smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001594048936 957959591 /nfs/dbraw/zinc/95/95/91/957959591.db2.gz YSKRRPLGVKCHJD-LBPRGKRZSA-N -1 1 338.360 2.528 20 10 EFCDMM Cc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1Cl ZINC001594327443 958186702 /nfs/dbraw/zinc/18/67/02/958186702.db2.gz YVKNAPLCFVIXHU-UIORMTCPSA-N -1 1 339.819 2.856 20 10 EFCDMM CC(C)C[C@H](C[NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864514283 969330091 /nfs/dbraw/zinc/33/00/91/969330091.db2.gz RQDOLTDSLUKULM-SNVBAGLBSA-N -1 1 330.222 2.991 20 10 EFCDMM O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000706636754 977357171 /nfs/dbraw/zinc/35/71/71/977357171.db2.gz BMXRBWUSGGVBNA-GFCCVEGCSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@H]1CCCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000706636754 977357176 /nfs/dbraw/zinc/35/71/76/977357176.db2.gz BMXRBWUSGGVBNA-GFCCVEGCSA-N -1 1 328.206 2.984 20 10 EFCDMM C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715758610 977781157 /nfs/dbraw/zinc/78/11/57/977781157.db2.gz DDQLUTVQWJVSSP-XVKPBYJWSA-N -1 1 332.169 2.589 20 10 EFCDMM C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715758592 977781590 /nfs/dbraw/zinc/78/15/90/977781590.db2.gz DDQLUTVQWJVSSP-GMSGAONNSA-N -1 1 332.169 2.589 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC001589268259 985953535 /nfs/dbraw/zinc/95/35/35/985953535.db2.gz PXUITMRXFKBDCD-INIZCTEOSA-N -1 1 325.792 2.935 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC001589268259 985953540 /nfs/dbraw/zinc/95/35/40/985953540.db2.gz PXUITMRXFKBDCD-INIZCTEOSA-N -1 1 325.792 2.935 20 10 EFCDMM CN(C)c1ccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)cc1F ZINC001598320767 991319804 /nfs/dbraw/zinc/31/98/04/991319804.db2.gz RLWGNNVLJPGMRN-UHFFFAOYSA-N -1 1 337.782 2.928 20 10 EFCDMM C[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(N2CCOCC2)cc1 ZINC001593289367 994662732 /nfs/dbraw/zinc/66/27/32/994662732.db2.gz RCUPPLOBHIBGMD-ZDUSSCGKSA-N -1 1 330.384 2.665 20 10 EFCDMM C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1OCC(=O)[O-] ZINC001593304867 994755815 /nfs/dbraw/zinc/75/58/15/994755815.db2.gz UCFMSCXYJDAYDG-CYBMUJFWSA-N -1 1 327.380 2.936 20 10 EFCDMM C[C@@]1(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCCCO1 ZINC001594010066 997441870 /nfs/dbraw/zinc/44/18/70/997441870.db2.gz IURQOFFJPYOCQB-INIZCTEOSA-N -1 1 327.808 2.891 20 10 EFCDMM C[C@@]1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCCCO1 ZINC001594010066 997441875 /nfs/dbraw/zinc/44/18/75/997441875.db2.gz IURQOFFJPYOCQB-INIZCTEOSA-N -1 1 327.808 2.891 20 10 EFCDMM COc1cc(Cl)cc(CNCc2cc(C)c(C(=O)[O-])o2)c1O ZINC001599420425 997584584 /nfs/dbraw/zinc/58/45/84/997584584.db2.gz HPMWKJBXIFJKCF-UHFFFAOYSA-N -1 1 325.748 2.944 20 10 EFCDMM COc1ccc(N(Cc2nc(-c3nnn[n-]3)cs2)CC(C)C)cc1 ZINC001591607396 1093793593 /nfs/dbraw/zinc/79/35/93/1093793593.db2.gz BHALPLPTSKKJCI-UHFFFAOYSA-N -1 1 344.444 2.994 20 10 EFCDMM COc1ccc(N(Cc2nc(-c3nn[n-]n3)cs2)CC(C)C)cc1 ZINC001591607396 1093793600 /nfs/dbraw/zinc/79/36/00/1093793600.db2.gz BHALPLPTSKKJCI-UHFFFAOYSA-N -1 1 344.444 2.994 20 10 EFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc(-c2nn[nH]n2)c1 ZINC001593144292 1094230058 /nfs/dbraw/zinc/23/00/58/1094230058.db2.gz ANTAKQBSANKHDL-UHFFFAOYSA-N -1 1 344.762 2.547 20 10 EFCDMM Cc1c(F)nccc1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001600010437 1094718200 /nfs/dbraw/zinc/71/82/00/1094718200.db2.gz JDUFIRWJRNXBTM-UHFFFAOYSA-N -1 1 338.766 2.975 20 10 EFCDMM Cc1c(F)nccc1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001600010437 1094718211 /nfs/dbraw/zinc/71/82/11/1094718211.db2.gz JDUFIRWJRNXBTM-UHFFFAOYSA-N -1 1 338.766 2.975 20 10 EFCDMM Cc1cc([O-])c(C[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c(Cl)c1 ZINC001600286796 1094945426 /nfs/dbraw/zinc/94/54/26/1094945426.db2.gz WBCVGEDLCQWOTJ-LBPRGKRZSA-N -1 1 327.808 2.810 20 10 EFCDMM Cc1cc([O-])c(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c(Cl)c1 ZINC001600286796 1094945439 /nfs/dbraw/zinc/94/54/39/1094945439.db2.gz WBCVGEDLCQWOTJ-LBPRGKRZSA-N -1 1 327.808 2.810 20 10 EFCDMM Cc1cc([O-])c(C[NH2+][C@@H](CC2CCOCC2)C(=O)[O-])cc1Cl ZINC001600285700 1094946473 /nfs/dbraw/zinc/94/64/73/1094946473.db2.gz GGCISGKPRUSBAU-AWEZNQCLSA-N -1 1 327.808 2.714 20 10 EFCDMM O=C([O-])c1cccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC001602436700 1096244663 /nfs/dbraw/zinc/24/46/63/1096244663.db2.gz IQJGCKZALRQCSX-MRXNPFEDSA-N -1 1 342.395 2.667 20 10 EFCDMM C(=Cc1cnc(-c2nnn[n-]2)cn1)c1ccc(N2CCCCC2)cc1 ZINC001602745479 1096361459 /nfs/dbraw/zinc/36/14/59/1096361459.db2.gz HIUQVCINNTZNOV-QPJJXVBHSA-N -1 1 333.399 2.817 20 10 EFCDMM C(=Cc1cnc(-c2nn[n-]n2)cn1)c1ccc(N2CCCCC2)cc1 ZINC001602745479 1096361465 /nfs/dbraw/zinc/36/14/65/1096361465.db2.gz HIUQVCINNTZNOV-QPJJXVBHSA-N -1 1 333.399 2.817 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CC(=O)[O-])c2ccncc2)c1[O-] ZINC001603102937 1096442581 /nfs/dbraw/zinc/44/25/81/1096442581.db2.gz FKJIOLPELPXZNE-SFHVURJKSA-N -1 1 346.358 2.609 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CC(=O)[O-])c2cccnc2)c1[O-] ZINC001603103869 1096442634 /nfs/dbraw/zinc/44/26/34/1096442634.db2.gz XLVHFSYGUIBUSJ-SFHVURJKSA-N -1 1 346.358 2.609 20 10 EFCDMM CC(C)Cn1cc(N[C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])cn1 ZINC001603313521 1096502983 /nfs/dbraw/zinc/50/29/83/1096502983.db2.gz PENMINBYJZCZBV-NSHDSACASA-N -1 1 327.392 2.598 20 10 EFCDMM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC001604496278 1096880769 /nfs/dbraw/zinc/88/07/69/1096880769.db2.gz IVNSBMDELOBNNZ-AWEZNQCLSA-N -1 1 328.206 2.841 20 10 EFCDMM COc1ccc2c(c1)CCCN2Cc1csc(-c2nn[n-]n2)c1 ZINC001605308800 1097089866 /nfs/dbraw/zinc/08/98/66/1097089866.db2.gz LQKPGHNZXVDNMK-UHFFFAOYSA-N -1 1 327.413 2.890 20 10 EFCDMM CCOCCC[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](C)C(=O)[O-] ZINC001605632107 1097174402 /nfs/dbraw/zinc/17/44/02/1097174402.db2.gz DUBCBVNDVHAMLS-GFCCVEGCSA-N -1 1 329.824 2.995 20 10 EFCDMM Cc1cc(CNc2cc(-c3nnn[n-]3)ncn2)c(C)n1-c1ccccc1 ZINC001605661776 1097183817 /nfs/dbraw/zinc/18/38/17/1097183817.db2.gz LHQBJBUCIUTKLW-UHFFFAOYSA-N -1 1 346.398 2.676 20 10 EFCDMM Cc1cc(CNc2cc(-c3nn[n-]n3)ncn2)c(C)n1-c1ccccc1 ZINC001605661776 1097183820 /nfs/dbraw/zinc/18/38/20/1097183820.db2.gz LHQBJBUCIUTKLW-UHFFFAOYSA-N -1 1 346.398 2.676 20 10 EFCDMM CN(C)c1ccc(C[N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001606054545 1097307643 /nfs/dbraw/zinc/30/76/43/1097307643.db2.gz ZZVDJHHRVZYZLI-UHFFFAOYSA-N -1 1 326.396 2.845 20 10 EFCDMM CN(C)c1ccc(CN2CCOc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001606054545 1097307648 /nfs/dbraw/zinc/30/76/48/1097307648.db2.gz ZZVDJHHRVZYZLI-UHFFFAOYSA-N -1 1 326.396 2.845 20 10 EFCDMM C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001606147892 1097328265 /nfs/dbraw/zinc/32/82/65/1097328265.db2.gz WMANIXSEXYDEAG-CYBMUJFWSA-N -1 1 331.771 2.639 20 10 EFCDMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC001607924767 1097779190 /nfs/dbraw/zinc/77/91/90/1097779190.db2.gz FDYWQKLZVPMZQA-LLVKDONJSA-N -1 1 348.424 2.919 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001608746804 1098008540 /nfs/dbraw/zinc/00/85/40/1098008540.db2.gz MVWNGUMGPIFQJB-PJODQICGSA-N -1 1 339.819 2.890 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001608746804 1098008545 /nfs/dbraw/zinc/00/85/45/1098008545.db2.gz MVWNGUMGPIFQJB-PJODQICGSA-N -1 1 339.819 2.890 20 10 EFCDMM O=C([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001608773362 1098017133 /nfs/dbraw/zinc/01/71/33/1098017133.db2.gz HJGKYQLWCXVDAG-SKDRFNHKSA-N -1 1 328.206 2.888 20 10 EFCDMM O=C([O-])c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC001608874677 1098053168 /nfs/dbraw/zinc/05/31/68/1098053168.db2.gz VNXYHBBNVKDUOS-UHFFFAOYSA-N -1 1 330.123 2.920 20 10 EFCDMM CCc1cc(O)ccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001610060240 1098534470 /nfs/dbraw/zinc/53/44/70/1098534470.db2.gz OEQOTCWVHASUNZ-UHFFFAOYSA-N -1 1 339.369 2.663 20 10 EFCDMM CCCCn1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1CC ZINC000784970257 1102347531 /nfs/dbraw/zinc/34/75/31/1102347531.db2.gz WDQAHKSAPMMAMB-UHFFFAOYSA-N -1 1 346.383 2.697 20 10 EFCDMM CN(c1cccc(Cl)c1[O-])S(=O)(=O)CCc1ccc(N)cc1 ZINC001210222083 1102409081 /nfs/dbraw/zinc/40/90/81/1102409081.db2.gz MYTBHYUTDMMJEE-UHFFFAOYSA-N -1 1 340.832 2.637 20 10 EFCDMM CS[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783765096 1104224652 /nfs/dbraw/zinc/22/46/52/1104224652.db2.gz OPJVPBOVLRAVHR-INIZCTEOSA-N -1 1 332.377 2.928 20 10 EFCDMM CC(C)(C)OC(=O)N1CC2(CN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001142509065 1106040980 /nfs/dbraw/zinc/04/09/80/1106040980.db2.gz WCCQYUNHWABOKK-UHFFFAOYSA-N -1 1 340.370 2.723 20 10 EFCDMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784313638 1108145999 /nfs/dbraw/zinc/14/59/99/1108145999.db2.gz NQBBYORLGVCWGC-VXGBXAGGSA-N -1 1 332.377 2.997 20 10 EFCDMM CN(C)c1nc(C(F)(F)F)ccc1C=C1SC(=S)[N-]C1=O ZINC000899335352 1109288812 /nfs/dbraw/zinc/28/88/12/1109288812.db2.gz APTMUAKLZHSYLX-FNORWQNLSA-N -1 1 333.360 2.655 20 10 EFCDMM O=c1[nH]cc2[nH]cc(NCc3cc(Cl)c4cccnc4c3[O-])cc1-2 ZINC001168525848 1112977022 /nfs/dbraw/zinc/97/70/22/1112977022.db2.gz MRZIESIJNBUMCE-UHFFFAOYSA-N -1 1 340.770 2.844 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](COc2ccccc2)C1 ZINC000296877368 241100313 /nfs/dbraw/zinc/10/03/13/241100313.db2.gz WQKLJJWDPSEGRM-GFCCVEGCSA-N -1 1 331.343 2.778 20 10 EFCDMM COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294702944 241049138 /nfs/dbraw/zinc/04/91/38/241049138.db2.gz DCCOADWGSLRPFV-ZDUSSCGKSA-N -1 1 342.823 2.717 20 10 EFCDMM Cc1ccccc1N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000294704836 241049901 /nfs/dbraw/zinc/04/99/01/241049901.db2.gz FHBZWXALKDRUIY-UHFFFAOYSA-N -1 1 330.359 2.508 20 10 EFCDMM C[C@H]1CN(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cn2)CCO1 ZINC000113322523 544569134 /nfs/dbraw/zinc/56/91/34/544569134.db2.gz LFHZOSCMCNAWAX-ZDUSSCGKSA-N -1 1 347.846 2.956 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000280605044 278244049 /nfs/dbraw/zinc/24/40/49/278244049.db2.gz VMROYPUFVKEWLT-DIFFPNOSSA-N -1 1 339.819 2.628 20 10 EFCDMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cccc2nsnc21 ZINC000019107847 471977139 /nfs/dbraw/zinc/97/71/39/471977139.db2.gz KCEMEOXNUVAWBF-UHFFFAOYSA-N -1 1 345.327 2.909 20 10 EFCDMM CCOC(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000158081407 472890299 /nfs/dbraw/zinc/89/02/99/472890299.db2.gz GXPNLRJCSAUTCT-UHFFFAOYSA-N -1 1 342.779 2.729 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC3(CCOCC3)C2)c1[O-] ZINC000135613095 473100796 /nfs/dbraw/zinc/10/07/96/473100796.db2.gz JRBFYGQGLUNMEJ-UHFFFAOYSA-N -1 1 339.819 2.630 20 10 EFCDMM O=C(CSc1nnc(N2CCCC2)s1)c1ccc([O-])c(O)c1 ZINC000052911633 473162253 /nfs/dbraw/zinc/16/22/53/473162253.db2.gz DISBEGGHLRHGNJ-UHFFFAOYSA-N -1 1 337.426 2.525 20 10 EFCDMM O=C(NCc1ccco1)[C@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000179671692 473704800 /nfs/dbraw/zinc/70/48/00/473704800.db2.gz XRCWWFLEYWNBED-OAHLLOKOSA-N -1 1 334.803 2.919 20 10 EFCDMM C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000281438709 473721675 /nfs/dbraw/zinc/72/16/75/473721675.db2.gz BSZZYYRZBFKWGV-ZJUUUORDSA-N -1 1 340.217 2.776 20 10 EFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000288709500 474028428 /nfs/dbraw/zinc/02/84/28/474028428.db2.gz XPQSCOAKDAVFRF-ZCFIWIBFSA-N -1 1 341.127 2.905 20 10 EFCDMM CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C[C@H](O)C(F)(F)F ZINC000189870883 474497396 /nfs/dbraw/zinc/49/73/96/474497396.db2.gz WMEKWGROCASXDI-NSHDSACASA-N -1 1 327.730 2.799 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CSCCS1 ZINC000277440905 474586185 /nfs/dbraw/zinc/58/61/85/474586185.db2.gz FJTLYAIKHMWEBO-JTQLQIEISA-N -1 1 348.287 2.620 20 10 EFCDMM CC(C)(CO)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000276511554 474565550 /nfs/dbraw/zinc/56/55/50/474565550.db2.gz BHTBAINDYYIWGM-ZDUSSCGKSA-N -1 1 347.386 2.769 20 10 EFCDMM CCC(CC)[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000276642379 474567301 /nfs/dbraw/zinc/56/73/01/474567301.db2.gz VBQRGXQBFKXZNR-SMDDNHRTSA-N -1 1 325.380 2.951 20 10 EFCDMM O=C1CCCN1[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000276729600 474569441 /nfs/dbraw/zinc/56/94/41/474569441.db2.gz BINCIICXVFPMOM-LBPRGKRZSA-N -1 1 329.227 2.896 20 10 EFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000276799213 474570934 /nfs/dbraw/zinc/57/09/34/474570934.db2.gz DMDGFZBHBVYFDL-LLVKDONJSA-N -1 1 349.408 2.915 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC1CC(F)(F)C1 ZINC000277414545 474583975 /nfs/dbraw/zinc/58/39/75/474583975.db2.gz KTDWXVWKKVEMDJ-UHFFFAOYSA-N -1 1 335.148 2.752 20 10 EFCDMM CC[C@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277475160 474587844 /nfs/dbraw/zinc/58/78/44/474587844.db2.gz KWTAMBFXDVGAJX-VIFPVBQESA-N -1 1 336.251 2.620 20 10 EFCDMM CC(C)OCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277637391 474591411 /nfs/dbraw/zinc/59/14/11/474591411.db2.gz CJLCBDLVOCWWGH-UHFFFAOYSA-N -1 1 345.237 2.769 20 10 EFCDMM C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277659676 474591958 /nfs/dbraw/zinc/59/19/58/474591958.db2.gz ZUTNKHMHACVILJ-BXKDBHETSA-N -1 1 340.217 2.776 20 10 EFCDMM O=C(CC[C@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000277651635 474592102 /nfs/dbraw/zinc/59/21/02/474592102.db2.gz ZAFBFXAVDJBSAG-JTQLQIEISA-N -1 1 328.206 2.588 20 10 EFCDMM CC[C@H]1CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000277658128 474592357 /nfs/dbraw/zinc/59/23/57/474592357.db2.gz ZOZDIVGKUYAZOA-JQWIXIFHSA-N -1 1 328.206 2.729 20 10 EFCDMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277659682 474592651 /nfs/dbraw/zinc/59/26/51/474592651.db2.gz ZUTNKHMHACVILJ-SKDRFNHKSA-N -1 1 340.217 2.776 20 10 EFCDMM CCc1cnc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])s1 ZINC000278200138 474603118 /nfs/dbraw/zinc/60/31/18/474603118.db2.gz IVEBMTSEYOZXGF-UHFFFAOYSA-N -1 1 337.401 2.960 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NCC(F)(F)F ZINC000278290947 474606521 /nfs/dbraw/zinc/60/65/21/474606521.db2.gz GXWZFOFDXSJXCG-UHFFFAOYSA-N -1 1 327.100 2.516 20 10 EFCDMM O=C(NC1CC1)N[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000273786468 475056209 /nfs/dbraw/zinc/05/62/09/475056209.db2.gz UJQAQFBHUZMSQV-GFCCVEGCSA-N -1 1 344.242 2.735 20 10 EFCDMM COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000273807401 475060773 /nfs/dbraw/zinc/06/07/73/475060773.db2.gz YDAOMAUALXTNGV-LBPRGKRZSA-N -1 1 345.848 2.535 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCN(c2ccccc2)CC1 ZINC000294765962 475081904 /nfs/dbraw/zinc/08/19/04/475081904.db2.gz FLPAFGLWGSBBSA-UHFFFAOYSA-N -1 1 330.359 2.589 20 10 EFCDMM CCN(CC)c1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000287347498 475106670 /nfs/dbraw/zinc/10/66/70/475106670.db2.gz XXXCGMMMWCWDQS-UHFFFAOYSA-N -1 1 326.396 2.738 20 10 EFCDMM CN(C[C@H]1OCCc2ccccc21)C(=O)c1c(F)ccc(O)c1[O-] ZINC000295406097 475123849 /nfs/dbraw/zinc/12/38/49/475123849.db2.gz ZZXLJRPLBSRLCQ-OAHLLOKOSA-N -1 1 331.343 2.623 20 10 EFCDMM COC(CCCC(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-])OC ZINC000295728591 475132597 /nfs/dbraw/zinc/13/25/97/475132597.db2.gz LRZVSMQGUSJGPB-UHFFFAOYSA-N -1 1 343.395 2.782 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])OC[C@@H]1CCCO1 ZINC000287444108 475149480 /nfs/dbraw/zinc/14/94/80/475149480.db2.gz QRDZAHNFRQQXTQ-JTQLQIEISA-N -1 1 330.178 2.560 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])OC[C@H]1CCCO1 ZINC000287444111 475150182 /nfs/dbraw/zinc/15/01/82/475150182.db2.gz QRDZAHNFRQQXTQ-SNVBAGLBSA-N -1 1 330.178 2.560 20 10 EFCDMM O=C(Cc1ccco1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000371214998 477181179 /nfs/dbraw/zinc/18/11/79/477181179.db2.gz HNYLUAZHPLJZBJ-HNNXBMFYSA-N -1 1 348.830 2.962 20 10 EFCDMM Cc1cc([N-]S(=O)(=O)c2cccc3nsnc32)cc2[nH]ncc21 ZINC000535747145 478226062 /nfs/dbraw/zinc/22/60/62/478226062.db2.gz PIORPEOFDCPLLR-UHFFFAOYSA-N -1 1 345.409 2.677 20 10 EFCDMM C[C@]1(CO)CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)CO ZINC000529668683 479242663 /nfs/dbraw/zinc/24/26/63/479242663.db2.gz MRIRDQJXKBXAJG-GASCZTMLSA-N -1 1 334.243 2.512 20 10 EFCDMM COc1c([O-])c(CN2CC(C)(C)[C@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000294694439 536861281 /nfs/dbraw/zinc/86/12/81/536861281.db2.gz CMGGJJIGAXETKZ-OAHLLOKOSA-N -1 1 346.387 2.626 20 10 EFCDMM COc1c([O-])c(CN2CCC[C@H]2c2cc(C)on2)ccc1[N+](=O)[O-] ZINC000364459615 536862418 /nfs/dbraw/zinc/86/24/18/536862418.db2.gz KGAIIOBLZGUHGO-ZDUSSCGKSA-N -1 1 333.344 2.943 20 10 EFCDMM C[C@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1nncn1C ZINC000756531760 575756289 /nfs/dbraw/zinc/75/62/89/575756289.db2.gz BZUOQCUWMDFWPL-YUMQZZPRSA-N -1 1 343.200 2.834 20 10 EFCDMM C[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1nncn1C ZINC000756531756 575756306 /nfs/dbraw/zinc/75/63/06/575756306.db2.gz BZUOQCUWMDFWPL-JGVFFNPUSA-N -1 1 343.200 2.834 20 10 EFCDMM C[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000756535706 575756638 /nfs/dbraw/zinc/75/66/38/575756638.db2.gz PWMXTLZYAUBSNV-JGVFFNPUSA-N -1 1 343.200 2.834 20 10 EFCDMM C[C@@H](Nc1cnn(CCO)c1)c1cc(Br)c(F)cc1[O-] ZINC000756857206 575793742 /nfs/dbraw/zinc/79/37/42/575793742.db2.gz SZLCXSDHPSIOKU-MRVPVSSYSA-N -1 1 344.184 2.656 20 10 EFCDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1C ZINC000758169697 575861722 /nfs/dbraw/zinc/86/17/22/575861722.db2.gz AUBBAVROODCAIF-UHFFFAOYSA-N -1 1 340.332 2.857 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccccc3F)no2)c1 ZINC000761435234 576159549 /nfs/dbraw/zinc/15/95/49/576159549.db2.gz DFWFMHXJDJWVQQ-UHFFFAOYSA-N -1 1 349.343 2.620 20 10 EFCDMM C[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCCO1 ZINC000764795877 576504582 /nfs/dbraw/zinc/50/45/82/576504582.db2.gz BXNRUDXRADPEML-CQSZACIVSA-N -1 1 343.221 2.523 20 10 EFCDMM CCc1nnc2ccc(NCc3cccc(Br)c3[O-])nn21 ZINC000764934249 576525913 /nfs/dbraw/zinc/52/59/13/576525913.db2.gz KNUCLFQJROXZFF-UHFFFAOYSA-N -1 1 348.204 2.767 20 10 EFCDMM Cc1nnc2ccc(NCc3cccc(Br)c3[O-])nn12 ZINC000764933485 576525946 /nfs/dbraw/zinc/52/59/46/576525946.db2.gz DJMPOGQBNARTKQ-UHFFFAOYSA-N -1 1 334.177 2.513 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ncc(F)cc1F ZINC000765726045 577070974 /nfs/dbraw/zinc/07/09/74/577070974.db2.gz DSJGJKVBNCDFLB-UHFFFAOYSA-N -1 1 343.127 2.758 20 10 EFCDMM Cc1ccc(C(=O)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765730576 577071116 /nfs/dbraw/zinc/07/11/16/577071116.db2.gz DFXQJKMKNHQPGC-UHFFFAOYSA-N -1 1 348.196 2.962 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1coc(C2CC2)n1 ZINC000765731116 577071169 /nfs/dbraw/zinc/07/11/69/577071169.db2.gz GRJQQSUZWTUNIF-UHFFFAOYSA-N -1 1 337.173 2.950 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1COc2ccccc21 ZINC000765750503 577072485 /nfs/dbraw/zinc/07/24/85/577072485.db2.gz HLNVBESQRKLNFS-GFCCVEGCSA-N -1 1 348.196 2.947 20 10 EFCDMM O=C(Cc1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765766766 577073955 /nfs/dbraw/zinc/07/39/55/577073955.db2.gz BKMBSDANXXWLQM-UHFFFAOYSA-N -1 1 336.185 2.719 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(Br)cc1[N+](=O)[O-] ZINC000767703221 577228846 /nfs/dbraw/zinc/22/88/46/577228846.db2.gz AJJWWRFLYZCPNG-FPYGCLRLSA-N -1 1 345.199 2.846 20 10 EFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(CCCCO)CC1 ZINC000769396369 577358779 /nfs/dbraw/zinc/35/87/79/577358779.db2.gz ZUWIMHGOVNONNV-UHFFFAOYSA-N -1 1 333.259 2.589 20 10 EFCDMM Cc1ccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000769715724 577380749 /nfs/dbraw/zinc/38/07/49/577380749.db2.gz WUNVOOKMVXNAKU-UHFFFAOYSA-N -1 1 348.424 2.657 20 10 EFCDMM COc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1F ZINC000769891974 577391877 /nfs/dbraw/zinc/39/18/77/577391877.db2.gz UJPCNCGCDAFNMR-UHFFFAOYSA-N -1 1 339.373 2.640 20 10 EFCDMM Cc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(O)c1O ZINC000727004316 577429032 /nfs/dbraw/zinc/42/90/32/577429032.db2.gz SHKOCTXQZQLKLP-UHFFFAOYSA-N -1 1 342.303 2.575 20 10 EFCDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000771220800 581189349 /nfs/dbraw/zinc/18/93/49/581189349.db2.gz ZOZCXEXRSRHTFF-UHFFFAOYSA-N -1 1 335.381 2.678 20 10 EFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000821515400 598151567 /nfs/dbraw/zinc/15/15/67/598151567.db2.gz HZYREQQILPHBOZ-VIFPVBQESA-N -1 1 328.752 2.641 20 10 EFCDMM O=C([O-])c1coc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000740268670 600313932 /nfs/dbraw/zinc/31/39/32/600313932.db2.gz JMURTGMZCGPFEN-HNNXBMFYSA-N -1 1 331.368 2.865 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+](CCc2ccccc2)CC(=O)[O-])c1[O-] ZINC000833401116 605245792 /nfs/dbraw/zinc/24/57/92/605245792.db2.gz QEHGVLHUSDPSBH-UHFFFAOYSA-N -1 1 345.370 2.863 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+](CCc2ccccc2)CC(=O)[O-])c1[O-] ZINC000833401116 605245794 /nfs/dbraw/zinc/24/57/94/605245794.db2.gz QEHGVLHUSDPSBH-UHFFFAOYSA-N -1 1 345.370 2.863 20 10 EFCDMM C[C@H]1C[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833594428 605478384 /nfs/dbraw/zinc/47/83/84/605478384.db2.gz CKNOQZMZSWSZII-NWDGAFQWSA-N -1 1 327.808 2.747 20 10 EFCDMM C[C@H]1C[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833594428 605478388 /nfs/dbraw/zinc/47/83/88/605478388.db2.gz CKNOQZMZSWSZII-NWDGAFQWSA-N -1 1 327.808 2.747 20 10 EFCDMM CC[C@H](NCc1nc(C(N)=O)cs1)c1cccc(Cl)c1[O-] ZINC000850539616 1250527790 /nfs/dbraw/zinc/52/77/90/1250527790.db2.gz FBZFBHGWEIJZHI-JTQLQIEISA-N -1 1 325.821 2.842 20 10 EFCDMM C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1O ZINC000710551859 1259828589 /nfs/dbraw/zinc/82/85/89/1259828589.db2.gz NBYDUNMNEVCKCX-MRVPVSSYSA-N -1 1 328.185 2.878 20 10 EFCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(F)F)cc1 ZINC000741841942 1269728777 /nfs/dbraw/zinc/72/87/77/1269728777.db2.gz CSJDTZXSKXLSOJ-XNTDXEJSSA-N -1 1 344.317 2.792 20 10 EFCDMM O=C(Cc1ncccc1F)NCc1cccc(Br)c1[O-] ZINC000792484947 1278806369 /nfs/dbraw/zinc/80/63/69/1278806369.db2.gz ZCIWCRBYPLANBD-UHFFFAOYSA-N -1 1 339.164 2.548 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000788301977 1276119441 /nfs/dbraw/zinc/11/94/41/1276119441.db2.gz UZUNLQWGXABNCX-AWEZNQCLSA-N -1 1 335.306 2.590 20 10 EFCDMM CCc1cc2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c2s1 ZINC001170316255 1279009093 /nfs/dbraw/zinc/00/90/93/1279009093.db2.gz DSUYAWHEHLMPFC-UHFFFAOYSA-N -1 1 329.381 2.960 20 10 EFCDMM CCN(CC)C(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170315894 1279009305 /nfs/dbraw/zinc/00/93/05/1279009305.db2.gz IXCJQMCNIARTAP-UHFFFAOYSA-N -1 1 342.395 2.875 20 10 EFCDMM O=C(CNc1cccc(Cc2ccncc2)n1)c1ccc([O-])c(O)c1 ZINC001170316694 1279009588 /nfs/dbraw/zinc/00/95/88/1279009588.db2.gz YVVXIYARFQIAEE-UHFFFAOYSA-N -1 1 335.363 2.773 20 10 EFCDMM Cc1ccnc(NCC(=O)c2ccc([O-])c(O)c2)c1Br ZINC001170314913 1279009908 /nfs/dbraw/zinc/00/99/08/1279009908.db2.gz KOHRIAYDNPHILS-UHFFFAOYSA-N -1 1 337.173 2.859 20 10 EFCDMM O=C(CNc1ccc(COCC2CC2)cn1)c1ccc([O-])c(O)c1 ZINC001170315670 1279010043 /nfs/dbraw/zinc/01/00/43/1279010043.db2.gz FXMRZFFVPAPBDC-UHFFFAOYSA-N -1 1 328.368 2.714 20 10 EFCDMM O=C(CNc1ccccc1C(=O)N1CCCC1)c1ccc([O-])c(O)c1 ZINC001170315433 1279010334 /nfs/dbraw/zinc/01/03/34/1279010334.db2.gz YIWYEWSSFYHQJO-UHFFFAOYSA-N -1 1 340.379 2.629 20 10 EFCDMM CCOC(=O)Cc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1F ZINC001170320682 1279013874 /nfs/dbraw/zinc/01/38/74/1279013874.db2.gz ISJDKDUBSFGNLW-UHFFFAOYSA-N -1 1 347.342 2.637 20 10 EFCDMM O=C(CNc1ccc(C2N=NC(=S)O2)cc1)c1ccc([O-])c(O)c1 ZINC001170322675 1279014701 /nfs/dbraw/zinc/01/47/01/1279014701.db2.gz LJOQKRUBXPMBSW-UHFFFAOYSA-N -1 1 343.364 2.731 20 10 EFCDMM C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000817881180 1276359170 /nfs/dbraw/zinc/35/91/70/1276359170.db2.gz PSVOADUHYQPMMV-DTWKUNHWSA-N -1 1 328.752 2.639 20 10 EFCDMM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000817881183 1276359412 /nfs/dbraw/zinc/35/94/12/1276359412.db2.gz PSVOADUHYQPMMV-RKDXNWHRSA-N -1 1 328.752 2.639 20 10 EFCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000817882101 1276360748 /nfs/dbraw/zinc/36/07/48/1276360748.db2.gz YKGYMWFLFUWCIR-GXSJLCMTSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1ncnn1C ZINC000788986063 1276429122 /nfs/dbraw/zinc/42/91/22/1276429122.db2.gz ZDBTYOBNRMACIX-JGVFFNPUSA-N -1 1 343.200 2.834 20 10 EFCDMM O=C(NCCc1nc2ccccc2s1)c1c(F)ccc(O)c1[O-] ZINC000789947278 1277112755 /nfs/dbraw/zinc/11/27/55/1277112755.db2.gz UHAZFSKDBLPFSR-UHFFFAOYSA-N -1 1 332.356 2.819 20 10 EFCDMM CCN(CCNC(=O)c1c(F)ccc(O)c1[O-])c1cccc(C)c1 ZINC000789946872 1277112785 /nfs/dbraw/zinc/11/27/85/1277112785.db2.gz NCOQZQRCYJVXGT-UHFFFAOYSA-N -1 1 332.375 2.802 20 10 EFCDMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789955204 1277115232 /nfs/dbraw/zinc/11/52/32/1277115232.db2.gz SQVGKSTXDHQXGN-UHFFFAOYSA-N -1 1 346.358 2.564 20 10 EFCDMM O=C(NCc1cc(Br)cs1)c1c(F)ccc(O)c1[O-] ZINC000789960190 1277123847 /nfs/dbraw/zinc/12/38/47/1277123847.db2.gz