.830 2.850 20 10 EFCDHM Cc1ccc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)c([O-])c1O ZINC000182401896 474166437 /nfs/dbraw/zinc/16/64/37/474166437.db2.gz WZVXJXWGNTVGFM-CYBMUJFWSA-N -1 3 344.415 2.598 20 10 EFCDHM COc1ccc([C@@H](CCO)NCc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000182414104 474171717 /nfs/dbraw/zinc/17/17/17/474171717.db2.gz QLPJCQIATMCAOZ-GOSISDBHSA-N -1 3 347.386 2.956 20 10 EFCDHM CCCOc1ccc(CN2C[C@@H](CC)[S@](=O)[C@@H](C)C2)c([O-])c1 ZINC000289209959 474184474 /nfs/dbraw/zinc/18/44/74/474184474.db2.gz BXUKXTXYTHNMBQ-JWCWZOIMSA-N -1 3 325.474 2.912 20 10 EFCDHM Cc1ccc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)c([O-])c1O ZINC000182890524 474279303 /nfs/dbraw/zinc/27/93/03/474279303.db2.gz RSONYXZYFANGFU-KRWDZBQOSA-N -1 3 327.380 2.650 20 10 EFCDHM CC(=O)N1CCN(Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000182938170 474292123 /nfs/dbraw/zinc/29/21/23/474292123.db2.gz ZZJLNWVSZGAGLC-UHFFFAOYSA-N -1 3 340.423 2.635 20 10 EFCDHM CC(C)(C)n1ncnc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000283172136 474326922 /nfs/dbraw/zinc/32/69/22/474326922.db2.gz POGHIYABVHLCCP-MRXNPFEDSA-N -1 3 344.459 2.920 20 10 EFCDHM C[C@@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1ncn(C)n1 ZINC000275808228 474327255 /nfs/dbraw/zinc/32/72/55/474327255.db2.gz ZFXFGWCHKDHOEE-DTWKUNHWSA-N -1 3 325.210 2.695 20 10 EFCDHM COc1c([O-])c(CN[C@@H](C)c2c(F)cncc2F)ccc1[N+](=O)[O-] ZINC000289643623 474358464 /nfs/dbraw/zinc/35/84/64/474358464.db2.gz MLCHKGCZCLCCHI-QMMMGPOBSA-N -1 3 339.298 2.833 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@H](C)[S@@]1=O ZINC000289706564 474387409 /nfs/dbraw/zinc/38/74/09/474387409.db2.gz OUOCVIZEYYASLO-SXKUGOIWSA-N -1 3 331.865 2.786 20 10 EFCDHM COc1ccc(N[C@@H](C)c2ccccc2O)cc1[N-]S(C)(=O)=O ZINC000183677159 474410206 /nfs/dbraw/zinc/41/02/06/474410206.db2.gz UZXOYRRBTJOLMH-NSHDSACASA-N -1 3 336.413 2.945 20 10 EFCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000289765465 474415674 /nfs/dbraw/zinc/41/56/74/474415674.db2.gz RBYWHRQUUFGMCJ-VARDARPISA-N -1 3 346.290 2.886 20 10 EFCDHM Cn1ncc(Cl)c1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000189540566 474436829 /nfs/dbraw/zinc/43/68/29/474436829.db2.gz ACQNXJMNEWCYTJ-AWEZNQCLSA-N -1 3 335.835 2.960 20 10 EFCDHM CCN(Cc1nonc1C)Cc1cc(Br)ccc1[O-] ZINC000266634154 474437266 /nfs/dbraw/zinc/43/72/66/474437266.db2.gz QSTPIXHNSIGGEA-UHFFFAOYSA-N -1 3 326.194 2.868 20 10 EFCDHM COCCOCc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000289816159 474440021 /nfs/dbraw/zinc/44/00/21/474440021.db2.gz SILNMMLKFQODMY-UHFFFAOYSA-N -1 3 346.383 2.753 20 10 EFCDHM Cc1nc2sccn2c1CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271241184 474456611 /nfs/dbraw/zinc/45/66/11/474456611.db2.gz FDRUIABOLUWOGU-UHFFFAOYSA-N -1 3 331.397 2.696 20 10 EFCDHM [O-]c1ccccc1CN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000271253505 474459649 /nfs/dbraw/zinc/45/96/49/474459649.db2.gz FYVJFCZHIZENKH-UHFFFAOYSA-N -1 3 337.423 2.632 20 10 EFCDHM C[C@@H](NCc1ccc(OCc2ccccc2)cc1[O-])c1ncnn1C ZINC000276473337 474557389 /nfs/dbraw/zinc/55/73/89/474557389.db2.gz NBGNRGBYWZTLDG-CQSZACIVSA-N -1 3 338.411 2.951 20 10 EFCDHM COC(=O)[C@@H](CC(F)(F)F)NCc1cc(Cl)cc(OC)c1[O-] ZINC000276516501 474565014 /nfs/dbraw/zinc/56/50/14/474565014.db2.gz UPSQCAXELMAWEK-SECBINFHSA-N -1 3 341.713 2.638 20 10 EFCDHM Cc1noc(C(C)(C)NCc2cc(Br)ccc2[O-])n1 ZINC000284108795 474573998 /nfs/dbraw/zinc/57/39/98/474573998.db2.gz SNBLISLEEIZCMC-UHFFFAOYSA-N -1 3 326.194 2.871 20 10 EFCDHM COc1cc(Cl)cc(CN2CCCN(CC(F)F)CC2)c1[O-] ZINC000290645565 474580850 /nfs/dbraw/zinc/58/08/50/474580850.db2.gz YTCZXSRTNLZHJE-UHFFFAOYSA-N -1 3 334.794 2.827 20 10 EFCDHM CCCCOCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277307408 474581405 /nfs/dbraw/zinc/58/14/05/474581405.db2.gz LGZZYWQWMRSCKG-UHFFFAOYSA-N -1 3 340.807 2.627 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1[O-] ZINC000271741482 474587460 /nfs/dbraw/zinc/58/74/60/474587460.db2.gz ABKQKYMURKMTFV-ADWYPQAOSA-N -1 3 346.290 2.804 20 10 EFCDHM CC1CCN(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277492915 474587677 /nfs/dbraw/zinc/58/76/77/474587677.db2.gz JNFNNKRUFNUMNC-UHFFFAOYSA-N -1 3 341.249 2.503 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1[O-] ZINC000271741487 474587928 /nfs/dbraw/zinc/58/79/28/474587928.db2.gz ABKQKYMURKMTFV-FDMGOTLNSA-N -1 3 346.290 2.804 20 10 EFCDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000271757447 474589211 /nfs/dbraw/zinc/58/92/11/474589211.db2.gz DACIWBRWEVNMQH-CZUORRHYSA-N -1 3 335.835 2.725 20 10 EFCDHM Cc1cc(Br)cc(CN2CC[C@H](C)[S@](=O)CC2)c1[O-] ZINC000277629193 474591447 /nfs/dbraw/zinc/59/14/47/474591447.db2.gz MTWDURLLDLMAOK-JEOXALJRSA-N -1 3 346.290 2.806 20 10 EFCDHM CCCOc1ccc(CN2CCN(Cc3ccncc3)CC2)c([O-])c1 ZINC000184713257 474592960 /nfs/dbraw/zinc/59/29/60/474592960.db2.gz WYUAGDHKVHLGPZ-UHFFFAOYSA-N -1 3 341.455 2.894 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000277823395 474596145 /nfs/dbraw/zinc/59/61/45/474596145.db2.gz RBMVKTQYAJRVTL-ZUZCIYMTSA-N -1 3 349.324 2.869 20 10 EFCDHM CON(C)C(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000291282623 474599678 /nfs/dbraw/zinc/59/96/78/474599678.db2.gz OVDZBTJEQAHBQI-UHFFFAOYSA-N -1 3 347.242 2.931 20 10 EFCDHM COCC[C@H]1COCCN1Cc1cc(Br)cc(C)c1[O-] ZINC000291350380 474600717 /nfs/dbraw/zinc/60/07/17/474600717.db2.gz XEMKQAJPXINUAG-AWEZNQCLSA-N -1 3 344.249 2.700 20 10 EFCDHM COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278253316 474605442 /nfs/dbraw/zinc/60/54/42/474605442.db2.gz PMCNZHDRATVVGL-UHFFFAOYSA-N -1 3 332.356 2.950 20 10 EFCDHM COc1c([O-])c(CNCc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC000278304486 474606560 /nfs/dbraw/zinc/60/65/60/474606560.db2.gz DGPVGDAEXIZTMV-UHFFFAOYSA-N -1 3 331.372 2.665 20 10 EFCDHM COCCOc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1OC ZINC000272530999 474615842 /nfs/dbraw/zinc/61/58/42/474615842.db2.gz ANHCHUIECNDUCQ-UHFFFAOYSA-N -1 3 347.367 2.692 20 10 EFCDHM CC(=O)N1CCCc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc21 ZINC000272848963 474626433 /nfs/dbraw/zinc/62/64/33/474626433.db2.gz SHVQFUNNMMGZHF-UHFFFAOYSA-N -1 3 340.379 2.958 20 10 EFCDHM CCn1cnnc1CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000273391092 474875207 /nfs/dbraw/zinc/87/52/07/474875207.db2.gz KRIHGXJFTRVBQZ-SECBINFHSA-N -1 3 325.210 2.617 20 10 EFCDHM C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000273447710 474901441 /nfs/dbraw/zinc/90/14/41/474901441.db2.gz FIGXDRDUIGAHAS-GUYCJALGSA-N -1 3 328.387 2.983 20 10 EFCDHM COc1ccc(OC)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278897380 474902242 /nfs/dbraw/zinc/90/22/42/474902242.db2.gz QQEJIQMYWNZMOF-UHFFFAOYSA-N -1 3 334.328 2.938 20 10 EFCDHM C[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1[O-] ZINC000273465743 474912691 /nfs/dbraw/zinc/91/26/91/474912691.db2.gz RCPIQUMVMCNDPV-DYVFJYSZSA-N -1 3 343.402 2.768 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN[C@H](c2nncn2C)C(C)C)c1[O-] ZINC000285309186 474967370 /nfs/dbraw/zinc/96/73/70/474967370.db2.gz HYDJHQRAZNFWRX-AWEZNQCLSA-N -1 3 336.823 2.864 20 10 EFCDHM C[C@H]1OCC[C@@]12CN(Cc1cc(Br)ccc1[O-])CCO2 ZINC000279609903 474981654 /nfs/dbraw/zinc/98/16/54/474981654.db2.gz FMANCIPILGRYCY-IAQYHMDHSA-N -1 3 342.233 2.535 20 10 EFCDHM C[C@@H]1OCC[C@@]12CN(Cc1cc(Br)ccc1[O-])CCO2 ZINC000279609906 474982340 /nfs/dbraw/zinc/98/23/40/474982340.db2.gz FMANCIPILGRYCY-XHDPSFHLSA-N -1 3 342.233 2.535 