ODEXBKUXHAHIRJ-UHFFFAOYSA-N -1 1 346.177 2.991 20 10 EFCDMM O=C(NCc1cccnc1OC1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789957757 1277124023 /nfs/dbraw/zinc/12/40/23/1277124023.db2.gz UPZFWYZOPLLDNT-UHFFFAOYSA-N -1 1 346.358 2.883 20 10 EFCDMM Cn1cc(CNC(=O)c2c(F)ccc(O)c2[O-])c(-c2ccccc2)n1 ZINC000789998311 1277160946 /nfs/dbraw/zinc/16/09/46/1277160946.db2.gz YMGNLGURNVNCRA-UHFFFAOYSA-N -1 1 341.342 2.567 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@H](c2ccccc2F)C1 ZINC000789971866 1277166199 /nfs/dbraw/zinc/16/61/99/1277166199.db2.gz UHAQZOKRUOIOSG-AWEZNQCLSA-N -1 1 335.306 2.590 20 10 EFCDMM CCCCOc1ncccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000790070017 1277207351 /nfs/dbraw/zinc/20/73/51/1277207351.db2.gz XXOGFRNMMNMUER-UHFFFAOYSA-N -1 1 334.347 2.741 20 10 EFCDMM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000790071276 1277208852 /nfs/dbraw/zinc/20/88/52/1277208852.db2.gz STNMGOIZIRLNDT-HNNXBMFYSA-N -1 1 347.386 2.998 20 10 EFCDMM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1c([O-])c(O)ccc1F ZINC000790077721 1277210640 /nfs/dbraw/zinc/21/06/40/1277210640.db2.gz XZFFVUNMUOCJIW-NSHDSACASA-N -1 1 348.349 2.775 20 10 EFCDMM Nc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001175046807 1287306979 /nfs/dbraw/zinc/30/69/79/1287306979.db2.gz LEPRJTUMQMJRQE-UHFFFAOYSA-N -1 1 343.202 2.538 20 10 EFCDMM C[C@@H](COCC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000845217849 1279498302 /nfs/dbraw/zinc/49/83/02/1279498302.db2.gz RPICAKLSEWWAHR-ZDUSSCGKSA-N -1 1 344.363 2.644 20 10 EFCDMM CCC[C@@H](C)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000845921184 1279934623 /nfs/dbraw/zinc/93/46/23/1279934623.db2.gz JZWNTFAKJOJMHV-SECBINFHSA-N -1 1 336.251 2.763 20 10 EFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@@H]1c1ccsc1)cc2=O ZINC000846238923 1280082285 /nfs/dbraw/zinc/08/22/85/1280082285.db2.gz OADRFDQBBZEGOA-CYBMUJFWSA-N -1 1 344.396 2.532 20 10 EFCDMM COc1ccc(N(C)CCN(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000846442431 1280182190 /nfs/dbraw/zinc/18/21/90/1280182190.db2.gz QODJDOMWUZYLDA-UHFFFAOYSA-N -1 1 332.375 2.748 20 10 EFCDMM CC(C)(C)c1ccc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001144873254 1280303969 /nfs/dbraw/zinc/30/39/69/1280303969.db2.gz LVSOERWXWUCPKM-UHFFFAOYSA-N -1 1 341.407 2.937 20 10 EFCDMM O=C(Cc1ccc(F)cn1)NCc1cccc(Br)c1[O-] ZINC000807416453 1281317821 /nfs/dbraw/zinc/31/78/21/1281317821.db2.gz GJZYEZKWHRKJRQ-UHFFFAOYSA-N -1 1 339.164 2.548 20 10 EFCDMM O=C(CNC(=O)c1cccc2c1CCCC2)c1ccc([O-])c(O)c1 ZINC001148637559 1281701708 /nfs/dbraw/zinc/70/17/08/1281701708.db2.gz DGHBSIXGVOSUTF-UHFFFAOYSA-N -1 1 325.364 2.589 20 10 EFCDMM CO[C@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000816495647 1288163419 /nfs/dbraw/zinc/16/34/19/1288163419.db2.gz DPHWXNVVPYHUBB-PWSUYJOCSA-N -1 1 342.233 2.976 20 10 EFCDMM Cn1nnnc1-c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525330 1288203581 /nfs/dbraw/zinc/20/35/81/1288203581.db2.gz OIDWKHRPOSGEOG-UHFFFAOYSA-N -1 1 333.754 2.987 20 10 EFCDMM C[C@@H]1CSC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000805789987 1289012102 /nfs/dbraw/zinc/01/21/02/1289012102.db2.gz PIFHEESSYOCCKQ-KCJUWKMLSA-N -1 1 345.262 2.705 20 10 EFCDMM O=C(CNC(=O)C1CCC(C(F)(F)F)CC1)c1ccc([O-])c(O)c1 ZINC001179835857 1289280851 /nfs/dbraw/zinc/28/08/51/1289280851.db2.gz PLQKUXSVJFXPLK-UHFFFAOYSA-N -1 1 345.317 2.765 20 10 EFCDMM C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181782513 1289939918 /nfs/dbraw/zinc/93/99/18/1289939918.db2.gz UDQZRIOESUQTCQ-SNVBAGLBSA-N -1 1 349.770 2.518 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCO[C@H](c2ccccc2)C1 ZINC000825750977 1290369657 /nfs/dbraw/zinc/36/96/57/1290369657.db2.gz GUNSWPNMGGXKHP-HNNXBMFYSA-N -1 1 331.343 2.841 20 10 EFCDMM CCOC(=O)[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233030381 1312836232 /nfs/dbraw/zinc/83/62/32/1312836232.db2.gz RCGRGGUWLCHSIY-VIFPVBQESA-N -1 1 346.196 2.679 20 10 EFCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@@H](O)[C@H](F)CC1 ZINC001233028539 1312836328 /nfs/dbraw/zinc/83/63/28/1312836328.db2.gz QFWBTLNQSWLGEG-ZYHUDNBSSA-N -1 1 336.176 2.589 20 10 EFCDMM C[C@H]1CC[C@H](CO)CN1Cc1c([O-])cc(Br)cc1F ZINC001233028262 1312836540 /nfs/dbraw/zinc/83/65/40/1312836540.db2.gz LMAIGKYFFJHGAQ-UWVGGRQHSA-N -1 1 332.213 2.887 20 10 EFCDMM COC(=O)C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233033690 1312838405 /nfs/dbraw/zinc/83/84/05/1312838405.db2.gz UNCOUPDTBTZOCY-SECBINFHSA-N -1 1 346.196 2.679 20 10 EFCDMM CC(C)CC(=O)N1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877773235 1291367864 /nfs/dbraw/zinc/36/78/64/1291367864.db2.gz JIIDPMRRVBJFGO-UHFFFAOYSA-N -1 1 326.387 2.751 20 10 EFCDMM O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccncc1[O-] ZINC001188638958 1291439904 /nfs/dbraw/zinc/43/99/04/1291439904.db2.gz QHXWODXBMPUONA-UHFFFAOYSA-N -1 1 329.743 2.624 20 10 EFCDMM COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(C)=O)C2)cc1Br ZINC001233140583 1312865418 /nfs/dbraw/zinc/86/54/18/1312865418.db2.gz NMXLVKSYWPNFRX-LLVKDONJSA-N -1 1 342.233 2.964 20 10 EFCDMM O=S(=O)(Cc1cc(F)ccc1F)Nc1c(F)cc([O-])cc1F ZINC001189696426 1291818810 /nfs/dbraw/zinc/81/88/10/1291818810.db2.gz BTZRBAQTOCUXGS-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c(C)c(C)c1O ZINC000775291873 1291818881 /nfs/dbraw/zinc/81/88/81/1291818881.db2.gz QHYXYHSJKWQMSS-UHFFFAOYSA-N -1 1 347.392 2.789 20 10 EFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001233309027 1312899153 /nfs/dbraw/zinc/89/91/53/1312899153.db2.gz PVCAWTUMISJPSO-RNCFNFMXSA-N -1 1 340.217 2.926 20 10 EFCDMM O=C1c2ccccc2[C@H]2CN(Cc3c([O-])ccc(F)c3F)CCN12 ZINC001233332344 1312905174 /nfs/dbraw/zinc/90/51/74/1312905174.db2.gz HXSULPYSYVFDJD-OAHLLOKOSA-N -1 1 330.334 2.683 20 10 EFCDMM Cc1ccccc1C(=O)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335548 1312906200 /nfs/dbraw/zinc/90/62/00/1312906200.db2.gz AHVISACIJUVZDU-UHFFFAOYSA-N -1 1 346.377 2.937 20 10 EFCDMM CCOCc1cnc2n1CCN(Cc1c([O-])ccc(F)c1F)[C@H]2C ZINC001233333386 1312906395 /nfs/dbraw/zinc/90/63/95/1312906395.db2.gz UERWVKCNSOEKBJ-NSHDSACASA-N -1 1 337.370 2.980 20 10 EFCDMM O=C1CN(Cc2c([O-])ccc(F)c2F)CCN1Cc1ccccc1 ZINC001233335426 1312906462 /nfs/dbraw/zinc/90/64/62/1312906462.db2.gz UURXYUFWZHCEQW-UHFFFAOYSA-N -1 1 332.350 2.515 20 10 EFCDMM Cc1cnc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)s1 ZINC001233335451 1312906550 /nfs/dbraw/zinc/90/65/50/1312906550.db2.gz VUXCPGOEHJPCAW-UHFFFAOYSA-N -1 1 325.384 2.758 20 10 EFCDMM Cc1cccc(C(=O)N2CCN(Cc3c([O-])ccc(F)c3F)CC2)c1 ZINC001233334607 1312906767 /nfs/dbraw/zinc/90/67/67/1312906767.db2.gz NMHVZAHTMCKXPR-UHFFFAOYSA-N -1 1 346.377 2.937 20 10 EFCDMM Cc1cccc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1O ZINC001190413167 1292167781 /nfs/dbraw/zinc/16/77/81/1292167781.db2.gz OAMCJOGQKOLESM-UHFFFAOYSA-N -1 1 331.315 2.596 20 10 EFCDMM CCOC(=O)[C@H]1CSCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419458 1312928402 /nfs/dbraw/zinc/92/84/02/1312928402.db2.gz YDNCKLPKSYSLKI-GFCCVEGCSA-N -1 1 349.374 2.892 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C(=O)OC)C(F)(F)F ZINC001233494486 1312942774 /nfs/dbraw/zinc/94/27/74/1312942774.db2.gz CKOAGLKQYDYCJK-GFCCVEGCSA-N -1 1 336.262 2.563 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@H](C)OC[C@@H](C)OC ZINC001233496670 1312943042 /nfs/dbraw/zinc/94/30/42/1312943042.db2.gz ZACWYHDIKNMJCM-NEPJUHHUSA-N -1 1 326.389 2.899 20 10 EFCDMM O=S(=O)([N-]c1cc(F)c(O)cc1F)C(Cl)(Cl)Cl ZINC001192034059 1292755986 /nfs/dbraw/zinc/75/59/86/1292755986.db2.gz ATWJBVNVNYESLO-UHFFFAOYSA-N -1 1 326.535 2.740 20 10 EFCDMM Cn1cc(NC(=O)c2ccc(O)c([O-])c2Cl)c(C(F)(F)F)n1 ZINC001193210158 1293198536 /nfs/dbraw/zinc/19/85/36/1293198536.db2.gz VFMJENNCCBTSFG-UHFFFAOYSA-N -1 1 335.669 2.756 20 10 EFCDMM O=C(NCC1(c2ccc(F)cn2)CC1)c1ccc(O)c([O-])c1Cl ZINC001193247308 1293213259 /nfs/dbraw/zinc/21/32/59/1293213259.db2.gz UEFPQEIXOMVGOM-UHFFFAOYSA-N -1 1 336.750 2.747 20 10 EFCDMM NC(=O)c1cc2[nH]ccc2c(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193230037 1293225566 /nfs/dbraw/zinc/22/55/66/1293225566.db2.gz PGHRUEWWOKHEJX-UHFFFAOYSA-N -1 1 345.742 2.584 20 10 EFCDMM CC(=O)c1cc2c(cc1NC(=O)c1ccc(O)c([O-])c1Cl)OCO2 ZINC001193228873 1293225673 /nfs/dbraw/zinc/22/56/73/1293225673.db2.gz AESITAMDRYRWDA-UHFFFAOYSA-N -1 1 349.726 2.935 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1C=CCC1 ZINC000883781192 1293712368 /nfs/dbraw/zinc/71/23/68/1293712368.db2.gz GDSYISDJFGEZJC-JTQLQIEISA-N -1 1 325.206 2.920 20 10 EFCDMM Cc1cc(F)ccc1NC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001196144082 1294141917 /nfs/dbraw/zinc/14/19/17/1294141917.db2.gz JYEFJDMQDAUFBX-UHFFFAOYSA-N -1 1 334.372 2.715 20 10 EFCDMM O=C(CNC(=O)c1cnccc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC001196486205 1294254723 /nfs/dbraw/zinc/25/47/23/1294254723.db2.gz SNQXZXUQYLVWLL-UHFFFAOYSA-N -1 1 348.358 2.773 20 10 EFCDMM COc1cccc(CS(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001197376864 1294536424 /nfs/dbraw/zinc/53/64/24/1294536424.db2.gz MGGBBLBBTFTAIK-UHFFFAOYSA-N -1 1 329.324 2.621 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN[C@H](CCO)C(F)(F)F)c1 ZINC000886370919 1294902958 /nfs/dbraw/zinc/90/29/58/1294902958.db2.gz AMFYPUPMWULIIA-SNVBAGLBSA-N -1 1 342.155 2.866 20 10 EFCDMM COC(=O)[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccccc1F ZINC001234476740 1313136667 /nfs/dbraw/zinc/13/66/67/1313136667.db2.gz OTKBJRSRVUTQOD-INIZCTEOSA-N -1 1 334.299 2.733 20 10 EFCDMM O=C(C1CC1)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236797245 1313530155 /nfs/dbraw/zinc/53/01/55/1313530155.db2.gz WNTAGQBTESBBLZ-UHFFFAOYSA-N -1 1 329.227 2.753 20 10 EFCDMM COc1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c([O-])c1Cl ZINC001236801670 1313531732 /nfs/dbraw/zinc/53/17/32/1313531732.db2.gz LDNZANGIBFMPQV-GFCCVEGCSA-N -1 1 325.714 2.553 20 10 EFCDMM COc1cc([O-])c(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c(Cl)c1 ZINC001236808608 1313534400 /nfs/dbraw/zinc/53/44/00/1313534400.db2.gz PPPXKERXDOEZIB-LJUAHTATSA-N -1 1 337.725 2.958 20 10 EFCDMM C[C@@H]1CN(C2CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C[C@@H](C)O1 ZINC001237086728 1313584354 /nfs/dbraw/zinc/58/43/54/1313584354.db2.gz OCLZMBLIOHNJQT-GHMZBOCLSA-N -1 1 345.270 2.992 20 10 EFCDMM COC[C@@H]1Cn2ccnc2CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237120313 1313589631 /nfs/dbraw/zinc/58/96/31/1313589631.db2.gz BMXHBUYXDMLOAG-NSHDSACASA-N -1 1 339.798 2.660 20 10 EFCDMM O=C(c1ccco1)N1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237119872 1313589878 /nfs/dbraw/zinc/58/98/78/1313589878.db2.gz HBJVWHGTNLBMGT-UHFFFAOYSA-N -1 1 338.766 2.736 20 10 EFCDMM O=C1CN(Cc2c([O-])ccc(F)c2Cl)CCN1C1CCCC1 ZINC001237123315 1313590382 /nfs/dbraw/zinc/59/03/82/1313590382.db2.gz CHXZVCYSTUUIET-UHFFFAOYSA-N -1 1 326.799 2.772 20 10 EFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(Cc2cccnc2)CC1 ZINC001237121005 1313590493 /nfs/dbraw/zinc/59/04/93/1313590493.db2.gz JUOKJGDWOQZCQZ-UHFFFAOYSA-N -1 1 335.810 2.898 20 10 EFCDMM O=C(N1CCCC1)C12CC(C1)CN2Cc1c([O-])ccc(F)c1Cl ZINC001237121150 1313590670 /nfs/dbraw/zinc/59/06/70/1313590670.db2.gz KIZQYEVFAHNJOQ-UHFFFAOYSA-N -1 1 338.810 2.772 20 10 EFCDMM C[C@H]1CC(=O)CCN1Cc1cccc(I)c1[O-] ZINC001237777933 1313704421 /nfs/dbraw/zinc/70/44/21/1313704421.db2.gz QHJCYCAZKSIPNB-VIFPVBQESA-N -1 1 345.180 2.550 20 10 EFCDMM Cc1cnc(O[C@H]2CCN(Cc3cc(F)cc(Cl)c3[O-])C2)nc1 ZINC001237800879 1313708309 /nfs/dbraw/zinc/70/83/09/1313708309.db2.gz DAROCQVHZIPVPE-ZDUSSCGKSA-N -1 1 337.782 2.936 20 10 EFCDMM Cc1cnc(O[C@@H]2CCN(Cc3cc(F)cc(Cl)c3[O-])C2)nc1 ZINC001237800874 1313708539 /nfs/dbraw/zinc/70/85/39/1313708539.db2.gz DAROCQVHZIPVPE-CYBMUJFWSA-N -1 1 337.782 2.936 20 10 EFCDMM Cc1nccnc1O[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800788 1313708647 /nfs/dbraw/zinc/70/86/47/1313708647.db2.gz CDLIXGYHCFHTBM-ZDUSSCGKSA-N -1 1 337.782 2.936 20 10 EFCDMM O=C(c1ccccn1)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237943591 1313734568 /nfs/dbraw/zinc/73/45/68/1313734568.db2.gz NKGUWBZYPWZKGW-UHFFFAOYSA-N -1 1 349.793 2.538 20 10 EFCDMM CC(C)(C)OC(=O)NC1CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237947609 1313735417 /nfs/dbraw/zinc/73/54/17/1313735417.db2.gz RNQYQNRBGQHIJU-UHFFFAOYSA-N -1 1 330.787 2.894 20 10 EFCDMM Cc1ccc(CO[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000859828246 1301591148 /nfs/dbraw/zinc/59/11/48/1301591148.db2.gz SUTWAASHUQBQOA-CYBMUJFWSA-N -1 1 344.363 2.737 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[S@@](=O)CC2(C)C)c1[O-] ZINC000794564819 1302734069 /nfs/dbraw/zinc/73/40/69/1302734069.db2.gz CSNPNRLUJMYXER-OAQYLSRUSA-N -1 1 329.849 2.591 20 10 EFCDMM Nc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)cc1 ZINC001238889662 1313879193 /nfs/dbraw/zinc/87/91/93/1313879193.db2.gz VBUUJKXSLSYQOF-UHFFFAOYSA-N -1 1 346.786 2.721 20 10 EFCDMM Nc1cncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001210439484 1314333983 /nfs/dbraw/zinc/33/39/83/1314333983.db2.gz DOYWASODTMESGB-UHFFFAOYSA-N -1 1 331.331 2.888 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000901703542 1310908720 /nfs/dbraw/zinc/90/87/20/1310908720.db2.gz HRKBOYRYDCEUKG-UHFFFAOYSA-N -1 1 335.381 2.743 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000901704680 1310910054 /nfs/dbraw/zinc/91/00/54/1310910054.db2.gz SQINHDFVSDBUHF-UHFFFAOYSA-N -1 1 335.381 2.527 20 10 EFCDMM CC(C)NC(=O)N1CCC12CN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001276837838 1311183460 /nfs/dbraw/zinc/18/34/60/1311183460.db2.gz PZJMXMSXDIMBHR-UHFFFAOYSA-N -1 1 341.814 2.563 20 10 EFCDMM O=C(CNc1nccc(Oc2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC001159276900 1311484597 /nfs/dbraw/zinc/48/45/97/1311484597.db2.gz OYYJDLIWJMRYOY-UHFFFAOYSA-N -1 1 337.335 2.975 20 10 EFCDMM Cc1nc2cc(F)ccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159277290 1311484679 /nfs/dbraw/zinc/48/46/79/1311484679.db2.gz SWDZKNNGNCQXAE-UHFFFAOYSA-N -1 1 327.315 2.783 20 10 EFCDMM O=C(CNC(F)(F)c1cnc(Cl)c(F)c1)c1ccc([O-])c(O)c1 ZINC001159277747 1311484799 /nfs/dbraw/zinc/48/47/99/1311484799.db2.gz YBBCFYMUCFJNSQ-UHFFFAOYSA-N -1 1 346.692 2.807 20 10 EFCDMM O=C(CNc1cc(-c2ccc(F)cc2)ncn1)c1ccc([O-])c(O)c1 ZINC001159280277 1311485041 /nfs/dbraw/zinc/48/50/41/1311485041.db2.gz JGVXNPCZYFTJMX-UHFFFAOYSA-N -1 1 339.326 2.989 20 10 EFCDMM CSc1nc2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c2s1 ZINC001159279810 1311485100 /nfs/dbraw/zinc/48/51/00/1311485100.db2.gz ZSNZGVHZILDJMB-UHFFFAOYSA-N -1 1 348.409 2.514 20 10 EFCDMM O=C(CNc1cncc(OCC2CCCC2)n1)c1ccc([O-])c(O)c1 ZINC001159280497 1311485381 /nfs/dbraw/zinc/48/53/81/1311485381.db2.gz ULMHJQGLMVYZTK-UHFFFAOYSA-N -1 1 343.383 2.752 20 10 EFCDMM CSc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(SC)n1 ZINC001159280464 1311485585 /nfs/dbraw/zinc/48/55/85/1311485585.db2.gz SAERTQUVJHIKKV-UHFFFAOYSA-N -1 1 337.426 2.626 20 10 EFCDMM CN1CCC[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227580026 1311824456 /nfs/dbraw/zinc/82/44/56/1311824456.db2.gz FCUDMCLGQIGLOH-GFCCVEGCSA-N -1 1 337.375 2.641 20 10 EFCDMM CC[C@@H](COC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580161 1311824558 /nfs/dbraw/zinc/82/45/58/1311824558.db2.gz ICOUVJQOYOEELQ-NSHDSACASA-N -1 1 326.348 2.971 20 10 EFCDMM C[C@H](O)CCCC(=O)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940388 1311876615 /nfs/dbraw/zinc/87/66/15/1311876615.db2.gz LDONXRZZYZBRIW-LBPRGKRZSA-N -1 1 344.363 2.785 20 10 EFCDMM CCOC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228113055 1311901569 /nfs/dbraw/zinc/90/15/69/1311901569.db2.gz CJZYQAVUPBZXHW-NSHDSACASA-N -1 1 332.352 2.838 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC[C@H]1CCCO1 ZINC001228116328 1311902071 /nfs/dbraw/zinc/90/20/71/1311902071.db2.gz ZGCRZOVGBXBTPZ-CYBMUJFWSA-N -1 1 330.336 2.592 20 10 EFCDMM CO[C@H](C)CCOc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197007 1312060349 /nfs/dbraw/zinc/06/03/49/1312060349.db2.gz LKXYNEDDPNIFNO-SNVBAGLBSA-N -1 1 342.347 2.677 20 10 EFCDMM CCOC[C@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197393 1312060627 /nfs/dbraw/zinc/06/06/27/1312060627.db2.gz OKBBBHIKZWHDFA-JTQLQIEISA-N -1 1 342.347 2.677 20 10 EFCDMM O=C([O-])c1ccc(CN2CCN(c3ccc(F)cc3F)CC2)c(O)c1 ZINC001231455472 1312500818 /nfs/dbraw/zinc/50/08/18/1312500818.db2.gz PEDHKVIHBITYHO-UHFFFAOYSA-N -1 1 348.349 2.691 20 10 EFCDMM C[C@]1(c2ccc(F)cc2)CN(Cc2ccc(C(=O)[O-])cc2O)CCO1 ZINC001231454749 1312500968 /nfs/dbraw/zinc/50/09/68/1312500968.db2.gz IWPKICZVBNWSMK-LJQANCHMSA-N -1 1 345.370 2.977 20 10 EFCDMM COc1cccc(CN(C)Cc2cc(C(=O)[O-])ccc2O)c1OC ZINC001231565187 1312526332 /nfs/dbraw/zinc/52/63/32/1312526332.db2.gz AGSUHVSTJAEHEJ-UHFFFAOYSA-N -1 1 331.368 2.740 20 10 EFCDMM COc1cc2c(cc1OC)CN(Cc1cc(C(=O)[O-])ccc1O)CC2 ZINC001231565021 1312526346 /nfs/dbraw/zinc/52/63/46/1312526346.db2.gz NQUGGFSZUZDWPQ-UHFFFAOYSA-N -1 1 343.379 2.666 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CCN(Cc3ccccc3F)CC2)c1 ZINC001231564532 1312526707 /nfs/dbraw/zinc/52/67/07/1312526707.db2.gz SUCJUFQGZVPUCA-UHFFFAOYSA-N -1 1 344.386 2.547 20 10 EFCDMM CCOC[C@@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cnn(C)c21 ZINC001231909708 1312585946 /nfs/dbraw/zinc/58/59/46/1312585946.db2.gz FGRQLXJEYRCESI-AWEZNQCLSA-N -1 1 335.835 2.915 20 10 EFCDMM CCOC[C@@H]1Cn2nccc2CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231911163 1312587438 /nfs/dbraw/zinc/58/74/38/1312587438.db2.gz DOJYCVFAZAHKDB-ZDUSSCGKSA-N -1 1 335.835 2.911 20 10 EFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cncc(CO)c3)c([O-])cc21 ZINC001211106565 1314435874 /nfs/dbraw/zinc/43/58/74/1314435874.db2.gz MEIIDDVFNPEHCA-UHFFFAOYSA-N -1 1 346.342 2.799 20 10 EFCDMM COC(=O)[N-]C(=S)N(c1ccc(N)cc1C)c1ccccc1N ZINC001214125075 1314647895 /nfs/dbraw/zinc/64/78/95/1314647895.db2.gz BKNZPZFOHRKAMY-UHFFFAOYSA-N -1 1 330.413 2.938 20 10 EFCDMM CC(=O)c1ccc(F)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325102 1314815612 /nfs/dbraw/zinc/81/56/12/1314815612.db2.gz ALMUPQGCAVKBFK-UHFFFAOYSA-N -1 1 330.271 2.862 20 10 EFCDMM Cc1ncn(C)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251394804 1315345424 /nfs/dbraw/zinc/34/54/24/1315345424.db2.gz UMDSKZWOLNLMIV-UHFFFAOYSA-N -1 1 336.200 2.542 20 10 EFCDMM C[C@H]1SCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000827650954 1316009905 /nfs/dbraw/zinc/00/99/05/1316009905.db2.gz VUGKYUIKBXTXSO-KCJUWKMLSA-N -1 1 345.262 2.848 20 10 EFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cc(F)c(F)cc1F ZINC001259041478 1316201002 /nfs/dbraw/zinc/20/10/02/1316201002.db2.gz NNSGUHWMAZTFPT-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)cc1 ZINC001259177354 1316215415 /nfs/dbraw/zinc/21/54/15/1316215415.db2.gz SGQNWRPPCMKUQP-UHFFFAOYSA-N -1 1 333.365 2.598 20 10 EFCDMM COc1cc(C)ccc1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001259203725 1316219627 /nfs/dbraw/zinc/21/96/27/1316219627.db2.gz QCANSKDQESHKKK-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM COc1ccc(C(=O)c2ccccc2[N-]S(=O)(=O)C2CC2)cc1 ZINC001259276479 1316224138 /nfs/dbraw/zinc/22/41/38/1316224138.db2.gz MUAUIHLPJGBGGN-UHFFFAOYSA-N -1 1 331.393 2.830 20 10 EFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259619774 1316263367 /nfs/dbraw/zinc/26/33/67/1316263367.db2.gz HXUCJYHVBMRTSD-UHFFFAOYSA-N -1 1 327.402 2.501 20 10 EFCDMM COc1ccc(CS(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001259899647 1316295013 /nfs/dbraw/zinc/29/50/13/1316295013.db2.gz ZXXWBSNNIGNCTI-UHFFFAOYSA-N -1 1 329.324 2.621 20 10 EFCDMM O=S(=O)([N-]Cc1ccccc1O)c1cc(F)c(F)cc1Cl ZINC001260286840 1316328186 /nfs/dbraw/zinc/32/81/86/1316328186.db2.gz IYOGWVGMHYFNTC-UHFFFAOYSA-N -1 1 333.743 2.802 20 10 EFCDMM O=S(=O)([N-]c1cc(F)cc(F)c1Cl)c1cccc2nonc21 ZINC001260441007 1316338589 /nfs/dbraw/zinc/33/85/89/1316338589.db2.gz GRPSJQQLUVNBPR-UHFFFAOYSA-N -1 1 345.714 2.955 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1C ZINC001260637956 1316351988 /nfs/dbraw/zinc/35/19/88/1316351988.db2.gz BAXMDXNWQBSLLI-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM CCc1nc(CNCc2ccc3c(c2)CCCO3)ccc1C(=O)[O-] ZINC000900026819 1324676327 /nfs/dbraw/zinc/67/63/27/1324676327.db2.gz TWRPFUCIIVLFRN-UHFFFAOYSA-N -1 1 326.396 2.957 20 10 EFCDMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000753781172 1324795144 /nfs/dbraw/zinc/79/51/44/1324795144.db2.gz XBBMOIIDGQLWCC-UHFFFAOYSA-N -1 1 339.344 2.647 20 10 EFCDMM CC(C)c1cc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)ccc1O ZINC001333145193 1331084177 /nfs/dbraw/zinc/08/41/77/1331084177.db2.gz VFVVGBQXUVPTDS-UHFFFAOYSA-N -1 1 346.412 2.598 20 10 EFCDMM CC1(C)Cc2cccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2O1 ZINC000848854647 1334939412 /nfs/dbraw/zinc/93/94/12/1334939412.db2.gz XCBDMOAJUDOZOX-UHFFFAOYSA-N -1 1 342.347 2.851 20 10 EFCDMM O=C(CC[C@@H]1CC1(Cl)Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000849874141 1335787934 /nfs/dbraw/zinc/78/79/34/1335787934.db2.gz PCTUSMIZPLYRQI-SECBINFHSA-N -1 1 333.167 2.798 20 10 EFCDMM CCC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1nnn[n-]1 ZINC000736431313 1426747589 /nfs/dbraw/zinc/74/75/89/1426747589.db2.gz MWSCXQVVXJLUSK-INIZCTEOSA-N -1 1 338.415 2.878 20 10 EFCDMM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)C)c(F)c1 ZINC000826278556 1428813935 /nfs/dbraw/zinc/81/39/35/1428813935.db2.gz IXGONZIRBGIQMF-UHFFFAOYSA-N -1 1 326.379 2.992 20 10 EFCDMM CN(C)c1ccc(CNCc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC000821589201 1425143426 /nfs/dbraw/zinc/14/34/26/1425143426.db2.gz BYUAPNFYRAVJGJ-UHFFFAOYSA-N -1 1 344.369 2.501 20 10 EFCDMM CN(C)c1ccc(CNCc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000821589201 1425143434 /nfs/dbraw/zinc/14/34/34/1425143434.db2.gz BYUAPNFYRAVJGJ-UHFFFAOYSA-N -1 1 344.369 2.501 20 10 EFCDMM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)C)c(F)c1 ZINC000826186981 1426474125 /nfs/dbraw/zinc/47/41/25/1426474125.db2.gz TUOWQSFIXSWJPO-UHFFFAOYSA-N -1 1 342.378 2.693 20 10 EFCDMM CCOc1cccc(CNc2cc(-c3nnn[n-]3)ccc2OC)c1O ZINC000825649441 1426557796 /nfs/dbraw/zinc/55/77/96/1426557796.db2.gz PRKIIFMJWITSGH-UHFFFAOYSA-N -1 1 341.371 2.592 20 10 EFCDMM COc1cc(C)cc(CN(C)c2ccccc2-c2nnn[n-]2)c1O ZINC000826178200 1441843471 /nfs/dbraw/zinc/84/34/71/1441843471.db2.gz NRARQNWFIONQOU-UHFFFAOYSA-N -1 1 325.372 2.526 20 10 EFCDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(F)c1O ZINC000825632619 1442049452 /nfs/dbraw/zinc/04/94/52/1442049452.db2.gz YAUQFFAFDMQFFH-UHFFFAOYSA-N -1 1 329.335 2.722 20 10 EFCDMM COc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1O ZINC000826216389 1443306386 /nfs/dbraw/zinc/30/63/86/1443306386.db2.gz WUXQGASSIJMTSE-UHFFFAOYSA-N -1 1 331.763 2.846 20 10 EFCDMM Cc1cc(O)c(CN(C)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826271435 1443918782 /nfs/dbraw/zinc/91/87/82/1443918782.db2.gz RBZXBJIPKNMQHA-UHFFFAOYSA-N -1 1 327.363 2.965 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000826209252 1446255185 /nfs/dbraw/zinc/25/51/85/1446255185.db2.gz SZXAVUWMMMLIMQ-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM CN(C)c1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000736781410 1449946033 /nfs/dbraw/zinc/94/60/33/1449946033.db2.gz ZQVOLKMNHPCNIC-UHFFFAOYSA-N -1 1 344.369 2.501 20 10 EFCDMM CC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736324758 1450042051 /nfs/dbraw/zinc/04/20/51/1450042051.db2.gz ICQCHNDEYHWZEN-NSHDSACASA-N -1 1 338.415 2.803 20 10 EFCDMM COc1cc(CN(C)c2ccc(-c3nnn[n-]3)cc2F)c(O)cc1C ZINC000826179670 1450428665 /nfs/dbraw/zinc/42/86/65/1450428665.db2.gz YQWBTYYZKVUPHQ-UHFFFAOYSA-N -1 1 343.362 2.665 20 10 EFCDMM O=C(CSc1nnc(-c2ccncc2)o1)c1ccc([O-])c(O)c1 ZINC000021241111 724591595 /nfs/dbraw/zinc/59/15/95/724591595.db2.gz HXZFTUUWSFVARD-UHFFFAOYSA-N -1 1 329.337 2.518 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCc3ncncc3C2)c1 ZINC000895723299 724284698 /nfs/dbraw/zinc/28/46/98/724284698.db2.gz VDAQICULBMZKPA-UHFFFAOYSA-N -1 1 334.217 2.811 20 10 EFCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895835599 724342217 /nfs/dbraw/zinc/34/22/17/724342217.db2.gz FIKZEVUCROKLAU-GFCCVEGCSA-N -1 1 327.705 2.931 20 10 EFCDMM O=C(Cc1c(F)cccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590281 727698945 /nfs/dbraw/zinc/69/89/45/727698945.db2.gz XJDPZWUBJWCMOM-UHFFFAOYSA-N -1 1 338.718 2.859 20 10 EFCDMM COc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591560 727699043 /nfs/dbraw/zinc/69/90/43/727699043.db2.gz VLPAWIVFGAFAKL-UHFFFAOYSA-N -1 1 336.727 2.800 20 10 EFCDMM Cc1ccc(OCCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916591565 727699079 /nfs/dbraw/zinc/69/90/79/727699079.db2.gz VUNKMGWMCZKMQF-UHFFFAOYSA-N -1 1 344.363 2.991 20 10 EFCDMM Cc1ccc(C)c(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916590810 727699128 /nfs/dbraw/zinc/69/91/28/727699128.db2.gz RJOPZNLHEABJEA-UHFFFAOYSA-N -1 1 330.336 2.520 20 10 EFCDMM Cc1cccc(OCCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916591664 727699140 /nfs/dbraw/zinc/69/91/40/727699140.db2.gz ZKELJKDROCJBLZ-UHFFFAOYSA-N -1 1 344.363 2.991 20 10 EFCDMM CC(C)CN1C(=O)C(=CNc2cccc(Cl)c2)C(=O)[N-]C1=S ZINC000920974810 729250244 /nfs/dbraw/zinc/25/02/44/729250244.db2.gz UVOLBFCBNJNWTL-KPKJPENVSA-N -1 1 337.832 2.535 20 10 EFCDMM C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC001602819687 971619283 /nfs/dbraw/zinc/61/92/83/971619283.db2.gz CYOSGCDOWPWBSW-SSDOTTSWSA-N -1 1 332.169 2.731 20 10 EFCDMM C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)[C@H]1C(=O)[O-] ZINC001589334629 953979777 /nfs/dbraw/zinc/97/97/77/953979777.db2.gz QNUCKEGQIKDFCK-NOZJJQNGSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)[C@H]1C(=O)[O-] ZINC001589334629 953979789 /nfs/dbraw/zinc/97/97/89/953979789.db2.gz QNUCKEGQIKDFCK-NOZJJQNGSA-N -1 1 328.206 2.840 20 10 EFCDMM CC(C)(CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000818625384 955413609 /nfs/dbraw/zinc/41/36/09/955413609.db2.gz ZKWHCRAHLSHXCS-UHFFFAOYSA-N -1 1 349.214 2.999 20 10 EFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000840997447 955584324 /nfs/dbraw/zinc/58/43/24/955584324.db2.gz KEZDHDAKYKEJBY-JTQLQIEISA-N -1 1 328.206 2.760 20 10 EFCDMM COc1c([O-])c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001594048935 957959643 /nfs/dbraw/zinc/95/96/43/957959643.db2.gz YSKRRPLGVKCHJD-GFCCVEGCSA-N -1 1 338.360 2.528 20 10 EFCDMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994235 968984315 /nfs/dbraw/zinc/98/43/15/968984315.db2.gz WLBSPMYCZSXETL-MWLCHTKSSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994235 968984322 /nfs/dbraw/zinc/98/43/22/968984322.db2.gz WLBSPMYCZSXETL-MWLCHTKSSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@H]1C(=O)[O-] ZINC000715790523 969083847 /nfs/dbraw/zinc/08/38/47/969083847.db2.gz UIVTYCBRALGZKC-GZMMTYOYSA-N -1 1 346.196 2.836 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000842935099 969232250 /nfs/dbraw/zinc/23/22/50/969232250.db2.gz INJDSMIYTRONBH-MWLCHTKSSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000842935099 969232260 /nfs/dbraw/zinc/23/22/60/969232260.db2.gz INJDSMIYTRONBH-MWLCHTKSSA-N -1 1 325.792 2.933 20 10 EFCDMM C[C@]1(C(=O)[O-])CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706637705 977356766 /nfs/dbraw/zinc/35/67/66/977356766.db2.gz VROUPBYTQVYERQ-AWEZNQCLSA-N -1 1 328.206 2.841 20 10 EFCDMM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706637705 977356771 /nfs/dbraw/zinc/35/67/71/977356771.db2.gz VROUPBYTQVYERQ-AWEZNQCLSA-N -1 1 328.206 2.841 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c([O-])cccc1Br ZINC000706649741 977357384 /nfs/dbraw/zinc/35/73/84/977357384.db2.gz VGPBARAYDLBGRH-RULNRJAQSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c([O-])cccc1Br ZINC000706649741 977357390 /nfs/dbraw/zinc/35/73/90/977357390.db2.gz VGPBARAYDLBGRH-RULNRJAQSA-N -1 1 340.217 2.840 20 10 EFCDMM C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706637708 977357537 /nfs/dbraw/zinc/35/75/37/977357537.db2.gz VROUPBYTQVYERQ-CQSZACIVSA-N -1 1 328.206 2.841 20 10 EFCDMM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706637708 977357543 /nfs/dbraw/zinc/35/75/43/977357543.db2.gz VROUPBYTQVYERQ-CQSZACIVSA-N -1 1 328.206 2.841 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000708071441 977413623 /nfs/dbraw/zinc/41/36/23/977413623.db2.gz MLZNMKUYRQDXIF-UHFFFAOYSA-N -1 1 334.597 2.857 20 10 EFCDMM C[C@@](CC(=O)[O-])([NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC001592318388 977703084 /nfs/dbraw/zinc/70/30/84/977703084.db2.gz PHCVFOAKLIUNJH-AWEZNQCLSA-N -1 1 328.206 2.888 20 10 EFCDMM CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(F)c1[O-] ZINC000715757851 977781823 /nfs/dbraw/zinc/78/18/23/977781823.db2.gz BBERFTAQWCACDC-UHFFFAOYSA-N -1 1 334.185 2.836 20 10 EFCDMM Cc1cc(CN2CCO[C@H](CC(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846273218 979437882 /nfs/dbraw/zinc/43/78/82/979437882.db2.gz TYOPQMNTGQRXJK-QGZVFWFLSA-N -1 1 332.444 2.661 20 10 EFCDMM CCCN(CCC)c1ccc(CN2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000902002214 980680749 /nfs/dbraw/zinc/68/07/49/980680749.db2.gz NEHGTRAWCXHZLH-GOSISDBHSA-N -1 1 334.460 2.989 20 10 EFCDMM O=C([O-])c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)[nH]1 ZINC001574964722 983289860 /nfs/dbraw/zinc/28/98/60/983289860.db2.gz DWEZCQDOCIWCSP-UHFFFAOYSA-N -1 1 329.139 2.655 20 10 EFCDMM CN(Cc1c(O)ccc(Cl)c1F)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598505996 992503340 /nfs/dbraw/zinc/50/33/40/992503340.db2.gz YBWWSRSDKAEJOV-LBPRGKRZSA-N -1 1 331.771 2.639 20 10 EFCDMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(N2CCOCC2)cc1 ZINC001593289366 994662558 /nfs/dbraw/zinc/66/25/58/994662558.db2.gz RCUPPLOBHIBGMD-CYBMUJFWSA-N -1 1 330.384 2.665 20 10 EFCDMM CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC001599079728 996971666 /nfs/dbraw/zinc/97/16/66/996971666.db2.gz YBKGEQZXXSTXAD-IBGZPJMESA-N -1 1 341.363 2.967 20 10 EFCDMM CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC001599079728 996971674 /nfs/dbraw/zinc/97/16/74/996971674.db2.gz YBKGEQZXXSTXAD-IBGZPJMESA-N -1 1 341.363 2.967 20 10 EFCDMM COc1cc(CN2CC[C@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001599407440 997347669 /nfs/dbraw/zinc/34/76/69/997347669.db2.gz QVGIQULZQIBALI-QGZVFWFLSA-N -1 1 325.380 2.697 20 10 EFCDMM COc1cc(CN2CC[C@@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001599407438 997348076 /nfs/dbraw/zinc/34/80/76/997348076.db2.gz QVGIQULZQIBALI-KRWDZBQOSA-N -1 1 325.380 2.697 20 10 EFCDMM COc1ccc(-c2nn[nH]n2)cc1NCc1c([O-])ccc(Cl)c1F ZINC001591569068 1093773314 /nfs/dbraw/zinc/77/33/14/1093773314.db2.gz RGWPLKFVCAKRSY-UHFFFAOYSA-N -1 1 349.753 2.986 20 10 EFCDMM Cc1cc(CNc2cncc(-c3nnn[n-]3)n2)c(C)n1-c1ccccc1 ZINC001591970477 1093939419 /nfs/dbraw/zinc/93/94/19/1093939419.db2.gz JBMGZBPRSKSAAE-UHFFFAOYSA-N -1 1 346.398 2.676 20 10 EFCDMM Cc1cc(CNc2cncc(-c3nn[n-]n3)n2)c(C)n1-c1ccccc1 ZINC001591970477 1093939427 /nfs/dbraw/zinc/93/94/27/1093939427.db2.gz JBMGZBPRSKSAAE-UHFFFAOYSA-N -1 1 346.398 2.676 20 10 EFCDMM [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC001593539048 1094350843 /nfs/dbraw/zinc/35/08/43/1094350843.db2.gz PLUMODQXGOBGSW-UHFFFAOYSA-N -1 1 340.170 2.762 20 10 EFCDMM O=C(COC(=O)c1cc(F)c(F)c(F)c1F)c1ccc([O-])c(O)c1 ZINC000782975858 1094672395 /nfs/dbraw/zinc/67/23/95/1094672395.db2.gz IFDJOJWMNXYDLJ-UHFFFAOYSA-N -1 1 344.216 2.694 20 10 EFCDMM O=C([O-])[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc2c(c1)CCO2 ZINC001601674573 1095807793 /nfs/dbraw/zinc/80/77/93/1095807793.db2.gz PLLUBVBYPDZJCB-INIZCTEOSA-N -1 1 333.771 2.896 20 10 EFCDMM O=C([O-])C1(C2(O)CC[NH+](Cc3c([O-])cccc3Cl)CC2)CCC1 ZINC001601704780 1095849897 /nfs/dbraw/zinc/84/98/97/1095849897.db2.gz BNEVSFIRTCNIBA-UHFFFAOYSA-N -1 1 339.819 2.627 20 10 EFCDMM O=C([O-])[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1c1ccc(O)cc1 ZINC001602188622 1096108659 /nfs/dbraw/zinc/10/86/59/1096108659.db2.gz GFYBLQUYNMKYNV-LSDHHAIUSA-N -1 1 331.343 2.537 20 10 EFCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H](CCF)C2)c1O ZINC001602304677 1096167885 /nfs/dbraw/zinc/16/78/85/1096167885.db2.gz YKWPIIMPGJWSGM-ZDUSSCGKSA-N -1 1 333.359 2.804 20 10 EFCDMM O=C([O-])c1coc(CNCc2c(O)cccc2Br)c1 ZINC001602556893 1096296406 /nfs/dbraw/zinc/29/64/06/1096296406.db2.gz XYLMBPULKQHQEH-UHFFFAOYSA-N -1 1 326.146 2.736 20 10 EFCDMM C[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1cc(C(=O)[O-])ccc1O ZINC001604323373 1096808859 /nfs/dbraw/zinc/80/88/59/1096808859.db2.gz ZLJDYMVPYGKANF-NEPJUHHUSA-N -1 1 344.415 2.820 20 10 EFCDMM CN(C)c1ccc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)cc1 ZINC001604704718 1096936488 /nfs/dbraw/zinc/93/64/88/1096936488.db2.gz URCDLXXDYBUHMN-UHFFFAOYSA-N -1 1 335.824 2.655 20 10 EFCDMM COc1cc(C)c(CN2CCOc3c(cccc3C(=O)[O-])C2)c(O)c1 ZINC001607148607 1097543610 /nfs/dbraw/zinc/54/36/10/1097543610.db2.gz KPDCTLLECZCSMA-UHFFFAOYSA-N -1 1 343.379 2.802 20 10 EFCDMM O=C([O-])c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC001608462806 1097925871 /nfs/dbraw/zinc/92/58/71/1097925871.db2.gz RAYHWFZOAWVFRE-UHFFFAOYSA-N -1 1 341.150 2.722 20 10 EFCDMM O=C([O-])[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC001608802762 1098027150 /nfs/dbraw/zinc/02/71/50/1098027150.db2.gz WMMBPWFMEXRMJG-NEPJUHHUSA-N -1 1 328.206 2.888 20 10 EFCDMM O=C([O-])c1cc2ccccc2c(CN2CCc3nccnc3C2)c1O ZINC001608865993 1098049056 /nfs/dbraw/zinc/04/90/56/1098049056.db2.gz REBYIQDEQRYHPJ-UHFFFAOYSA-N -1 1 335.363 2.592 20 10 EFCDMM CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C(=O)[O-])C1 ZINC001610237963 1098586259 /nfs/dbraw/zinc/58/62/59/1098586259.db2.gz ROEPKUKUWWWRTR-JQWIXIFHSA-N -1 1 334.199 2.763 20 10 EFCDMM Cn1nc(C(F)(F)F)c(C=C2SC(=S)[N-]C2=O)c1Cl ZINC000782107771 1102081456 /nfs/dbraw/zinc/08/14/56/1102081456.db2.gz NIBGSFGBMPMNAQ-RQOWECAXSA-N -1 1 327.740 2.581 20 10 EFCDMM CO[C@@](C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1F ZINC000784972498 1102357999 /nfs/dbraw/zinc/35/79/99/1102357999.db2.gz GTKXHKYGIWJWMA-GOSISDBHSA-N -1 1 348.326 2.525 20 10 EFCDMM COc1ccc2c(c1)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CC2 ZINC000784991413 1102656677 /nfs/dbraw/zinc/65/66/77/1102656677.db2.gz KDHXHMAJKJERMD-CQSZACIVSA-N -1 1 342.347 2.562 20 10 EFCDMM COc1ccc2c(c1)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CC2 ZINC000784991407 1102657040 /nfs/dbraw/zinc/65/70/40/1102657040.db2.gz KDHXHMAJKJERMD-AWEZNQCLSA-N -1 1 342.347 2.562 20 10 EFCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000784992731 1102665636 /nfs/dbraw/zinc/66/56/36/1102665636.db2.gz OYUGICBVBKEWDR-JTQLQIEISA-N -1 1 345.307 2.536 20 10 EFCDMM Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001142508788 1106029738 /nfs/dbraw/zinc/02/97/38/1106029738.db2.gz LKJPNQPBZDYERV-CYBMUJFWSA-N -1 1 325.277 2.950 20 10 EFCDMM CCOC[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])Cc2ncn(C)c21 ZINC001142512656 1106053990 /nfs/dbraw/zinc/05/39/90/1106053990.db2.gz HLLQRXAPUSAZBD-LBPRGKRZSA-N -1 1 337.370 2.540 20 10 EFCDMM O=C(COC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc([O-])c(O)c1 ZINC000783859665 1106420508 /nfs/dbraw/zinc/42/05/08/1106420508.db2.gz USMZNDBKPYQGRO-NWDGAFQWSA-N -1 1 348.301 2.906 20 10 EFCDMM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](O)[C@H](F)CC1 ZINC001235299566 1111730941 /nfs/dbraw/zinc/73/09/41/1111730941.db2.gz VTNWGMQILXDHQE-VXGBXAGGSA-N -1 1 336.176 2.589 20 10 EFCDMM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](O)[C@@H](F)CC1 ZINC001235299563 1111731115 /nfs/dbraw/zinc/73/11/15/1111731115.db2.gz VTNWGMQILXDHQE-NWDGAFQWSA-N -1 1 336.176 2.589 20 10 EFCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC)cc1C ZINC000901704695 1120302535 /nfs/dbraw/zinc/30/25/35/1120302535.db2.gz UBRFYFXYNHIPLB-UHFFFAOYSA-N -1 1 337.397 2.909 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(C2CC2)on1 ZINC000277528530 240784935 /nfs/dbraw/zinc/78/49/35/240784935.db2.gz MIGUNYLJOCYOTQ-UHFFFAOYSA-N -1 1 337.173 2.950 20 10 EFCDMM Cc1cnn([C@@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)c1 ZINC000290891575 241021958 /nfs/dbraw/zinc/02/19/58/241021958.db2.gz LJSWWVRKFYYSQN-CYBMUJFWSA-N -1 1 336.779 2.906 20 10 EFCDMM Cc1ccc(N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)cc1C ZINC000295437454 241053072 /nfs/dbraw/zinc/05/30/72/241053072.db2.gz GEYIRUAKJPHBAC-UHFFFAOYSA-N -1 1 344.386 2.816 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000367571989 242385024 /nfs/dbraw/zinc/38/50/24/242385024.db2.gz CBIHRKCVIVIUAX-JKSUJKDBSA-N -1 1 339.819 2.628 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000089155439 472391631 /nfs/dbraw/zinc/39/16/31/472391631.db2.gz XBCGZCQAZXMFDX-HOTGVXAUSA-N -1 1 339.819 2.628 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCCC3(C2)OCCO3)c1[O-] ZINC000090564248 472637963 /nfs/dbraw/zinc/63/79/63/472637963.db2.gz RBPFEBCGDRJFPP-UHFFFAOYSA-N -1 1 325.792 2.587 20 10 EFCDMM CCOCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158085247 472891117 /nfs/dbraw/zinc/89/11/17/472891117.db2.gz RZIRIBBGVAXQIN-OAHLLOKOSA-N -1 1 340.851 2.553 20 10 EFCDMM O=C1NCCN1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000127614969 473632473 /nfs/dbraw/zinc/63/24/73/473632473.db2.gz OWQKWWQWKIEVMF-UHFFFAOYSA-N -1 1 344.242 2.689 20 10 EFCDMM COc1cc(Br)cc(C[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000179394808 473683793 /nfs/dbraw/zinc/68/37/93/473683793.db2.gz VBRMFIRDUMQRIW-JTQLQIEISA-N -1 1 330.222 2.774 20 10 EFCDMM C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000179563750 473694665 /nfs/dbraw/zinc/69/46/65/473694665.db2.gz PAGKOLCFTDNXCM-UHFFFAOYSA-N -1 1 349.452 2.697 20 10 EFCDMM C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000281438704 473721273 /nfs/dbraw/zinc/72/12/73/473721273.db2.gz BSZZYYRZBFKWGV-NXEZZACHSA-N -1 1 340.217 2.776 20 10 EFCDMM C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000282062896 473934948 /nfs/dbraw/zinc/93/49/48/473934948.db2.gz MKUCUPCNGNXDDF-JRKPZEMJSA-N -1 1 328.206 2.584 20 10 EFCDMM COCCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277334585 474583259 /nfs/dbraw/zinc/58/32/59/474583259.db2.gz FIWCDTRQOUFASL-UHFFFAOYSA-N -1 1 345.237 2.771 20 10 EFCDMM Cc1cccc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000276563195 474566279 /nfs/dbraw/zinc/56/62/79/474566279.db2.gz KJJHQISJVPNYFA-UHFFFAOYSA-N -1 1 344.386 2.503 20 10 EFCDMM CC(C)(C)c1csc(CCNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000276644058 474567895 /nfs/dbraw/zinc/56/78/95/474567895.db2.gz VKIKRDZTWGOHFL-UHFFFAOYSA-N -1 1 338.404 2.963 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1conc1C1CC1 ZINC000290404851 474571018 /nfs/dbraw/zinc/57/10/18/474571018.db2.gz KTTGDWGYUNMTDG-UHFFFAOYSA-N -1 1 337.173 2.950 20 10 EFCDMM CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184669832 474580032 /nfs/dbraw/zinc/58/00/32/474580032.db2.gz UQWBVFWXSWUODN-NSHDSACASA-N -1 1 327.808 2.829 20 10 EFCDMM CS[C@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277388191 474584456 /nfs/dbraw/zinc/58/44/56/474584456.db2.gz IUSVNSKBJCACET-MRVPVSSYSA-N -1 1 333.251 2.705 20 10 EFCDMM COCCC[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277555644 474590598 /nfs/dbraw/zinc/59/05/98/474590598.db2.gz OTKXKUHDHFMKQY-JTQLQIEISA-N -1 1 330.222 2.834 20 10 EFCDMM O=C(CC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000277639634 474593008 /nfs/dbraw/zinc/59/30/08/474593008.db2.gz XXRJFAOZPHYHNX-UHFFFAOYSA-N -1 1 328.206 2.588 20 10 EFCDMM COc1c([O-])c(CN2CCO[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278205090 474604105 /nfs/dbraw/zinc/60/41/05/474604105.db2.gz JOGTVTOIWHCRFJ-INIZCTEOSA-N -1 1 344.367 2.883 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000278489505 474659384 /nfs/dbraw/zinc/65/93/84/474659384.db2.gz YPVZNLWGZJUJIV-AWEZNQCLSA-N -1 1 345.370 2.711 20 10 EFCDMM CO[C@](C)(C(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000293330241 474931051 /nfs/dbraw/zinc/93/10/51/474931051.db2.gz OGMREPYWNYCQHZ-AWEZNQCLSA-N -1 1 328.206 2.586 20 10 EFCDMM COc1cc(C)c(CN(C)C(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000279208033 474964916 /nfs/dbraw/zinc/96/49/16/474964916.db2.gz NONBRIIAHCYVPC-UHFFFAOYSA-N -1 1 349.358 2.835 20 10 EFCDMM COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000273807398 475060965 /nfs/dbraw/zinc/06/09/65/475060965.db2.gz YDAOMAUALXTNGV-GFCCVEGCSA-N -1 1 345.848 2.535 20 10 EFCDMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])COCc1ccccc1 ZINC000294744531 475080362 /nfs/dbraw/zinc/08/03/62/475080362.db2.gz CPYZRCPNYATQDT-GFCCVEGCSA-N -1 1 333.359 2.820 20 10 EFCDMM COc1ccccc1OC[C@H](C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294790052 475083651 /nfs/dbraw/zinc/08/36/51/475083651.db2.gz BIMJXUSTGOCXNM-LLVKDONJSA-N -1 1 349.358 2.690 20 10 EFCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](c2ccsc2)O1 ZINC000295129569 475106544 /nfs/dbraw/zinc/10/65/44/475106544.db2.gz NJCQVWMCBCEBPU-ZANVPECISA-N -1 1 337.372 2.901 20 10 EFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@H]1OCCc2sccc21 ZINC000295427327 475125864 /nfs/dbraw/zinc/12/58/64/475125864.db2.gz VOYUYUBGCVZBIT-ANRSDYALSA-N -1 1 337.372 2.731 20 10 EFCDMM CCS[C@H](C)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273989162 475151676 /nfs/dbraw/zinc/15/16/76/475151676.db2.gz QDYVVUWRYGSJBQ-MRVPVSSYSA-N -1 1 343.430 2.628 20 10 EFCDMM O=C([N-]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F ZINC000377376955 476373796 /nfs/dbraw/zinc/37/37/96/476373796.db2.gz VWBXBEZFZDKDFZ-UHFFFAOYSA-N -1 1 338.276 2.935 20 10 EFCDMM [O-]c1ccc(Br)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000376730843 477478538 /nfs/dbraw/zinc/47/85/38/477478538.db2.gz ZVXDBWILYKPZCM-UHFFFAOYSA-N -1 1 336.233 2.977 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](COC(C)C)C2)c1[O-] ZINC000372127971 477652596 /nfs/dbraw/zinc/65/25/96/477652596.db2.gz IEKFTCUVXPNCOV-HNNXBMFYSA-N -1 1 341.835 2.874 20 10 EFCDMM C[C@H](NCc1cn(-c2ccccc2)nn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756743772 575783482 /nfs/dbraw/zinc/78/34/82/575783482.db2.gz VVYABVXISPNSNR-LBPRGKRZSA-N -1 1 339.355 2.732 20 10 EFCDMM CNC(=O)COc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757596394 575843899 /nfs/dbraw/zinc/84/38/99/575843899.db2.gz ZCZBBCHEAVUESN-SNVBAGLBSA-N -1 1 336.338 2.968 20 10 EFCDMM CNC(=O)COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757596392 575843949 /nfs/dbraw/zinc/84/39/49/575843949.db2.gz ZCZBBCHEAVUESN-JTQLQIEISA-N -1 1 336.338 2.968 20 10 EFCDMM Cc1ccccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000758293727 575865773 /nfs/dbraw/zinc/86/57/73/575865773.db2.gz NPGYLNANLZDEOM-UHFFFAOYSA-N -1 1 345.380 2.789 20 10 EFCDMM COCCc1nsc(NCc2cccc(Br)c2[O-])n1 ZINC000764934303 576525847 /nfs/dbraw/zinc/52/58/47/576525847.db2.gz KVPLFQBYRXRJNV-UHFFFAOYSA-N -1 1 344.234 2.807 20 10 EFCDMM Cc1nnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765217761 577019911 /nfs/dbraw/zinc/01/99/11/577019911.db2.gz LDCKLJRWQZEOBC-UHFFFAOYSA-N -1 1 343.206 2.636 20 10 EFCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000765731027 577071155 /nfs/dbraw/zinc/07/11/55/577071155.db2.gz WWYTZQLILADEFJ-ZCFIWIBFSA-N -1 1 326.112 2.969 20 10 EFCDMM CCc1ocnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765747969 577072210 /nfs/dbraw/zinc/07/22/10/577072210.db2.gz SCAKBEMOZDPYME-UHFFFAOYSA-N -1 1 325.162 2.635 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(F)n1 ZINC000765746741 577072278 /nfs/dbraw/zinc/07/22/78/577072278.db2.gz IJMHUIMVSUSJIZ-UHFFFAOYSA-N -1 1 325.137 2.619 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]c2ncccc12 ZINC000765770450 577074837 /nfs/dbraw/zinc/07/48/37/577074837.db2.gz RETLKPUSVNEVPE-UHFFFAOYSA-N -1 1 346.184 2.961 20 10 EFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000766047058 577101275 /nfs/dbraw/zinc/10/12/75/577101275.db2.gz DGASEOFXFCWNKS-UHFFFAOYSA-N -1 1 347.392 2.721 20 10 EFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000766047046 577101376 /nfs/dbraw/zinc/10/13/76/577101376.db2.gz CIXQIRXIUJUXQU-UHFFFAOYSA-N -1 1 342.376 2.944 20 10 EFCDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000766047034 577101391 /nfs/dbraw/zinc/10/13/91/577101391.db2.gz BZUXJRQMZOCZNE-UHFFFAOYSA-N -1 1 349.408 2.585 20 10 EFCDMM C[C@H]1COCCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000772825212 581372729 /nfs/dbraw/zinc/37/27/29/581372729.db2.gz QFVYFPDGCKPCEI-AWEZNQCLSA-N -1 1 341.407 2.940 20 10 EFCDMM C[C@H]1COCCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000772825212 581372730 /nfs/dbraw/zinc/37/27/30/581372730.db2.gz QFVYFPDGCKPCEI-AWEZNQCLSA-N -1 1 341.407 2.940 20 10 EFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000821516876 598151711 /nfs/dbraw/zinc/15/17/11/598151711.db2.gz UWUTWDZMWFLYLV-JTQLQIEISA-N -1 1 328.206 2.841 20 10 EFCDMM CN1CCN(c2ccc(CNc3cccc(CC(=O)[O-])c3)cc2)CC1 ZINC000820626946 598161651 /nfs/dbraw/zinc/16/16/51/598161651.db2.gz XFRJBEANBNRXJM-UHFFFAOYSA-N -1 1 339.439 2.678 20 10 EFCDMM COc1ccc([C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C(=O)[O-])cc1 ZINC000832252507 601151596 /nfs/dbraw/zinc/15/15/96/601151596.db2.gz ONGJWPMMUQINQO-MRXNPFEDSA-N -1 1 347.342 2.658 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1[O-] ZINC000851708261 1251211561 /nfs/dbraw/zinc/21/15/61/1251211561.db2.gz BZUURXPGRUOPCA-UGSOOPFHSA-N -1 1 335.375 2.811 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1[O-] ZINC000851708261 1251211569 /nfs/dbraw/zinc/21/15/69/1251211569.db2.gz BZUURXPGRUOPCA-UGSOOPFHSA-N -1 1 335.375 2.811 20 10 EFCDMM COC(=O)C[N@@H+](Cc1cc(Cl)c(C)cc1O)C1CCOCC1 ZINC000824894989 1278331190 /nfs/dbraw/zinc/33/11/90/1278331190.db2.gz NNOQBLXEZAWKEV-UHFFFAOYSA-N -1 1 327.808 2.508 20 10 EFCDMM O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1cc(F)c(F)cc1[O-] ZINC001273379365 1269282002 /nfs/dbraw/zinc/28/20/02/1269282002.db2.gz UNIHPOGYPFUPOM-INIZCTEOSA-N -1 1 346.324 2.502 20 10 EFCDMM Cc1ccc(C)n1-c1ccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1 ZINC001170219619 1278895438 /nfs/dbraw/zinc/89/54/38/1278895438.db2.gz SHUCCOVZIMJABB-UHFFFAOYSA-N -1 1 336.355 2.867 20 10 EFCDMM O=C(CNc1nc(Cl)ncc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001170313737 1279008039 /nfs/dbraw/zinc/00/80/39/1279008039.db2.gz CZBWONHJQGTFCT-UHFFFAOYSA-N -1 1 347.680 2.855 20 10 EFCDMM CC(C)(C)NC(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170315135 1279009075 /nfs/dbraw/zinc/00/90/75/1279009075.db2.gz QAEIENCHENBNCB-UHFFFAOYSA-N -1 1 342.395 2.921 20 10 EFCDMM CSc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc(C(F)F)n1 ZINC001170316434 1279009232 /nfs/dbraw/zinc/00/92/32/1279009232.db2.gz RBZPCCDFDBWRJG-UHFFFAOYSA-N -1 1 341.339 2.842 20 10 EFCDMM O=C(CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccc([O-])c(O)c1 ZINC001170314914 1279009451 /nfs/dbraw/zinc/00/94/51/1279009451.db2.gz KOPUPDIGNPRSSG-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM Cc1nc(Cl)nc(Cl)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314583 1279009688 /nfs/dbraw/zinc/00/96/88/1279009688.db2.gz FVUMNCJLPVZZGE-UHFFFAOYSA-N -1 1 328.155 2.798 20 10 EFCDMM O=C(CNc1cc(Cl)nc(C(F)(F)F)n1)c1ccc([O-])c(O)c1 ZINC001170314213 1279009852 /nfs/dbraw/zinc/00/98/52/1279009852.db2.gz SRWVKIXXVPWUHD-UHFFFAOYSA-N -1 1 347.680 2.855 20 10 EFCDMM O=C(CNc1nc(C2CC2)nc2c1CCC2)c1ccc([O-])c(O)c1 ZINC001170315632 1279010581 /nfs/dbraw/zinc/01/05/81/1279010581.db2.gz DIHIGCPGBMDEGJ-UHFFFAOYSA-N -1 1 325.368 2.549 20 10 EFCDMM O=C(CNc1cc2cccnc2c([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC001170321640 1279015626 /nfs/dbraw/zinc/01/56/26/1279015626.db2.gz BDOKWZCGXXJFIZ-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM O=C(CNc1ncnc2[nH]c3c(c21)CCCC3)c1ccc([O-])c(O)c1 ZINC001170316863 1279011872 /nfs/dbraw/zinc/01/18/72/1279011872.db2.gz RWSPKTJFKUUUBS-UHFFFAOYSA-N -1 1 338.367 2.543 20 10 EFCDMM O=C(CNc1ccc(F)c(-n2ccnc2)c1)c1ccc([O-])c(O)c1 ZINC001170320645 1279013054 /nfs/dbraw/zinc/01/30/54/1279013054.db2.gz GPBOPWOCAWTXJD-UHFFFAOYSA-N -1 1 327.315 2.717 20 10 EFCDMM CCOC(=O)c1ccc(C)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170323354 1279014774 /nfs/dbraw/zinc/01/47/74/1279014774.db2.gz YDMGRJXOTSKIHP-UHFFFAOYSA-N -1 1 329.352 2.878 20 10 EFCDMM O=C(CNc1ccnc2c1cccc2[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC001170323490 1279015134 /nfs/dbraw/zinc/01/51/34/1279015134.db2.gz ZRCFWYXTTOEOPG-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1[O-] ZINC000817874745 1276355533 /nfs/dbraw/zinc/35/55/33/1276355533.db2.gz PZNDFDDJALFTBB-JOYOIKCWSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1[O-] ZINC000817874745 1276355538 /nfs/dbraw/zinc/35/55/38/1276355538.db2.gz PZNDFDDJALFTBB-JOYOIKCWSA-N -1 1 325.792 2.791 20 10 EFCDMM C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000817880591 1276358023 /nfs/dbraw/zinc/35/80/23/1276358023.db2.gz AFOKXYPHPXVVGF-GXSJLCMTSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000817882103 1276360689 /nfs/dbraw/zinc/36/06/89/1276360689.db2.gz YKGYMWFLFUWCIR-MWLCHTKSSA-N -1 1 328.206 2.697 20 10 EFCDMM O=C(NCCOc1ccc(Cl)cc1)c1c(F)ccc(O)c1[O-] ZINC000789943653 1277106171 /nfs/dbraw/zinc/10/61/71/1277106171.db2.gz BGUTWCKUILOQOX-UHFFFAOYSA-N -1 1 325.723 2.699 20 10 EFCDMM O=C(NCc1ccccc1OC(F)F)c1c(F)ccc(O)c1[O-] ZINC000789946000 1277112823 /nfs/dbraw/zinc/11/28/23/1277112823.db2.gz BENJKWLLXBCGDS-UHFFFAOYSA-N -1 1 327.258 2.768 20 10 EFCDMM Cc1cc(C)c(NC(=O)CNC(=O)c2c(F)ccc(O)c2[O-])c(C)c1 ZINC000789955256 1277115220 /nfs/dbraw/zinc/11/52/20/1277115220.db2.gz WRUICCOBEWFMLN-UHFFFAOYSA-N -1 1 346.358 2.531 20 10 EFCDMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789977659 1277139019 /nfs/dbraw/zinc/13/90/19/1277139019.db2.gz WSPXLULUIIUNPA-MEBBXXQBSA-N -1 1 325.380 2.808 20 10 EFCDMM O=C(NCc1ccc(OC2CCCC2)nc1)c1c(F)ccc(O)c1[O-] ZINC000790069197 1277207019 /nfs/dbraw/zinc/20/70/19/1277207019.db2.gz NMPDVTGYEKDTRQ-UHFFFAOYSA-N -1 1 346.358 2.883 20 10 EFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000790411642 1277522817 /nfs/dbraw/zinc/52/28/17/1277522817.db2.gz LNDWGKKYZQMIPA-UHFFFAOYSA-N -1 1 347.392 2.966 20 10 EFCDMM O=C1CNC(=O)N1c1cc(NCc2cccc(Cl)c2[O-])ccc1F ZINC000793359386 1279567149 /nfs/dbraw/zinc/56/71/49/1279567149.db2.gz UFDXYKKNCZVQMO-UHFFFAOYSA-N -1 1 349.749 2.853 20 10 EFCDMM O=C(CCCCc1cn[nH]n1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807836571 1281448086 /nfs/dbraw/zinc/44/80/86/1281448086.db2.gz GBCBSFYVDIVRND-UHFFFAOYSA-N -1 1 343.214 2.846 20 10 EFCDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000811675951 1284503854 /nfs/dbraw/zinc/50/38/54/1284503854.db2.gz WWWFXOOUIQSSAZ-UHFFFAOYSA-N -1 1 327.789 2.993 20 10 EFCDMM O=C(CCc1cncs1)NCc1cccc(Br)c1[O-] ZINC000816496388 1288163284 /nfs/dbraw/zinc/16/32/84/1288163284.db2.gz IFPJXCLNXAFLFV-UHFFFAOYSA-N -1 1 341.230 2.860 20 10 EFCDMM Cc1nc(C(=O)NCc2cccc(Br)c2[O-])c(C)o1 ZINC000816496819 1288163604 /nfs/dbraw/zinc/16/36/04/1288163604.db2.gz YPUVODDGOACQMJ-UHFFFAOYSA-N -1 1 325.162 2.690 20 10 EFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000817356774 1288548207 /nfs/dbraw/zinc/54/82/07/1288548207.db2.gz TXOPWUAYIUOZMN-ZDUSSCGKSA-N -1 1 331.434 2.594 20 10 EFCDMM C[C@@H]1CSC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000805789989 1289012138 /nfs/dbraw/zinc/01/21/38/1289012138.db2.gz PIFHEESSYOCCKQ-LDYMZIIASA-N -1 1 345.262 2.705 20 10 EFCDMM O=S(=O)(Cc1cc(F)cc(F)c1)Nc1cc(F)c([O-])cc1F ZINC001185135056 1290601865 /nfs/dbraw/zinc/60/18/65/1290601865.db2.gz KLFMACUWBHBROO-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc(F)c(F)c1F ZINC001185350847 1290647981 /nfs/dbraw/zinc/64/79/81/1290647981.db2.gz YRHZNTZKLGPLHP-UHFFFAOYSA-N -1 1 340.257 2.520 20 10 EFCDMM CSc1ccccc1NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001186763959 1291015128 /nfs/dbraw/zinc/01/51/28/1291015128.db2.gz SBOGYZWVTGEKCQ-UHFFFAOYSA-N -1 1 332.381 2.824 20 10 EFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc(F)c(Cl)c1 ZINC001187713999 1291218560 /nfs/dbraw/zinc/21/85/60/1291218560.db2.gz XTZAUAWCUYSIEF-UHFFFAOYSA-N -1 1 338.722 2.895 20 10 EFCDMM Cc1cc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000094033905 1291266305 /nfs/dbraw/zinc/26/63/05/1291266305.db2.gz FMAMYACSLHDBJG-UHFFFAOYSA-N -1 1 348.424 2.941 20 10 EFCDMM CN(Cc1ccc(F)c(F)c1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001233078132 1312849735 /nfs/dbraw/zinc/84/97/35/1312849735.db2.gz HBDCMCNYFDTYJM-UHFFFAOYSA-N -1 1 328.359 2.722 20 10 EFCDMM CC(=O)c1cccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001189225948 1291622315 /nfs/dbraw/zinc/62/23/15/1291622315.db2.gz OVINHFJJEQGBMP-UHFFFAOYSA-N -1 1 327.308 2.674 20 10 EFCDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)c1 ZINC001189229780 1291622663 /nfs/dbraw/zinc/62/26/63/1291622663.db2.gz VVINUFZXFASTMW-UHFFFAOYSA-N -1 1 327.308 2.674 20 10 EFCDMM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1ccc([O-])c(F)c1F ZINC001189312447 1291668585 /nfs/dbraw/zinc/66/85/85/1291668585.db2.gz ZPWNCHVBXRADGD-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM Cc1ccccc1[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000826081299 1291843168 /nfs/dbraw/zinc/84/31/68/1291843168.db2.gz ZVQNMKQQWDICBI-HNNXBMFYSA-N -1 1 331.343 2.759 20 10 EFCDMM O=S(=O)(Cc1ccc(F)cc1F)Nc1ccc([O-])c(F)c1F ZINC001189813946 1291876682 /nfs/dbraw/zinc/87/66/82/1291876682.db2.gz IVDHRSZBIPHGBZ-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM O=S(=O)(Cc1ccc(F)cc1F)Nc1c(F)cc([O-])cc1F ZINC001189824425 1291883156 /nfs/dbraw/zinc/88/31/56/1291883156.db2.gz HEIMZUVNFUXVJB-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H]3C[C@H]32)c1 ZINC001233309028 1312899106 /nfs/dbraw/zinc/89/91/06/1312899106.db2.gz PVCAWTUMISJPSO-TVQRCGJNSA-N -1 1 340.217 2.926 20 10 EFCDMM CCOCc1cnc2n1CCN(Cc1c([O-])ccc(F)c1F)[C@@H]2C ZINC001233333385 1312905924 /nfs/dbraw/zinc/90/59/24/1312905924.db2.gz UERWVKCNSOEKBJ-LLVKDONJSA-N -1 1 337.370 2.980 20 10 EFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775405170 1292285290 /nfs/dbraw/zinc/28/52/90/1292285290.db2.gz ROPPABRCSGXUOF-SNVBAGLBSA-N -1 1 346.456 2.770 20 10 EFCDMM COC(=O)CC[C@@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233420073 1312928496 /nfs/dbraw/zinc/92/84/96/1312928496.db2.gz YQSXJWDSVCTGKE-GFCCVEGCSA-N -1 1 347.333 2.565 20 10 EFCDMM C[C@@H]1CN(C2CN(Cc3cccc(C(F)(F)F)c3[O-])C2)C[C@H](C)O1 ZINC001233419750 1312929110 /nfs/dbraw/zinc/92/91/10/1312929110.db2.gz LCWWGDJUVQFQEQ-TXEJJXNPSA-N -1 1 344.377 2.704 20 10 EFCDMM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418711 1312929148 /nfs/dbraw/zinc/92/91/48/1312929148.db2.gz RZQNDHGOLJXQCO-CYBMUJFWSA-N -1 1 345.317 2.508 20 10 EFCDMM O=C(C1CCC1)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418883 1312929181 /nfs/dbraw/zinc/92/91/81/1312929181.db2.gz ZUKRDKNFOFTTSY-UHFFFAOYSA-N -1 1 342.361 2.855 20 10 EFCDMM O=C(CNC(=O)c1ccncc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC001191910078 1292694891 /nfs/dbraw/zinc/69/48/91/1292694891.db2.gz VZQUTFBUSBVAHA-UHFFFAOYSA-N -1 1 348.358 2.773 20 10 EFCDMM Cc1ccc2c(c1)CC[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)O2 ZINC000796290784 1292773123 /nfs/dbraw/zinc/77/31/23/1292773123.db2.gz CSWAWXFEPGULFR-SFHVURJKSA-N -1 1 342.347 2.526 20 10 EFCDMM O=C(c1cc([O-])cc(F)c1F)N1CCCc2cc(O)c(O)cc2C1 ZINC001192665623 1293001091 /nfs/dbraw/zinc/00/10/91/1293001091.db2.gz QQNSGVGWXWINQF-UHFFFAOYSA-N -1 1 335.306 2.670 20 10 EFCDMM O=C(Nc1cnn2ccc(Cl)nc12)c1ccc(O)c([O-])c1Cl ZINC001193210334 1293198676 /nfs/dbraw/zinc/19/86/76/1293198676.db2.gz XRQDHIDBDNVRKK-UHFFFAOYSA-N -1 1 339.138 2.700 20 10 EFCDMM CC1(C)COc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)nn2C1 ZINC001193219938 1293199383 /nfs/dbraw/zinc/19/93/83/1293199383.db2.gz OATHIUMQBOSCOB-UHFFFAOYSA-N -1 1 337.763 2.619 20 10 EFCDMM Cc1cc(C)n2nc(NC(=O)c3ccc(O)c([O-])c3Cl)cc2n1 ZINC001193220031 1293200315 /nfs/dbraw/zinc/20/03/15/1293200315.db2.gz POQNVMCURLYRCG-UHFFFAOYSA-N -1 1 332.747 2.663 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC(c2ncccn2)CC1 ZINC001193225642 1293222427 /nfs/dbraw/zinc/22/24/27/1293222427.db2.gz QDKQAQCWZCQLKN-UHFFFAOYSA-N -1 1 333.775 2.561 20 10 EFCDMM CN1C(=O)NCc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc21 ZINC001193229721 1293225832 /nfs/dbraw/zinc/22/58/32/1293225832.db2.gz KOELXCKFFUACMC-UHFFFAOYSA-N -1 1 347.758 2.663 20 10 EFCDMM O=C(Nc1cccc(-n2nccn2)c1)c1ccc(O)c([O-])c1Cl ZINC001193230530 1293226728 /nfs/dbraw/zinc/22/67/28/1293226728.db2.gz UBSXJFKHZVNPQL-UHFFFAOYSA-N -1 1 330.731 2.584 20 10 EFCDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c1 ZINC001193435096 1293308988 /nfs/dbraw/zinc/30/89/88/1293308988.db2.gz ZOSUAMQTFKAPDA-UHFFFAOYSA-N -1 1 348.424 2.648 20 10 EFCDMM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193523622 1293343938 /nfs/dbraw/zinc/34/39/38/1293343938.db2.gz KHMLAEJDUPIKSI-UHFFFAOYSA-N -1 1 330.409 2.854 20 10 EFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132392095 1293657757 /nfs/dbraw/zinc/65/77/57/1293657757.db2.gz SQZPMMIOPUHRSG-UHFFFAOYSA-N -1 1 340.332 2.857 20 10 EFCDMM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000867126085 1294008788 /nfs/dbraw/zinc/00/87/88/1294008788.db2.gz UOBPLFSKWGFTDY-LLVKDONJSA-N -1 1 325.459 2.557 20 10 EFCDMM Cc1ccc(F)cc1NC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001195937754 1294072399 /nfs/dbraw/zinc/07/23/99/1294072399.db2.gz VQCICOQCIOBXJN-UHFFFAOYSA-N -1 1 334.372 2.715 20 10 EFCDMM O=C1CCCN1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775686726 1294143123 /nfs/dbraw/zinc/14/31/23/1294143123.db2.gz MLGBQYACHZQUBN-ZDUSSCGKSA-N -1 1 326.799 2.772 20 10 EFCDMM Cc1ccccc1-n1cnnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000004510180 1295107709 /nfs/dbraw/zinc/10/77/09/1295107709.db2.gz KSVJYYPZHFSRPR-UHFFFAOYSA-N -1 1 341.392 2.962 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001234473882 1313135866 /nfs/dbraw/zinc/13/58/66/1313135866.db2.gz LLOUFVXWXINPII-CYBMUJFWSA-N -1 1 329.308 2.755 20 10 EFCDMM COC(=O)[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccc(F)cc1 ZINC001234473339 1313135896 /nfs/dbraw/zinc/13/58/96/1313135896.db2.gz DLUMNHAGZVRPOE-INIZCTEOSA-N -1 1 334.299 2.733 20 10 EFCDMM CCOC(=O)C[C@H](Oc1cc([O-])c(O)cc1C(C)=O)C(F)(F)F ZINC001234473564 1313135990 /nfs/dbraw/zinc/13/59/90/1313135990.db2.gz HZYPIXBIERCBNC-LBPRGKRZSA-N -1 1 336.262 2.563 20 10 EFCDMM COC(=O)[C@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccccc1F ZINC001234476741 1313136756 /nfs/dbraw/zinc/13/67/56/1313136756.db2.gz OTKBJRSRVUTQOD-MRXNPFEDSA-N -1 1 334.299 2.733 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC(OCCCc2ccccc2)C1 ZINC000826639613 1295751018 /nfs/dbraw/zinc/75/10/18/1295751018.db2.gz YAJIJPFRBYIRBT-UHFFFAOYSA-N -1 1 345.370 2.711 20 10 EFCDMM C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@H]1CO ZINC001235058249 1313233150 /nfs/dbraw/zinc/23/31/50/1313233150.db2.gz ZWCIDCWZCGSWGK-ZANVPECISA-N -1 1 332.213 2.887 20 10 EFCDMM CCOC(=O)[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235303115 1313286085 /nfs/dbraw/zinc/28/60/85/1313286085.db2.gz KSQFITROORZHFW-SECBINFHSA-N -1 1 346.196 2.679 20 10 EFCDMM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(C)cc(Br)c1[O-] ZINC001236664352 1313505907 /nfs/dbraw/zinc/50/59/07/1313505907.db2.gz SUKJUQHITMRDRV-JQWIXIFHSA-N -1 1 346.196 2.549 20 10 EFCDMM COc1cc([O-])c(CN2CCn3c(nnc3C3CC3)C2)c(Cl)c1 ZINC001236800645 1313531058 /nfs/dbraw/zinc/53/10/58/1313531058.db2.gz AOQBYBHLPJKZRG-UHFFFAOYSA-N -1 1 334.807 2.539 20 10 EFCDMM COc1cc([O-])c(CN2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001236804752 1313532523 /nfs/dbraw/zinc/53/25/23/1313532523.db2.gz XTJKGNLCHVLOND-GFCCVEGCSA-N -1 1 325.714 2.817 20 10 EFCDMM COc1ccc(Cn2c3cc(C)nn3c(=O)cc2C)c([O-])c1Cl ZINC001236812124 1313535010 /nfs/dbraw/zinc/53/50/10/1313535010.db2.gz RRKHQLSKNVEBOG-UHFFFAOYSA-N -1 1 333.775 2.529 20 10 EFCDMM COC(=O)CC[C@@H]1COCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237087036 1313584474 /nfs/dbraw/zinc/58/44/74/1313584474.db2.gz SLIRNZRNWPGMQU-SNVBAGLBSA-N -1 1 348.226 2.853 20 10 EFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(Cc2ccccn2)CC1 ZINC001237124946 1313591355 /nfs/dbraw/zinc/59/13/55/1313591355.db2.gz SUYOXPOPNIPEIV-UHFFFAOYSA-N -1 1 335.810 2.898 20 10 EFCDMM CC(C)O[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000796417421 1299827443 /nfs/dbraw/zinc/82/74/43/1299827443.db2.gz RMGDDHSSRCRFNQ-SFHVURJKSA-N -1 1 344.363 2.990 20 10 EFCDMM CN1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001237617550 1313677877 /nfs/dbraw/zinc/67/78/77/1313677877.db2.gz BEZKROWNHWTACN-MRXNPFEDSA-N -1 1 326.799 2.772 20 10 EFCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001237616378 1313678481 /nfs/dbraw/zinc/67/84/81/1313678481.db2.gz BZTJEBSUHNLWGA-SCZZXKLOSA-N -1 1 327.705 2.787 20 10 EFCDMM CCNC(=O)OC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237622820 1313679079 /nfs/dbraw/zinc/67/90/79/1313679079.db2.gz BMBKCUOYICHRML-UHFFFAOYSA-N -1 1 330.787 2.895 20 10 EFCDMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCc2n[nH]nc21 ZINC000854476047 1300583043 /nfs/dbraw/zinc/58/30/43/1300583043.db2.gz ZWKWLEJOICVMSR-VIFPVBQESA-N -1 1 341.198 2.553 20 10 EFCDMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000776747660 1300612163 /nfs/dbraw/zinc/61/21/63/1300612163.db2.gz JDZAOKWJRFYPQH-UHFFFAOYSA-N -1 1 339.344 2.647 20 10 EFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C ZINC000776748332 1300612343 /nfs/dbraw/zinc/61/23/43/1300612343.db2.gz BGYBXOOMUNNITQ-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)ccc1O ZINC000776748690 1300626384 /nfs/dbraw/zinc/62/63/84/1300626384.db2.gz WRCYCFYAMCVWON-UHFFFAOYSA-N -1 1 339.344 2.647 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC000795344074 1300817513 /nfs/dbraw/zinc/81/75/13/1300817513.db2.gz DTIMKMINVHQCRD-UHFFFAOYSA-N -1 1 349.195 2.903 20 10 EFCDMM COC[C@H]1Cn2ccnc2CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237939529 1313733627 /nfs/dbraw/zinc/73/36/27/1313733627.db2.gz YCDKXQFMNIDROC-LLVKDONJSA-N -1 1 339.798 2.660 20 10 EFCDMM COC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2cn(C)nc21 ZINC001237939139 1313734066 /nfs/dbraw/zinc/73/40/66/1313734066.db2.gz TUMGKENKUXDEOA-LBPRGKRZSA-N -1 1 339.798 2.664 20 10 EFCDMM Cc1nn(-c2ccccn2)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000794689302 1302955932 /nfs/dbraw/zinc/95/59/32/1302955932.db2.gz AEFXZMWPJPTOCU-TWGQIWQCSA-N -1 1 336.829 2.718 20 10 EFCDMM CCCN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901052385 1309304474 /nfs/dbraw/zinc/30/44/74/1309304474.db2.gz IXDGLOKKHSRAEG-UHFFFAOYSA-N -1 1 327.384 2.818 20 10 EFCDMM CO[C@@H](CC(C)C)CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901962903 1311246903 /nfs/dbraw/zinc/24/69/03/1311246903.db2.gz NJXBTLQFNCPGPY-VIFPVBQESA-N -1 1 339.816 2.988 20 10 EFCDMM O=C([C@@H]1CC12CN(Cc1c(F)ccc(F)c1[O-])C2)N1CCCC12CC2 ZINC001276943369 1311338726 /nfs/dbraw/zinc/33/87/26/1311338726.db2.gz XYTLZXZBFSKHMB-ZDUSSCGKSA-N -1 1 348.393 2.647 20 10 EFCDMM O=C(CNC(F)(F)c1cccnc1Cl)c1ccc([O-])c(O)c1 ZINC001159271426 1311483821 /nfs/dbraw/zinc/48/38/21/1311483821.db2.gz ASIGVIJLLPGGKK-UHFFFAOYSA-N -1 1 328.702 2.668 20 10 EFCDMM O=C(CNc1nccc2cc(Cl)ncc21)c1ccc([O-])c(O)c1 ZINC001159276567 1311484434 /nfs/dbraw/zinc/48/44/34/1311484434.db2.gz KSVBTFLXQZEFPJ-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1nnc(Cl)c2ccccc21)c1ccc([O-])c(O)c1 ZINC001159276897 1311484563 /nfs/dbraw/zinc/48/45/63/1311484563.db2.gz OWMGTZPYDLMFEX-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1cnc2cccc(Cl)c2n1)c1ccc([O-])c(O)c1 ZINC001159276898 1311484723 /nfs/dbraw/zinc/48/47/23/1311484723.db2.gz OXDKUSVEWNQQII-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM Cc1cc(Cl)ncc1C(F)(F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001159276048 1311484893 /nfs/dbraw/zinc/48/48/93/1311484893.db2.gz DBKFLKAJRPTFCF-UHFFFAOYSA-N -1 1 342.729 2.976 20 10 EFCDMM Cc1cc(Cl)nc(NCC(=O)c2ccc([O-])c(O)c2)c1[N+](=O)[O-] ZINC001159276050 1311484933 /nfs/dbraw/zinc/48/49/33/1311484933.db2.gz DCQFPMSZSZCBCE-UHFFFAOYSA-N -1 1 337.719 2.658 20 10 EFCDMM O=C(CNc1cncc(-c2ccc(F)cc2)n1)c1ccc([O-])c(O)c1 ZINC001159280484 1311485469 /nfs/dbraw/zinc/48/54/69/1311485469.db2.gz TVGRSNHSKZDKQC-UHFFFAOYSA-N -1 1 339.326 2.989 20 10 EFCDMM O=C(CNc1cncc(N2CCCCCC2)n1)c1ccc([O-])c(O)c1 ZINC001159280551 1311485594 /nfs/dbraw/zinc/48/55/94/1311485594.db2.gz XHCWATYTFWFSJX-UHFFFAOYSA-N -1 1 342.399 2.563 20 10 EFCDMM CCO[C@@H](C)COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227576975 1311823875 /nfs/dbraw/zinc/82/38/75/1311823875.db2.gz GPTOVGMNMJPAMY-NSHDSACASA-N -1 1 326.348 2.971 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1CCCCC1=O ZINC001228111443 1311900789 /nfs/dbraw/zinc/90/07/89/1311900789.db2.gz UQQBDYAUAFLECY-INIZCTEOSA-N -1 1 342.347 2.925 20 10 EFCDMM CC[C@H](COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)OC ZINC001228112380 1311900862 /nfs/dbraw/zinc/90/08/62/1311900862.db2.gz YYVJRPDZNIOXSP-CYBMUJFWSA-N -1 1 332.352 2.838 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC1CCC(=O)CC1 ZINC001228116104 1311902019 /nfs/dbraw/zinc/90/20/19/1311902019.db2.gz UAEAVOQWWQTRFY-UHFFFAOYSA-N -1 1 342.347 2.925 20 10 EFCDMM CCO[C@@H](C)COc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229198231 1312060617 /nfs/dbraw/zinc/06/06/17/1312060617.db2.gz XUJIDOPIHUJAKI-JTQLQIEISA-N -1 1 342.347 2.677 20 10 EFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1OC1CC=CC1 ZINC001229787854 1312139442 /nfs/dbraw/zinc/13/94/42/1312139442.db2.gz YDRUKIDNAHGCPU-UHFFFAOYSA-N -1 1 344.319 2.543 20 10 EFCDMM Cc1c([O-])cc2c(c1O[C@@H]1CCN(C)C1)C(=O)c1ccccc1C2=O ZINC001229829862 1312146764 /nfs/dbraw/zinc/14/67/64/1312146764.db2.gz ZFHBBGPEWQYTPV-GFCCVEGCSA-N -1 1 337.375 2.559 20 10 EFCDMM Cc1c([O-])cc2c(c1O[C@H]1CCN(C)C1)C(=O)c1ccccc1C2=O ZINC001229829864 1312147169 /nfs/dbraw/zinc/14/71/69/1312147169.db2.gz ZFHBBGPEWQYTPV-LBPRGKRZSA-N -1 1 337.375 2.559 20 10 EFCDMM O=C([O-])c1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)c(O)c1 ZINC001231452875 1312501666 /nfs/dbraw/zinc/50/16/66/1312501666.db2.gz VYNGFXSWGFNFEM-UHFFFAOYSA-N -1 1 349.390 2.834 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CCN(Cc3cccc(F)c3)CC2)c1 ZINC001231562988 1312525738 /nfs/dbraw/zinc/52/57/38/1312525738.db2.gz CHTRVDGYPIUYQU-UHFFFAOYSA-N -1 1 344.386 2.547 20 10 EFCDMM COc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1C(=O)[O-] ZINC001231754635 1312560227 /nfs/dbraw/zinc/56/02/27/1312560227.db2.gz CEPZRUZIDGLADJ-UHFFFAOYSA-N -1 1 343.379 2.753 20 10 EFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232266293 1312662022 /nfs/dbraw/zinc/66/20/22/1312662022.db2.gz UDUISVXUZCAUQT-UHFFFAOYSA-N -1 1 328.796 2.761 20 10 EFCDMM CCCCCc1cc(=O)n([C@@](C)(Cc2ccc(O)c(O)c2)C(=O)[O-])[nH]1 ZINC001245943600 1314553028 /nfs/dbraw/zinc/55/30/28/1314553028.db2.gz LXCIGBCGWRHLLZ-SFHVURJKSA-N -1 1 348.399 2.775 20 10 EFCDMM Cc1ncc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c(C)n1 ZINC001251394805 1315345478 /nfs/dbraw/zinc/34/54/78/1315345478.db2.gz UMJMXPLLBRJGSJ-UHFFFAOYSA-N -1 1 348.211 2.907 20 10 EFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1C1CC1 ZINC001256047627 1315896012 /nfs/dbraw/zinc/89/60/12/1315896012.db2.gz CJGQEHSJNOKCSL-UHFFFAOYSA-N -1 1 329.352 2.891 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c(OC)c1 ZINC001258958724 1316197413 /nfs/dbraw/zinc/19/74/13/1316197413.db2.gz QBEHXWLQMXOQIW-UHFFFAOYSA-N -1 1 337.397 2.827 20 10 EFCDMM CN(C)c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC001259501221 1316252174 /nfs/dbraw/zinc/25/21/74/1316252174.db2.gz DEWVSCNYFTYUQD-UHFFFAOYSA-N -1 1 330.331 2.971 20 10 EFCDMM O=S(=O)(CCc1ccc(F)cc1)Nc1cc(F)c([O-])c(F)c1 ZINC001259760684 1316274114 /nfs/dbraw/zinc/27/41/14/1316274114.db2.gz OIIRGHADGZNELU-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM COc1ccc(CS(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001259900342 1316294721 /nfs/dbraw/zinc/29/47/21/1316294721.db2.gz QKMSKEGLXGVRBY-UHFFFAOYSA-N -1 1 329.324 2.621 20 10 EFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1 ZINC001260239154 1316325870 /nfs/dbraw/zinc/32/58/70/1316325870.db2.gz XHXZGOYQRYTJDB-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM COc1ccc(C)cc1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001260296911 1316329750 /nfs/dbraw/zinc/32/97/50/1316329750.db2.gz PSBQYJLUERTEPA-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM Cc1cc(F)c([N-]S(=O)(=O)c2cccc3nonc32)cc1F ZINC001260441568 1316338782 /nfs/dbraw/zinc/33/87/82/1316338782.db2.gz PJSQHIZXBJAIBT-UHFFFAOYSA-N -1 1 325.296 2.610 20 10 EFCDMM Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(F)c1F ZINC001260441213 1316339023 /nfs/dbraw/zinc/33/90/23/1316339023.db2.gz VDMASTBRACFXGS-UHFFFAOYSA-N -1 1 325.296 2.610 20 10 EFCDMM C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000399042846 1316423702 /nfs/dbraw/zinc/42/37/02/1316423702.db2.gz CQPPTTYCPZALGW-ONGXEEELSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000399042846 1316423706 /nfs/dbraw/zinc/42/37/06/1316423706.db2.gz CQPPTTYCPZALGW-ONGXEEELSA-N -1 1 328.206 2.697 20 10 EFCDMM CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)cc1F ZINC000904049058 1324862009 /nfs/dbraw/zinc/86/20/09/1324862009.db2.gz VPCAWIWTYINJMP-KRWDZBQOSA-N -1 1 348.422 2.629 20 10 EFCDMM O=C(COC(=O)c1cnn(C2CCCCC2)c1)c1ccc([O-])c(O)c1 ZINC001320878533 1329313813 /nfs/dbraw/zinc/31/38/13/1329313813.db2.gz IMNBGVYLBKIVLW-UHFFFAOYSA-N -1 1 344.367 2.839 20 10 EFCDMM Cc1ncccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC001323330258 1329535499 /nfs/dbraw/zinc/53/54/99/1329535499.db2.gz OTZGAMHIUDQZPK-UHFFFAOYSA-N -1 1 335.201 2.717 20 10 EFCDMM COc1ccc([C@@H]2C[C@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001333240144 1331098796 /nfs/dbraw/zinc/09/87/96/1331098796.db2.gz IEHPGCBZKFWTHN-LSDHHAIUSA-N -1 1 342.347 2.636 20 10 EFCDMM O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1nc(-c2ccccc2)c[nH]1 ZINC001343882875 1332388437 /nfs/dbraw/zinc/38/84/37/1332388437.db2.gz AOMRBULWSHWNJU-RVDMUPIBSA-N -1 1 330.347 2.538 20 10 EFCDMM O=C(Cn1ccnc1[C@H](O)C1CCCCC1)c1ccc([O-])c(O)c1 ZINC000849944048 1335816714 /nfs/dbraw/zinc/81/67/14/1335816714.db2.gz ZVAHEFLNGVYTTH-QGZVFWFLSA-N -1 1 330.384 2.791 20 10 EFCDMM Cc1cc(N(C)C)ccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737269728 1428833508 /nfs/dbraw/zinc/83/35/08/1428833508.db2.gz HJXYGLZXXXDSLE-UHFFFAOYSA-N -1 1 343.822 2.902 20 10 EFCDMM Cc1cc(N(C)C)ccc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000822206151 1428960138 /nfs/dbraw/zinc/96/01/38/1428960138.db2.gz VZFYAFYGCIIJJR-UHFFFAOYSA-N -1 1 340.406 2.670 20 10 EFCDMM Cc1cc(N(C)C)ccc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000822206151 1428960142 /nfs/dbraw/zinc/96/01/42/1428960142.db2.gz VZFYAFYGCIIJJR-UHFFFAOYSA-N -1 1 340.406 2.670 20 10 EFCDMM COc1ccc(N(C)CCOc2ccccc2-c2nnn[n-]2)cc1F ZINC000821827721 1425311434 /nfs/dbraw/zinc/31/14/34/1425311434.db2.gz JNDFBARFMSKNPO-UHFFFAOYSA-N -1 1 343.362 2.530 20 10 EFCDMM C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000825957858 1425852575 /nfs/dbraw/zinc/85/25/75/1425852575.db2.gz IJUAYNAHBSDWSI-UHFFFAOYSA-N -1 1 347.781 2.997 20 10 EFCDMM Cc1cc(N(C)C)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737270971 1426248073 /nfs/dbraw/zinc/24/80/73/1426248073.db2.gz PQEPNVUIJFBWMT-UHFFFAOYSA-N -1 1 349.442 2.737 20 10 EFCDMM COc1ccc(O)c([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737106187 1426487742 /nfs/dbraw/zinc/48/77/42/1426487742.db2.gz OWVFPGNLLHWCJG-VIFPVBQESA-N -1 1 329.335 2.893 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000737099261 1427115240 /nfs/dbraw/zinc/11/52/40/1427115240.db2.gz LDBLGSKFJGEKAD-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM CN(C)c1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000736779712 1427687978 /nfs/dbraw/zinc/68/79/78/1427687978.db2.gz LSJLZYNRBJIBFV-UHFFFAOYSA-N -1 1 345.410 2.515 20 10 EFCDMM Cc1ccnc(NCc2c(O)ccc3c2CCCC3)c1-c1nnn[n-]1 ZINC000826314077 1441682387 /nfs/dbraw/zinc/68/23/87/1441682387.db2.gz FJYOENLIJHFYOV-UHFFFAOYSA-N -1 1 336.399 2.767 20 10 EFCDMM Cc1cc(C(=O)N(C)C(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822167215 1442148795 /nfs/dbraw/zinc/14/87/95/1442148795.db2.gz BLWMBTKGIYACPK-UHFFFAOYSA-N -1 1 338.415 2.755 20 10 EFCDMM Cc1cc(C(=O)CSCCc2nnn[n-]2)c(C)n1-c1ccccc1 ZINC000882181571 1443206124 /nfs/dbraw/zinc/20/61/24/1443206124.db2.gz BYPSMXZADZRLPV-UHFFFAOYSA-N -1 1 341.440 2.766 20 10 EFCDMM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccc2F)c(OC)c1 ZINC000826209333 1446931840 /nfs/dbraw/zinc/93/18/40/1446931840.db2.gz XOEUVIFCCHWWIB-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM COc1ccc(O)c(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826210569 1449709444 /nfs/dbraw/zinc/70/94/44/1449709444.db2.gz WUCIOZVXDPRECN-UHFFFAOYSA-N -1 1 346.778 2.550 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C/c1cnc2ccc(Br)cn12 ZINC000255565548 715962767 /nfs/dbraw/zinc/96/27/67/715962767.db2.gz XLLAIAGEFDIJRI-FPYGCLRLSA-N -1 1 340.227 2.586 20 10 EFCDMM CN(CC(=O)NC1CC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893912125 720157097 /nfs/dbraw/zinc/15/70/97/720157097.db2.gz RYNXGWXVVLTJGI-UHFFFAOYSA-N -1 1 347.640 2.519 20 10 EFCDMM O=C([O-])CCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000840992915 724990919 /nfs/dbraw/zinc/99/09/19/724990919.db2.gz WEJXSIMKAPHDGK-UHFFFAOYSA-N -1 1 335.187 2.753 20 10 EFCDMM COC(=O)[C@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000750050150 723895209 /nfs/dbraw/zinc/89/52/09/723895209.db2.gz OAWPTAWXFDSASO-MRXNPFEDSA-N -1 1 325.792 2.680 20 10 EFCDMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)CC ZINC000840711617 723994259 /nfs/dbraw/zinc/99/42/59/723994259.db2.gz ASVQUFLXUNBRES-WQLSENKSSA-N -1 1 337.422 2.890 20 10 EFCDMM CC(C)Cc1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000910030350 727404691 /nfs/dbraw/zinc/40/46/91/727404691.db2.gz DSDHJLFTYGLDDB-UHFFFAOYSA-N -1 1 335.381 2.793 20 10 EFCDMM O=C([O-])CSCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000911743268 727591838 /nfs/dbraw/zinc/59/18/38/727591838.db2.gz FQVUVSNQAMVHCU-UHFFFAOYSA-N -1 1 338.212 2.523 20 10 EFCDMM O=C([O-])C12CC(C(=O)NCc3cc(Cl)cc(Cl)c3O)(C1)C2 ZINC000911744133 727591968 /nfs/dbraw/zinc/59/19/68/727591968.db2.gz LEYUJULVCLCEIY-UHFFFAOYSA-N -1 1 330.167 2.570 20 10 EFCDMM Cc1cc(C)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000055114393 727903101 /nfs/dbraw/zinc/90/31/01/727903101.db2.gz FJDZOTJGDIQYME-UHFFFAOYSA-N -1 1 334.397 2.633 20 10 EFCDMM CC(C)CN1C(=O)C(=CNc2ccccc2Cl)C(=O)[N-]C1=S ZINC000920976639 729249974 /nfs/dbraw/zinc/24/99/74/729249974.db2.gz MWKYPUITTNKKOK-JXMROGBWSA-N -1 1 337.832 2.535 20 10 EFCDMM O=C(NCCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180754628 729767594 /nfs/dbraw/zinc/76/75/94/729767594.db2.gz XXLANYBVIMORFK-UHFFFAOYSA-N -1 1 341.285 2.795 20 10 EFCDMM C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)[C@@H]1C(=O)[O-] ZINC001589334630 953980863 /nfs/dbraw/zinc/98/08/63/953980863.db2.gz QNUCKEGQIKDFCK-RNCFNFMXSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)[C@@H]1C(=O)[O-] ZINC001589334630 953980868 /nfs/dbraw/zinc/98/08/68/953980868.db2.gz QNUCKEGQIKDFCK-RNCFNFMXSA-N -1 1 328.206 2.840 20 10 EFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715762537 955117204 /nfs/dbraw/zinc/11/72/04/955117204.db2.gz