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn3ccc(C)cc3n2)c1 ZINC000273618350 474992681 /nfs/dbraw/zinc/99/26/81/474992681.db2.gz YGAKMIBBVJQMDY-CYBMUJFWSA-N -1 3 339.395 2.986 20 10 EFCDHM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1[O-] ZINC000279829498 474995820 /nfs/dbraw/zinc/99/58/20/474995820.db2.gz BCDQVZNGOZFDBU-CJNGLKHVSA-N -1 3 331.343 2.887 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@H]1CCSC1 ZINC000280011014 475004553 /nfs/dbraw/zinc/00/45/53/475004553.db2.gz GQSUKKBPTBYHDF-SNVBAGLBSA-N -1 3 340.832 2.563 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@H](O)c2ccccc2)CC1 ZINC000280111367 475010172 /nfs/dbraw/zinc/01/01/72/475010172.db2.gz OXFPYSMEWRPSQP-QGZVFWFLSA-N -1 3 327.380 2.684 20 10 EFCDHM CC(C)[C@@H](NCc1cc(Br)ccc1[O-])c1nncn1C ZINC000285608504 475032826 /nfs/dbraw/zinc/03/28/26/475032826.db2.gz VSWYRKFAGYSENR-CYBMUJFWSA-N -1 3 339.237 2.770 20 10 EFCDHM Cc1ccc([C@@H](NCc2ccccc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280646691 475041904 /nfs/dbraw/zinc/04/19/04/475041904.db2.gz JDVMTVPQCHJZBW-KDOFPFPSSA-N -1 3 333.453 2.965 20 10 EFCDHM Cc1ccc(C(=O)N2CCC(CO)(c3ccccc3)CC2)c([O-])c1O ZINC000293725853 475050556 /nfs/dbraw/zinc/05/05/56/475050556.db2.gz ACDZMMMLZUZJER-UHFFFAOYSA-N -1 3 341.407 2.573 20 10 EFCDHM CC[C@H](CO)NC(=O)c1ccc(NCc2cc(F)ccc2[O-])cc1 ZINC000280848223 475052765 /nfs/dbraw/zinc/05/27/65/475052765.db2.gz ZHHLCEXYIOTTAB-OAHLLOKOSA-N -1 3 332.375 2.644 20 10 EFCDHM CC(C)n1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000286136428 475053849 /nfs/dbraw/zinc/05/38/49/475053849.db2.gz TXFKHLVGZXJGTQ-UHFFFAOYSA-N -1 3 348.790 2.792 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000286740375 475077039 /nfs/dbraw/zinc/07/70/39/475077039.db2.gz YDPOBTHTLYSKOS-FZMZJTMJSA-N -1 3 349.324 2.727 20 10 EFCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000339281484 475114598 /nfs/dbraw/zinc/11/45/98/475114598.db2.gz KIUFPOFRLWWCJS-UHFFFAOYSA-N -1 3 340.305 2.534 20 10 EFCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000339281484 475114609 /nfs/dbraw/zinc/11/46/09/475114609.db2.gz KIUFPOFRLWWCJS-UHFFFAOYSA-N -1 3 340.305 2.534 20 10 EFCDHM CC(C)=CCC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000295693789 475130979 /nfs/dbraw/zinc/13/09/79/475130979.db2.gz UXFRPUBKYNECLA-GFCCVEGCSA-N -1 3 340.445 2.628 20 10 EFCDHM COc1c([O-])c(CN(C)[C@@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000369326487 476410015 /nfs/dbraw/zinc/41/00/15/476410015.db2.gz ICZGPYLOZQGNLH-CYBMUJFWSA-N -1 3 346.387 2.552 20 10 EFCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377708310 476538249 /nfs/dbraw/zinc/53/82/49/476538249.db2.gz XBVIMUQKQBAXKB-UKRRQHHQSA-N -1 3 342.233 2.535 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000374891155 476576705 /nfs/dbraw/zinc/57/67/05/476576705.db2.gz BQZYMOFMXRZAEZ-IBGZPJMESA-N -1 3 347.361 2.967 20 10 EFCDHM CCn1nncc1CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000527920068 478570778 /nfs/dbraw/zinc/57/07/78/478570778.db2.gz LKSRFVOGDQXQES-QMMMGPOBSA-N -1 3 343.200 2.756 20 10 EFCDHM CCn1nncc1CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000527918644 478571586 /nfs/dbraw/zinc/57/15/86/478571586.db2.gz CHEQCVLEZLFBJG-SECBINFHSA-N -1 3 325.210 2.617 20 10 EFCDHM COc1ncc(/C=C\C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cn1 ZINC000492647310 479012289 /nfs/dbraw/zinc/01/22/89/479012289.db2.gz JDGIKILHSZJHDL-ZHRWSRJISA-N -1 3 325.368 2.744 20 10 EFCDHM CC(=O)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1[O-] ZINC000611651272 479437485 /nfs/dbraw/zinc/43/74/85/479437485.db2.gz SGLGDKTWDIQJNM-UHFFFAOYSA-N -1 3 340.379 2.700 20 10 EFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(c3nnc[nH]3)CC2)c1[O-] ZINC000363365506 518279338 /nfs/dbraw/zinc/27/93/38/518279338.db2.gz MPNXASHYGAWWGO-UHFFFAOYSA-N -1 3 334.807 2.746 20 10 EFCDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000299229789 520042867 /nfs/dbraw/zinc/04/28/67/520042867.db2.gz ZYIPVGIYGGVDAH-UHFFFAOYSA-N -1 3 337.397 2.608 20 10 EFCDHM CCN(Cc1nnc(C)n1C)Cc1cc(Br)ccc1[O-] ZINC000174425639 528890568 /nfs/dbraw/zinc/89/05/68/528890568.db2.gz MOWDUWZRPZAEFQ-UHFFFAOYSA-N -1 3 339.237 2.614 20 10 EFCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc([S@](C)=O)cc1 ZINC000268824204 545629121 /nfs/dbraw/zinc/62/91/21/545629121.db2.gz KVOVKCKJJYFKIT-BGJPBQGDSA-N -1 3 334.397 2.889 20 10 EFCDHM CCCNC(=O)CN[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756354998 575722325 /nfs/dbraw/zinc/72/23/25/575722325.db2.gz FBHLMPURCHOIAA-MRVPVSSYSA-N -1 3 349.656 2.985 20 10 EFCDHM C[C@H](NCc1cccnc1N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756391431 575729526 /nfs/dbraw/zinc/72/95/26/575729526.db2.gz CEGKNJZPWYCAJF-LBPRGKRZSA-N -1 3 349.381 2.753 20 10 EFCDHM C[C@@H](NCCS(=O)(=O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756458149 575742676 /nfs/dbraw/zinc/74/26/76/575742676.db2.gz UDWGCXWUPWEPKG-LLVKDONJSA-N -1 3 341.379 2.795 20 10 EFCDHM C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756657188 575773593 /nfs/dbraw/zinc/77/35/93/575773593.db2.gz AXKMTVCRJDTLFS-SECBINFHSA-N -1 3 344.293 2.910 20 10 EFCDHM C[C@@H](NCC(=O)NC1CCCC1)c1cc(Br)ccc1[O-] ZINC000756706944 575779044 /nfs/dbraw/zinc/77/90/44/575779044.db2.gz RFVMMGQEOIAUIY-SNVBAGLBSA-N -1 3 341.249 2.864 20 10 EFCDHM C[C@@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])C(=O)N(C)C ZINC000756739957 575782786 /nfs/dbraw/zinc/78/27/86/575782786.db2.gz UKLJTKGYZWCCTB-JGVFFNPUSA-N -1 3 349.656 2.935 20 10 EFCDHM C[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(F)cc1[O-] ZINC000756743744 575783507 /nfs/dbraw/zinc/78/35/07/575783507.db2.gz VOYJKXMQJUFDJB-LLVKDONJSA-N -1 3 335.400 2.712 20 10 EFCDHM C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756757364 575784454 /nfs/dbraw/zinc/78/44/54/575784454.db2.gz BGQFWEXISPZMRL-MLGOLLRUSA-N -1 3 347.415 2.885 20 10 EFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(-c3ccccn3)c2)c1 ZINC000756858191 575794126 /nfs/dbraw/zinc/79/41/26/575794126.db2.gz RLHCFPKIHQDXPA-LBPRGKRZSA-N -1 3 338.367 2.933 20 10 EFCDHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758170275 575861714 /nfs/dbraw/zinc/86/17/14/575861714.db2.gz KWYKHDRVKZTUCT-UHFFFAOYSA-N -1 3 331.752 2.994 20 10 EFCDHM Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1c([O-])ccc2ccncc21 ZINC000758990533 575882099 /nfs/dbraw/zinc/88/20/99/575882099.db2.gz JHDNTIXXSHXUDH-HXUWFJFHSA-N -1 3 347.418 2.922 20 10 EFCDHM O=C(NCCOc1cccc(C(F)(F)F)n1)c1cc([O-])cs1 ZINC000760821025 576077515 /nfs/dbraw/zinc/07/75/15/576077515.db2.gz YNLJLXBMFFMYCS-UHFFFAOYSA-N -1 3 332.303 2.676 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1Cc1ccc(O)cc1 ZINC000760990829 576097934 /nfs/dbraw/zinc/09/79/34/576097934.db2.gz SJYQXDPYPTWBSE-UHFFFAOYSA-N -1 3 346.770 2.716 20 10 EFCDHM O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1cc([O-])cs1 ZINC000761178517 576125710 /nfs/dbraw/zinc/12/57/10/576125710.db2.gz LCUFCAPFSRIOPB-UHFFFAOYSA-N -1 3 344.392 2.745 20 10 EFCDHM CCOC(=O)[C@@H]1CSCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000761191835 576127700 /nfs/dbraw/zinc/12/77/00/576127700.db2.gz XKDUYBBKZYLLKU-LBPRGKRZSA-N -1 3 345.848 2.535 20 10 EFCDHM CCOc1ccc(CN2CCN(Cc3ccncc3)CC2)c([O-])c1 ZINC000761216896 576131061 /nfs/dbraw/zinc/13/10/61/576131061.db2.gz RRCNPWMJWMFPBZ-UHFFFAOYSA-N -1 3 327.428 2.504 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@H]1CCC=CO1 ZINC000761266787 576138197 /nfs/dbraw/zinc/13/81/97/576138197.db2.gz MWHQNNNYPNZIER-CYBMUJFWSA-N -1 3 336.775 2.503 