QYMGRXNXCHVQJN-SECBINFHSA-N -1 1 346.196 2.981 20 10 EFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715762539 955117333 /nfs/dbraw/zinc/11/73/33/955117333.db2.gz QYMGRXNXCHVQJN-VIFPVBQESA-N -1 1 346.196 2.981 20 10 EFCDMM CC(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000848590630 955763356 /nfs/dbraw/zinc/76/33/56/955763356.db2.gz NVDSAPWLLFSJNG-SNVBAGLBSA-N -1 1 349.214 2.855 20 10 EFCDMM O=C([O-])CC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC001574671594 962553580 /nfs/dbraw/zinc/55/35/80/962553580.db2.gz QWAIWZRMCXZVGS-UHFFFAOYSA-N -1 1 332.183 2.960 20 10 EFCDMM C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706674448 969018120 /nfs/dbraw/zinc/01/81/20/969018120.db2.gz ZFLUMEJIKFUCOU-ZJUUUORDSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706674448 969018130 /nfs/dbraw/zinc/01/81/30/969018130.db2.gz ZFLUMEJIKFUCOU-ZJUUUORDSA-N -1 1 328.206 2.697 20 10 EFCDMM O=C([O-])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708073162 969033269 /nfs/dbraw/zinc/03/32/69/969033269.db2.gz YXAMJXIDUMZOBI-SSDOTTSWSA-N -1 1 334.597 2.715 20 10 EFCDMM CC(C)N(Cc1cc(C(=O)[O-])nn1C)Cc1ccc(N(C)C)cc1 ZINC000874036075 969362131 /nfs/dbraw/zinc/36/21/31/969362131.db2.gz BVMQDFFMCXCUEA-UHFFFAOYSA-N -1 1 330.432 2.595 20 10 EFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001605101915 972755026 /nfs/dbraw/zinc/75/50/26/972755026.db2.gz IORSXAHJDUYHJG-AWEZNQCLSA-N -1 1 328.206 2.902 20 10 EFCDMM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(Br)cc1O ZINC000691424162 976354547 /nfs/dbraw/zinc/35/45/47/976354547.db2.gz SGAQSTDBHFOEST-LLVKDONJSA-N -1 1 346.246 2.547 20 10 EFCDMM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424162 976354561 /nfs/dbraw/zinc/35/45/61/976354561.db2.gz SGAQSTDBHFOEST-LLVKDONJSA-N -1 1 346.246 2.547 20 10 EFCDMM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424162 976354574 /nfs/dbraw/zinc/35/45/74/976354574.db2.gz SGAQSTDBHFOEST-LLVKDONJSA-N -1 1 346.246 2.547 20 10 EFCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Br)cc(F)c1[O-] ZINC000715762542 977781131 /nfs/dbraw/zinc/78/11/31/977781131.db2.gz RAPJSKYDCHNVNV-UHFFFAOYSA-N -1 1 334.185 2.979 20 10 EFCDMM O=C([O-])CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000843037212 979329755 /nfs/dbraw/zinc/32/97/55/979329755.db2.gz WKQZHDAIVJYWND-UHFFFAOYSA-N -1 1 331.771 2.640 20 10 EFCDMM O=C([O-])[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864517479 979942593 /nfs/dbraw/zinc/94/25/93/979942593.db2.gz WJBZYKRNXLZAIZ-SKDRFNHKSA-N -1 1 328.206 2.888 20 10 EFCDMM CN(C)c1ccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1F ZINC000901787548 980517504 /nfs/dbraw/zinc/51/75/04/980517504.db2.gz BHZZPBHMRXBKTC-CQSZACIVSA-N -1 1 334.313 2.731 20 10 EFCDMM CCOCCC[N@@H+](Cc1ccc(Cl)cc1[O-])C[C@@H](C)C(=O)[O-] ZINC001596915202 985941047 /nfs/dbraw/zinc/94/10/47/985941047.db2.gz URTZLYQWVAKWAJ-GFCCVEGCSA-N -1 1 329.824 2.995 20 10 EFCDMM CCOCCC[N@H+](Cc1ccc(Cl)cc1[O-])C[C@@H](C)C(=O)[O-] ZINC001596915202 985941050 /nfs/dbraw/zinc/94/10/50/985941050.db2.gz URTZLYQWVAKWAJ-GFCCVEGCSA-N -1 1 329.824 2.995 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CC(=O)[O-])c2ccccn2)c1[O-] ZINC001589271269 985971471 /nfs/dbraw/zinc/97/14/71/985971471.db2.gz WDMPOCAURNSUEF-GOSISDBHSA-N -1 1 346.358 2.609 20 10 EFCDMM C[C@@H](NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1ccccc1O ZINC001599841822 988851720 /nfs/dbraw/zinc/85/17/20/988851720.db2.gz ONBORVCBMHUBDW-SNVBAGLBSA-N -1 1 339.351 2.590 20 10 EFCDMM COc1ccc(N2CCC[N@@H+](Cc3cccc(C(=O)[O-])n3)CC2)cc1 ZINC001599585521 993608031 /nfs/dbraw/zinc/60/80/31/993608031.db2.gz UKUFXPJAYLYSQQ-UHFFFAOYSA-N -1 1 341.411 2.501 20 10 EFCDMM C[C@H]([NH2+][C@@H]1CC=C(C(=O)[O-])C1)c1cc(Br)ccc1[O-] ZINC001593219139 994297122 /nfs/dbraw/zinc/29/71/22/994297122.db2.gz KCOMFBZYBWPBIY-GZMMTYOYSA-N -1 1 326.190 2.979 20 10 EFCDMM C[C@@H](NCc1nccn1CC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593316998 994814790 /nfs/dbraw/zinc/81/47/90/994814790.db2.gz LMQYHVZPTIQXNU-SECBINFHSA-N -1 1 343.305 2.700 20 10 EFCDMM C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@H](C(=O)[O-])C1 ZINC001594422687 999575562 /nfs/dbraw/zinc/57/55/62/999575562.db2.gz HMQJKSDSJUMRNA-SKDRFNHKSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@H](C(=O)[O-])C1 ZINC001594422687 999575564 /nfs/dbraw/zinc/57/55/64/999575564.db2.gz HMQJKSDSJUMRNA-SKDRFNHKSA-N -1 1 328.206 2.840 20 10 EFCDMM COc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1-c1nn[nH]n1 ZINC001580046247 1090753481 /nfs/dbraw/zinc/75/34/81/1090753481.db2.gz ISWSJEZGENHTJW-UHFFFAOYSA-N -1 1 349.753 2.986 20 10 EFCDMM CC[C@@H](Nc1cccc(CCO)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590473545 1093446316 /nfs/dbraw/zinc/44/63/16/1093446316.db2.gz PUBRFAGWRFNQSA-MRXNPFEDSA-N -1 1 339.399 2.670 20 10 EFCDMM O=C([O-])c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC001602433156 1096243341 /nfs/dbraw/zinc/24/33/41/1096243341.db2.gz PKODDZJSVGXCBF-UHFFFAOYSA-N -1 1 341.150 2.722 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)c1[O-] ZINC001603103585 1096442112 /nfs/dbraw/zinc/44/21/12/1096442112.db2.gz RMWBFBHAAQVPPA-MWLCHTKSSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)c1[O-] ZINC001603103585 1096442118 /nfs/dbraw/zinc/44/21/18/1096442118.db2.gz RMWBFBHAAQVPPA-MWLCHTKSSA-N -1 1 325.792 2.933 20 10 EFCDMM C[C@@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC001604323376 1096809980 /nfs/dbraw/zinc/80/99/80/1096809980.db2.gz ZLJDYMVPYGKANF-VXGBXAGGSA-N -1 1 344.415 2.820 20 10 EFCDMM C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001604753626 1096947935 /nfs/dbraw/zinc/94/79/35/1096947935.db2.gz FWNJNPITNVRTIP-BXKDBHETSA-N -1 1 328.206 2.840 20 10 EFCDMM Cc1cc([O-])c(C[NH2+][C@H]2CCCn3nc(C(=O)[O-])cc32)cc1Cl ZINC001607700101 1097703086 /nfs/dbraw/zinc/70/30/86/1097703086.db2.gz SIZYUKYFHYSCHK-LBPRGKRZSA-N -1 1 335.791 2.873 20 10 EFCDMM Cc1cc([O-])c(C[NH2+][C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1Cl ZINC001607700100 1097703191 /nfs/dbraw/zinc/70/31/91/1097703191.db2.gz SIZYUKYFHYSCHK-GFCCVEGCSA-N -1 1 335.791 2.873 20 10 EFCDMM [O-]c1cc(F)c(F)cc1CN1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001142508988 1106040503 /nfs/dbraw/zinc/04/05/03/1106040503.db2.gz RVVLZJNUEQJYNV-RYUDHWBXSA-N -1 1 329.240 2.508 20 10 EFCDMM O=C(COC(=O)c1cc(F)cc(Cl)c1O)c1ccc([O-])c(O)c1 ZINC000783951317 1108946506 /nfs/dbraw/zinc/94/65/06/1108946506.db2.gz RQSQUBJQUHRTCF-UHFFFAOYSA-N -1 1 340.690 2.636 20 10 EFCDMM [O-]c1c(Br)cc(F)cc1CN1CC[C@H](O)[C@@H](F)CC1 ZINC001235299565 1111731080 /nfs/dbraw/zinc/73/10/80/1111731080.db2.gz VTNWGMQILXDHQE-RYUDHWBXSA-N -1 1 336.176 2.589 20 10 EFCDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1F ZINC000184616363 1119270648 /nfs/dbraw/zinc/27/06/48/1119270648.db2.gz VECMVWLMUUWDAF-UHFFFAOYSA-N -1 1 344.295 2.688 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCCO1 ZINC000277288821 295694839 /nfs/dbraw/zinc/69/48/39/295694839.db2.gz BKLFURJKQLSMQG-LLVKDONJSA-N -1 1 343.221 2.523 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000248510645 240291909 /nfs/dbraw/zinc/29/19/09/240291909.db2.gz AJDMOPQRHHCDHQ-RLCCDNCMSA-N -1 1 335.375 2.952 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000248510645 240291917 /nfs/dbraw/zinc/29/19/17/240291917.db2.gz AJDMOPQRHHCDHQ-RLCCDNCMSA-N -1 1 335.375 2.952 20 10 EFCDMM CCC(CC)[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000276642366 240771760 /nfs/dbraw/zinc/77/17/60/240771760.db2.gz VBQRGXQBFKXZNR-BXUZGUMPSA-N -1 1 325.380 2.951 20 10 EFCDMM COCCCOc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000296166304 241076067 /nfs/dbraw/zinc/07/60/67/241076067.db2.gz KSTHUCYHQWYBJJ-UHFFFAOYSA-N -1 1 349.358 2.582 20 10 EFCDMM CCC[C@H](CNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000296983528 241106344 /nfs/dbraw/zinc/10/63/44/241106344.db2.gz TXQLNTRDDJMHIW-LLVKDONJSA-N -1 1 345.237 2.769 20 10 EFCDMM CN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1=S ZINC000084596479 276871515 /nfs/dbraw/zinc/87/15/15/276871515.db2.gz QFHGXSFFGFZIMM-UITAMQMPSA-N -1 1 330.228 2.986 20 10 EFCDMM COc1c([O-])c(CN2CCO[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278205092 277364961 /nfs/dbraw/zinc/36/49/61/277364961.db2.gz JOGTVTOIWHCRFJ-MRXNPFEDSA-N -1 1 344.367 2.883 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2nncn2C)c1[O-] ZINC000156939566 472769444 /nfs/dbraw/zinc/76/94/44/472769444.db2.gz HAPJFJQCFLZBNY-AWEZNQCLSA-N -1 1 334.807 2.714 20 10 EFCDMM COc1cc(Br)cc(C[N@H+]2CCCO[C@H](C)C2)c1O ZINC000179394802 473683490 /nfs/dbraw/zinc/68/34/90/473683490.db2.gz VBRMFIRDUMQRIW-SNVBAGLBSA-N -1 1 330.222 2.774 20 10 EFCDMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000282062898 473934591 /nfs/dbraw/zinc/93/45/91/473934591.db2.gz MKUCUPCNGNXDDF-KKFJDGPESA-N -1 1 328.206 2.584 20 10 EFCDMM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2c(O)cccc2Cl)C1 ZINC000289209915 474184153 /nfs/dbraw/zinc/18/41/53/474184153.db2.gz BXNKQJYSIHJLLG-CYBMUJFWSA-N -1 1 337.725 2.973 20 10 EFCDMM CCCOc1ccc(C[N@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)c(O)c1 ZINC000289209964 474184608 /nfs/dbraw/zinc/18/46/08/474184608.db2.gz BXUKXTXYTHNMBQ-ODIUBACGSA-N -1 1 325.474 2.912 20 10 EFCDMM C[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277457998 474586795 /nfs/dbraw/zinc/58/67/95/474586795.db2.gz GRURTQLPHXTZFA-NXEZZACHSA-N -1 1 328.206 2.586 20 10 EFCDMM O=C(NCCc1nc2c(s1)CCCC2)c1c(F)ccc(O)c1[O-] ZINC000276645772 474567336 /nfs/dbraw/zinc/56/73/36/474567336.db2.gz VWEOPLCMEPHYHW-UHFFFAOYSA-N -1 1 336.388 2.545 20 10 EFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000276891959 474572928 /nfs/dbraw/zinc/57/29/28/474572928.db2.gz MWWWXRPHSADJFR-UHFFFAOYSA-N -1 1 337.397 2.909 20 10 EFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000276941130 474574218 /nfs/dbraw/zinc/57/42/18/474574218.db2.gz SFAAEMIUZYNLDL-UHFFFAOYSA-N -1 1 349.408 2.917 20 10 EFCDMM O=C1N[C@H](c2cc(Cl)c3ccccc3c2[O-])N2CCSC[C@H]12 ZINC000271581439 474581603 /nfs/dbraw/zinc/58/16/03/474581603.db2.gz CFNUNSXVFHBZDD-HIFRSBDPSA-N -1 1 334.828 2.745 20 10 EFCDMM CO[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000277374028 474582888 /nfs/dbraw/zinc/58/28/88/474582888.db2.gz HTMBMRUEABQQKG-GFCCVEGCSA-N -1 1 345.237 2.625 20 10 EFCDMM Cc1ccccc1CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000277469548 474585577 /nfs/dbraw/zinc/58/55/77/474585577.db2.gz NFMMHAQTPXRBHQ-UHFFFAOYSA-N -1 1 344.386 2.503 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CSCCS1 ZINC000277440908 474586308 /nfs/dbraw/zinc/58/63/08/474586308.db2.gz FJTLYAIKHMWEBO-SNVBAGLBSA-N -1 1 348.287 2.620 20 10 EFCDMM O=C(C[C@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277477969 474587946 /nfs/dbraw/zinc/58/79/46/474587946.db2.gz IMHGOPHUDJLFCH-LLVKDONJSA-N -1 1 328.206 2.730 20 10 EFCDMM O=C(CC[C@@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000277561319 474590295 /nfs/dbraw/zinc/59/02/95/474590295.db2.gz PLAGIJHQYPXTHF-NSHDSACASA-N -1 1 328.206 2.730 20 10 EFCDMM CC[C@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277635607 474591423 /nfs/dbraw/zinc/59/14/23/474591423.db2.gz XMAIOEMBDRMQGM-PWSUYJOCSA-N -1 1 342.233 2.976 20 10 EFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@H]1OCCc2sccc21 ZINC000295427344 475125814 /nfs/dbraw/zinc/12/58/14/475125814.db2.gz VOYUYUBGCVZBIT-VXJOIVPMSA-N -1 1 337.372 2.731 20 10 EFCDMM Cn1cc(-c2ccnc(NCc3c([O-])ccc(Cl)c3F)n2)cn1 ZINC000370552174 476868735 /nfs/dbraw/zinc/86/87/35/476868735.db2.gz PREPDOXQFJRGAC-UHFFFAOYSA-N -1 1 333.754 2.987 20 10 EFCDMM C[C@H]1COCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000753987014 575371069 /nfs/dbraw/zinc/37/10/69/575371069.db2.gz QNUHENCCGHOBGE-CQSZACIVSA-N -1 1 341.407 2.797 20 10 EFCDMM C[C@H]1COCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000753987014 575371071 /nfs/dbraw/zinc/37/10/71/575371071.db2.gz QNUHENCCGHOBGE-CQSZACIVSA-N -1 1 341.407 2.797 20 10 EFCDMM C[C@H](NCc1nncn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756401593 575731147 /nfs/dbraw/zinc/73/11/47/575731147.db2.gz IWZMNOFJTWTKOK-LBPRGKRZSA-N -1 1 339.355 2.732 20 10 EFCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)c(Br)c1O ZINC000761015619 576101329 /nfs/dbraw/zinc/10/13/29/576101329.db2.gz OVOHUIJBHPXCMF-QPJJXVBHSA-N -1 1 346.227 2.652 20 10 EFCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)c(Br)c1O ZINC000761015618 576101382 /nfs/dbraw/zinc/10/13/82/576101382.db2.gz OVOHUIJBHPXCMF-DAXSKMNVSA-N -1 1 346.227 2.652 20 10 EFCDMM COC[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000764781671 576503100 /nfs/dbraw/zinc/50/31/00/576503100.db2.gz BBOVAULJQXLVIJ-LBPRGKRZSA-N -1 1 345.237 2.625 20 10 EFCDMM Cc1nccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765341935 577034054 /nfs/dbraw/zinc/03/40/54/577034054.db2.gz ABCHLMILHXMTTN-UHFFFAOYSA-N -1 1 337.177 2.575 20 10 EFCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000765731026 577071127 /nfs/dbraw/zinc/07/11/27/577071127.db2.gz WWYTZQLILADEFJ-LURJTMIESA-N -1 1 326.112 2.969 20 10 EFCDMM Cc1noc(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765735634 577071510 /nfs/dbraw/zinc/07/15/10/577071510.db2.gz ICBDOLKEOGNATG-UHFFFAOYSA-N -1 1 325.162 2.690 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H](O)c1ccccc1 ZINC000765733272 577071534 /nfs/dbraw/zinc/07/15/34/577071534.db2.gz WOGFYVMXAKMJNC-AWEZNQCLSA-N -1 1 336.185 2.505 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H](O)C1CCCCC1 ZINC000765751178 577072565 /nfs/dbraw/zinc/07/25/65/577072565.db2.gz QWOXXCXXCLDPAT-CQSZACIVSA-N -1 1 342.233 2.712 20 10 EFCDMM CCOC1CC(CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765754152 577072908 /nfs/dbraw/zinc/07/29/08/577072908.db2.gz RTJQOGHNAMUHCB-UHFFFAOYSA-N -1 1 342.233 2.976 20 10 EFCDMM O=C(CCc1nccs1)NCc1cccc(Br)c1[O-] ZINC000765754920 577072947 /nfs/dbraw/zinc/07/29/47/577072947.db2.gz YHFNMXRMZSDSQZ-UHFFFAOYSA-N -1 1 341.230 2.860 20 10 EFCDMM O=C(NCc1cccc(Br)c1O)c1c([O-])cccc1F ZINC000765766411 577074035 /nfs/dbraw/zinc/07/40/35/577074035.db2.gz WGSTVQHAXCTREC-UHFFFAOYSA-N -1 1 340.148 2.929 20 10 EFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000766048491 577101582 /nfs/dbraw/zinc/10/15/82/577101582.db2.gz UDWRGCFZFUJLDX-JTQLQIEISA-N -1 1 347.392 2.719 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1C ZINC000766048892 577101747 /nfs/dbraw/zinc/10/17/47/577101747.db2.gz XMCYHWWPGMJOBI-UHFFFAOYSA-N -1 1 335.381 2.713 20 10 EFCDMM COc1ccc(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)cc1F ZINC000768250484 577262989 /nfs/dbraw/zinc/26/29/89/577262989.db2.gz ZQWFNXOFBILSJN-UHFFFAOYSA-N -1 1 348.349 2.641 20 10 EFCDMM O=C([O-])C[N@H+](CCOCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000739793726 577354339 /nfs/dbraw/zinc/35/43/39/577354339.db2.gz OIPWKWPWSTWZSI-UHFFFAOYSA-N -1 1 341.713 2.511 20 10 EFCDMM O=C([O-])C[N@@H+](CCOCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000739793726 577354342 /nfs/dbraw/zinc/35/43/42/577354342.db2.gz OIPWKWPWSTWZSI-UHFFFAOYSA-N -1 1 341.713 2.511 20 10 EFCDMM CCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000770262741 577408883 /nfs/dbraw/zinc/40/88/83/577408883.db2.gz CQVICFIEUXQFOL-UHFFFAOYSA-N -1 1 348.424 2.887 20 10 EFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000821515399 598151552 /nfs/dbraw/zinc/15/15/52/598151552.db2.gz HZYREQQILPHBOZ-SECBINFHSA-N -1 1 328.752 2.641 20 10 EFCDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000738521035 600312965 /nfs/dbraw/zinc/31/29/65/600312965.db2.gz XSBNWFKJSMHYCJ-CYBMUJFWSA-N -1 1 342.395 2.858 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)Cc1ccccc1 ZINC000739794118 600315495 /nfs/dbraw/zinc/31/54/95/600315495.db2.gz SLKCQBMWCPGCCU-MRXNPFEDSA-N -1 1 349.814 2.536 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)Cc1ccccc1 ZINC000739794118 600315497 /nfs/dbraw/zinc/31/54/97/600315497.db2.gz SLKCQBMWCPGCCU-MRXNPFEDSA-N -1 1 349.814 2.536 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)Cc1ccccc1 ZINC000739794117 600315607 /nfs/dbraw/zinc/31/56/07/600315607.db2.gz SLKCQBMWCPGCCU-INIZCTEOSA-N -1 1 349.814 2.536 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)Cc1ccccc1 ZINC000739794117 600315610 /nfs/dbraw/zinc/31/56/10/600315610.db2.gz SLKCQBMWCPGCCU-INIZCTEOSA-N -1 1 349.814 2.536 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1O ZINC000825946733 601151809 /nfs/dbraw/zinc/15/18/09/601151809.db2.gz NXHDHHXKPGSHAF-INIZCTEOSA-N -1 1 331.343 2.992 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825946733 601151812 /nfs/dbraw/zinc/15/18/12/601151812.db2.gz NXHDHHXKPGSHAF-INIZCTEOSA-N -1 1 331.343 2.992 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825946733 601151814 /nfs/dbraw/zinc/15/18/14/601151814.db2.gz NXHDHHXKPGSHAF-INIZCTEOSA-N -1 1 331.343 2.992 20 10 EFCDMM CC(=O)c1cc(F)cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])c1O ZINC000825946515 601545655 /nfs/dbraw/zinc/54/56/55/601545655.db2.gz BZHFRRCQWKGXQC-KRWDZBQOSA-N -1 1 343.354 2.918 20 10 EFCDMM C[C@@H](C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1)C(=O)[O-] ZINC000833516128 605750832 /nfs/dbraw/zinc/75/08/32/605750832.db2.gz FCHAJKLVWAZWFZ-QMMMGPOBSA-N -1 1 328.752 2.639 20 10 EFCDMM Nc1ncccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001212401508 1259563284 /nfs/dbraw/zinc/56/32/84/1259563284.db2.gz AFOKKRNVXPLDHX-UHFFFAOYSA-N -1 1 331.331 2.888 20 10 EFCDMM CCNC(=O)CN(CC)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708147367 1259678472 /nfs/dbraw/zinc/67/84/72/1259678472.db2.gz ZELGBUOGJWEBLL-UHFFFAOYSA-N -1 1 349.656 2.766 20 10 EFCDMM CC(C)CN1CC[C@@]2(CCCN2Cc2c(F)ccc(F)c2[O-])C1=O ZINC001273205672 1263250873 /nfs/dbraw/zinc/25/08/73/1263250873.db2.gz BKOAMVCNJPZXHF-SFHVURJKSA-N -1 1 338.398 2.893 20 10 EFCDMM COC[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000739869317 1268766752 /nfs/dbraw/zinc/76/67/52/1268766752.db2.gz HALWSHFVWUBCNC-CQSZACIVSA-N -1 1 341.407 2.797 20 10 EFCDMM COC[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000739869317 1268766755 /nfs/dbraw/zinc/76/67/55/1268766755.db2.gz HALWSHFVWUBCNC-CQSZACIVSA-N -1 1 341.407 2.797 20 10 EFCDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)nc(C)c1CC(C)C ZINC001170316204 1279009040 /nfs/dbraw/zinc/00/90/40/1279009040.db2.gz OCSXSIMTHLYSKH-UHFFFAOYSA-N -1 1 329.400 2.998 20 10 EFCDMM Cc1noc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)c1N ZINC001170322661 1279014766 /nfs/dbraw/zinc/01/47/66/1279014766.db2.gz KUDNCDFPTLJTEH-UHFFFAOYSA-N -1 1 339.351 2.938 20 10 EFCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1N1CCOCC1 ZINC001170322318 1279015056 /nfs/dbraw/zinc/01/50/56/1279015056.db2.gz KCCXMLABUPSSPO-UHFFFAOYSA-N -1 1 342.395 2.538 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817874746 1276355434 /nfs/dbraw/zinc/35/54/34/1276355434.db2.gz PZNDFDDJALFTBB-SKDRFNHKSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817874746 1276355440 /nfs/dbraw/zinc/35/54/40/1276355440.db2.gz PZNDFDDJALFTBB-SKDRFNHKSA-N -1 1 325.792 2.791 20 10 EFCDMM C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000817882104 1276360457 /nfs/dbraw/zinc/36/04/57/1276360457.db2.gz YKGYMWFLFUWCIR-ONGXEEELSA-N -1 1 328.206 2.697 20 10 EFCDMM CCCC(=O)Nc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789957722 1277119411 /nfs/dbraw/zinc/11/94/11/1277119411.db2.gz WEJLSHPOMGYQBE-UHFFFAOYSA-N -1 1 346.358 2.906 20 10 EFCDMM Cc1cccc2c(CCNC(=O)c3c(F)ccc(O)c3[O-])c[nH]c21 ZINC000789981540 1277141381 /nfs/dbraw/zinc/14/13/81/1277141381.db2.gz QGPZOVBJULNFET-UHFFFAOYSA-N -1 1 328.343 2.999 20 10 EFCDMM O=C(NCc1coc(-c2ccccc2)n1)c1c(F)ccc(O)c1[O-] ZINC000789981472 1277143720 /nfs/dbraw/zinc/14/37/20/1277143720.db2.gz NCKUWUAVPZLKLX-UHFFFAOYSA-N -1 1 328.299 2.822 20 10 EFCDMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789996007 1277156279 /nfs/dbraw/zinc/15/62/79/1277156279.db2.gz MPZRCLUVHNKORL-UHFFFAOYSA-N -1 1 341.342 2.899 20 10 EFCDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(F)ccc(O)c1O ZINC000789998316 1277161026 /nfs/dbraw/zinc/16/10/26/1277161026.db2.gz YZKPSNSTNXNICJ-UHFFFAOYSA-N -1 1 342.666 2.756 20 10 EFCDMM O=C(NCc1csc(-c2ccco2)n1)c1c(F)ccc(O)c1[O-] ZINC000790076281 1277210588 /nfs/dbraw/zinc/21/05/88/1277210588.db2.gz RGRXMEPYVFKRFK-UHFFFAOYSA-N -1 1 334.328 2.883 20 10 EFCDMM C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000790074612 1277210988 /nfs/dbraw/zinc/21/09/88/1277210988.db2.gz DWHRBNALQRQAPO-XPTSAGLGSA-N -1 1 337.322 2.618 20 10 EFCDMM COC(=O)c1cc(Br)c([O-])c(Nc2ccncc2F)c1 ZINC001175199753 1287343119 /nfs/dbraw/zinc/34/31/19/1287343119.db2.gz XNYPKUCOYTYAOW-UHFFFAOYSA-N -1 1 341.136 2.641 20 10 EFCDMM CC(C)(CC(=O)NCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC001144738076 1280067900 /nfs/dbraw/zinc/06/79/00/1280067900.db2.gz RNDPLLIPXYHOSE-UHFFFAOYSA-N -1 1 327.380 2.765 20 10 EFCDMM Cc1[nH]nc2cc(NC(=O)c3cc(=O)n(-c4ccccc4)[n-]3)ccc12 ZINC001147887223 1281323052 /nfs/dbraw/zinc/32/30/52/1281323052.db2.gz HURFQNKJIAQXHW-UHFFFAOYSA-N -1 1 333.351 2.603 20 10 EFCDMM O=C(CNC(=O)c1ccc(-n2cccc2)cc1)c1ccc([O-])c(O)c1 ZINC001148700669 1281716577 /nfs/dbraw/zinc/71/65/77/1281716577.db2.gz ZZIZBLLZLYCLTC-UHFFFAOYSA-N -1 1 336.347 2.501 20 10 EFCDMM COC[C@@H](C)[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000812557772 1285245163 /nfs/dbraw/zinc/24/51/63/1285245163.db2.gz KRBXFKNWGFEQMG-ZJUUUORDSA-N -1 1 330.222 2.690 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN(C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814179836 1286362061 /nfs/dbraw/zinc/36/20/61/1286362061.db2.gz HQQBDYFTPUTAQZ-GFCCVEGCSA-N -1 1 342.233 2.989 20 10 EFCDMM CC(C)(C)Oc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC000814517836 1286732196 /nfs/dbraw/zinc/73/21/96/1286732196.db2.gz NWOKGDNKUJFZLI-UHFFFAOYSA-N -1 1 345.351 2.710 20 10 EFCDMM CC(C)(C(=O)NCC(=O)c1ccc([O-])c(O)c1)c1c(F)cccc1F ZINC001181191244 1289733033 /nfs/dbraw/zinc/73/30/33/1289733033.db2.gz LUYIFNCCQQHVMQ-UHFFFAOYSA-N -1 1 349.333 2.653 20 10 EFCDMM O=S(=O)(Cc1cc(F)cc(F)c1)Nc1c(F)cc([O-])cc1F ZINC001185137615 1290591340 /nfs/dbraw/zinc/59/13/40/1290591340.db2.gz HFRNUVNHKCHUEP-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM C[C@@H](CCc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001186028399 1290820448 /nfs/dbraw/zinc/82/04/48/1290820448.db2.gz SSKHEYLWYZUGCP-ZDUSSCGKSA-N -1 1 327.380 2.666 20 10 EFCDMM O=C(CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc([O-])c(O)c1 ZINC001186702913 1291009330 /nfs/dbraw/zinc/00/93/30/1291009330.db2.gz USRYRJSVAVLIRT-UHFFFAOYSA-N -1 1 344.411 2.549 20 10 EFCDMM Cc1ccc(C)n1-c1ccc([O-])c(C(=O)N=c2[nH]cnn3cccc23)c1 ZINC001186829905 1291025249 /nfs/dbraw/zinc/02/52/49/1291025249.db2.gz QPBKGMYEOCAKJW-UHFFFAOYSA-N -1 1 347.378 2.517 20 10 EFCDMM [O-]c1c(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)ccc(F)c1F ZINC001233074898 1312849545 /nfs/dbraw/zinc/84/95/45/1312849545.db2.gz ZQNRYOWUTUUAOO-MFKMUULPSA-N -1 1 343.267 2.898 20 10 EFCDMM CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233076212 1312850089 /nfs/dbraw/zinc/85/00/89/1312850089.db2.gz LKWLEQPTSLIMRY-GTNSWQLSSA-N -1 1 340.370 2.769 20 10 EFCDMM COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)cc1Br ZINC001233140866 1312865488 /nfs/dbraw/zinc/86/54/88/1312865488.db2.gz VNGVJHGZYAXVFC-AOOOYVTPSA-N -1 1 340.217 2.574 20 10 EFCDMM CC(C)(C)OC(=O)NC1(C)CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335295 1312906207 /nfs/dbraw/zinc/90/62/07/1312906207.db2.gz OYZSYDFVROALPP-UHFFFAOYSA-N -1 1 328.359 2.769 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1CCn2c(Br)cnc2C1 ZINC001233334849 1312906540 /nfs/dbraw/zinc/90/65/40/1312906540.db2.gz WIZQANAFVOKUPV-UHFFFAOYSA-N -1 1 344.159 2.645 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001233333524 1312906761 /nfs/dbraw/zinc/90/67/61/1312906761.db2.gz YOXGHRIAXKKDLR-YXJHDRRASA-N -1 1 339.382 2.829 20 10 EFCDMM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419720 1312928576 /nfs/dbraw/zinc/92/85/76/1312928576.db2.gz JUXNAYHYKUPQHS-CDMKHQONSA-N -1 1 329.318 2.937 20 10 EFCDMM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419721 1312928588 /nfs/dbraw/zinc/92/85/88/1312928588.db2.gz JUXNAYHYKUPQHS-SUZMYJTESA-N -1 1 329.318 2.937 20 10 EFCDMM CCOC(=O)[C@@H]1CSCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419459 1312928911 /nfs/dbraw/zinc/92/89/11/1312928911.db2.gz YDNCKLPKSYSLKI-LBPRGKRZSA-N -1 1 349.374 2.892 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)CO[C@H](C)COC ZINC001233496094 1312942956 /nfs/dbraw/zinc/94/29/56/1312942956.db2.gz PYOKEDCXMCTFDB-NEPJUHHUSA-N -1 1 326.389 2.899 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@H](C)OC[C@H](C)OC ZINC001233496672 1312943116 /nfs/dbraw/zinc/94/31/16/1312943116.db2.gz ZACWYHDIKNMJCM-RYUDHWBXSA-N -1 1 326.389 2.899 20 10 EFCDMM O=C(Nc1cncnc1C(F)(F)F)c1ccc(O)c([O-])c1Cl ZINC001193219531 1293199777 /nfs/dbraw/zinc/19/97/77/1293199777.db2.gz JYKUGZFYOMMJLP-UHFFFAOYSA-N -1 1 333.653 2.812 20 10 EFCDMM Cc1cnn(-c2ccccn2)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193220854 1293201608 /nfs/dbraw/zinc/20/16/08/1293201608.db2.gz YLDNKTUQOMFGLD-UHFFFAOYSA-N -1 1 344.758 2.893 20 10 