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCC(F)(F)C1 ZINC000761421830 576157423 /nfs/dbraw/zinc/15/74/23/576157423.db2.gz VNFCWEHRSALLSS-LLVKDONJSA-N -1 3 344.745 2.998 20 10 EFCDHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000762544096 576311836 /nfs/dbraw/zinc/31/18/36/576311836.db2.gz GBOTVKKQAQPWJV-JTQLQIEISA-N -1 3 326.418 2.535 20 10 EFCDHM COc1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)ccn1 ZINC000762926834 576347962 /nfs/dbraw/zinc/34/79/62/576347962.db2.gz VLUSRYQNYNCMIY-QGZVFWFLSA-N -1 3 328.412 2.977 20 10 EFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](O)C(C)(C)C ZINC000765162374 577014456 /nfs/dbraw/zinc/01/44/56/577014456.db2.gz CGBKDKJPHKUYHM-ZDUSSCGKSA-N -1 3 344.249 2.910 20 10 EFCDHM CCOc1ccc(CN2CCN(C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000768227996 577261644 /nfs/dbraw/zinc/26/16/44/577261644.db2.gz XFWBAVDLFCNBGN-UHFFFAOYSA-N -1 3 347.459 2.514 20 10 EFCDHM CCOc1ccc(CN2CCN(C(=O)C(CC)CC)CC2)c([O-])c1 ZINC000768337363 577266860 /nfs/dbraw/zinc/26/68/60/577266860.db2.gz FIIMTGHEINXDRX-UHFFFAOYSA-N -1 3 334.460 2.871 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@@H](c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768441781 577273697 /nfs/dbraw/zinc/27/36/97/577273697.db2.gz MVIZDFVADKCLLD-IEBWSBKVSA-N -1 3 345.370 2.531 20 10 EFCDHM [O-]c1cc2c(cc1CN1CCO[C@H](c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768441782 577273763 /nfs/dbraw/zinc/27/37/63/577273763.db2.gz MVIZDFVADKCLLD-MJGOQNOKSA-N -1 3 345.370 2.531 20 10 EFCDHM [O-]c1cc2c(cc1CN(CC1CCC1)CC(F)(F)F)[C@H](O)CO2 ZINC000768463060 577276019 /nfs/dbraw/zinc/27/60/19/577276019.db2.gz FNGOGGYGVUPWNO-CQSZACIVSA-N -1 3 331.334 2.982 20 10 EFCDHM COc1cccc([O-])c1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000769461303 577363675 /nfs/dbraw/zinc/36/36/75/577363675.db2.gz VQBSPZKPQCREAW-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM CC(C)C[C@@H](NC(=O)c1cc([O-])cs1)C(=O)Nc1nccs1 ZINC000770412702 577416465 /nfs/dbraw/zinc/41/64/65/577416465.db2.gz UIYKSLUJEJHUNN-SNVBAGLBSA-N -1 3 339.442 2.693 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)c([O-])c1O ZINC000770486421 577421035 /nfs/dbraw/zinc/42/10/35/577421035.db2.gz JMUALGFPUQXWIU-UHFFFAOYSA-N -1 3 328.324 2.615 20 10 EFCDHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000770506174 577422002 /nfs/dbraw/zinc/42/20/02/577422002.db2.gz WSFPCPLRSQTDLN-CZUORRHYSA-N -1 3 336.432 2.506 20 10 EFCDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000771220785 581189274 /nfs/dbraw/zinc/18/92/74/581189274.db2.gz ZJCVICNXBDADAB-UHFFFAOYSA-N -1 3 337.397 2.527 20 10 EFCDHM CCN1CCN(c2cccc(NC(=O)c3ccc([O-])c(F)c3)c2)CC1 ZINC000771637666 581229190 /nfs/dbraw/zinc/22/91/90/581229190.db2.gz SBWYYEUQWWNONC-UHFFFAOYSA-N -1 3 343.402 2.926 20 10 EFCDHM O=C(c1cc([O-])cs1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000771745646 581238862 /nfs/dbraw/zinc/23/88/62/581238862.db2.gz ZPDDVVILMRBSLU-UHFFFAOYSA-N -1 3 335.400 2.803 20 10 EFCDHM CCOc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)OC)c([O-])c1 ZINC000771924484 581260172 /nfs/dbraw/zinc/26/01/72/581260172.db2.gz JAGXVUYEKVXWMJ-GOSISDBHSA-N -1 3 341.407 2.891 20 10 EFCDHM Cc1cnc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000772119684 581284865 /nfs/dbraw/zinc/28/48/65/581284865.db2.gz DRRHZLSVLUXHCK-UHFFFAOYSA-N -1 3 337.788 2.779 20 10 EFCDHM C[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000773908995 581473286 /nfs/dbraw/zinc/47/32/86/581473286.db2.gz ZHYVZVPNCOCAMN-FDIDITGRSA-N -1 3 335.407 2.714 20 10 EFCDHM C[C@@H](NCc1nnnn1CC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774354706 581490057 /nfs/dbraw/zinc/49/00/57/581490057.db2.gz FCROIKBFWAAQAU-MRVPVSSYSA-N -1 3 342.230 2.946 20 10 EFCDHM COC(=O)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774940837 581504749 /nfs/dbraw/zinc/50/47/49/581504749.db2.gz CZBOAPIKXLHTQU-UHFFFAOYSA-N -1 3 332.312 2.708 20 10 EFCDHM O=C([O-])C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000821511610 598120114 /nfs/dbraw/zinc/12/01/14/598120114.db2.gz LRSBKQPWKVMAEG-UHFFFAOYSA-N -1 3 347.415 2.882 20 10 EFCDHM O=C([O-])c1occc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000740281997 600313869 /nfs/dbraw/zinc/31/38/69/600313869.db2.gz POLJJBBDTWXKFO-HNNXBMFYSA-N -1 3 331.368 2.865 20 10 EFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3CCSC[C@@H]3CC(=O)[O-])c2c1 ZINC000738080309 600705144 /nfs/dbraw/zinc/70/51/44/600705144.db2.gz ZVGBMRSRWRXJSF-ZDUSSCGKSA-N -1 3 347.436 2.946 20 10 EFCDHM COc1ccc2ccc([O-])c(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])c2c1 ZINC000738080309 600705147 /nfs/dbraw/zinc/70/51/47/600705147.db2.gz ZVGBMRSRWRXJSF-ZDUSSCGKSA-N -1 3 347.436 2.946 20 10 EFCDHM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccc2OC)cc1F ZINC000826208871 607641233 /nfs/dbraw/zinc/64/12/33/607641233.db2.gz DBVCWOXDUPYVLV-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM COc1ccc(N(C)Cc2cc(-c3nn[n-]n3)ccc2OC)cc1F ZINC000826208871 607641234 /nfs/dbraw/zinc/64/12/34/607641234.db2.gz DBVCWOXDUPYVLV-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000830075478 604466223 /nfs/dbraw/zinc/46/62/23/604466223.db2.gz XGJMSXBHDWFXKB-QGZVFWFLSA-N -1 3 327.380 2.802 20 10 EFCDHM CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000830075478 604466225 /nfs/dbraw/zinc/46/62/25/604466225.db2.gz XGJMSXBHDWFXKB-QGZVFWFLSA-N -1 3 327.380 2.802 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000826208843 607753891 /nfs/dbraw/zinc/75/38/91/607753891.db2.gz CAGDMPXCIZGRTR-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM COc1ccc(N(C)Cc2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000826208843 607753892 /nfs/dbraw/zinc/75/38/92/607753892.db2.gz CAGDMPXCIZGRTR-UHFFFAOYSA-N -1 3 343.362 2.659 20 10 EFCDHM O=C(NCc1ccccc1O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261377 607196092 /nfs/dbraw/zinc/19/60/92/607196092.db2.gz JVPACUATOBMPFH-UHFFFAOYSA-N -1 3 344.762 2.547 20 10 EFCDHM O=C(NCc1ccccc1O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261377 607196093 /nfs/dbraw/zinc/19/60/93/607196093.db2.gz JVPACUATOBMPFH-UHFFFAOYSA-N -1 3 344.762 2.547 20 10 EFCDHM NC(=O)C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708074380 1259576910 /nfs/dbraw/zinc/57/69/10/1259576910.db2.gz BEDSBPNDIVXHIX-MRVPVSSYSA-N -1 3 347.640 2.505 20 10 EFCDHM CCCN(CC(=O)NC)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708146741 1259678764 /nfs/dbraw/zinc/67/87/64/1259678764.db2.gz SIRFWJSYULMVQG-UHFFFAOYSA-N -1 3 349.656 2.766 20 10 EFCDHM C[C@H](NCc1c(Br)cnn1C)c1ccc(F)cc1[O-] ZINC000710551861 1259828282 /nfs/dbraw/zinc/82/82/82/1259828282.db2.gz NBYDUNMNEVCKCX-QMMMGPOBSA-N -1 3 328.185 2.878 20 10 EFCDHM [O-]c1c(F)cc(F)cc1Nc1ncnn2cc(Br)cc12 ZINC001212484279 1264383911 /nfs/dbraw/zinc/38/39/11/1264383911.db2.gz VKXXQAFEDVTDCX-UHFFFAOYSA-N -1 3 341.115 2.641 20 10 EFCDHM Cc1nc2ccccc2n1CCCNC(=O)c1cccc(O)c1[O-] ZINC000186846125 1267763441 /nfs/dbraw/zinc/76/34/41/1267763441.db2.gz ANBFYAQXNDFPPA-UHFFFAOYSA-N -1 3 325.368 2.576 20 10 EFCDHM O=C1NCCN(Cc2c([O-])ccc3ccncc32)[C@@H]1c1cccs1 ZINC000743383939 1270559310 /nfs/dbraw/zinc/55/93/10/1270559310.db2.gz WGYCHNQXTRLHOY-QGZVFWFLSA-N -1 3 339.420 2.675 20 10 EFCDHM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cccc(O)c1[O-] ZINC000844034991 1278725899 /nfs/dbraw/zinc/72/58/99/1278725899.db2.gz CUOBOYOEKGZIET-DIFFPNOSSA-N -1 3 331.343 2.839 20 10 EFCDHM COc1ccc(O)c(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787130920 1275695911 /nfs/dbraw/zinc/69/59/11/1275695911.db2.gz CNDCWVXHWYZXDI-UHFFFAOYSA-N -1 3 333.359 2.885 20 10 EFCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788685745 1276258949 /nfs/dbraw/zinc/25/89/49/1276258949.db2.gz KVZOSOMWEBLDGQ-RNCFNFMXSA-N -1 3 329.322 2.529 20 10 EFCDHM C[C@H](NCC(F)(F)CN)c1cc(Br)c(F)cc1[O-] ZINC000817966266 1276410557 /nfs/dbraw/zinc/41/05/57/1276410557.db2.gz JXTVFMSDZWFWFK-LURJTMIESA-N -1 3 327.144 2.538 20 10 EFCDHM CCn1nc(C)c(CNCc2cc(C)cc(Br)c2[O-])n1 ZINC000818220421 1276492960 /nfs/dbraw/zinc/49/29/60/1276492960.db2.gz GXSGXMYOBKBECY-UHFFFAOYSA-N -1 3 339.237 2.673 20 10 EFCDHM CCn1nc(C)c(CN[C@@H](C)c2ccc(Br)cc2[O-])n1 ZINC000818344903 1276511882 /nfs/dbraw/zinc/51/18/82/1276511882.db2.gz HWTYUUYGIOXJTF-VIFPVBQESA-N -1 3 339.237 2.925 20 10 EFCDHM O=C(NCc1ccc(OC(F)F)c(F)c1)c1cccc(O)c1[O-] ZINC000818527879 1276525953 /nfs/dbraw/zinc/52/59/53/1276525953.db2.gz FZRFEAXIQGDVRB-UHFFFAOYSA-N -1 3 327.258 2.768 20 10 EFCDHM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1ccc(Cl)cc1[O-] ZINC001273164405 1277156966 /nfs/dbraw/zinc/15/69/66/1277156966.db2.gz VITJNXQXDHAXPY-MRXNPFEDSA-N -1 3 344.789 2.878 20 10 EFCDHM CCNC(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1C ZINC000790130876 1277262282 /nfs/dbraw/zinc/26/22/82/1277262282.db2.gz YVNCBIPKKGUQSF-UHFFFAOYSA-N -1 3 329.356 2.800 20 10 EFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000790412178 1277521998 /nfs/dbraw/zinc/52/19/98/1277521998.db2.gz ZFUCNJQXSPZQFZ-UHFFFAOYSA-N -1 3 349.408 2.850 20 10 EFCDHM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc(O)c1[O-] ZINC000790523612 1277628142 /nfs/dbraw/zinc/62/81/42/1277628142.db2.gz TVCUGCWAOKUUND-NSHDSACASA-N -1 3 329.352 2.578 20 10 EFCDHM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc(O)c1[O-] ZINC000790523609 1277628195 /nfs/dbraw/zinc/62/81/95/1277628195.db2.gz TVCUGCWAOKUUND-LLVKDONJSA-N -1 3 329.352 2.578 20 10 EFCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)OCO2 ZINC000790599423 1277671581 /nfs/dbraw/zinc/67/15/81/1277671581.db2.gz WAIKUBVIWHBFOP-UHFFFAOYSA-N -1 3 329.352 2.534 20 10 EFCDHM O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000790577654 1277681629 /nfs/dbraw/zinc/68/16/29/1277681629.db2.gz YJKADSUOMFPTIQ-CYBMUJFWSA-N -1 3 341.285 2.580 20 10 EFCDHM O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1cccc(O)c1[O-] ZINC000790621098 1277700888 /nfs/dbraw/zinc/70/08/88/1277700888.db2.gz ABWIPKULYTXPIC-UHFFFAOYSA-N -1 3 330.731 2.789 20 10 EFCDHM C[C@@H](c1cccc(NC(=O)c2cccc(O)c2[O-])c1)N1CCOCC1 ZINC000790648905 1277718566 /nfs/dbraw/zinc/71/85/66/1277718566.db2.gz MMLCPHJLZPKKLK-ZDUSSCGKSA-N -1 3 342.395 2.743 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC1)OCCc1ccsc12 ZINC000790922646 1277845799 /nfs/dbraw/zinc/84/57/99/1277845799.db2.gz QGXHKOCOBCHLFK-UHFFFAOYSA-N -1 3 345.420 2.864 20 10 EFCDHM NC(=O)C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000815153191 1287331688 /nfs/dbraw/zinc/33/16/88/1287331688.db2.gz DRPCHMAPKPEQDQ-CYBMUJFWSA-N -1 3 349.774 2.660 20 10 EFCDHM COC(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1OC(C)C ZINC000792849906 1279221860 /nfs/dbraw/zinc/22/18/60/1279221860.db2.gz LUDJNZFKGNBNAE-UHFFFAOYSA-N -1 3 345.351 2.924 20 10 EFCDHM COC(=O)[C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298805 1279387175 /nfs/dbraw/zinc/38/71/75/1279387175.db2.gz JNNPMWQNFZNWIK-SECBINFHSA-N -1 3 346.196 2.679 20 10 EFCDHM O=c1occ2[nH]cc(NCc3cc(Br)ccc3[O-])cc1-2 ZINC001171175873 1279549550 /nfs/dbraw/zinc/54/95/50/1279549550.db2.gz FTHHHFZVOHSWML-UHFFFAOYSA-N -1 3 335.157 2.832 20 10 EFCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793363922 1279571335 /nfs/dbraw/zinc/57/13/35/1279571335.db2.gz YXRDFZOBRCKLGP-XHDPSFHLSA-N -1 3 342.233 2.535 20 10 EFCDHM COc1c([O-])c(CNc2ccc(C(=O)N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000793588294 1279758796 /nfs/dbraw/zinc/75/87/96/1279758796.db2.gz IQRNPWPGSQRPAP-UHFFFAOYSA-N -1 3 345.355 2.623 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)c([O-])c1O ZINC000794106162 1280032566 /nfs/dbraw/zinc/03/25/66/1280032566.db2.gz PWSDTYCEIUNFBC-UHFFFAOYSA-N -1 3 346.314 2.754 20 10 EFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cn1 ZINC000794167243 1280054877 /nfs/dbraw/zinc/05/48/77/1280054877.db2.gz BHZJODPIJIRTQR-MRVPVSSYSA-N -1 3 337.173 2.746 20 10 EFCDHM Cc1ccc(C(=O)N2CCCCN2C(=O)OC(C)(C)C)c([O-])c1O ZINC000846530903 1280233276 /nfs/dbraw/zinc/23/32/76/1280233276.db2.gz IDCDYDOWQJXMHQ-UHFFFAOYSA-N -1 3 336.388 2.794 20 10 EFCDHM CN1CCC(NC(=S)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000806599204 1281104433 /nfs/dbraw/zinc/10/44/33/1281104433.db2.gz PTSINEDNHUDXLX-UHFFFAOYSA-N -1 3 348.299 2.757 20 10 EFCDHM COC(=O)c1cc(Cl)cc(NC(=O)C2=CC(=O)CS2)c1[O-] ZINC000807766655 1281418737 /nfs/dbraw/zinc/41/87/37/1281418737.db2.gz FNCGDFCLNKPOPS-UHFFFAOYSA-N -1 3 327.745 2.852 20 10 EFCDHM O=C(Nc1n[nH]c2ccc(Br)cc21)c1cccc(O)c1[O-] ZINC001148212788 1281453975 /nfs/dbraw/zinc/45/39/75/1281453975.db2.gz MKUOFURZGFMHIK-UHFFFAOYSA-N -1 3 348.156 2.989 20 10 EFCDHM COc1ncc(NC(=O)c2cccc(O)c2[O-])cc1C(F)(F)F ZINC001148212307 1281454613 /nfs/dbraw/zinc/45/46/13/1281454613.db2.gz WVFMTOAILPQWJQ-UHFFFAOYSA-N -1 3 328.246 2.773 20 10 EFCDHM CC(C)(C)OC(=O)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148219153 1281456805 /nfs/dbraw/zinc/45/68/05/1281456805.db2.gz VERJGRWSFCMGJF-UHFFFAOYSA-N -1 3 335.400 2.682 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001148218826 1281457643 /nfs/dbraw/zinc/45/76/43/1281457643.db2.gz MOYXCQGGPBLXQO-RYUDHWBXSA-N -1 3 344.798 2.855 20 10 EFCDHM CN1c2cc(NC(=O)c3cccc(O)c3[O-])ccc2C(C)(C)C1=O ZINC001148218661 1281457651 /nfs/dbraw/zinc/45/76/51/1281457651.db2.gz FPOXZOSLSYWXJW-UHFFFAOYSA-N -1 3 326.352 2.604 20 10 EFCDHM COC(=O)C1(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CC1 ZINC001148218525 1281457789 /nfs/dbraw/zinc/45/77/89/1281457789.db2.gz DABQGYMGGCKOOE-UHFFFAOYSA-N -1 3 327.336 2.555 20 10 EFCDHM CN(Cc1nncn1C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000808214277 1281592588 /nfs/dbraw/zinc/59/25/88/1281592588.db2.gz BEKVCZFOWKWJIT-UHFFFAOYSA-N -1 3 326.400 2.778 20 10 EFCDHM O=C(Nc1csc(-c2ccncc2)n1)c1cc(O)c([O-])c(O)c1 ZINC001148582547 1281658180 /nfs/dbraw/zinc/65/81/80/1281658180.db2.gz KQPPXCTYTUZDGO-UHFFFAOYSA-N -1 3 329.337 2.574 20 10 EFCDHM CCOC(=O)c1c(C)csc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582196 1281658940 /nfs/dbraw/zinc/65/89/40/1281658940.db2.gz ZVBJVVFWFRNRCB-UHFFFAOYSA-N -1 3 337.353 2.602 20 10 EFCDHM COc1ccc2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2n1 ZINC001148586769 1281662533 /nfs/dbraw/zinc/66/25/33/1281662533.db2.gz XIDDIYUTAUEAOF-UHFFFAOYSA-N -1 3 326.308 2.613 20 10 EFCDHM COc1ccccc1CC(C)(C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590496 1281664217 /nfs/dbraw/zinc/66/42/17/1281664217.db2.gz LMXGEHBMVABRLT-UHFFFAOYSA-N -1 3 331.368 2.563 20 10 EFCDHM COc1ccc(CC2(NC(=O)c3cc(O)c([O-])c(O)c3)CCC2)cc1 ZINC001148590448 1281664928 /nfs/dbraw/zinc/66/49/28/1281664928.db2.gz KGUHOLFVWAYWNZ-UHFFFAOYSA-N -1 3 343.379 2.707 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000805328147 1281970579 /nfs/dbraw/zinc/97/05/79/1281970579.db2.gz NKVHKJVUAXHABM-QWHCGFSZSA-N -1 3 345.420 2.739 20 10 EFCDHM COc1cc(Cl)cc([C@@H]2NC(=O)[C@@H]3Cc4ccccc4CN23)c1[O-] ZINC000871602423 1287168817 /nfs/dbraw/zinc/16/88/17/1287168817.db2.gz YXKVZMOMKJNOHF-WMLDXEAASA-N -1 3 344.798 2.610 20 10 EFCDHM CN(CC(=O)NCc1cccs1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816511838 1288180515 /nfs/dbraw/zinc/18/05/15/1288180515.db2.gz MHNJFLJCPONKGE-UHFFFAOYSA-N -1 3 342.823 2.994 20 10 EFCDHM COCCc1noc(CN(C)Cc2ccc3ccccc3c2[O-])n1 ZINC000816514072 1288182918 /nfs/dbraw/zinc/18/29/18/1288182918.db2.gz LNYUWMPOIWZZFG-UHFFFAOYSA-N -1 3 327.384 2.749 20 10 EFCDHM NC(=O)[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccc(F)cc1 ZINC000816571095 1288211682 /nfs/dbraw/zinc/21/16/82/1288211682.db2.gz SBBQKJAEIRIFGJ-CQSZACIVSA-N -1 3 326.730 2.640 20 10 EFCDHM CCOC(=O)C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824484719 1289664298 /nfs/dbraw/zinc/66/42/98/1289664298.db2.gz RKDMMRHWPWPJDS-UHFFFAOYSA-N -1 3 342.233 2.930 20 10 EFCDHM CCOC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])C1CCOCC1 ZINC000825671084 1289699667 /nfs/dbraw/zinc/69/96/67/1289699667.db2.gz FLLUPRKZOHFSNV-MRXNPFEDSA-N -1 3 341.835 2.802 20 10 EFCDHM COC(=O)[C@H](CC(F)(F)F)NCc1cc(Cl)c(C)cc1[O-] ZINC000825672113 1289701601 /nfs/dbraw/zinc/70/16/01/1289701601.db2.gz ZMFZDGVSYVKOTK-JTQLQIEISA-N -1 3 325.714 2.938 20 10 EFCDHM C[C@H]1OCC[C@]12CN(Cc1ccc(Br)cc1[O-])CCO2 ZINC000825738649 1290262836 /nfs/dbraw/zinc/26/28/36/1290262836.db2.gz RDEFZAXHVNPFPN-ABAIWWIYSA-N -1 3 342.233 2.535 20 10 EFCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000825754076 1290416467 /nfs/dbraw/zinc/41/64/67/1290416467.db2.gz ZGKKEJYBFYQZKD-XHDPSFHLSA-N -1 3 342.233 2.535 20 10 EFCDHM CCC(=O)N1CCc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc21 ZINC000888683639 1290685965 /nfs/dbraw/zinc/68/59/65/1290685965.db2.gz CXBLJFIPOBNEPI-UHFFFAOYSA-N -1 3 340.379 2.958 20 10 EFCDHM Cc1noc(C(C)(C)NCc2ccc(Br)cc2[O-])n1 ZINC000825833979 1290744265 /nfs/dbraw/zinc/74/42/65/1290744265.db2.gz HWJCINYIYPTSLU-UHFFFAOYSA-N -1 3 326.194 2.871 20 10 EFCDHM CCOC(=O)[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000092456266 1290756069 /nfs/dbraw/zinc/75/60/69/1290756069.db2.gz YXJWAXAHTPGYHS-GFCCVEGCSA-N -1 3 342.233 2.930 20 10 EFCDHM COC(=O)CN(Cc1ccns1)Cc1cc(Cl)ccc1[O-] ZINC000876715145 1290987402 /nfs/dbraw/zinc/98/74/02/1290987402.db2.gz JQLPVDBKFIHJGZ-UHFFFAOYSA-N -1 3 326.805 2.677 20 10 EFCDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])[C@H](C)CO1 ZINC001232980270 1312825336 /nfs/dbraw/zinc/82/53/36/1312825336.db2.gz OCQJENFFYOXBTL-NXEZZACHSA-N -1 3 347.196 2.606 20 10 EFCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])NCC1CCOCC1 ZINC001186955270 1291056657 /nfs/dbraw/zinc/05/66/57/1291056657.db2.gz IVXFQHNPTNDDTC-UHFFFAOYSA-N -1 3 349.818 2.820 20 10 EFCDHM COC(=O)CCN(Cc1c([O-])cc(Br)cc1F)C1CC1 ZINC001233029201 1312835983 /nfs/dbraw/zinc/83/59/83/1312835983.db2.gz BWGMTMHYDBYWGC-UHFFFAOYSA-N -1 3 346.196 2.821 20 10 EFCDHM [O-]c1cc(Br)cc(F)c1CN1CCc2nccn2CC1 ZINC001233030088 1312836349 /nfs/dbraw/zinc/83/63/49/1312836349.db2.gz MMRDSLKGUGBACJ-UHFFFAOYSA-N -1 3 340.196 2.549 20 10 EFCDHM CCN1CCN(Cc2c([O-])cc(Br)cc2F)[C@H](C)C1 ZINC001233033676 1312838335 /nfs/dbraw/zinc/83/83/35/1312838335.db2.gz TZDYRSPWNPYNTI-SNVBAGLBSA-N -1 3 331.229 2.820 20 10 EFCDHM COC(=O)c1occc1CNCc1cccc(Br)c1[O-] ZINC000775152685 1291258694 /nfs/dbraw/zinc/25/86/94/1291258694.db2.gz OWAITAYNMSEGPS-UHFFFAOYSA-N -1 3 340.173 2.824 20 10 EFCDHM CC(=O)NC[C@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000877675759 1291324827 /nfs/dbraw/zinc/32/48/27/1291324827.db2.gz TUEQMMYLQFQIQI-CQSZACIVSA-N -1 3 341.249 2.645 20 10 EFCDHM [O-]c1c(CN2CC3(C2)CCN(Cc2cccnc2)C3)ccc(F)c1F ZINC001233074796 1312849378 /nfs/dbraw/zinc/84/93/78/1312849378.db2.gz NANVHHASXVIJDE-UHFFFAOYSA-N -1 3 345.393 2.773 20 10 EFCDHM O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233077238 1312850158 /nfs/dbraw/zinc/85/01/58/1312850158.db2.gz NCUIDNXSEBVFOZ-AAEUAGOBSA-N -1 3 348.349 2.610 20 10 EFCDHM O=C1OC2(CCN(Cc3ccc(F)c(F)c3[O-])CC2)c2cccnc21 ZINC001233078617 1312850910 /nfs/dbraw/zinc/85/09/10/1312850910.db2.gz AWGVIOWIAQDLBO-UHFFFAOYSA-N -1 3 346.333 2.727 20 10 EFCDHM COc1cc(O[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)ccn1 ZINC001233079411 1312850961 /nfs/dbraw/zinc/85/09/61/1312850961.db2.gz AZJLXCQLHUCEDM-ZDUSSCGKSA-N -1 3 336.338 2.727 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)CC2)cc1Br ZINC001233137037 1312864374 /nfs/dbraw/zinc/86/43/74/1312864374.db2.gz FYTTZQHNHIJREJ-UHFFFAOYSA-N -1 3 328.206 2.718 20 10 EFCDHM COc1cc([O-])c(CN2CCOC[C@@H]2C2CC2)cc1Br ZINC001233142505 1312864899 /nfs/dbraw/zinc/86/48/99/1312864899.db2.gz SWSOHONHMCRPCZ-CYBMUJFWSA-N -1 3 342.233 2.774 20 10 EFCDHM Cc1cc([O-])c(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000826074673 1291787604 /nfs/dbraw/zinc/78/76/04/1291787604.db2.gz FUTPRGDQDKCCFU-MRXNPFEDSA-N -1 3 343.876 2.755 20 10 EFCDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233335611 1312906311 /nfs/dbraw/zinc/90/63/11/1312906311.db2.gz DCGIRCKLNXHKNN-GXFFZTMASA-N -1 3 340.370 2.722 20 10 EFCDHM [O-]c1c(CN2CCN3CC(F)(F)C[C@H]3C2)cccc1C(F)(F)F ZINC001233419372 1312928571 /nfs/dbraw/zinc/92/85/71/1312928571.db2.gz VOANTENFRCTEQY-NSHDSACASA-N -1 3 336.304 2.936 20 10 EFCDHM CCOC(=O)[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCS1 ZINC001233419093 1312929066 /nfs/dbraw/zinc/92/90/66/1312929066.db2.gz JCWJSBFZFFXQQV-GFCCVEGCSA-N -1 3 349.374 2.892 20 10 EFCDHM Cc1[nH]c(=O)sc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001191413273 1292536262 /nfs/dbraw/zinc/53/62/62/1292536262.db2.gz KGFOSSXSSWRUQP-UHFFFAOYSA-N -1 3 349.799 2.994 20 10 EFCDHM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452160 1312934772 /nfs/dbraw/zinc/93/47/72/1312934772.db2.gz MJEAVDIAOQTCDA-SWLSCSKDSA-N -1 3 329.318 2.939 20 10 EFCDHM COC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454873 1312934879 /nfs/dbraw/zinc/93/48/79/1312934879.db2.gz NDNWWNJNKPIJGR-JTQLQIEISA-N -1 3 339.260 2.794 20 10 EFCDHM COc1ncnc2c1CCN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233454046 1312934931 /nfs/dbraw/zinc/93/49/31/1312934931.db2.gz DXPGEIGYJBEDCZ-UHFFFAOYSA-N -1 3 339.317 2.768 20 10 EFCDHM Cc1cnncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001192946496 1293106354 /nfs/dbraw/zinc/10/63/54/1293106354.db2.gz OEJWAOXHALMURB-UHFFFAOYSA-N -1 3 328.759 2.622 20 10 EFCDHM CCOC[C@H]1Cn2nccc2CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203658384 1312982437 /nfs/dbraw/zinc/98/24/37/1312982437.db2.gz LHZMIYBLLTUTIS-CYBMUJFWSA-N -1 3 335.835 2.911 20 10 EFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC001203663967 1312984218 /nfs/dbraw/zinc/98/42/18/1312984218.db2.gz IHSGCPNUEJAHPF-UHFFFAOYSA-N -1 3 330.815 2.890 20 10 EFCDHM O=C1[C@@H](NCc2cc(F)cc(F)c2[O-])CCN1Cc1ccccc1 ZINC000882940915 1293393950 /nfs/dbraw/zinc/39/39/50/1293393950.db2.gz CVBYVKKEPSOIFB-INIZCTEOSA-N -1 3 332.350 2.561 20 10 EFCDHM CCc1cc(CNCc2cc(Br)cc(F)c2[O-])[nH]n1 ZINC000882997448 1293421635 /nfs/dbraw/zinc/42/16/35/1293421635.db2.gz OPLZTKAIKAVNSH-UHFFFAOYSA-N -1 3 328.185 2.869 20 10 EFCDHM CCCCN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000775643345 1293831996 /nfs/dbraw/zinc/83/19/96/1293831996.db2.gz VJGCSOBLOLDSNG-ZDUSSCGKSA-N -1 3 349.855 2.974 20 10 EFCDHM O=S(=O)(NCc1cc2ccccc2cc1O)c1ccc([O-])cc1 ZINC001195829869 1294053962 /nfs/dbraw/zinc/05/39/62/1294053962.db2.gz WVCYCTFFNQYXFN-UHFFFAOYSA-N -1 3 329.377 2.730 20 10 EFCDHM Cc1ncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1C ZINC001196077635 1294125209 /nfs/dbraw/zinc/12/52/09/1294125209.db2.gz FQVQWUIPBSQOIT-UHFFFAOYSA-N -1 3 330.775 2.566 20 10 EFCDHM CC(C)OCCN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775714121 1294227308 /nfs/dbraw/zinc/22/73/08/1294227308.db2.gz QYGJUKWSBPWHQY-UHFFFAOYSA-N -1 3 330.831 2.727 20 10 EFCDHM Cc1ncsc1CN1CC2(C1)CN(Cc1c([O-])cccc1F)C2 ZINC001276354256 1294571004 /nfs/dbraw/zinc/57/10/04/1294571004.db2.gz ODBAJUMQFJHKFG-UHFFFAOYSA-N -1 3 333.432 2.614 20 10 EFCDHM C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1c([O-])cccc1F ZINC000886543806 1295008705 /nfs/dbraw/zinc/00/87/05/1295008705.db2.gz VQDUCTHAYJKOGB-BBRMVZONSA-N -1 3 328.387 2.983 20 10 EFCDHM COc1ccccc1CCNC(=O)CN[C@@H](C)c1c([O-])cccc1F ZINC000886605711 1295051929 /nfs/dbraw/zinc/05/19/29/1295051929.db2.gz XBGJVPUXKILWGQ-ZDUSSCGKSA-N -1 3 346.402 2.549 20 10 EFCDHM COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Br)ccc1[O-] ZINC000775999291 1295641606 /nfs/dbraw/zinc/64/16/06/1295641606.db2.gz IVPVAGOFHDJWLQ-ZWNOBZJWSA-N -1 3 342.233 2.928 20 10 EFCDHM CC(C)OCCOc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748190 1313188494 /nfs/dbraw/zinc/18/84/94/1313188494.db2.gz GTVJXLJFZYXARH-UHFFFAOYSA-N -1 3 346.335 2.867 20 10 EFCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H]3CCCOC3)c12 ZINC001234749278 1313188932 /nfs/dbraw/zinc/18/89/32/1313188932.db2.gz QUWVIRJFYSRUGK-JTQLQIEISA-N -1 3 344.319 2.621 20 10 EFCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](O)[C@@H](F)CC1 ZINC001235057808 1313233434 /nfs/dbraw/zinc/23/34/34/1313233434.db2.gz TYRZUXDEEFQDJR-CMPLNLGQSA-N -1 3 336.176 2.589 20 10 EFCDHM C[C@H]1CC[C@H](CO)CN1Cc1cc(Br)cc(F)c1[O-] ZINC001235057493 1313233941 /nfs/dbraw/zinc/23/39/41/1313233941.db2.gz PICXYYCFUCLDCH-UWVGGRQHSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])[C@@H]1CO ZINC001235295924 1313283982 /nfs/dbraw/zinc/28/39/82/1313283982.db2.gz GNPTVEFSAYUKMM-TVQRCGJNSA-N -1 3 332.213 2.887 20 10 EFCDHM [O-]c1c(Br)cc(F)cc1CN1CC(N2CCCCC2)C1 ZINC001235303713 1313286410 /nfs/dbraw/zinc/28/64/10/1313286410.db2.gz QGPJILMFXPKAIN-UHFFFAOYSA-N -1 3 343.240 2.964 20 10 EFCDHM CCNC(=O)[C@@H]1CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001236668852 1313506704 /nfs/dbraw/zinc/50/67/04/1313506704.db2.gz FIGCZZVQDDNKSY-ZDUSSCGKSA-N -1 3 341.249 2.564 20 10 EFCDHM COc1cc([O-])c(CN2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC001236798280 1313531428 /nfs/dbraw/zinc/53/14/28/1313531428.db2.gz MSGVBSLEOHCLLZ-GFCCVEGCSA-N -1 3 325.714 2.553 20 10 EFCDHM COc1cc([O-])c(CN2C[C@@H](C)OC[C@@H]2C)c(Br)c1 ZINC001237067443 1313580645 /nfs/dbraw/zinc/58/06/45/1313580645.db2.gz JDBFENIKNZMLDP-VHSXEESVSA-N -1 3 330.222 2.773 20 10 EFCDHM CCN(Cc1c([O-])cc(OC)cc1Br)[C@@H](C)C(=O)OC ZINC001237068491 1313581000 /nfs/dbraw/zinc/58/10/00/1313581000.db2.gz QYEIHYDHVQWDFQ-VIFPVBQESA-N -1 3 346.221 2.547 20 10 EFCDHM COc1cc([O-])c(CN2CCCC23COC3)c(Br)c1 ZINC001237072868 1313581626 /nfs/dbraw/zinc/58/16/26/1313581626.db2.gz MCZJXRDZNSWDRE-UHFFFAOYSA-N -1 3 328.206 2.528 20 10 EFCDHM CC[C@H]1COCCN1Cc1c([O-])cc(OC)cc1Br ZINC001237071235 1313582248 /nfs/dbraw/zinc/58/22/48/1313582248.db2.gz TXDPDCWQNWTXNH-JTQLQIEISA-N -1 3 330.222 2.774 20 10 EFCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCN([C@H]2CCOC2)CC1 ZINC001237078034 1313582526 /nfs/dbraw/zinc/58/25/26/1313582526.db2.gz MNMAHDMIODOAOY-NSHDSACASA-N -1 3 331.243 2.606 20 10 EFCDHM CC(C)(O)CCN1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237087608 1313583754 /nfs/dbraw/zinc/58/37/54/1313583754.db2.gz ZQOZLKHXXVUJTK-UHFFFAOYSA-N -1 3 347.286 2.978 20 10 EFCDHM COc1cc([O-])c(CN2CCCC(=O)[C@@H](C)C2)c(Br)c1 ZINC001237059012 1313578562 /nfs/dbraw/zinc/57/85/62/1313578562.db2.gz DFGOWBAHXDWYMY-JTQLQIEISA-N -1 3 342.233 2.964 20 10 EFCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC001237123930 1313590709 /nfs/dbraw/zinc/59/07/09/1313590709.db2.gz MKXVVLZEYWOWLI-LBPRGKRZSA-N -1 3 327.705 2.931 20 10 EFCDHM Cc1nccnc1O[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125218 1313591070 /nfs/dbraw/zinc/59/10/70/1313591070.db2.gz ASWZFUHPNKPYDO-NSHDSACASA-N -1 3 337.782 2.936 20 10 EFCDHM CCOC(=O)NC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237128540 1313591655 /nfs/dbraw/zinc/59/16/55/1313591655.db2.gz RIROAKXYHZKVLC-UHFFFAOYSA-N -1 3 330.787 2.895 20 10 EFCDHM O=c1[n-]c(Cl)c(CN2CCCc3cc(O)c(O)cc3C2)s1 ZINC001237167522 1313597316 /nfs/dbraw/zinc/59/73/16/1313597316.db2.gz BWPQXIKQUJOMRE-UHFFFAOYSA-N -1 3 326.805 2.862 20 10 EFCDHM Cc1nc(COc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)no1 ZINC000776650302 1300069110 /nfs/dbraw/zinc/06/91/10/1300069110.db2.gz VAUXDBULLXNKCB-UHFFFAOYSA-N -1 3 341.323 2.621 20 10 EFCDHM COc1ccc(N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000853252671 1300069471 /nfs/dbraw/zinc/06/94/71/1300069471.db2.gz QVIQXSBIZNYQHC-UHFFFAOYSA-N -1 3 344.371 2.785 20 10 EFCDHM O=C1CCCC2(CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)N1 ZINC001237617651 1313677940 /nfs/dbraw/zinc/67/79/40/1313677940.db2.gz BTRSQXZUZJKSEN-UHFFFAOYSA-N -1 3 326.799 2.819 20 10 EFCDHM Cc1nccnc1O[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237623419 1313678680 /nfs/dbraw/zinc/67/86/80/1313678680.db2.gz MTNYDXCOBXTWTF-CYBMUJFWSA-N -1 3 337.782 2.936 20 10 EFCDHM COc1ccc(N2CC[C@@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000853699885 1300237087 /nfs/dbraw/zinc/23/70/87/1300237087.db2.gz QUAXQZRYTJCECO-LBPRGKRZSA-N -1 3 344.371 2.642 20 10 EFCDHM Cc1cc([O-])c(CN2CCN(CCF)CC2)cc1Br ZINC001237682248 1313690614 /nfs/dbraw/zinc/69/06/14/1313690614.db2.gz OSACORFDFGMWNE-UHFFFAOYSA-N -1 3 331.229 2.550 20 10 EFCDHM CC(=O)N1CCN(Cc2cc(Br)c(C)cc2[O-])C[C@H]1C ZINC001237683336 1313690698 /nfs/dbraw/zinc/69/06/98/1313690698.db2.gz YMNCWHLYKLGLEF-LLVKDONJSA-N -1 3 341.249 2.516 20 10 EFCDHM CCN1C[C@@H](C)N(Cc2cc(Br)c(C)cc2[O-])CC1=O ZINC001237685317 1313692061 /nfs/dbraw/zinc/69/20/61/1313692061.db2.gz PMVQSIMFWRFJDY-LLVKDONJSA-N -1 3 341.249 2.516 20 10 EFCDHM [O-]c1c(I)cccc1CN1CCC2(CC2)C1 ZINC001237775096 1313704236 /nfs/dbraw/zinc/70/42/36/1313704236.db2.gz CVHAPILYIKYJGK-UHFFFAOYSA-N -1 3 329.181 2.983 20 10 EFCDHM Cc1nccnc1O[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941327 1313735029 /nfs/dbraw/zinc/73/50/29/1313735029.db2.gz VEXCNQKTWZTBBB-GFCCVEGCSA-N -1 3 337.782 2.936 20 10 EFCDHM COc1ccc(N2CCN(C(=O)c3c(C)cccc3[O-])CC2)cc1F ZINC000859966346 1301655755 /nfs/dbraw/zinc/65/57/55/1301655755.db2.gz UPWWOGJVCKGSHV-UHFFFAOYSA-N -1 3 344.386 2.811 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000862251764 1302320771 /nfs/dbraw/zinc/32/07/71/1302320771.db2.gz MPNQQEJGJFTEFK-HUUCEWRRSA-N -1 3 342.233 2.535 20 10 EFCDHM CCCCCN(CC(N)=O)Cc1c([O-])cccc1Br ZINC000862307451 1302332182 /nfs/dbraw/zinc/33/21/82/1302332182.db2.gz LFVNHAPKBISUTP-UHFFFAOYSA-N -1 3 329.238 2.632 20 10 EFCDHM [O-]c1cccc(Br)c1CN1CCC(F)(F)[C@H](CO)C1 ZINC000862371573 1302353304 /nfs/dbraw/zinc/35/33/04/1302353304.db2.gz IAQZIYXEPFSSIW-VIFPVBQESA-N -1 3 336.176 2.604 20 10 EFCDHM CC(C)(C)NC(=O)c1cc2c([nH]1)CN(Cc1cc(F)ccc1[O-])CC2 ZINC001278254856 1313843801 /nfs/dbraw/zinc/84/38/01/1313843801.db2.gz KBMFVFMVZZNXKG-UHFFFAOYSA-N -1 3 345.418 2.946 20 10 EFCDHM CCN(C(=O)c1n[nH]c2c1CN(Cc1cc(F)ccc1[O-])C2)C(C)C ZINC001278254719 1313844140 /nfs/dbraw/zinc/84/41/40/1313844140.db2.gz FIPOSIDXWNBTLN-UHFFFAOYSA-N -1 3 346.406 2.641 20 10 EFCDHM COCCOCc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000863349940 1302594766 /nfs/dbraw/zinc/59/47/66/1302594766.db2.gz NQOWAKOZOTYZNY-UHFFFAOYSA-N -1 3 331.368 2.822 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)[C@@H](C)[C@H]3C)c2c1 ZINC000122499399 1304687982 /nfs/dbraw/zinc/68/79/82/1304687982.db2.gz VHQGWIAVEMFSDJ-OLZOCXBDSA-N -1 3 349.452 2.561 20 10 EFCDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)[C@H](C)[C@H]3C)c2c1 