EFCDMM Cc1ccc2c(c1NC(=O)c1ccc(O)c([O-])c1Cl)CNC2=O ZINC001193232314 1293206076 /nfs/dbraw/zinc/20/60/76/1293206076.db2.gz IEUYLXFVJQHHNB-UHFFFAOYSA-N -1 1 332.743 2.555 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N(C1CCC1)C1CCOCC1 ZINC001193233065 1293207347 /nfs/dbraw/zinc/20/73/47/1293207347.db2.gz UWYDWPJUBZMWMY-UHFFFAOYSA-N -1 1 325.792 2.925 20 10 EFCDMM O=C(NCc1ccc(-c2ncon2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193236974 1293209529 /nfs/dbraw/zinc/20/95/29/1293209529.db2.gz VDHJHNBDUGFXEI-UHFFFAOYSA-N -1 1 345.742 2.731 20 10 EFCDMM O=C(Nc1ccc(C2=NCCO2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193230576 1293226845 /nfs/dbraw/zinc/22/68/45/1293226845.db2.gz WEELSKDKTTZQIX-UHFFFAOYSA-N -1 1 332.743 2.780 20 10 EFCDMM CN(C)C(=O)Cc1ccccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193230560 1293227520 /nfs/dbraw/zinc/22/75/20/1293227520.db2.gz VDSWYZDVTPQUCZ-UHFFFAOYSA-N -1 1 348.786 2.634 20 10 EFCDMM O=C(CNC(=O)c1cc(-c2ccccc2)c[nH]1)c1ccc([O-])c(O)c1 ZINC001195655891 1293996383 /nfs/dbraw/zinc/99/63/83/1293996383.db2.gz CKDMMYMOQWMZOE-UHFFFAOYSA-N -1 1 336.347 2.706 20 10 EFCDMM COc1ccc(F)c(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001196764410 1294351503 /nfs/dbraw/zinc/35/15/03/1294351503.db2.gz OUWKLYJJTZCDTO-UHFFFAOYSA-N -1 1 333.287 2.619 20 10 EFCDMM CC1=CCC=C[C@H]1C(=O)N1CCC12CN(Cc1c([O-])cccc1F)C2 ZINC001276354193 1294570566 /nfs/dbraw/zinc/57/05/66/1294570566.db2.gz LSVYXEGRCPFUHW-OAHLLOKOSA-N -1 1 342.414 2.840 20 10 EFCDMM Cc1ccc(NC(=S)NCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC001198012212 1294832602 /nfs/dbraw/zinc/83/26/02/1294832602.db2.gz HXYOOWPUPKXXPZ-UHFFFAOYSA-N -1 1 330.409 2.884 20 10 EFCDMM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001274226826 1295815673 /nfs/dbraw/zinc/81/56/73/1295815673.db2.gz AVMCLSWYXVPPKC-MRXNPFEDSA-N -1 1 344.789 2.878 20 10 EFCDMM C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@@H]1CO ZINC001235058247 1313233331 /nfs/dbraw/zinc/23/33/31/1313233331.db2.gz ZWCIDCWZCGSWGK-TVQRCGJNSA-N -1 1 332.213 2.887 20 10 EFCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001235057782 1313233380 /nfs/dbraw/zinc/23/33/80/1313233380.db2.gz CTWOGDBJDMCWHD-RNCFNFMXSA-N -1 1 330.197 2.905 20 10 EFCDMM C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@@H]1CO ZINC001235058245 1313233644 /nfs/dbraw/zinc/23/36/44/1313233644.db2.gz ZWCIDCWZCGSWGK-NOZJJQNGSA-N -1 1 332.213 2.887 20 10 EFCDMM CCc1ccccc1OCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000803965280 1313469514 /nfs/dbraw/zinc/46/95/14/1313469514.db2.gz PYYPULUSRWULFA-UHFFFAOYSA-N -1 1 344.363 2.855 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCc3cnn(C)c3C2)c1 ZINC001236669520 1313506421 /nfs/dbraw/zinc/50/64/21/1313506421.db2.gz NPFYJWOWKVBFAK-UHFFFAOYSA-N -1 1 336.233 2.755 20 10 EFCDMM COC(=O)N1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236794282 1313530623 /nfs/dbraw/zinc/53/06/23/1313530623.db2.gz RDRMXVHNPPIKCB-UHFFFAOYSA-N -1 1 333.215 2.973 20 10 EFCDMM COc1ccc(C[N@H+]2CC[C@H](Oc3ncncc3C)C2)c([O-])c1Cl ZINC001236809760 1313534061 /nfs/dbraw/zinc/53/40/61/1313534061.db2.gz OEAKLRBELGLTTM-ZDUSSCGKSA-N -1 1 349.818 2.806 20 10 EFCDMM CCC(=O)N[C@@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236810572 1313534207 /nfs/dbraw/zinc/53/42/07/1313534207.db2.gz UKFKJJUSKNDMGF-GFCCVEGCSA-N -1 1 326.824 2.545 20 10 EFCDMM Cc1cc(N2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)ncn1 ZINC001237128543 1313591666 /nfs/dbraw/zinc/59/16/66/1313591666.db2.gz RJHFHVNVQUPQBL-UHFFFAOYSA-N -1 1 336.798 2.605 20 10 EFCDMM O=C1CCCN(Cc2cccc(I)c2[O-])CC1 ZINC001237778152 1313704168 /nfs/dbraw/zinc/70/41/68/1313704168.db2.gz RWTIASJSXKIBGM-UHFFFAOYSA-N -1 1 345.180 2.552 20 10 EFCDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000776745337 1300591375 /nfs/dbraw/zinc/59/13/75/1300591375.db2.gz VWSHEIKACXUECV-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM C[C@@H]1CN(Cc2cccc(I)c2[O-])[C@@H](C)CO1 ZINC001237788525 1313705302 /nfs/dbraw/zinc/70/53/02/1313705302.db2.gz MUPPHRXRNJNEMN-VHSXEESVSA-N -1 1 347.196 2.606 20 10 EFCDMM C[C@@H]1CN(Cc2cccc(I)c2[O-])C[C@@H](C)O1 ZINC001237787515 1313705885 /nfs/dbraw/zinc/70/58/85/1313705885.db2.gz TUUPZQGEDRREFD-NXEZZACHSA-N -1 1 347.196 2.606 20 10 EFCDMM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3cccc(F)c3O)C2)C1 ZINC001276538611 1313707392 /nfs/dbraw/zinc/70/73/92/1313707392.db2.gz XXODFOPCXQEHAN-INIZCTEOSA-N -1 1 342.414 2.698 20 10 EFCDMM O=C1OCCN1C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237805194 1313709900 /nfs/dbraw/zinc/70/99/00/1313709900.db2.gz JRAUWODBNIBNTI-UHFFFAOYSA-N -1 1 328.771 2.601 20 10 EFCDMM O=C1CCCC2(CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)N1 ZINC001237938094 1313733933 /nfs/dbraw/zinc/73/39/33/1313733933.db2.gz SUYCDSXBTLVNFL-UHFFFAOYSA-N -1 1 326.799 2.819 20 10 EFCDMM CCCCCN1CC(=O)N[C@@H]1c1c([O-])cccc1Br ZINC000864387810 1302917302 /nfs/dbraw/zinc/91/73/02/1302917302.db2.gz VOBKHOZLXILDBK-AWEZNQCLSA-N -1 1 327.222 2.775 20 10 EFCDMM CC(C)(C)OC[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864511969 1302956348 /nfs/dbraw/zinc/95/63/48/1302956348.db2.gz UDTKQPGSZSYPGI-NSHDSACASA-N -1 1 346.221 2.513 20 10 EFCDMM CCN(C(=O)[C@@H]1CC12CN(Cc1c(F)ccc(F)c1[O-])C2)C(C)C ZINC001276943289 1311338448 /nfs/dbraw/zinc/33/84/48/1311338448.db2.gz UTUYKPIFSXDIIT-ZDUSSCGKSA-N -1 1 338.398 2.749 20 10 EFCDMM O=C(CNC(F)(F)c1ccnc(Cl)c1F)c1ccc([O-])c(O)c1 ZINC001159271851 1311483944 /nfs/dbraw/zinc/48/39/44/1311483944.db2.gz GITBUWJOVQLZES-UHFFFAOYSA-N -1 1 346.692 2.807 20 10 EFCDMM O=C(CNC(F)(F)c1cc(Cl)ncc1F)c1ccc([O-])c(O)c1 ZINC001159276846 1311484782 /nfs/dbraw/zinc/48/47/82/1311484782.db2.gz NKOKHJHQOUIJPC-UHFFFAOYSA-N -1 1 346.692 2.807 20 10 EFCDMM O=C(CNc1ccc2cc(Cl)cnc2n1)c1ccc([O-])c(O)c1 ZINC001159275952 1311484851 /nfs/dbraw/zinc/48/48/51/1311484851.db2.gz BRFNBCSMYYMDMI-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1ccnc(Cc2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC001159280182 1311485116 /nfs/dbraw/zinc/48/51/16/1311485116.db2.gz FBNGGSXRXNAPOQ-UHFFFAOYSA-N -1 1 335.363 2.773 20 10 EFCDMM C[C@H]1COCC[C@@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227576672 1311823988 /nfs/dbraw/zinc/82/39/88/1311823988.db2.gz CXQYOQPUHBQABC-ZBEGNZNMSA-N -1 1 338.359 2.971 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC1CC2(COC2)C1 ZINC001227581253 1311824720 /nfs/dbraw/zinc/82/47/20/1311824720.db2.gz YAGGBSPIZLLNLK-UHFFFAOYSA-N -1 1 336.343 2.725 20 10 EFCDMM COCCO[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000802651797 1311887004 /nfs/dbraw/zinc/88/70/04/1311887004.db2.gz BSMAHMNGPXMVRU-ZDUSSCGKSA-N -1 1 344.795 2.581 20 10 EFCDMM C[C@@H]1C[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)CCO1 ZINC001228110608 1311900493 /nfs/dbraw/zinc/90/04/93/1311900493.db2.gz KXTXTNWHVOVKMV-RISCZKNCSA-N -1 1 344.363 2.981 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1CCOC[C@@H]1F ZINC001228111569 1311900911 /nfs/dbraw/zinc/90/09/11/1311900911.db2.gz VSCPQMLGRIXMSV-ZFWWWQNUSA-N -1 1 348.326 2.540 20 10 EFCDMM C[C@H]1C[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)CCO1 ZINC001228110611 1311900929 /nfs/dbraw/zinc/90/09/29/1311900929.db2.gz KXTXTNWHVOVKMV-SMDDNHRTSA-N -1 1 344.363 2.981 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC[C@@H]1CCCCO1 ZINC001228112860 1311901525 /nfs/dbraw/zinc/90/15/25/1311901525.db2.gz BBMNXNOGDGNFIZ-AWEZNQCLSA-N -1 1 344.363 2.982 20 10 EFCDMM CC[C@H](COC)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197423 1312060367 /nfs/dbraw/zinc/06/03/67/1312060367.db2.gz OTYRIVQLGCWKGS-SNVBAGLBSA-N -1 1 342.347 2.677 20 10 EFCDMM COC[C@H](C)Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229828734 1312146537 /nfs/dbraw/zinc/14/65/37/1312146537.db2.gz FDRQSKVVPXGYLI-JTQLQIEISA-N -1 1 326.348 2.890 20 10 EFCDMM Cc1noc(NC(=O)[C@]23C[C@H]2CCN3Cc2c([O-])cccc2F)c1C ZINC001277485118 1312426871 /nfs/dbraw/zinc/42/68/71/1312426871.db2.gz XYWQUWSAUWUUCU-XIKOKIGWSA-N -1 1 345.374 2.739 20 10 EFCDMM CN1CCC([N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C2CCCC2)CC1 ZINC001231454448 1312501245 /nfs/dbraw/zinc/50/12/45/1312501245.db2.gz XKAODGNIEDQXKM-UHFFFAOYSA-N -1 1 332.444 2.929 20 10 EFCDMM O=C1N(c2ccccc2)CC12CN(Cc1cccc(Cl)c1[O-])C2 ZINC001231912172 1312587531 /nfs/dbraw/zinc/58/75/31/1312587531.db2.gz XHGJBGMUMXNLJO-UHFFFAOYSA-N -1 1 328.799 2.894 20 10 EFCDMM COc1cccnc1N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231915093 1312588144 /nfs/dbraw/zinc/58/81/44/1312588144.db2.gz YHZFNENBZQTBOA-UHFFFAOYSA-N -1 1 333.819 2.771 20 10 EFCDMM CCOCc1ncn2c1CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232261389 1312660897 /nfs/dbraw/zinc/66/08/97/1312660897.db2.gz GFBHBHOBRKNPTR-UHFFFAOYSA-N -1 1 337.807 2.500 20 10 EFCDMM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)c([O-])cc1O ZINC001232262186 1312661185 /nfs/dbraw/zinc/66/11/85/1312661185.db2.gz BRVCDDVGJSABGB-OAHLLOKOSA-N -1 1 347.798 2.851 20 10 EFCDMM O=C1CN(Cc2cc(Cl)c([O-])cc2O)CCN1Cc1ccccc1 ZINC001232262709 1312661205 /nfs/dbraw/zinc/66/12/05/1312661205.db2.gz NAHRAGDAHFLMRX-UHFFFAOYSA-N -1 1 346.814 2.596 20 10 EFCDMM [O-]c1cc(O)c(CN2C[C@H](CO)CC[C@@H]2C(F)(F)F)cc1Cl ZINC001232261204 1312661461 /nfs/dbraw/zinc/66/14/61/1312661461.db2.gz WSUGHGYHXXGFJW-AMIZOPFISA-N -1 1 339.741 2.886 20 10 EFCDMM Cc1c([O-])cc2c(c1OC[C@H]1C[C@H](O)C1)C(=O)c1ccccc1C2=O ZINC001218429383 1315194929 /nfs/dbraw/zinc/19/49/29/1315194929.db2.gz WPZODPBHMYXSRM-HAQNSBGRSA-N -1 1 338.359 2.626 20 10 EFCDMM COc1cncc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001251390135 1315345113 /nfs/dbraw/zinc/34/51/13/1315345113.db2.gz SYAOPUSDZMVCCM-UHFFFAOYSA-N -1 1 349.195 2.903 20 10 EFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1O ZINC001256790521 1315992117 /nfs/dbraw/zinc/99/21/17/1315992117.db2.gz SWHSCXOSPOTZDY-UHFFFAOYSA-N -1 1 341.772 2.633 20 10 EFCDMM COC(=O)c1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)[n-]n1 ZINC001256978507 1316016832 /nfs/dbraw/zinc/01/68/32/1316016832.db2.gz MGQFEJZQKFVEDW-UHFFFAOYSA-N -1 1 335.323 2.704 20 10 EFCDMM COc1cc(C)ccc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001259206090 1316220310 /nfs/dbraw/zinc/22/03/10/1316220310.db2.gz WSWBUFGNIGDNON-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM Cc1ccc2c(c1[N-]S(=O)(=O)C1CC1)C(=O)c1ccccc1C2=O ZINC001259275514 1316224058 /nfs/dbraw/zinc/22/40/58/1316224058.db2.gz XRMLNBBVUPLXTN-UHFFFAOYSA-N -1 1 341.388 2.675 20 10 EFCDMM O=C(c1ccccn1)c1cc(Cl)ccc1[N-]S(=O)(=O)C1CC1 ZINC001259276502 1316224120 /nfs/dbraw/zinc/22/41/20/1316224120.db2.gz ONZRYISQSXOMRX-UHFFFAOYSA-N -1 1 336.800 2.870 20 10 EFCDMM COc1cc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)ccc1O ZINC001259444574 1316244253 /nfs/dbraw/zinc/24/42/53/1316244253.db2.gz BDTIICCLZVPJCR-UHFFFAOYSA-N -1 1 345.323 2.803 20 10 EFCDMM O=S(=O)(CCc1ccc(F)cc1)Nc1c(F)cc([O-])cc1F ZINC001259761832 1316274536 /nfs/dbraw/zinc/27/45/36/1316274536.db2.gz YHRRUOPXRQEPOX-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc2c(c1)CCC2 ZINC001259862180 1316288959 /nfs/dbraw/zinc/28/89/59/1316288959.db2.gz ZAXWFOBNSUJFDK-UHFFFAOYSA-N -1 1 325.336 2.960 20 10 EFCDMM CCOc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(F)c1 ZINC001260441028 1316338989 /nfs/dbraw/zinc/33/89/89/1316338989.db2.gz IJUWURHFKAGMQG-UHFFFAOYSA-N -1 1 337.332 2.561 20 10 EFCDMM Nc1ccc2c(ncnc2NCc2cccc(Br)c2[O-])n1 ZINC001321158650 1329350670 /nfs/dbraw/zinc/35/06/70/1329350670.db2.gz ZECGSNUCZUENCG-UHFFFAOYSA-N -1 1 346.188 2.687 20 10 EFCDMM CCOc1ccc2c(c1)CN(C(=O)c1c(F)ccc(O)c1[O-])CC2 ZINC001326242759 1329741531 /nfs/dbraw/zinc/74/15/31/1329741531.db2.gz WXDSTBRDKCMMIL-UHFFFAOYSA-N -1 1 331.343 2.834 20 10 EFCDMM O=C(NC/C=C/C1CC1)NCc1cccc(Br)c1[O-] ZINC001326685581 1330347210 /nfs/dbraw/zinc/34/72/10/1330347210.db2.gz ZVCIHDSKAIQQEJ-NSCUHMNNSA-N -1 1 325.206 2.920 20 10 EFCDMM O=C(NCCCC(F)F)NCc1cccc(Br)c1[O-] ZINC001332349357 1330961779 /nfs/dbraw/zinc/96/17/79/1330961779.db2.gz XAFCCAJVHGJKCH-UHFFFAOYSA-N -1 1 337.164 2.999 20 10 EFCDMM COc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2F)c(OC)c1 ZINC000826209278 1429077901 /nfs/dbraw/zinc/07/79/01/1429077901.db2.gz UXAQPWKKYUFATL-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM COc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1O ZINC000826216112 1429526146 /nfs/dbraw/zinc/52/61/46/1429526146.db2.gz LBNXWPMAOUYAGK-UHFFFAOYSA-N -1 1 331.763 2.846 20 10 EFCDMM Oc1ccccc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826511107 1423996964 /nfs/dbraw/zinc/99/69/64/1423996964.db2.gz CCFISTGKYWFIAA-UHFFFAOYSA-N -1 1 346.188 2.947 20 10 EFCDMM c1nc(SCc2nn[n-]n2)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000299351371 1424040221 /nfs/dbraw/zinc/04/02/21/1424040221.db2.gz MVGAZPAJRJYTTA-CYBMUJFWSA-N -1 1 342.428 2.535 20 10 EFCDMM Oc1c(Br)cccc1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000826510803 1424416243 /nfs/dbraw/zinc/41/62/43/1424416243.db2.gz LFLZQEAJNGEWMS-UHFFFAOYSA-N -1 1 346.188 2.947 20 10 EFCDMM C[C@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(N(C)C)cc1 ZINC000824606984 1425982460 /nfs/dbraw/zinc/98/24/60/1425982460.db2.gz UUMZANNHFAFHMS-LBPRGKRZSA-N -1 1 340.406 2.923 20 10 EFCDMM Cc1ccc(-c2nn[n-]n2)nc1NCCCSc1nccs1 ZINC000826280931 1427047265 /nfs/dbraw/zinc/04/72/65/1427047265.db2.gz WPPXKYXBYVCFGO-UHFFFAOYSA-N -1 1 333.446 2.621 20 10 EFCDMM COc1ccc(N(Cc2ccnc(-c3nnn[n-]3)c2)C(C)C)cc1F ZINC000826209316 1430231046 /nfs/dbraw/zinc/23/10/46/1430231046.db2.gz WNBTUSCCDSTHNV-UHFFFAOYSA-N -1 1 342.378 2.824 20 10 EFCDMM CCN(Cc1ccc(N(C)C)cc1)c1nccc(C)c1-c1nnn[n-]1 ZINC000825434539 1441515005 /nfs/dbraw/zinc/51/50/05/1441515005.db2.gz ALJSIEBLLAOAFF-UHFFFAOYSA-N -1 1 337.431 2.663 20 10 EFCDMM COc1ccc(CNCc2cc(-c3nn[n-]n3)ccc2F)cc1C ZINC000821814213 1442176039 /nfs/dbraw/zinc/17/60/39/1442176039.db2.gz XZFBOGLMMIVOSJ-UHFFFAOYSA-N -1 1 327.363 2.613 20 10 EFCDMM COc1ccc(CNCc2cc(-c3nnn[n-]3)ccc2F)cc1C ZINC000821814213 1442176045 /nfs/dbraw/zinc/17/60/45/1442176045.db2.gz XZFBOGLMMIVOSJ-UHFFFAOYSA-N -1 1 327.363 2.613 20 10 EFCDMM CN(Cc1c(O)ccc2ccncc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825953210 1447299172 /nfs/dbraw/zinc/29/91/72/1447299172.db2.gz ALORCVGNMACOCF-UHFFFAOYSA-N -1 1 332.367 2.757 20 10 EFCDMM CCOc1ccc(N(C)CCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736645530 1449916135 /nfs/dbraw/zinc/91/61/35/1449916135.db2.gz ZAJQJJVQHHETNY-UHFFFAOYSA-N -1 1 339.399 2.781 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C/c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000216934428 714049796 /nfs/dbraw/zinc/04/97/96/714049796.db2.gz GYVQBOJWDRGGIW-XBXARRHUSA-N -1 1 332.309 2.685 20 10 EFCDMM CNS(=O)(=O)c1ccc(C)c(NCc2cccc(Cl)c2[O-])c1 ZINC000317364568 718053559 /nfs/dbraw/zinc/05/35/59/718053559.db2.gz STODRRAEILWDCN-UHFFFAOYSA-N -1 1 340.832 2.874 20 10 EFCDMM COCCO[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894530771 722773459 /nfs/dbraw/zinc/77/34/59/722773459.db2.gz MHKKITQNDMVTNJ-GFCCVEGCSA-N -1 1 348.212 2.531 20 10 EFCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](n2cccn2)C1 ZINC000894814761 722855522 /nfs/dbraw/zinc/85/55/22/722855522.db2.gz JKRNCQWPQPFDAO-GFCCVEGCSA-N -1 1 340.196 2.937 20 10 EFCDMM CC[C@H]1CN(CC)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375737 727435722 /nfs/dbraw/zinc/43/57/22/727435722.db2.gz ROKQFLNYLQAAMB-OWNNVSBGSA-N -1 1 333.388 2.613 20 10 EFCDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000182475271 728186342 /nfs/dbraw/zinc/18/63/42/728186342.db2.gz MZGYEIFGQUNFCO-UHFFFAOYSA-N -1 1 336.369 2.972 20 10 EFCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001595191223 952283347 /nfs/dbraw/zinc/28/33/47/952283347.db2.gz GFULUIITHPPCNO-LSDHHAIUSA-N -1 1 333.334 2.971 20 10 EFCDMM CC1(C(=O)[O-])CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000691422326 954683859 /nfs/dbraw/zinc/68/38/59/954683859.db2.gz NWKGAGBAACTTGC-UHFFFAOYSA-N -1 1 328.206 2.841 20 10 EFCDMM CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H](C(=O)[O-])C1CC1 ZINC000873641797 956070195 /nfs/dbraw/zinc/07/01/95/956070195.db2.gz ZXSVBWOMCILMOD-CYBMUJFWSA-N -1 1 328.206 2.840 20 10 EFCDMM CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H](C(=O)[O-])C1CC1 ZINC000873641797 956070208 /nfs/dbraw/zinc/07/02/08/956070208.db2.gz ZXSVBWOMCILMOD-CYBMUJFWSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994230 968984223 /nfs/dbraw/zinc/98/42/23/968984223.db2.gz WLBSPMYCZSXETL-GXSJLCMTSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994230 968984231 /nfs/dbraw/zinc/98/42/31/968984231.db2.gz WLBSPMYCZSXETL-GXSJLCMTSA-N -1 1 328.206 2.697 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424199 976355074 /nfs/dbraw/zinc/35/50/74/976355074.db2.gz SLXVUZKGIKHJSF-IUPBHXKESA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424199 976355084 /nfs/dbraw/zinc/35/50/84/976355084.db2.gz SLXVUZKGIKHJSF-IUPBHXKESA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC000706674365 977358190 /nfs/dbraw/zinc/35/81/90/977358190.db2.gz QXPFFIVXAMJMPD-LLVKDONJSA-N -1 1 340.217 2.841 20 10 EFCDMM Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1Cl ZINC000776435011 978748764 /nfs/dbraw/zinc/74/87/64/978748764.db2.gz VUINFSXKZGDQIL-UHFFFAOYSA-N -1 1 341.772 2.853 20 10 EFCDMM CC(=O)c1cc(F)cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1O ZINC000846277690 979443962 /nfs/dbraw/zinc/44/39/62/979443962.db2.gz KCCOHNGPYOEWOO-AWEZNQCLSA-N -1 1 349.280 2.573 20 10 EFCDMM CC(=O)c1cc(F)cc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1O ZINC000846277692 979444460 /nfs/dbraw/zinc/44/44/60/979444460.db2.gz KCCOHNGPYOEWOO-CQSZACIVSA-N -1 1 349.280 2.573 20 10 EFCDMM CCO[C@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1CC1 ZINC001596784623 985250785 /nfs/dbraw/zinc/25/07/85/985250785.db2.gz RQPKUPUGBCDKHT-OAHLLOKOSA-N -1 1 327.808 2.747 20 10 EFCDMM CCO[C@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1CC1 ZINC001596784623 985250794 /nfs/dbraw/zinc/25/07/94/985250794.db2.gz RQPKUPUGBCDKHT-OAHLLOKOSA-N -1 1 327.808 2.747 20 10 EFCDMM Cc1[nH]c(C[NH2+]Cc2cc(Br)ccc2[O-])cc1C(=O)[O-] ZINC001599963755 985852830 /nfs/dbraw/zinc/85/28/30/985852830.db2.gz ROWFFLRWKYQHQS-UHFFFAOYSA-N -1 1 339.189 2.779 20 10 EFCDMM CC(=O)c1cc(F)cc(CN(CCC(F)(F)F)CC(=O)[O-])c1O ZINC001589270992 985967799 /nfs/dbraw/zinc/96/77/99/985967799.db2.gz JYECKAHLAOIGLN-UHFFFAOYSA-N -1 1 337.269 2.573 20 10 EFCDMM C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@](C)(O)C(=O)[O-] ZINC001593710308 996208663 /nfs/dbraw/zinc/20/86/63/996208663.db2.gz KXDMPONSJCLSKM-IFXJQAMLSA-N -1 1 329.396 2.791 20 10 EFCDMM C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@](C)(O)C(=O)[O-] ZINC001593710311 996208824 /nfs/dbraw/zinc/20/88/24/996208824.db2.gz KXDMPONSJCLSKM-LIRRHRJNSA-N -1 1 329.396 2.791 20 10 EFCDMM COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001599501185 997123142 /nfs/dbraw/zinc/12/31/42/997123142.db2.gz JHRMTSPPRHBSDV-UHFFFAOYSA-N -1 1 349.333 2.936 20 10 EFCDMM COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001599501185 997123151 /nfs/dbraw/zinc/12/31/51/997123151.db2.gz JHRMTSPPRHBSDV-UHFFFAOYSA-N -1 1 349.333 2.936 20 10 EFCDMM COc1ccc([C@H]([NH2+]Cc2ccc(Cl)cc2[O-])C(=O)[O-])cc1O ZINC001599530330 997637206 /nfs/dbraw/zinc/63/72/06/997637206.db2.gz BSWGJWCKHMVZHE-HNNXBMFYSA-N -1 1 337.759 2.675 20 10 EFCDMM COc1ccc([C@H](NCc2ccc(OC)c(C)c2)C(=O)[O-])c(OC)c1 ZINC001599533295 997698376 /nfs/dbraw/zinc/69/83/76/997698376.db2.gz ZJIRTBDSGKHXIQ-SFHVURJKSA-N -1 1 345.395 2.936 20 10 EFCDMM COc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c(O)c1OC ZINC001599558616 998143504 /nfs/dbraw/zinc/14/35/04/998143504.db2.gz KGAJNTYUAXHFFL-UHFFFAOYSA-N -1 1 335.356 2.641 20 10 EFCDMM C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001594424015 999585576 /nfs/dbraw/zinc/58/55/76/999585576.db2.gz OKIQKZXESJEVSQ-SKDRFNHKSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001594424015 999585578 /nfs/dbraw/zinc/58/55/78/999585578.db2.gz OKIQKZXESJEVSQ-SKDRFNHKSA-N -1 1 328.206 2.840 20 10 EFCDMM COc1ccc(N(Cc2nc(-c3nnn[n-]3)cs2)C(C)C)cc1F ZINC001591607706 1093794417 /nfs/dbraw/zinc/79/44/17/1093794417.db2.gz IKMJORSRUQGUIW-UHFFFAOYSA-N -1 1 348.407 2.886 20 10 EFCDMM COc1ccc(N(Cc2nc(-c3nn[n-]n3)cs2)C(C)C)cc1F ZINC001591607706 1093794424 /nfs/dbraw/zinc/79/44/24/1093794424.db2.gz IKMJORSRUQGUIW-UHFFFAOYSA-N -1 1 348.407 2.886 20 10 EFCDMM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1cccc(Cl)c1[O-] ZINC001593469902 1094315712 /nfs/dbraw/zinc/31/57/12/1094315712.db2.gz BWEZTZBKZMYYBL-UHFFFAOYSA-N -1 1 346.734 2.746 20 10 EFCDMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001600076549 1094755355 /nfs/dbraw/zinc/75/53/55/1094755355.db2.gz GCWNZYGYZKPTTJ-CQSZACIVSA-N -1 1 344.386 2.822 20 10 EFCDMM Nc1c(F)cccc1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001601210650 1095554346 /nfs/dbraw/zinc/55/43/46/1095554346.db2.gz WMTCKMYZWXPBQV-UHFFFAOYSA-N -1 1 338.766 2.854 20 10 EFCDMM Nc1c(F)cccc1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001601210650 1095554357 /nfs/dbraw/zinc/55/43/57/1095554357.db2.gz WMTCKMYZWXPBQV-UHFFFAOYSA-N -1 1 338.766 2.854 20 10 EFCDMM Nc1c(F)cccc1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001601210650 1095554366 /nfs/dbraw/zinc/55/43/66/1095554366.db2.gz WMTCKMYZWXPBQV-UHFFFAOYSA-N -1 1 338.766 2.854 20 10 EFCDMM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001601706731 1095851068 /nfs/dbraw/zinc/85/10/68/1095851068.db2.gz BZBQCUPRKWFNJV-GFCCVEGCSA-N -1 1 325.233 2.509 20 10 EFCDMM O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC001601815487 1095917053 /nfs/dbraw/zinc/91/70/53/1095917053.db2.gz BULLKBVJZAOWPC-LBPRGKRZSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@@H]1CSCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001601856518 1095936072 /nfs/dbraw/zinc/93/60/72/1095936072.db2.gz JXKCAIAWQWCPAX-VIFPVBQESA-N -1 1 336.240 2.949 20 10 EFCDMM C[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])[C@H](C(=O)[O-])C1 ZINC001604753627 1096948348 /nfs/dbraw/zinc/94/83/48/1096948348.db2.gz FWNJNPITNVRTIP-CABZTGNLSA-N -1 1 328.206 2.840 20 10 EFCDMM O=C([O-])[C@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000709997925 1097454464 /nfs/dbraw/zinc/45/44/64/1097454464.db2.gz OYBRKYZEXVRFLU-MGCOHNPYSA-N -1 1 328.206 2.888 20 10 EFCDMM O=C([O-])/C=C/c1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC001608659699 1097980363 /nfs/dbraw/zinc/98/03/63/1097980363.db2.gz GZCPIGRDVZCWGR-BQYQJAHWSA-N -1 1 342.395 2.504 20 10 EFCDMM CN(C)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC001609270531 1098232564 /nfs/dbraw/zinc/23/25/64/1098232564.db2.gz FBGSNSUPKHZKIJ-UHFFFAOYSA-N -1 1 329.795 2.593 20 10 EFCDMM CN(C)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC001609270531 1098232568 /nfs/dbraw/zinc/23/25/68/1098232568.db2.gz FBGSNSUPKHZKIJ-UHFFFAOYSA-N -1 1 329.795 2.593 20 10 EFCDMM Cc1c(NCc2cc(Cl)cc(Cl)c2O)cnn1CC(=O)[O-] ZINC001610426258 1098672539 /nfs/dbraw/zinc/67/25/39/1098672539.db2.gz ITDNYJCTTSUDMR-UHFFFAOYSA-N -1 1 330.171 2.901 20 10 EFCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000784992734 1102665773 /nfs/dbraw/zinc/66/57/73/1102665773.db2.gz OYUGICBVBKEWDR-SNVBAGLBSA-N -1 1 345.307 2.536 20 10 EFCDMM Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001142508789 1106029768 /nfs/dbraw/zinc/02/97/68/1106029768.db2.gz LKJPNQPBZDYERV-ZDUSSCGKSA-N -1 1 325.277 2.950 20 10 EFCDMM O=C1c2ccccc2[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])CCN12 ZINC001142512638 1106053229 /nfs/dbraw/zinc/05/32/29/1106053229.db2.gz GYBXKXKGHJHMCV-INIZCTEOSA-N -1 1 330.334 2.683 20 10 EFCDMM CO[C@H]1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC001120637008 1106981792 /nfs/dbraw/zinc/98/17/92/1106981792.db2.gz XNZSXBKJIKFIAL-JQWIXIFHSA-N -1 1 328.206 2.586 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cccs3)no2)c1 ZINC000184831371 1119519874 /nfs/dbraw/zinc/51/98/74/1119519874.db2.gz OEVRIMIRDIFELT-UHFFFAOYSA-N -1 1 337.382 2.542 20 10 EFCDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000055106033 214273976 /nfs/dbraw/zinc/27/39/76/214273976.db2.gz OPQSXJBBBKXYAX-UHFFFAOYSA-N -1 1 334.397 2.633 20 10 EFCDMM CC(C)(CCC(=O)NCc1cccc(Br)c1[O-])[N+](=O)[O-] ZINC000296773532 241098568 /nfs/dbraw/zinc/09/85/68/241098568.db2.gz PWYKNUXOFTWWRH-UHFFFAOYSA-N -1 1 345.193 2.606 20 10 EFCDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000366100206 242342289 /nfs/dbraw/zinc/34/22/89/242342289.db2.gz WNKOSEPJLSIIJP-UHFFFAOYSA-N -1 1 341.363 2.539 20 10 EFCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccn(-c2ncccc2F)n1 ZINC000365130610 242317806 /nfs/dbraw/zinc/31/78/06/242317806.db2.gz DGWDSTZUYCPUKN-UHFFFAOYSA-N -1 1 336.729 2.939 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1[O-] ZINC000280937289 277105601 /nfs/dbraw/zinc/10/56/01/277105601.db2.gz GIQJOTYEHMXNKQ-YVEFUNNKSA-N -1 1 337.803 2.935 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1[O-] ZINC000177170263 277105756 /nfs/dbraw/zinc/10/57/56/277105756.db2.gz YUXWQLUIJYGHCY-ONGXEEELSA-N -1 1 347.864 2.502 20 10 EFCDMM O=C1NCCN1[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092188788 472871706 /nfs/dbraw/zinc/87/17/06/472871706.db2.gz JRTDUNNGMJAQSE-GFCCVEGCSA-N -1 1 344.242 2.689 20 10 EFCDMM CS[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158084478 472891277 /nfs/dbraw/zinc/89/12/77/472891277.db2.gz GPYIDBBEVIEBAJ-RISCZKNCSA-N -1 1 342.892 2.878 20 10 EFCDMM COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187760482 473916556 /nfs/dbraw/zinc/91/65/56/473916556.db2.gz OLPRANUSDFUBIP-JOYOIKCWSA-N -1 1 338.358 2.594 20 10 EFCDMM C[C@@H](O)C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000276515270 474564764 /nfs/dbraw/zinc/56/47/64/474564764.db2.gz BQPCBCWMOIHHJT-YPMHNXCESA-N -1 1 333.359 2.521 20 10 EFCDMM COc1ccc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000276661311 474568964 /nfs/dbraw/zinc/56/89/64/474568964.db2.gz YBSLOSPQXXRLAW-LBPRGKRZSA-N -1 1 331.343 2.875 20 10 EFCDMM O=C1CCCN1[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000276729599 474570040 /nfs/dbraw/zinc/57/00/40/474570040.db2.gz BINCIICXVFPMOM-GFCCVEGCSA-N -1 1 329.227 2.896 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)[S@@](=O)CC2)c1[O-] ZINC000277126630 474578869 /nfs/dbraw/zinc/57/88/69/474578869.db2.gz ICRXPEVLSJFFEM-UZJPJQLHSA-N -1 1 329.849 2.591 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC1(Cl)Cl ZINC000277392045 474583943 /nfs/dbraw/zinc/58/39/43/474583943.db2.gz ARDACEXVVRREMV-SSDOTTSWSA-N -1 1 339.016 2.965 20 10 EFCDMM C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277475231 474587419 /nfs/dbraw/zinc/58/74/19/474587419.db2.gz PDUPVJJVWJKPCE-GXSJLCMTSA-N -1 1 343.221 2.521 20 10 EFCDMM CC[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277635610 474591265 /nfs/dbraw/zinc/59/12/65/474591265.db2.gz XMAIOEMBDRMQGM-ZYHUDNBSSA-N -1 1 342.233 2.976 20 10 EFCDMM COc1c([O-])c(CN(C)Cc2nccn2C(F)F)ccc1[N+](=O)[O-] ZINC000278161732 474601856 /nfs/dbraw/zinc/60/18/56/474601856.db2.gz DOKYNTAENDRVII-UHFFFAOYSA-N -1 1 342.302 2.533 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(C3CCCCC3)no2)c1 ZINC000184844652 474619183 /nfs/dbraw/zinc/61/91/83/474619183.db2.gz UJSASBRZPVUACT-UHFFFAOYSA-N -1 1 337.401 2.861 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1[O-] ZINC000267378715 474665440 /nfs/dbraw/zinc/66/54/40/474665440.db2.gz MECLQSQQIVNCFE-UODZXCQVSA-N -1 1 329.849 2.590 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCSC1 ZINC000279660428 474985273 /nfs/dbraw/zinc/98/52/73/474985273.db2.gz XSIUXLUNUJFENS-VIFPVBQESA-N -1 1 345.262 2.707 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCSC1 ZINC000279660425 474985325 /nfs/dbraw/zinc/98/53/25/474985325.db2.gz XSIUXLUNUJFENS-SECBINFHSA-N -1 1 345.262 2.707 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000280499737 475029315 /nfs/dbraw/zinc/02/93/15/475029315.db2.gz QSALKROEIJYQBA-PXAZEXFGSA-N -1 1 339.819 2.628 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000280499744 475030198 /nfs/dbraw/zinc/03/01/98/475030198.db2.gz QSALKROEIJYQBA-YVEFUNNKSA-N -1 1 339.819 2.628 20 10 EFCDMM Cc1ccc(N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)cc1 ZINC000294970863 475095049 /nfs/dbraw/zinc/09/50/49/475095049.db2.gz OJNDILXYDFTJLI-UHFFFAOYSA-N -1 1 330.359 2.508 20 10 EFCDMM COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000295071696 475102313 /nfs/dbraw/zinc/10/23/13/475102313.db2.gz PIOWJQJADBTFDC-OAHLLOKOSA-N -1 1 348.226 2.711 20 10 EFCDMM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000295193448 475111212 /nfs/dbraw/zinc/11/12/12/475111212.db2.gz UDWWJPBDSVNQJI-GXTWGEPZSA-N -1 1 331.343 2.922 20 10 EFCDMM CCc1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000295218803 475113361 /nfs/dbraw/zinc/11/33/61/475113361.db2.gz BMOTZPCZHXYTBW-UHFFFAOYSA-N -1 1 339.189 2.944 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000295390055 475124742 /nfs/dbraw/zinc/12/47/42/475124742.db2.gz LFOLFISYHLIPTL-KRWDZBQOSA-N -1 1 345.370 2.823 20 10 EFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1OCCc2sccc21 ZINC000295427332 475125883 /nfs/dbraw/zinc/12/58/83/475125883.db2.gz VOYUYUBGCVZBIT-AYVTZFPOSA-N -1 1 337.372 2.731 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(C2CC2)c1 ZINC000529171403 479072854 /nfs/dbraw/zinc/07/28/54/479072854.db2.gz MJXWPKMWKGELEN-UHFFFAOYSA-N -1 1 336.189 2.616 20 10 EFCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc2c(c1)OCO2 ZINC000041371802 527253295 /nfs/dbraw/zinc/25/32/95/527253295.db2.gz OTNVLRQVUMHTQT-UHFFFAOYSA-N -1 1 346.408 2.816 20 10 EFCDMM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000177167228 528766582 /nfs/dbraw/zinc/76/65/82/528766582.db2.gz QKWLVDIKXZEWSG-SNVBAGLBSA-N -1 1 347.864 2.503 20 10 EFCDMM CCOCCC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCC1 ZINC000276612306 535483484 /nfs/dbraw/zinc/48/34/84/535483484.db2.gz PREVHDRTGNEJBY-UHFFFAOYSA-N -1 1 325.380 2.954 20 10 EFCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000758772692 575877289 /nfs/dbraw/zinc/87/72/89/575877289.db2.gz BKLSDDHEIBOTJR-UHFFFAOYSA-N -1 1 335.381 2.794 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1Cc2ccccc2O1 ZINC000765727848 577070809 /nfs/dbraw/zinc/07/08/09/577070809.db2.gz PXYVUGSGNMRBHJ-AWEZNQCLSA-N -1 1 348.196 2.775 20 10 EFCDMM Cc1ncsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765725926 577070887 /nfs/dbraw/zinc/07/08/87/577070887.db2.gz AFTPDMHRSZHIHF-UHFFFAOYSA-N -1 1 327.203 2.850 20 10 EFCDMM C[C@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCC1=O ZINC000765730978 577071114 /nfs/dbraw/zinc/07/11/14/577071114.db2.gz WNBQUIQHCQYVTN-VHSXEESVSA-N -1 1 340.217 2.776 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2n[nH]cc21 ZINC000765731735 577071129 /nfs/dbraw/zinc/07/11/29/577071129.db2.gz LQCNJZWXMSOUPQ-UHFFFAOYSA-N -1 1 346.184 2.961 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H](O)c1ccccc1 ZINC000765733273 577071547 /nfs/dbraw/zinc/07/15/47/577071547.db2.gz WOGFYVMXAKMJNC-CQSZACIVSA-N -1 1 336.185 2.505 20 10 EFCDMM O=C(/C=C/c1cccnc1)NCc1cccc(Br)c1[O-] ZINC000765735339 577071568 /nfs/dbraw/zinc/07/15/68/577071568.db2.gz HBLYBFCGBUVRAT-VOTSOKGWSA-N -1 1 333.185 2.879 20 10 EFCDMM CCc1noc(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765754852 577072851 /nfs/dbraw/zinc/07/28/51/577072851.db2.gz XFIDEZOZHDNBGY-UHFFFAOYSA-N -1 1 339.189 2.944 20 10 EFCDMM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@H]2CCCC[C@H]12 ZINC000737751535 577253360 /nfs/dbraw/zinc/25/33/60/577253360.db2.gz MBOHJJHIQQSFJX-KYOSRNDESA-N -1 1 344.415 2.534 20 10 EFCDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000771220318 581189228 /nfs/dbraw/zinc/18/92/28/581189228.db2.gz UDTNSMBXSZMRRZ-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM CCOCC[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000771637010 581229293 /nfs/dbraw/zinc/22/92/93/581229293.db2.gz TVUCHOIXVQAXFC-UHFFFAOYSA-N -1 1 329.396 2.797 20 10 EFCDMM CCOCC[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000771637010 581229294 /nfs/dbraw/zinc/22/92/94/581229294.db2.gz TVUCHOIXVQAXFC-UHFFFAOYSA-N -1 1 329.396 2.797 20 10 EFCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000833486845 604578490 /nfs/dbraw/zinc/57/84/90/604578490.db2.gz SICVBHSSGVOJDD-UHFFFAOYSA-N -1 1 330.768 2.887 20 10 EFCDMM COc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1O ZINC000826215979 608377296 /nfs/dbraw/zinc/37/72/96/608377296.db2.gz FSODVYGDMZYHIV-UHFFFAOYSA-N -1 1 348.366 2.741 20 10 EFCDMM COc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1O ZINC000826215979 608377298 /nfs/dbraw/zinc/37/72/98/608377298.db2.gz FSODVYGDMZYHIV-UHFFFAOYSA-N -1 1 348.366 2.741 20 10 EFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc(CO)nc3)c([O-])cc21 ZINC001212380064 1258731192 /nfs/dbraw/zinc/73/11/92/1258731192.db2.gz BDFXKHXJZXNSHH-UHFFFAOYSA-N -1 1 346.342 2.799 20 10 EFCDMM O=C1N=NCN1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000825496651 1267095244 /nfs/dbraw/zinc/09/52/44/1267095244.db2.gz UELFZCKHZVORMT-UHFFFAOYSA-N -1 1 343.214 2.833 20 10 EFCDMM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1cc(F)c(F)cc1[O-] ZINC001273379366 1269282072 /nfs/dbraw/zinc/28/20/72/1269282072.db2.gz UNIHPOGYPFUPOM-MRXNPFEDSA-N -1 1 346.324 2.502 20 10 EFCDMM O=C([O-])[C@@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706637701 1274800396 /nfs/dbraw/zinc/80/03/96/1274800396.db2.gz VOYMYRKPZQGETG-ZJUUUORDSA-N -1 1 328.206 2.888 20 10 EFCDMM O=C(CNc1cccc(COCC2CC2)n1)c1ccc([O-])c(O)c1 ZINC001170316396 1279009472 /nfs/dbraw/zinc/00/94/72/1279009472.db2.gz PHYGFUSMYNBSEP-UHFFFAOYSA-N -1 1 328.368 2.714 20 10 EFCDMM O=C(CNc1cc2cc[nH]c2c([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC001170314966 1279009727 /nfs/dbraw/zinc/00/97/27/1279009727.db2.gz NDUTYJZOXPYHGU-UHFFFAOYSA-N -1 1 327.296 2.782 20 10 EFCDMM CC(C)[S@](=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170315422 1279010104 /nfs/dbraw/zinc/01/01/04/1279010104.db2.gz YDMRDAOHILWAAA-QHCPKHFHSA-N -1 1 333.409 2.909 20 10 EFCDMM COc1ncc(NCC(=O)c2ccc([O-])c(O)c2)cc1C(F)(F)F ZINC001170315370 1279010224 /nfs/dbraw/zinc/01/02/24/1279010224.db2.gz WLGOBTLEXRJXRL-UHFFFAOYSA-N -1 1 342.273 2.815 20 10 EFCDMM O=C(CNc1cncc(Oc2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC001170316485 1279010719 /nfs/dbraw/zinc/01/07/19/1279010719.db2.gz FZDSIOIZYNJONB-UHFFFAOYSA-N -1 1 337.335 2.975 20 10 EFCDMM Cc1ccc(-c2cnnc(NCC(=O)c3ccc([O-])c(O)c3)n2)cc1 ZINC001170316890 1279011979 /nfs/dbraw/zinc/01/19/79/1279011979.db2.gz UIAVDPPZXFFYQJ-UHFFFAOYSA-N -1 1 336.351 2.553 20 10 EFCDMM COC(=O)c1c(C)cc(F)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170322256 1279014639 /nfs/dbraw/zinc/01/46/39/1279014639.db2.gz IHDOLGIQHYOGCH-UHFFFAOYSA-N -1 1 333.315 2.627 20 10 EFCDMM COc1ccc(N2CC[C@H](CNC(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000819589958 1276833658 /nfs/dbraw/zinc/83/36/58/1276833658.db2.gz UYELRJMWMSXHJG-CYBMUJFWSA-N -1 1 344.386 2.796 20 10 EFCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccc(-n2cccn2)cc1 ZINC000789990777 1277151759 /nfs/dbraw/zinc/15/17/59/1277151759.db2.gz RAKUSIHYBXAZPB-LLVKDONJSA-N -1 1 341.342 2.914 20 10 EFCDMM CCC1(CC)[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@H](C)[C@@H]1OC ZINC000789994325 1277154277 /nfs/dbraw/zinc/15/42/77/1277154277.db2.gz CGGKFEFYZOSMKP-AMFBXLIHSA-N -1 1 325.380 2.806 20 10 EFCDMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1c(F)ccc(O)c1[O-] ZINC000789995678 1277154390 /nfs/dbraw/zinc/15/43/90/1277154390.db2.gz RLSOTSANHDRRCD-UHFFFAOYSA-N -1 1 337.297 2.977 20 10 EFCDMM O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1c([O-])c(O)ccc1F ZINC000789996545 1277154968 /nfs/dbraw/zinc/15/49/68/1277154968.db2.gz QSMTXKYHEYQFKE-MRXNPFEDSA-N -1 1 341.338 2.854 20 10 EFCDMM CCCC(=O)Nc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000790069147 1277204530 /nfs/dbraw/zinc/20/45/30/1277204530.db2.gz LSLLIRFJWYUYFV-UHFFFAOYSA-N -1 1 346.358 2.906 20 10 EFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000790417751 1277528860 /nfs/dbraw/zinc/52/88/60/1277528860.db2.gz NHHMFSNCJNJLRX-UHFFFAOYSA-N -1 1 334.353 2.602 20 10 EFCDMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1ccc(C)cc1 ZINC000805606856 1280631909 /nfs/dbraw/zinc/63/19/09/1280631909.db2.gz BWAKBQMANSZQPY-UHFFFAOYSA-N -1 1 338.367 2.560 20 10 EFCDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000808093457 1281534181 /nfs/dbraw/zinc/53/41/81/1281534181.db2.gz OTLKKEWVYFMRTJ-UHFFFAOYSA-N -1 1 348.424 2.593 20 10 EFCDMM Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1S(N)(=O)=O ZINC000808440419 1281712261 /nfs/dbraw/zinc/71/22/61/1281712261.db2.gz JPOXRLLLGKTYMU-UHFFFAOYSA-N -1 1 344.795 2.753 20 10 EFCDMM COC[C@H](C)[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000812557771 1285244490 /nfs/dbraw/zinc/24/44/90/1285244490.db2.gz KRBXFKNWGFEQMG-VHSXEESVSA-N -1 1 330.222 2.690 20 10 EFCDMM CN1CCN(c2ccc(CNc3ccc(F)c(C(=O)[O-])c3)cc2)CC1 ZINC000813357484 1285834762 /nfs/dbraw/zinc/83/47/62/1285834762.db2.gz PRUKRXUWOOEBDE-UHFFFAOYSA-N -1 1 343.402 2.888 20 10 EFCDMM COc1ncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001174035701 1286883630 /nfs/dbraw/zinc/88/36/30/1286883630.db2.gz KGQQEWOAQHRKHR-UHFFFAOYSA-N -1 1 347.330 2.710 20 10 EFCDMM Cc1nn(C)cc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001174336873 1286980399 /nfs/dbraw/zinc/98/03/99/1286980399.db2.gz GYSLYZOTIYEWSH-UHFFFAOYSA-N -1 1 333.347 2.953 20 10 EFCDMM O=C1CN(c2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2)CCN1 ZINC000816522751 1288202578 /nfs/dbraw/zinc/20/25/78/1288202578.db2.gz MMYKFYIMERLQDA-UHFFFAOYSA-N -1 1 349.793 2.733 20 10 EFCDMM CN(C)C(=O)OC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000816654612 1288229704 /nfs/dbraw/zinc/22/97/04/1288229704.db2.gz PXPZACBUSHTWOX-UHFFFAOYSA-N -1 1 330.787 2.847 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])C1(Br)CC1 ZINC000822458473 1288998369 /nfs/dbraw/zinc/99/83/69/1288998369.db2.gz HMUHGXHYKUSJIE-UHFFFAOYSA-N -1 1 349.022 2.698 20 10 EFCDMM O=C(CNC(=O)C1(C(F)(F)F)CCCC1)c1ccc([O-])c(O)c1 ZINC001180479617 1289533853 /nfs/dbraw/zinc/53/38/53/1289533853.db2.gz TZBNBRHGKYNJMX-UHFFFAOYSA-N -1 1 331.290 2.519 20 10 EFCDMM COC(=O)[C@H]1CCCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233027151 1312835051 /nfs/dbraw/zinc/83/50/51/1312835051.db2.gz LFSBOQRJNQPGGS-VIFPVBQESA-N -1 1 346.196 2.679 20 10 EFCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@H](O)[C@@H](F)CC1 ZINC001233028537 1312835995 /nfs/dbraw/zinc/83/59/95/1312835995.db2.gz QFWBTLNQSWLGEG-JQWIXIFHSA-N -1 1 336.176 2.589 20 10 EFCDMM C[C@@H]1CC[C@@H](CO)CN1Cc1c([O-])cc(Br)cc1F ZINC001233028261 1312836698 /nfs/dbraw/zinc/83/66/98/1312836698.db2.gz LMAIGKYFFJHGAQ-NXEZZACHSA-N -1 1 332.213 2.887 20 10 EFCDMM O=C(CNC(=O)c1ccccc1-c1cccnc1)c1ccc([O-])c(O)c1 ZINC001188049845 1291291309 /nfs/dbraw/zinc/29/13/09/1291291309.db2.gz KYFAXXSYWIONKZ-UHFFFAOYSA-N -1 1 348.358 2.773 20 10 EFCDMM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CC[C@]1(O)C(F)(F)F ZINC001233074219 1312848991 /nfs/dbraw/zinc/84/89/91/1312848991.db2.gz LFHROTQTWDENSZ-AMIZOPFISA-N -1 1 325.277 2.806 20 10 EFCDMM [O-]c1c(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)ccc(F)c1F ZINC001233074896 1312849245 /nfs/dbraw/zinc/84/92/45/1312849245.db2.gz ZQNRYOWUTUUAOO-GXFFZTMASA-N -1 1 343.267 2.898 20 10 EFCDMM [O-]c1c(CN2CCCC[C@](O)(C(F)(F)F)C2)ccc(F)c1F ZINC001233076018 1312849821 /nfs/dbraw/zinc/84/98/21/1312849821.db2.gz JJKOZGSPAAWOFR-CYBMUJFWSA-N -1 1 325.277 2.950 20 10 EFCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2ncn(C)c21 ZINC001233333177 1312905071 /nfs/dbraw/zinc/90/50/71/1312905071.db2.gz MIQRHUNQXUTLFE-LLVKDONJSA-N -1 1 337.370 2.540 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1[C@H](CO)CCC[C@H]1C(F)(F)F ZINC001233332539 1312905303 /nfs/dbraw/zinc/90/53/03/1312905303.db2.gz ONRCTQGOYAYKBQ-UFBFGSQYSA-N -1 1 325.277 2.948 20 10 EFCDMM O=C(c1ccco1)N1CCCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335336 1312905622 /nfs/dbraw/zinc/90/56/22/1312905622.db2.gz QOYYGIRGZCGJQX-UHFFFAOYSA-N -1 1 336.338 2.612 20 10 EFCDMM [O-]c1c(CN2C[C@H](CO)CC(F)(F)C2)cccc1C(F)(F)F ZINC001233415629 1312927857 /nfs/dbraw/zinc/92/78/57/1312927857.db2.gz CZONCONJGFNTCO-SECBINFHSA-N -1 1 325.277 2.861 20 10 EFCDMM COc1cc(C(=O)N2CCc3cccc(O)c3C2)cc(Cl)c1[O-] ZINC001191147402 1292478603 /nfs/dbraw/zinc/47/86/03/1292478603.db2.gz ORVGWXDNTXVSSJ-UHFFFAOYSA-N -1 1 333.771 2.958 20 10 EFCDMM [O-]c1c(CN2CC(N3CCC(F)(F)C3)C2)cccc1C(F)(F)F ZINC001233418576 1312928967 /nfs/dbraw/zinc/92/89/67/1312928967.db2.gz MJAKFNXOSNDLJF-UHFFFAOYSA-N -1 1 336.304 2.936 20 10 EFCDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(O)cc3)c2)o1 ZINC001192219630 1292837046 /nfs/dbraw/zinc/83/70/46/1292837046.db2.gz FEABGSMXBJTUTE-UHFFFAOYSA-N -1 1 331.353 2.551 20 10 EFCDMM COC(=O)/C=C/c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)nc1 ZINC001193219380 1293199613 /nfs/dbraw/zinc/19/96/13/1293199613.db2.gz GQSSRCUFQMNDHO-XVNBXDOJSA-N -1 1 348.742 2.585 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001193232480 1293205648 /nfs/dbraw/zinc/20/56/48/1293205648.db2.gz LDXQHPVFHUQJPM-UHFFFAOYSA-N -1 1 349.770 2.751 20 10 EFCDMM O=C(Nc1ccc(-n2ccnn2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193232685 1293206285 /nfs/dbraw/zinc/20/62/85/1293206285.db2.gz NGEHTAVUHZCZEO-UHFFFAOYSA-N -1 1 330.731 2.584 20 10 EFCDMM Cn1nc(CNC(=O)c2ccc(O)c([O-])c2Cl)c2ccccc21 ZINC001193247304 1293213546 /nfs/dbraw/zinc/21/35/46/1293213546.db2.gz UBHQNIOTVZKYHY-UHFFFAOYSA-N -1 1 331.759 2.568 20 10 EFCDMM CC(=O)Nc1ccc(O)c(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193230352 1293226917 /nfs/dbraw/zinc/22/69/17/1293226917.db2.gz TWFFXZXMNHYPPC-UHFFFAOYSA-N -1 1 336.731 2.668 20 10 EFCDMM CN(C)c1nc(NCc2cc(Cl)cc(Br)c2[O-])n[nH]1 ZINC000883117834 1293468433 /nfs/dbraw/zinc/46/84/33/1293468433.db2.gz JBSAMTLSNFQYCU-UHFFFAOYSA-N -1 1 346.616 2.604 20 10 EFCDMM CCn1nc(C)c(CNCc2cc(Br)cc(F)c2[O-])n1 ZINC000883150028 1293481292 /nfs/dbraw/zinc/48/12/92/1293481292.db2.gz SAPVWISKVNAFAV-UHFFFAOYSA-N -1 1 343.200 2.503 20 10 EFCDMM CCCN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000775644018 1293846822 /nfs/dbraw/zinc/84/68/22/1293846822.db2.gz ZRYXSUMHUXRKPY-LBPRGKRZSA-N -1 1 335.828 2.584 20 10 EFCDMM CSc1cccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1F ZINC001197112411 1294461905 /nfs/dbraw/zinc/46/19/05/1294461905.db2.gz CVJDLVPUNSJTNO-UHFFFAOYSA-N -1 1 335.356 2.572 20 10 EFCDMM CCOc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1CC ZINC001198202722 1294920207 /nfs/dbraw/zinc/92/02/07/1294920207.db2.gz ATHPTSPRLRDAHB-UHFFFAOYSA-N -1 1 343.379 2.672 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C ZINC001234476986 1313136332 /nfs/dbraw/zinc/13/63/32/1313136332.db2.gz QMYWVMPMDKMTJA-BJOHPYRUSA-N -1 1 337.372 2.687 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001234476988 1313136606 /nfs/dbraw/zinc/13/66/06/1313136606.db2.gz QMYWVMPMDKMTJA-PSLIRLAXSA-N -1 1 337.372 2.687 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C(=O)OCc1ccccc1 ZINC001234475614 1313136676 /nfs/dbraw/zinc/13/66/76/1313136676.db2.gz GTKDCGMFMABVKP-LBPRGKRZSA-N -1 1 330.336 2.811 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](F)C(=O)C2)c1 ZINC001236663952 1313506124 /nfs/dbraw/zinc/50/61/24/1313506124.db2.gz RDBQABFNJXHQNS-GFCCVEGCSA-N -1 1 330.197 2.966 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2C[C@H](CO)C[C@H](F)C2)c1 ZINC001236664768 1313506168 /nfs/dbraw/zinc/50/61/68/1313506168.db2.gz WUVGFIMHPMNSBA-PWSUYJOCSA-N -1 1 332.213 2.615 20 10 EFCDMM CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236806116 1313533539 /nfs/dbraw/zinc/53/35/39/1313533539.db2.gz MTBXDBAUEJFZEA-LLVKDONJSA-N -1 1 326.824 2.545 20 10 EFCDMM COc1cc([O-])c(CN(C)Cc2nnc3ccccn32)c(Cl)c1 ZINC001236798324 1313531014 /nfs/dbraw/zinc/53/10/14/1313531014.db2.gz NHXCOLLFHOSJRM-UHFFFAOYSA-N -1 1 332.791 2.729 20 10 EFCDMM COc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c([O-])c1Cl ZINC001236801671 1313531501 /nfs/dbraw/zinc/53/15/01/1313531501.db2.gz LDNZANGIBFMPQV-LBPRGKRZSA-N -1 1 325.714 2.553 20 10 EFCDMM CCOC(=O)[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CCC1=O ZINC001237078514 1313583396 /nfs/dbraw/zinc/58/33/96/1313583396.db2.gz UAMKWFOYRJAOPU-JTQLQIEISA-N -1 1 346.210 2.653 20 10 EFCDMM CS(=O)(=O)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084603 1313583764 /nfs/dbraw/zinc/58/37/64/1313583764.db2.gz LSNAMOBAOIHLSY-VIFPVBQESA-N -1 1 338.256 2.708 20 10 EFCDMM O=C1NC[C@@]2(CCCN(Cc3c([O-])ccc(Cl)c3Cl)C2)O1 ZINC001237083419 1313584411 /nfs/dbraw/zinc/58/44/11/1313584411.db2.gz CUTIMSHTZZKIED-CQSZACIVSA-N -1 1 331.199 2.773 20 10 EFCDMM COC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2cn(C)nc21 ZINC001237123587 1313590619 /nfs/dbraw/zinc/59/06/19/1313590619.db2.gz JOXZSKWFVADBPK-NSHDSACASA-N -1 1 339.798 2.664 20 10 EFCDMM CN1C(=O)C2(CCCC2)N[C@@H]1c1ccc(Br)cc1[O-] ZINC000853007497 1299969553 /nfs/dbraw/zinc/96/95/53/1299969553.db2.gz BBLFHAUQCGQYQB-LBPRGKRZSA-N -1 1 325.206 2.528 20 10 EFCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001237623781 1313678844 /nfs/dbraw/zinc/67/88/44/1313678844.db2.gz KHXVZSAKVQLWNS-LBPRGKRZSA-N -1 1 341.745 2.767 20 10 EFCDMM O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001276537857 1313704776 /nfs/dbraw/zinc/70/47/76/1313704776.db2.gz NYRROVDYVDDVNQ-GASCZTMLSA-N -1 1 346.427 2.621 20 10 EFCDMM CC[C@@H]1COCCN1Cc1cccc(I)c1[O-] ZINC001237782675 1313705541 /nfs/dbraw/zinc/70/55/41/1313705541.db2.gz GQXQGGARTKKPAN-LLVKDONJSA-N -1 1 347.196 2.608 20 10 EFCDMM [O-]c1c(I)cccc1CN1CCC(F)(F)C1 ZINC001237782632 1313705635 /nfs/dbraw/zinc/70/56/35/1313705635.db2.gz FTXKKXMQVKWJJU-UHFFFAOYSA-N -1 1 339.123 2.838 20 10 EFCDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000776746386 1300598416 /nfs/dbraw/zinc/59/84/16/1300598416.db2.gz XWDQZDONBGGWLS-UHFFFAOYSA-N -1 1 341.772 2.633 20 10 EFCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)ccc1O ZINC000776748600 1300622938 /nfs/dbraw/zinc/62/29/38/1300622938.db2.gz SOEUQECNUQQCDY-UHFFFAOYSA-N -1 1 339.344 2.647 20 10 EFCDMM CC(C)C(=O)N[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237801258 1313708089 /nfs/dbraw/zinc/70/80/89/1313708089.db2.gz GEXNXFQLJPWZAC-CYBMUJFWSA-N -1 1 328.815 2.921 20 10 EFCDMM CCO[C@@H]1CN(Cc2cc(F)cc(Cl)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001237802104 1313709163 /nfs/dbraw/zinc/70/91/63/1313709163.db2.gz YCLQUNIFTFGBSA-FMKPAKJESA-N -1 1 329.799 2.953 20 10 EFCDMM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000776750792 1300646865 /nfs/dbraw/zinc/64/68/65/1300646865.db2.gz LGPRULIAWRRMHW-UHFFFAOYSA-N -1 1 339.756 2.517 20 10 EFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(c2nccs2)CC1 ZINC001237934766 1313734031 /nfs/dbraw/zinc/73/40/31/1313734031.db2.gz NMZPKFLFNJMWCR-UHFFFAOYSA-N -1 1 327.812 2.963 20 10 EFCDMM CCn1ncnc1CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000794842593 1303283403 /nfs/dbraw/zinc/28/34/03/1303283403.db2.gz RGWSJOSZDHNYMV-MRVPVSSYSA-N -1 1 343.200 2.756 20 10 EFCDMM CCn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000867830569 1303975278 /nfs/dbraw/zinc/97/52/78/1303975278.db2.gz CDISXJDMQMYCNF-UHFFFAOYSA-N -1 1 338.205 2.610 20 10 EFCDMM Cc1cccc(CO[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000869641378 1304893503 /nfs/dbraw/zinc/89/35/03/1304893503.db2.gz LZGPQMFQPXYUMA-CYBMUJFWSA-N -1 1 344.363 2.737 20 10 EFCDMM Cc1cccc(CO[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000869641379 1304893602 /nfs/dbraw/zinc/89/36/02/1304893602.db2.gz LZGPQMFQPXYUMA-ZDUSSCGKSA-N -1 1 344.363 2.737 20 10 EFCDMM CCOC(=O)c1cc2c(cc(C)nc2-c2ccc(C(=O)[O-])nc2)n1C ZINC001242332880 1314199311 /nfs/dbraw/zinc/19/93/11/1314199311.db2.gz BOZZJKZNDMYEDR-UHFFFAOYSA-N -1 1 339.351 2.819 20 10 EFCDMM CCN(CC)c1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000900261634 1307838034 /nfs/dbraw/zinc/83/80/34/1307838034.db2.gz VJDBTUJLETYZRC-UHFFFAOYSA-N -1 1 340.427 2.836 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000901703902 1310907964 /nfs/dbraw/zinc/90/79/64/1310907964.db2.gz LHVOQTGNLPOMNH-JTQLQIEISA-N -1 1 335.381 2.525 20 10 EFCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2OC)cc1C ZINC000901704308 1310908798 /nfs/dbraw/zinc/90/87/98/1310908798.db2.gz PVVJVQKEOARWFA-UHFFFAOYSA-N -1 1 337.397 2.827 20 10 EFCDMM O=S(=O)([N-]c1cc(F)c(O)cc1Cl)c1cn2c(n1)CCCC2 ZINC000901962376 1311246957 /nfs/dbraw/zinc/24/69/57/1311246957.db2.gz FVNNBJNAKTYYLV-UHFFFAOYSA-N -1 1 345.783 2.518 20 10 EFCDMM O=C(CNc1cnc2ccc(Cl)cc2n1)c1ccc([O-])c(O)c1 ZINC001159277185 1311484356 /nfs/dbraw/zinc/48/43/56/1311484356.db2.gz QEAKGGJZUOTWAM-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1ncc([N+](=O)[O-])c2ccccc21)c1ccc([O-])c(O)c1 ZINC001159277307 1311484472 /nfs/dbraw/zinc/48/44/72/1311484472.db2.gz UFDKTXYTLSWWHM-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM CCc1cc2c(nc(Cl)nc2NCC(=O)c2ccc([O-])c(O)c2)[nH]1 ZINC001159279514 1311484759 /nfs/dbraw/zinc/48/47/59/1311484759.db2.gz QZNCOBIOQLELFJ-UHFFFAOYSA-N -1 1 346.774 2.831 20 10 EFCDMM O=C(CNc1nccc(-c2ccc(F)cc2)n1)c1ccc([O-])c(O)c1 ZINC001159276179 1311484855 /nfs/dbraw/zinc/48/48/55/1311484855.db2.gz FUYAUFIBKBYINQ-UHFFFAOYSA-N -1 1 339.326 2.989 20 10 EFCDMM O=C(CNc1cc(-c2cccs2)ncn1)c1ccc([O-])c(O)c1 ZINC001159280172 1311484979 /nfs/dbraw/zinc/48/49/79/1311484979.db2.gz DHNIMKJDUIOQGB-UHFFFAOYSA-N -1 1 327.365 2.911 20 10 EFCDMM COc1ccc2nc(NCC(=O)c3ccc([O-])c(O)c3)c(C)nc2c1 ZINC001159280555 1311485577 /nfs/dbraw/zinc/48/55/77/1311485577.db2.gz XPFGRERJISNSAI-UHFFFAOYSA-N -1 1 339.351 2.653 20 10 EFCDMM CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447435 1312499682 /nfs/dbraw/zinc/49/96/82/1312499682.db2.gz TYOQWMXTFXHDGJ-GOSISDBHSA-N -1 1 335.400 2.646 20 10 EFCDMM CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447435 1312499684 /nfs/dbraw/zinc/49/96/84/1312499684.db2.gz TYOQWMXTFXHDGJ-GOSISDBHSA-N -1 1 335.400 2.646 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC001231564066 1312525515 /nfs/dbraw/zinc/52/55/15/1312525515.db2.gz NTSIHWYBKCLRMM-UHFFFAOYSA-N -1 1 330.359 2.552 20 10 EFCDMM [O-]c1cc(O)c(CN2Cc3cnn(C4CCOCC4)c3C2)cc1Cl ZINC001232263639 1312660787 /nfs/dbraw/zinc/66/07/87/1312660787.db2.gz