ZINC000122499796 1304688366 /nfs/dbraw/zinc/68/83/66/1304688366.db2.gz VHQGWIAVEMFSDJ-CHWSQXEVSA-N -1 3 349.452 2.561 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCN(c3nccs3)CC2)c1[O-] ZINC000122702543 1304901972 /nfs/dbraw/zinc/90/19/72/1304901972.db2.gz ZMJFHXLNTBBZFD-UHFFFAOYSA-N -1 3 335.404 2.513 20 10 EFCDHM C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000870122077 1305151329 /nfs/dbraw/zinc/15/13/29/1305151329.db2.gz ITRBEDVEIYRZDX-CQSZACIVSA-N -1 3 326.396 2.617 20 10 EFCDHM C[C@@H](NCc1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000123342631 1305614964 /nfs/dbraw/zinc/61/49/64/1305614964.db2.gz DKVOPDQBICWXNI-SECBINFHSA-N -1 3 330.222 2.975 20 10 EFCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCNC[C@H](F)C1 ZINC001210609227 1314359221 /nfs/dbraw/zinc/35/92/21/1314359221.db2.gz FWIZGEAEAOCOGV-JTQLQIEISA-N -1 3 337.620 2.551 20 10 EFCDHM COc1cc(O)ccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000901702651 1310907321 /nfs/dbraw/zinc/90/73/21/1310907321.db2.gz GRXVPFKOQCOGRY-XJKSGUPXSA-N -1 3 337.372 2.838 20 10 EFCDHM COc1cc(O)ccc1[N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000901702650 1310907331 /nfs/dbraw/zinc/90/73/31/1310907331.db2.gz GRXVPFKOQCOGRY-CZUORRHYSA-N -1 3 337.372 2.838 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1[O-] ZINC000750837363 1311096892 /nfs/dbraw/zinc/09/68/92/1311096892.db2.gz JYTIVZMJRJJFJI-AMIZOPFISA-N -1 3 335.297 2.886 20 10 EFCDHM Oc1ccc(CNC(F)(F)c2cc(Cl)nc(=S)[n-]2)cc1O ZINC001158997699 1311431019 /nfs/dbraw/zinc/43/10/19/1311431019.db2.gz NSOOQRMBNOBQDZ-UHFFFAOYSA-N -1 3 333.747 2.669 20 10 EFCDHM CN1CCC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937184 1311876070 /nfs/dbraw/zinc/87/60/70/1311876070.db2.gz DQZMRTJDJJKKCX-CQSZACIVSA-N -1 3 327.380 2.802 20 10 EFCDHM CC(C)OCCOc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229186595 1312058719 /nfs/dbraw/zinc/05/87/19/1312058719.db2.gz MOQMNJFAWGCAHK-UHFFFAOYSA-N -1 3 326.348 2.971 20 10 EFCDHM C[C@@H]1COCC[C@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191578 1312059544 /nfs/dbraw/zinc/05/95/44/1312059544.db2.gz CSTSBWBAVDWMOG-IAQYHMDHSA-N -1 3 338.359 2.971 20 10 EFCDHM CC[C@@H](COC)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192659 1312059922 /nfs/dbraw/zinc/05/99/22/1312059922.db2.gz ROUYOIOFGWJUAL-NSHDSACASA-N -1 3 326.348 2.971 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001231452098 1312500237 /nfs/dbraw/zinc/50/02/37/1312500237.db2.gz DBLZQXJQJBPOIL-MRXNPFEDSA-N -1 3 331.343 2.883 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001231452098 1312500239 /nfs/dbraw/zinc/50/02/39/1312500239.db2.gz DBLZQXJQJBPOIL-MRXNPFEDSA-N -1 3 331.343 2.883 20 10 EFCDHM Cc1cnc2n1CCC21CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231448987 1312500667 /nfs/dbraw/zinc/50/06/67/1312500667.db2.gz CAGSRJZSNQTTLJ-UHFFFAOYSA-N -1 3 341.411 2.533 20 10 EFCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC001231452629 1312500695 /nfs/dbraw/zinc/50/06/95/1312500695.db2.gz DUWMMWNYBMYTQW-MRXNPFEDSA-N -1 3 331.343 2.883 20 10 EFCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC001231452629 1312500699 /nfs/dbraw/zinc/50/06/99/1312500699.db2.gz DUWMMWNYBMYTQW-MRXNPFEDSA-N -1 3 331.343 2.883 20 10 EFCDHM CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1C ZINC001231454024 1312500952 /nfs/dbraw/zinc/50/09/52/1312500952.db2.gz SVDBMXSXJDJJFT-CHWSQXEVSA-N -1 3 335.400 2.502 20 10 EFCDHM CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1C ZINC001231454024 1312500953 /nfs/dbraw/zinc/50/09/53/1312500953.db2.gz SVDBMXSXJDJJFT-CHWSQXEVSA-N -1 3 335.400 2.502 20 10 EFCDHM CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453582 1312501018 /nfs/dbraw/zinc/50/10/18/1312501018.db2.gz IQWITIQWTLBYNG-AWEZNQCLSA-N -1 3 335.400 2.787 20 10 EFCDHM CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453582 1312501021 /nfs/dbraw/zinc/50/10/21/1312501021.db2.gz IQWITIQWTLBYNG-AWEZNQCLSA-N -1 3 335.400 2.787 20 10 EFCDHM Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)c1 ZINC001231453811 1312501039 /nfs/dbraw/zinc/50/10/39/1312501039.db2.gz PWDWCLDEBQILJQ-INIZCTEOSA-N -1 3 342.395 2.837 20 10 EFCDHM Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)c1 ZINC001231453811 1312501043 /nfs/dbraw/zinc/50/10/43/1312501043.db2.gz PWDWCLDEBQILJQ-INIZCTEOSA-N -1 3 342.395 2.837 20 10 EFCDHM O=C([O-])c1ccc(CN2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001231453699 1312501306 /nfs/dbraw/zinc/50/13/06/1312501306.db2.gz OWCJGVPQESHVGE-UHFFFAOYSA-N -1 3 330.359 2.552 20 10 EFCDHM Cc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453576 1312501598 /nfs/dbraw/zinc/50/15/98/1312501598.db2.gz MMOSBBHONIDMRZ-INIZCTEOSA-N -1 3 342.395 2.837 20 10 EFCDHM Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453576 1312501600 /nfs/dbraw/zinc/50/16/00/1312501600.db2.gz MMOSBBHONIDMRZ-INIZCTEOSA-N -1 3 342.395 2.837 20 10 EFCDHM COc1ccc(CC[N@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])cc1OC ZINC001231559967 1312525166 /nfs/dbraw/zinc/52/51/66/1312525166.db2.gz LPPYJYCIYOYJSZ-UHFFFAOYSA-N -1 3 345.395 2.782 20 10 EFCDHM COc1ccc(CC[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])cc1OC ZINC001231559967 1312525170 /nfs/dbraw/zinc/52/51/70/1312525170.db2.gz LPPYJYCIYOYJSZ-UHFFFAOYSA-N -1 3 345.395 2.782 20 10 EFCDHM Cc1cccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)c1 ZINC001231561921 1312525790 /nfs/dbraw/zinc/52/57/90/1312525790.db2.gz XPOUTFGEDUDMSR-UHFFFAOYSA-N -1 3 326.396 2.721 20 10 EFCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC001231561484 1312525847 /nfs/dbraw/zinc/52/58/47/1312525847.db2.gz VHXDVMZRDPTHBY-UHFFFAOYSA-N -1 3 330.359 2.552 20 10 EFCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3cccc(F)c3)CC2)c1 ZINC001231565829 1312526266 /nfs/dbraw/zinc/52/62/66/1312526266.db2.gz DFFGUPBZMNUDCL-UHFFFAOYSA-N -1 3 330.359 2.552 20 10 EFCDHM C[C@@](O)(C1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1)C(F)(F)F ZINC001231565535 1312526414 /nfs/dbraw/zinc/52/64/14/1312526414.db2.gz DUBOTNMPYKNKKP-OAHLLOKOSA-N -1 3 347.333 2.616 20 10 EFCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC(Cc3ccncc3)CC2)c1 ZINC001231566172 1312526512 /nfs/dbraw/zinc/52/65/12/1312526512.db2.gz SPICQPGSARTZRU-UHFFFAOYSA-N -1 3 326.396 2.940 20 10 EFCDHM CCOC(=O)c1ncn2c1CN(Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001231867510 1312578192 /nfs/dbraw/zinc/57/81/92/1312578192.db2.gz LRASQAPDLIZVEJ-UHFFFAOYSA-N -1 3 349.818 2.743 20 10 EFCDHM CCOC(=O)c1c2c(nn1C)CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231872281 1312578239 /nfs/dbraw/zinc/57/82/39/1312578239.db2.gz YFPGUIPWKXRCOO-UHFFFAOYSA-N -1 3 349.818 2.780 20 10 EFCDHM CCOC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCS1 ZINC001231870417 1312578656 /nfs/dbraw/zinc/57/86/56/1312578656.db2.gz ZHDVRPNAFBQILX-CQSZACIVSA-N -1 3 329.849 2.835 20 10 EFCDHM COC(=O)CN(Cc1ccccc1)Cc1cc(Cl)c([O-])cc1O ZINC001232262836 1312661008 /nfs/dbraw/zinc/66/10/08/1312661008.db2.gz SHIUULKKRIFBNB-UHFFFAOYSA-N -1 3 335.787 2.926 20 10 EFCDHM COc1cc([O-])c(CN2CCN(Cc3cccnc3)CC2)cc1Cl ZINC001232266528 1312662195 /nfs/dbraw/zinc/66/21/95/1312662195.db2.gz VRMQSHQHZCOOAP-UHFFFAOYSA-N -1 3 347.846 2.767 20 10 EFCDHM COc1cc([O-])c(CN2CCN(c3nccs3)CC2)cc1Cl ZINC001232264018 1312662287 /nfs/dbraw/zinc/66/22/87/1312662287.db2.gz CECMTCJZWDHVNY-UHFFFAOYSA-N -1 3 339.848 2.833 20 10 EFCDHM COc1cc([O-])c(CN2CCn3c(nnc3C(C)C)C2)cc1Cl ZINC001232269776 1312662969 /nfs/dbraw/zinc/66/29/69/1312662969.db2.gz KNYBOZMAEMFXFH-UHFFFAOYSA-N -1 3 336.823 2.785 20 10 EFCDHM COc1cc(F)c(-c2noc(-c3cccc(O)c3[O-])n2)cc1OC ZINC001215145812 1314788674 /nfs/dbraw/zinc/78/86/74/1314788674.db2.gz KMCHFHFDLUHYPC-UHFFFAOYSA-N -1 3 332.287 2.971 20 10 EFCDHM CCOc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)ccc1OC ZINC001215325367 1314815810 /nfs/dbraw/zinc/81/58/10/1314815810.db2.gz ORHVCBPOGDTHJX-UHFFFAOYSA-N -1 3 344.323 2.928 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3cccc(-n4cccn4)c3)no2)cc1O ZINC001215327627 1314816278 /nfs/dbraw/zinc/81/62/78/1314816278.db2.gz LGWHXZOIHSDWLV-UHFFFAOYSA-N -1 3 336.307 2.706 20 10 EFCDHM [O-]c1c(O)cc(-c2nc(-c3cccc(-c4ccccn4)n3)no2)cc1O ZINC001215328712 1314817058 /nfs/dbraw/zinc/81/70/58/1314817058.db2.gz OCWFTUAXZCUDCI-UHFFFAOYSA-N -1 3 348.318 2.977 20 10 EFCDHM O=C1CCc2c1c(-c1noc(-c3cc(O)c([O-])c(O)c3)n1)ccc2F ZINC001215328563 1314817282 /nfs/dbraw/zinc/81/72/82/1314817282.db2.gz KWYMASAKQDDSDH-UHFFFAOYSA-N -1 3 342.282 2.788 20 10 EFCDHM CC(C)(C)c1cc([O-])c(CN2CCN(C3COC3)CC2)cc1Cl ZINC001248881510 1314991786 /nfs/dbraw/zinc/99/17/86/1314991786.db2.gz YFGNCINVMURTAU-UHFFFAOYSA-N -1 3 338.879 2.860 20 10 EFCDHM CCN1C(=O)CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1=O ZINC001248881521 1314992284 /nfs/dbraw/zinc/99/22/84/1314992284.db2.gz YOVIPHQIGHYAIE-UHFFFAOYSA-N -1 3 338.835 2.534 20 10 EFCDHM Cc1cc(CN2CCCC(=O)[C@@H](F)C2)c([O-])cc1Br ZINC001250120862 1315175426 /nfs/dbraw/zinc/17/54/26/1315175426.db2.gz SFPHDNLQHHUNGB-LBPRGKRZSA-N -1 3 330.197 2.966 20 10 EFCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC3CCC(O)CC3)cccc21 ZINC001218364736 1315184375 /nfs/dbraw/zinc/18/43/75/1315184375.db2.gz LRIQUMSAARDNSK-UHFFFAOYSA-N -1 3 338.359 2.850 20 10 EFCDHM COc1cc([O-])c(CN2CC3(CN(Cc4ccc[nH]4)C3)C2)c(Cl)c1 ZINC001276806033 1315322949 /nfs/dbraw/zinc/32/29/49/1315322949.db2.gz RREDIVSLDWWWOS-UHFFFAOYSA-N -1 3 347.846 2.700 20 10 EFCDHM COc1ccc([N-]S(C)(=O)=O)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001252706796 1315491639 /nfs/dbraw/zinc/49/16/39/1315491639.db2.gz DJSNDBAYXLCZTO-UHFFFAOYSA-N -1 3 339.800 2.951 20 10 EFCDHM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1c(Cl)cccc1Cl ZINC001257780003 1316092275 /nfs/dbraw/zinc/09/22/75/1316092275.db2.gz DQRJFBDLENGIOM-UHFFFAOYSA-N -1 3 348.207 2.883 20 10 EFCDHM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1 ZINC001259423389 1316241285 /nfs/dbraw/zinc/24/12/85/1316241285.db2.gz XQIAYNOISZPHFQ-UHFFFAOYSA-N -1 3 343.307 2.818 20 10 EFCDHM CC(C)CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001259878102 1316291470 /nfs/dbraw/zinc/29/14/70/1316291470.db2.gz AGZKVJZJWDSVRL-UHFFFAOYSA-N -1 3 343.404 2.860 20 10 EFCDHM CO[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000733329387 1321807463 /nfs/dbraw/zinc/80/74/63/1321807463.db2.gz SCIWIGABKQOJRK-SECBINFHSA-N -1 3 328.674 2.621 20 10 EFCDHM COCC[N@H+](CCC(=O)[O-])Cc1cc(-c2ccccc2)ccc1[O-] ZINC000904269637 1324871583 /nfs/dbraw/zinc/87/15/83/1324871583.db2.gz OCFAVZGGAWKINJ-UHFFFAOYSA-N -1 3 329.396 2.982 20 10 EFCDHM COCC[N@@H+](CCC(=O)[O-])Cc1cc(-c2ccccc2)ccc1[O-] ZINC000904269637 1324871590 /nfs/dbraw/zinc/87/15/90/1324871590.db2.gz OCFAVZGGAWKINJ-UHFFFAOYSA-N -1 3 329.396 2.982 20 10 EFCDHM Cc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)c([O-])c1O ZINC001325092456 1329670247 /nfs/dbraw/zinc/67/02/47/1329670247.db2.gz YWDMUUOHGQLHIK-UHFFFAOYSA-N -1 3 328.353 2.572 20 10 EFCDHM O=C([O-])CCCN1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001353951770 1334118910 /nfs/dbraw/zinc/11/89/10/1334118910.db2.gz AYMDHHQQWKZNKE-UHFFFAOYSA-N -1 3 344.814 2.604 20 10 EFCDHM O=C([O-])CCC[NH+]1CCC(NCc2c([O-])ccc(Cl)c2F)CC1 ZINC001353951770 1334118913 /nfs/dbraw/zinc/11/89/13/1334118913.db2.gz AYMDHHQQWKZNKE-UHFFFAOYSA-N -1 3 344.814 2.604 20 10 EFCDHM COc1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000826202167 1426076148 /nfs/dbraw/zinc/07/61/48/1426076148.db2.gz QIFIDSTWHNKTEV-UHFFFAOYSA-N -1 3 335.411 2.963 20 10 EFCDHM COc1ccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000826202167 1426076162 /nfs/dbraw/zinc/07/61/62/1426076162.db2.gz QIFIDSTWHNKTEV-UHFFFAOYSA-N -1 3 335.411 2.963 20 10 EFCDHM CN(CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCSC1 ZINC000807840354 713513253 /nfs/dbraw/zinc/51/32/53/713513253.db2.gz ZZVUSJMVEQNGNT-NSHDSACASA-N -1 3 349.283 2.753 20 10 EFCDHM O=c1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc[n-]1 ZINC000892268970 715623023 /nfs/dbraw/zinc/62/30/23/715623023.db2.gz IMBLUTWPPCGXPK-UHFFFAOYSA-N -1 3 336.342 2.865 20 10 EFCDHM COCCOC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093339562 715859713 /nfs/dbraw/zinc/85/97/13/715859713.db2.gz AUQRVSXFQXQNSA-UHFFFAOYSA-N -1 3 344.249 2.782 20 10 EFCDHM CC(=O)c1cc(F)cc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1[O-] ZINC000161501441 715965071 /nfs/dbraw/zinc/96/50/71/715965071.db2.gz YIPKTVNKMVDKCR-OAHLLOKOSA-N -1 3 349.324 2.869 20 10 EFCDHM Cc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)c([O-])c1O ZINC000179399225 717453816 /nfs/dbraw/zinc/45/38/16/717453816.db2.gz AYWGAGHWZGZHIR-UHFFFAOYSA-N -1 3 326.352 2.785 20 10 EFCDHM CCOC(=O)N(C)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893995550 720202084 /nfs/dbraw/zinc/20/20/84/720202084.db2.gz NLZDMNPDICFEDG-UHFFFAOYSA-N -1 3 328.359 2.723 20 10 EFCDHM C[C@H](O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894423840 722732744 /nfs/dbraw/zinc/73/27/44/722732744.db2.gz VNGRRGRBCSBUDM-UWVGGRQHSA-N -1 3 332.213 2.887 20 10 EFCDHM C[C@@H](O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894423839 722732637 /nfs/dbraw/zinc/73/26/37/722732637.db2.gz VNGRRGRBCSBUDM-NXEZZACHSA-N -1 3 332.213 2.887 20 10 EFCDHM CCN(CC(=O)N1CCCCCC1)Cc1cc(F)cc(F)c1[O-] ZINC000894754845 722837027 /nfs/dbraw/zinc/83/70/27/722837027.db2.gz JAXIJRKYTKZSOO-UHFFFAOYSA-N -1 3 326.387 2.895 20 10 EFCDHM CN(CCn1cc(Br)cn1)Cc1cc(F)cc(F)c1[O-] ZINC000894788272 722848286 /nfs/dbraw/zinc/84/82/86/722848286.db2.gz XTCIOTWFPMLQOG-UHFFFAOYSA-N -1 3 346.175 2.761 20 10 EFCDHM COC(=O)[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1C ZINC000895067478 723162446 /nfs/dbraw/zinc/16/24/46/723162446.db2.gz UROSBMQPSHZJAS-LDYMZIIASA-N -1 3 346.196 2.535 20 10 EFCDHM O=C1NCCC2(CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)O1 ZINC000897014111 723945094 /nfs/dbraw/zinc/94/50/94/723945094.db2.gz UIVBSUOXLSEPKE-UHFFFAOYSA-N -1 3 328.771 2.649 20 10 EFCDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@]1(C)CO ZINC000895345477 724053934 /nfs/dbraw/zinc/05/39/34/724053934.db2.gz USLSGUXCMNQBML-YMTOWFKASA-N -1 3 332.213 2.744 20 10 EFCDHM CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895861879 724345364 /nfs/dbraw/zinc/34/53/64/724345364.db2.gz CYSZOYMDADDHOB-UKRRQHHQSA-N -1 3 341.835 2.944 20 10 EFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000912098995 727660034 /nfs/dbraw/zinc/66/00/34/727660034.db2.gz KAMHCVKDKFLXLL-DOTOQJQBSA-N -1 3 327.380 2.826 20 10 EFCDHM CCCC[C@@H](CC)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055192498 727911970 /nfs/dbraw/zinc/91/19/70/727911970.db2.gz RINXVHNINFLXNS-GFCCVEGCSA-N -1 3 342.461 2.710 20 10 EFCDHM C[C@H]1CS(=O)(=O)CCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000172610597 728599655 /nfs/dbraw/zinc/59/96/55/728599655.db2.gz MNHMBECMUZNSGX-LBPRGKRZSA-N -1 3 349.452 2.636 20 10 EFCDHM Cc1ccc(C(=O)Nc2cnn(-c3ccccc3F)c2)c([O-])c1O ZINC000179542590 729587720 /nfs/dbraw/zinc/58/77/20/729587720.db2.gz CFDKLOYGFOTPEA-UHFFFAOYSA-N -1 3 327.315 2.983 20 10 EFCDHM