UHPRMVCJFBUZNJ-UHFFFAOYSA-N -1 1 349.818 2.815 20 10 EFCDMM CN(C)c1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000019540785 1314489648 /nfs/dbraw/zinc/48/96/48/1314489648.db2.gz PJFVOAWHXPYWQL-UHFFFAOYSA-N -1 1 328.441 2.683 20 10 EFCDMM O=C(CNC(=S)Nc1cc(F)ccc1F)c1ccc([O-])c(O)c1 ZINC001248617496 1314948117 /nfs/dbraw/zinc/94/81/17/1314948117.db2.gz BFAXDWOSGWVWMM-UHFFFAOYSA-N -1 1 338.335 2.545 20 10 EFCDMM COc1cnc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c(OC)c1 ZINC001216954347 1315026039 /nfs/dbraw/zinc/02/60/39/1315026039.db2.gz WVLJLBLFKNAMFD-UHFFFAOYSA-N -1 1 349.730 2.880 20 10 EFCDMM CCCS(=O)(=O)[N-]c1c(C)ccc2c1C(=O)c1ccccc1C2=O ZINC001253693091 1315628602 /nfs/dbraw/zinc/62/86/02/1315628602.db2.gz ZSCNYJGJNMTKHR-UHFFFAOYSA-N -1 1 343.404 2.922 20 10 EFCDMM C[C@@H]1SCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000827650955 1316009987 /nfs/dbraw/zinc/00/99/87/1316009987.db2.gz VUGKYUIKBXTXSO-KWQFWETISA-N -1 1 345.262 2.848 20 10 EFCDMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC001259522991 1316256293 /nfs/dbraw/zinc/25/62/93/1316256293.db2.gz FOLGTQLFDXRWTQ-UHFFFAOYSA-N -1 1 346.452 2.941 20 10 EFCDMM O=S(=O)(CCc1cccc(F)c1)Nc1cc(F)c([O-])c(F)c1 ZINC001259773437 1316276126 /nfs/dbraw/zinc/27/61/26/1316276126.db2.gz HTLGOWWQEINBEX-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM COc1ccc(C)cc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001260298136 1316330202 /nfs/dbraw/zinc/33/02/02/1316330202.db2.gz BIAZIUGAOPAKTP-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM COc1ccc(C)cc1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001260297991 1316330542 /nfs/dbraw/zinc/33/05/42/1316330542.db2.gz KQQVSETXAGDYMM-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1O ZINC001260356265 1316334339 /nfs/dbraw/zinc/33/43/39/1316334339.db2.gz PRELIACKGUMFRJ-MRVPVSSYSA-N -1 1 331.315 2.849 20 10 EFCDMM O=S(=O)([N-]c1cc(O)ccc1Cl)c1cccc2nsnc21 ZINC001260388139 1316336729 /nfs/dbraw/zinc/33/67/29/1316336729.db2.gz UTSHNXRIKQRNMO-UHFFFAOYSA-N -1 1 341.801 2.851 20 10 EFCDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c1 ZINC001260811567 1316370769 /nfs/dbraw/zinc/37/07/69/1316370769.db2.gz XYVDDINUHGWKPC-UHFFFAOYSA-N -1 1 333.413 2.512 20 10 EFCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000399042842 1316423454 /nfs/dbraw/zinc/42/34/54/1316423454.db2.gz CQPPTTYCPZALGW-GXSJLCMTSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000399042842 1316423455 /nfs/dbraw/zinc/42/34/55/1316423455.db2.gz CQPPTTYCPZALGW-GXSJLCMTSA-N -1 1 328.206 2.697 20 10 EFCDMM CCOc1ccc(N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC001319718484 1328962991 /nfs/dbraw/zinc/96/29/91/1328962991.db2.gz PXSUHSAAQWZSHB-UHFFFAOYSA-N -1 1 344.386 2.892 20 10 EFCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc3c(c2)CCC3)n1 ZINC000747654153 1324583747 /nfs/dbraw/zinc/58/37/47/1324583747.db2.gz KVGWDLFTXYTIOO-UHFFFAOYSA-N -1 1 329.429 2.596 20 10 EFCDMM Cn1cc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2)cn1 ZINC001321071755 1329339464 /nfs/dbraw/zinc/33/94/64/1329339464.db2.gz DLBNAMYYWPLFKI-WOJGMQOQSA-N -1 1 344.374 2.549 20 10 EFCDMM Cc1ccccc1OCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC001324770972 1329657298 /nfs/dbraw/zinc/65/72/98/1329657298.db2.gz DDDPAXXNAFOASG-UHFFFAOYSA-N -1 1 330.336 2.601 20 10 EFCDMM CC(C)(C)OC(=O)CCCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC001325165233 1329673923 /nfs/dbraw/zinc/67/39/23/1329673923.db2.gz HVKQGFUKCQMWLJ-UHFFFAOYSA-N -1 1 341.379 2.869 20 10 EFCDMM O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1nc(-c2ccccc2)c[nH]1 ZINC001343882872 1332388243 /nfs/dbraw/zinc/38/82/43/1332388243.db2.gz AOMRBULWSHWNJU-PTNGSMBKSA-N -1 1 330.347 2.538 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC001344337344 1332443503 /nfs/dbraw/zinc/44/35/03/1332443503.db2.gz UZAKOGFHCJTSOF-UHFFFAOYSA-N -1 1 329.327 2.630 20 10 EFCDMM O=C(/C=C/c1nccs1)NCc1cccc(Br)c1[O-] ZINC001348391785 1332832358 /nfs/dbraw/zinc/83/23/58/1332832358.db2.gz OMCKDCGUUSGOFQ-SNAWJCMRSA-N -1 1 339.214 2.941 20 10 EFCDMM COCCN(Cc1cc(Cl)cc(F)c1[O-])C[C@H](O)C(F)(F)F ZINC000848921433 1334987677 /nfs/dbraw/zinc/98/76/77/1334987677.db2.gz BAALNJSQSFINHF-NSHDSACASA-N -1 1 345.720 2.556 20 10 EFCDMM O=C(CC[C@H]1CC1(Cl)Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000849874142 1335788166 /nfs/dbraw/zinc/78/81/66/1335788166.db2.gz PCTUSMIZPLYRQI-VIFPVBQESA-N -1 1 333.167 2.798 20 10 EFCDMM CN(C)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736778094 1428622472 /nfs/dbraw/zinc/62/24/72/1428622472.db2.gz ADZIKIAIDHAPRS-UHFFFAOYSA-N -1 1 329.795 2.593 20 10 EFCDMM O=C([O-])[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001601640131 1413588732 /nfs/dbraw/zinc/58/87/32/1413588732.db2.gz JEERTZWNFYXWNB-QMMMGPOBSA-N -1 1 342.111 2.650 20 10 EFCDMM CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812637 1429500541 /nfs/dbraw/zinc/50/05/41/1429500541.db2.gz PKJRWKZWFYEYHD-YCRREMRBSA-N -1 1 340.774 2.591 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821827520 1423467650 /nfs/dbraw/zinc/46/76/50/1423467650.db2.gz DUPUOBINDOUNNV-UHFFFAOYSA-N -1 1 331.326 2.790 20 10 EFCDMM Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000187330292 1423922584 /nfs/dbraw/zinc/92/25/84/1423922584.db2.gz KEYJCDNCCLFCQX-SNVBAGLBSA-N -1 1 344.444 2.544 20 10 EFCDMM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc(Cl)c1O ZINC000826186843 1425808473 /nfs/dbraw/zinc/80/84/73/1425808473.db2.gz MMUNJGUVNPOOFL-UHFFFAOYSA-N -1 1 331.763 2.846 20 10 EFCDMM CCOc1ccc(N(C)CCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000736644370 1426159604 /nfs/dbraw/zinc/15/96/04/1426159604.db2.gz JQTUCEYAEVEFRO-UHFFFAOYSA-N -1 1 339.399 2.781 20 10 EFCDMM CC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736324754 1426943131 /nfs/dbraw/zinc/94/31/31/1426943131.db2.gz ICQCHNDEYHWZEN-LLVKDONJSA-N -1 1 338.415 2.803 20 10 EFCDMM CCOc1ccc(N(C)CCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736644170 1441646890 /nfs/dbraw/zinc/64/68/90/1441646890.db2.gz GJIZQZUEVXRYMQ-UHFFFAOYSA-N -1 1 339.399 2.781 20 10 EFCDMM CCN(Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825434619 1442243015 /nfs/dbraw/zinc/24/30/15/1442243015.db2.gz BQTHMXJDDOJUBO-UHFFFAOYSA-N -1 1 339.399 2.910 20 10 EFCDMM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000097376515 715198439 /nfs/dbraw/zinc/19/84/39/715198439.db2.gz VURVGGAMMSANFQ-LLVKDONJSA-N -1 1 346.408 2.528 20 10 EFCDMM CCOC(=O)C[N@H+](Cc1cc(Br)ccc1O)C(C)C ZINC000179423976 717463017 /nfs/dbraw/zinc/46/30/17/717463017.db2.gz XDAMJXLVOJRXHO-UHFFFAOYSA-N -1 1 330.222 2.928 20 10 EFCDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1O ZINC000013464127 719010668 /nfs/dbraw/zinc/01/06/68/719010668.db2.gz FUJHPFOTCXSQKK-UHFFFAOYSA-N -1 1 345.735 2.684 20 10 EFCDMM Cc1nnc(SCC(=O)c2ccc([O-])c(O)c2)n1-c1ccccc1 ZINC000006109290 720019096 /nfs/dbraw/zinc/01/90/96/720019096.db2.gz HWRHCEXMYZQALD-UHFFFAOYSA-N -1 1 341.392 2.962 20 10 EFCDMM CN(Cc1nnc[nH]1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894036166 720236287 /nfs/dbraw/zinc/23/62/87/720236287.db2.gz SJMWTMCAECCELT-UHFFFAOYSA-N -1 1 331.601 2.558 20 10 EFCDMM Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000894748557 722833360 /nfs/dbraw/zinc/83/33/60/722833360.db2.gz OTZRTYSCWBUDIO-ZDUSSCGKSA-N -1 1 325.277 2.950 20 10 EFCDMM [O-]c1c(F)cc(Br)cc1CN1CC2(C1)CCOCC2 ZINC000894977485 723041893 /nfs/dbraw/zinc/04/18/93/723041893.db2.gz UGIIAKPEUUYQIM-UHFFFAOYSA-N -1 1 330.197 2.906 20 10 EFCDMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(N(C)C)cc1 ZINC000907493845 726953903 /nfs/dbraw/zinc/95/39/03/726953903.db2.gz VEDJCESLFVRPEZ-NSHDSACASA-N -1 1 326.400 2.617 20 10 EFCDMM O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc([O-])c(O)c1 ZINC000916590277 727698927 /nfs/dbraw/zinc/69/89/27/727698927.db2.gz XEBJYYJLOLIFSG-UHFFFAOYSA-N -1 1 338.315 2.996 20 10 EFCDMM CC(C)Oc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916591554 727699097 /nfs/dbraw/zinc/69/90/97/727699097.db2.gz ULHNRIQXSGBLNL-UHFFFAOYSA-N -1 1 330.336 2.925 20 10 EFCDMM Cc1cccc(C)c1OCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916594117 727701151 /nfs/dbraw/zinc/70/11/51/727701151.db2.gz QXRJLGVZMZPFRY-UHFFFAOYSA-N -1 1 330.336 2.520 20 10 EFCDMM CSc1cccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1 ZINC000920974298 729250185 /nfs/dbraw/zinc/25/01/85/729250185.db2.gz HNIXJCYPBFQUPQ-MDWZMJQESA-N -1 1 349.481 2.604 20 10 EFCDMM CCCCCC[C@@H](C)NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920977152 729250262 /nfs/dbraw/zinc/25/02/62/729250262.db2.gz ZWMPYDGFAMSDMP-PCRWRXJSSA-N -1 1 339.505 2.718 20 10 EFCDMM O=C([O-])C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691420750 954683328 /nfs/dbraw/zinc/68/33/28/954683328.db2.gz AWUOYHNYQDUPCB-SNVBAGLBSA-N -1 1 328.206 2.841 20 10 EFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691420750 954683338 /nfs/dbraw/zinc/68/33/38/954683338.db2.gz AWUOYHNYQDUPCB-SNVBAGLBSA-N -1 1 328.206 2.841 20 10 EFCDMM O=C([O-])C[C@@H]1CSCCN1Cc1cc(Br)ccc1O ZINC000236435741 960596843 /nfs/dbraw/zinc/59/68/43/960596843.db2.gz ZULRAGFIUIEBOF-LLVKDONJSA-N -1 1 346.246 2.547 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000236438889 960601676 /nfs/dbraw/zinc/60/16/76/960601676.db2.gz GPJWUXPAPWQHKR-IUPBHXKESA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000236438889 960601686 /nfs/dbraw/zinc/60/16/86/960601686.db2.gz GPJWUXPAPWQHKR-IUPBHXKESA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000236453422 960626501 /nfs/dbraw/zinc/62/65/01/960626501.db2.gz MPFZFAHXCLVRDI-GFCCVEGCSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000236453422 960626505 /nfs/dbraw/zinc/62/65/05/960626505.db2.gz MPFZFAHXCLVRDI-GFCCVEGCSA-N -1 1 328.206 2.984 20 10 EFCDMM COc1c([O-])c(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001574177192 962794767 /nfs/dbraw/zinc/79/47/67/962794767.db2.gz NYVORSYUBDAWIU-LLVKDONJSA-N -1 1 340.376 2.678 20 10 EFCDMM C[C@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306034529 963178844 /nfs/dbraw/zinc/17/88/44/963178844.db2.gz LWKFKDFJVVNZNY-JOYOIKCWSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306034529 963178838 /nfs/dbraw/zinc/17/88/38/963178838.db2.gz LWKFKDFJVVNZNY-JOYOIKCWSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)CC[C@@H]1C(=O)[O-] ZINC000706647730 969017832 /nfs/dbraw/zinc/01/78/32/969017832.db2.gz RQSOUSAABYUOHS-ZJUUUORDSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)CC[C@@H]1C(=O)[O-] ZINC000706647730 969017839 /nfs/dbraw/zinc/01/78/39/969017839.db2.gz RQSOUSAABYUOHS-ZJUUUORDSA-N -1 1 328.206 2.697 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424196 976355320 /nfs/dbraw/zinc/35/53/20/976355320.db2.gz SLXVUZKGIKHJSF-BHYNMZESSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424196 976355333 /nfs/dbraw/zinc/35/53/33/976355333.db2.gz SLXVUZKGIKHJSF-BHYNMZESSA-N -1 1 340.217 2.840 20 10 EFCDMM C[C@@](CC(=O)[O-])([NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC001592327826 977743516 /nfs/dbraw/zinc/74/35/16/977743516.db2.gz FQYFFTUSXOFMNI-AWEZNQCLSA-N -1 1 328.206 2.888 20 10 EFCDMM O=C([O-])CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCOCC1 ZINC000843040077 979330236 /nfs/dbraw/zinc/33/02/36/979330236.db2.gz FDKWKGCDWNTVEK-UHFFFAOYSA-N -1 1 331.771 2.640 20 10 EFCDMM CC[C@H](C)[C@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001594882246 982247373 /nfs/dbraw/zinc/24/73/73/982247373.db2.gz KCBYHIFDWHDBIJ-NHYWBVRUSA-N -1 1 329.824 2.993 20 10 EFCDMM CC[C@H](C)[C@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001594882246 982247379 /nfs/dbraw/zinc/24/73/79/982247379.db2.gz KCBYHIFDWHDBIJ-NHYWBVRUSA-N -1 1 329.824 2.993 20 10 EFCDMM CC[C@@H](C)[C@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001594882244 982247669 /nfs/dbraw/zinc/24/76/69/982247669.db2.gz KCBYHIFDWHDBIJ-ABAIWWIYSA-N -1 1 329.824 2.993 20 10 EFCDMM CC[C@@H](C)[C@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001594882244 982247680 /nfs/dbraw/zinc/24/76/80/982247680.db2.gz KCBYHIFDWHDBIJ-ABAIWWIYSA-N -1 1 329.824 2.993 20 10 EFCDMM CC[C@@H](C)[C@@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001594882245 982247808 /nfs/dbraw/zinc/24/78/08/982247808.db2.gz KCBYHIFDWHDBIJ-IAQYHMDHSA-N -1 1 329.824 2.993 20 10 EFCDMM CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001594882245 982247815 /nfs/dbraw/zinc/24/78/15/982247815.db2.gz KCBYHIFDWHDBIJ-IAQYHMDHSA-N -1 1 329.824 2.993 20 10 EFCDMM CC(C)CC[C@@H](O)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001591222688 992093387 /nfs/dbraw/zinc/09/33/87/992093387.db2.gz UOYZAIFEOMLYMH-CQSZACIVSA-N -1 1 329.824 2.729 20 10 EFCDMM CC(C)CC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001591222688 992093397 /nfs/dbraw/zinc/09/33/97/992093397.db2.gz UOYZAIFEOMLYMH-CQSZACIVSA-N -1 1 329.824 2.729 20 10 EFCDMM CC(C)CC[C@@H](O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001591222688 992093404 /nfs/dbraw/zinc/09/34/04/992093404.db2.gz UOYZAIFEOMLYMH-CQSZACIVSA-N -1 1 329.824 2.729 20 10 EFCDMM COc1ccc(N(C)CCN(C)Cc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001599583888 993586251 /nfs/dbraw/zinc/58/62/51/993586251.db2.gz IBYMIUSLEVXYDO-UHFFFAOYSA-N -1 1 332.400 2.863 20 10 EFCDMM C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(C(=O)[O-])ccc1O ZINC001593291781 994670730 /nfs/dbraw/zinc/67/07/30/994670730.db2.gz CNPOONPWIFFYJY-MRVPVSSYSA-N -1 1 343.305 2.694 20 10 EFCDMM COc1ccc([C@H](NCc2ccc(N(C)C)c(F)c2)C(=O)[O-])cc1O ZINC001599531759 997667580 /nfs/dbraw/zinc/66/75/80/997667580.db2.gz MNPSGUTWZIRLEZ-KRWDZBQOSA-N -1 1 348.374 2.521 20 10 EFCDMM COc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)c(O)c1OC ZINC001599560826 998190085 /nfs/dbraw/zinc/19/00/85/998190085.db2.gz UXMVHVZJCOUBCI-UHFFFAOYSA-N -1 1 343.379 2.666 20 10 EFCDMM CO[C@H](CC(C)C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001599045283 999146720 /nfs/dbraw/zinc/14/67/20/999146720.db2.gz NUDFXJJKJCAHDE-CQSZACIVSA-N -1 1 329.824 2.993 20 10 EFCDMM CO[C@H](CC(C)C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001599045283 999146718 /nfs/dbraw/zinc/14/67/18/999146718.db2.gz NUDFXJJKJCAHDE-CQSZACIVSA-N -1 1 329.824 2.993 20 10 EFCDMM CO[C@H](CC(C)C)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001599045283 999146722 /nfs/dbraw/zinc/14/67/22/999146722.db2.gz NUDFXJJKJCAHDE-CQSZACIVSA-N -1 1 329.824 2.993 20 10 EFCDMM O=[N+]([O-])c1c(NCc2cc(Cl)ccc2O)cccc1-c1nnn[n-]1 ZINC001582802322 1091666880 /nfs/dbraw/zinc/66/68/80/1091666880.db2.gz PGTBHXBBXHOHCF-UHFFFAOYSA-N -1 1 346.734 2.746 20 10 EFCDMM O=[N+]([O-])c1c(NCc2cc(Cl)ccc2O)cccc1-c1nn[n-]n1 ZINC001582802322 1091666883 /nfs/dbraw/zinc/66/68/83/1091666883.db2.gz PGTBHXBBXHOHCF-UHFFFAOYSA-N -1 1 346.734 2.746 20 10 EFCDMM CC1CCN(c2ccc(CNc3ccnc(-c4nnn[n-]4)c3)cc2)CC1 ZINC001590274685 1093356060 /nfs/dbraw/zinc/35/60/60/1093356060.db2.gz OELJPWVBPWOAQN-UHFFFAOYSA-N -1 1 349.442 2.532 20 10 EFCDMM CC1CCN(c2ccc(CNc3ccnc(-c4nn[n-]n4)c3)cc2)CC1 ZINC001590274685 1093356070 /nfs/dbraw/zinc/35/60/70/1093356070.db2.gz OELJPWVBPWOAQN-UHFFFAOYSA-N -1 1 349.442 2.532 20 10 EFCDMM CN(C)c1ccc(CN(C)c2nc(-c3nn[n-]n3)c(Cl)s2)cc1 ZINC001591031134 1093654570 /nfs/dbraw/zinc/65/45/70/1093654570.db2.gz FQHLJPSWZGLYIG-UHFFFAOYSA-N -1 1 349.851 2.679 20 10 EFCDMM CN(C)c1ccc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)cc1 ZINC001591032451 1093654630 /nfs/dbraw/zinc/65/46/30/1093654630.db2.gz NLBOMRWRHVUCET-UHFFFAOYSA-N -1 1 335.824 2.655 20 10 EFCDMM CN(C)c1ccc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001591032451 1093654632 /nfs/dbraw/zinc/65/46/32/1093654632.db2.gz NLBOMRWRHVUCET-UHFFFAOYSA-N -1 1 335.824 2.655 20 10 EFCDMM COc1ccc(N(C)Cc2nc(-c3nnn[n-]3)cs2)cc1Cl ZINC001591608146 1093794592 /nfs/dbraw/zinc/79/45/92/1093794592.db2.gz NOBQXLBOBNMITM-UHFFFAOYSA-N -1 1 336.808 2.622 20 10 EFCDMM COc1ccc(N(C)Cc2nc(-c3nn[n-]n3)cs2)cc1Cl ZINC001591608146 1093794596 /nfs/dbraw/zinc/79/45/96/1093794596.db2.gz NOBQXLBOBNMITM-UHFFFAOYSA-N -1 1 336.808 2.622 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC001591606608 1093795183 /nfs/dbraw/zinc/79/51/83/1093795183.db2.gz QTEHRZZLUCOCDP-UHFFFAOYSA-N -1 1 331.401 2.582 20 10 EFCDMM Cc1cc(NCCCSc2nccs2)nc(-c2nnn[n-]2)c1 ZINC001592048835 1093967613 /nfs/dbraw/zinc/96/76/13/1093967613.db2.gz OETILEJEPFTJHM-UHFFFAOYSA-N -1 1 333.446 2.621 20 10 EFCDMM Cc1cc(NCCCSc2nccs2)nc(-c2nn[n-]n2)c1 ZINC001592048835 1093967616 /nfs/dbraw/zinc/96/76/16/1093967616.db2.gz OETILEJEPFTJHM-UHFFFAOYSA-N -1 1 333.446 2.621 20 10 EFCDMM Cc1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1-c1nnn[n-]1 ZINC001592176286 1094018053 /nfs/dbraw/zinc/01/80/53/1094018053.db2.gz YTPDSGJWRMOAPE-UHFFFAOYSA-N -1 1 349.442 2.805 20 10 EFCDMM Cc1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1-c1nn[n-]n1 ZINC001592176286 1094018059 /nfs/dbraw/zinc/01/80/59/1094018059.db2.gz YTPDSGJWRMOAPE-UHFFFAOYSA-N -1 1 349.442 2.805 20 10 EFCDMM Cc1cc(C(=O)CN2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC001600076852 1094755889 /nfs/dbraw/zinc/75/58/89/1094755889.db2.gz QLJDBBUCNRMBKE-HNNXBMFYSA-N -1 1 326.396 2.683 20 10 EFCDMM Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)oc1C(=O)[O-] ZINC001600203781 1094878542 /nfs/dbraw/zinc/87/85/42/1094878542.db2.gz VKZLOURUKSONES-CQSZACIVSA-N -1 1 344.411 2.974 20 10 EFCDMM Cc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])[nH]c1C(=O)[O-] ZINC001600209087 1094884625 /nfs/dbraw/zinc/88/46/25/1094884625.db2.gz XPIYYINQQGNQQA-UHFFFAOYSA-N -1 1 339.189 2.779 20 10 EFCDMM COc1cccc(SCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000783041843 1095394717 /nfs/dbraw/zinc/39/47/17/1095394717.db2.gz RLPFHTMKZXIYIG-UHFFFAOYSA-N -1 1 348.376 2.625 20 10 EFCDMM O=C([O-])CCCOc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001601997632 1096012680 /nfs/dbraw/zinc/01/26/80/1096012680.db2.gz XAURFWDQGFWXNR-UHFFFAOYSA-N -1 1 349.314 2.733 20 10 EFCDMM O=C([O-])CN(CCOCC1CCC1)Cc1cc(Cl)ccc1O ZINC001602056093 1096042786 /nfs/dbraw/zinc/04/27/86/1096042786.db2.gz FRHGDPQSMVXPQE-UHFFFAOYSA-N -1 1 327.808 2.749 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])CC1CCC(=O)CC1 ZINC001602057328 1096045153 /nfs/dbraw/zinc/04/51/53/1096045153.db2.gz VRYSUUAWZUTSFZ-UHFFFAOYSA-N -1 1 325.792 2.692 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])CC1CCC(=O)CC1 ZINC001602057328 1096045168 /nfs/dbraw/zinc/04/51/68/1096045168.db2.gz VRYSUUAWZUTSFZ-UHFFFAOYSA-N -1 1 325.792 2.692 20 10 EFCDMM O=C([O-])[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1c1ccc(O)cc1 ZINC001602188712 1096108937 /nfs/dbraw/zinc/10/89/37/1096108937.db2.gz LXHMZYMEWSABHH-UONOGXRCSA-N -1 1 349.333 2.676 20 10 EFCDMM O=C([O-])c1cnc([C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)s1 ZINC001602518045 1096278546 /nfs/dbraw/zinc/27/85/46/1096278546.db2.gz CDEMAKCARLPXQA-MRVPVSSYSA-N -1 1 340.351 2.815 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(O)c2)c1[O-] ZINC001603103323 1096442567 /nfs/dbraw/zinc/44/25/67/1096442567.db2.gz LUCXVAPRDUQJEB-OAHLLOKOSA-N -1 1 349.770 2.869 20 10 EFCDMM C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603685865 1096589816 /nfs/dbraw/zinc/58/98/16/1096589816.db2.gz KVRFKSWDWXMSGX-GHMZBOCLSA-N -1 1 339.403 2.913 20 10 EFCDMM C[C@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC001604323375 1096809801 /nfs/dbraw/zinc/80/98/01/1096809801.db2.gz ZLJDYMVPYGKANF-RYUDHWBXSA-N -1 1 344.415 2.820 20 10 EFCDMM CN(C)c1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001604704409 1096936393 /nfs/dbraw/zinc/93/63/93/1096936393.db2.gz MTLQHFOKVKGFIJ-UHFFFAOYSA-N -1 1 345.388 2.515 20 10 EFCDMM CN(C)c1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001604704409 1096936398 /nfs/dbraw/zinc/93/63/98/1096936398.db2.gz MTLQHFOKVKGFIJ-UHFFFAOYSA-N -1 1 345.388 2.515 20 10 EFCDMM COc1cc(C)cc(CN2CCOc3cc(C(=O)[O-])ccc3C2)c1O ZINC001607149541 1097544209 /nfs/dbraw/zinc/54/42/09/1097544209.db2.gz UJTBPUUDXOFISW-UHFFFAOYSA-N -1 1 343.379 2.802 20 10 EFCDMM Cc1[nH]c(C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c(C)c1C(=O)[O-] ZINC001607486526 1097639077 /nfs/dbraw/zinc/63/90/77/1097639077.db2.gz JBAYLELQPIIMAZ-GFCCVEGCSA-N -1 1 343.427 2.929 20 10 EFCDMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC001607924768 1097779466 /nfs/dbraw/zinc/77/94/66/1097779466.db2.gz FDYWQKLZVPMZQA-NSHDSACASA-N -1 1 348.424 2.919 20 10 EFCDMM Cc1ccc(NCc2c(O)ccc3c2CCCC3)nc1-c1nnn[n-]1 ZINC001609426424 1098311853 /nfs/dbraw/zinc/31/18/53/1098311853.db2.gz SCKVWDXSYLPOFC-UHFFFAOYSA-N -1 1 336.399 2.767 20 10 EFCDMM Cc1ccc(NCc2c(O)ccc3c2CCCC3)nc1-c1nn[n-]n1 ZINC001609426424 1098311862 /nfs/dbraw/zinc/31/18/62/1098311862.db2.gz SCKVWDXSYLPOFC-UHFFFAOYSA-N -1 1 336.399 2.767 20 10 EFCDMM C[C@H](NCc1ncnn1-c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001609777806 1098454250 /nfs/dbraw/zinc/45/42/50/1098454250.db2.gz DPRGYTDPFMMVHN-LBPRGKRZSA-N -1 1 338.367 2.522 20 10 EFCDMM CC1(C)CC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)O1 ZINC001609815055 1098466677 /nfs/dbraw/zinc/46/66/77/1098466677.db2.gz CKNCKDZVNYWWSK-CYBMUJFWSA-N -1 1 327.808 2.890 20 10 EFCDMM CC1(C)CC[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001609815055 1098466679 /nfs/dbraw/zinc/46/66/79/1098466679.db2.gz CKNCKDZVNYWWSK-CYBMUJFWSA-N -1 1 327.808 2.890 20 10 EFCDMM CC1(C)CC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001609815055 1098466680 /nfs/dbraw/zinc/46/66/80/1098466680.db2.gz CKNCKDZVNYWWSK-CYBMUJFWSA-N -1 1 327.808 2.890 20 10 EFCDMM COC1(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCC1 ZINC001610232847 1098583274 /nfs/dbraw/zinc/58/32/74/1098583274.db2.gz FHGQIOSCFVTNGS-UHFFFAOYSA-N -1 1 327.808 2.891 20 10 EFCDMM COC1(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCC1 ZINC001610232847 1098583283 /nfs/dbraw/zinc/58/32/83/1098583283.db2.gz FHGQIOSCFVTNGS-UHFFFAOYSA-N -1 1 327.808 2.891 20 10 EFCDMM COc1ccc([C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])cc1O ZINC001610326436 1098621654 /nfs/dbraw/zinc/62/16/54/1098621654.db2.gz YAYXEEHPVCKJMS-HNNXBMFYSA-N -1 1 337.759 2.675 20 10 EFCDMM COC(=O)c1ccc([O-])c([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)c1 ZINC000840826100 1101754507 /nfs/dbraw/zinc/75/45/07/1101754507.db2.gz HNYPROOPELWQHF-MRXNPFEDSA-N -1 1 346.427 2.578 20 10 EFCDMM CO[C@](C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1F ZINC000784972501 1102358402 /nfs/dbraw/zinc/35/84/02/1102358402.db2.gz GTKXHKYGIWJWMA-SFHVURJKSA-N -1 1 348.326 2.525 20 10 EFCDMM COC(=O)CC[N@@H+](Cc1ccco1)Cc1cc(F)c(F)cc1O ZINC001142520405 1106107230 /nfs/dbraw/zinc/10/72/30/1106107230.db2.gz IICRZAOBUQRRMN-UHFFFAOYSA-N -1 1 325.311 2.829 20 10 EFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(CC(F)(F)F)CC1 ZINC001237127075 1118624881 /nfs/dbraw/zinc/62/48/81/1118624881.db2.gz UDYVCWSUGALGMO-UHFFFAOYSA-N -1 1 326.721 2.865 20 10 EFCDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(N(C)C)cc2)[n-]c1=O ZINC000193265650 240092844 /nfs/dbraw/zinc/09/28/44/240092844.db2.gz DLGHLZVLFFVKGT-ZRDIBKRKSA-N -1 1 327.384 2.573 20 10 EFCDMM Cc1nn(C)c(NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000277565542 240784583 /nfs/dbraw/zinc/78/45/83/240784583.db2.gz ZDKHFHIRSDFUCV-UHFFFAOYSA-N -1 1 341.165 2.717 20 10 EFCDMM COc1ccccc1[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295923933 241066387 /nfs/dbraw/zinc/06/63/87/241066387.db2.gz SAIDZBRPYFBWNZ-NSHDSACASA-N -1 1 331.343 2.875 20 10 EFCDMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000296322423 241083591 /nfs/dbraw/zinc/08/35/91/241083591.db2.gz HDFBZKPRJUFSBD-UHFFFAOYSA-N -1 1 349.358 2.916 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](OC(=O)N(C)C)C2)c1[O-] ZINC000296739554 241097839 /nfs/dbraw/zinc/09/78/39/241097839.db2.gz OHXMBWMSCBUAHA-ZDUSSCGKSA-N -1 1 340.807 2.521 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@H](COc2ccccc2)C1 ZINC000296877371 241101857 /nfs/dbraw/zinc/10/18/57/241101857.db2.gz WQKLJJWDPSEGRM-LBPRGKRZSA-N -1 1 331.343 2.778 20 10 EFCDMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000297342263 241119233 /nfs/dbraw/zinc/11/92/33/241119233.db2.gz AYFXHQRJGGRGAR-QGHHPUGFSA-N -1 1 349.358 2.752 20 10 EFCDMM COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294702940 241050091 /nfs/dbraw/zinc/05/00/91/241050091.db2.gz DCCOADWGSLRPFV-CYBMUJFWSA-N -1 1 342.823 2.717 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000367571987 242385146 /nfs/dbraw/zinc/38/51/46/242385146.db2.gz CBIHRKCVIVIUAX-HOTGVXAUSA-N -1 1 339.819 2.628 20 10 EFCDMM COc1c([O-])c(CN2CCCC[C@H]2c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000278225489 286187061 /nfs/dbraw/zinc/18/70/61/286187061.db2.gz MBGOVCLAOWURJD-ZDUSSCGKSA-N -1 1 332.360 2.759 20 10 EFCDMM COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187760529 293338430 /nfs/dbraw/zinc/33/84/30/293338430.db2.gz OLPRANUSDFUBIP-SKDRFNHKSA-N -1 1 338.358 2.594 20 10 EFCDMM COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187760494 293338952 /nfs/dbraw/zinc/33/89/52/293338952.db2.gz OLPRANUSDFUBIP-BXKDBHETSA-N -1 1 338.358 2.594 20 10 EFCDMM COc1ccnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000121050907 472789479 /nfs/dbraw/zinc/78/94/79/472789479.db2.gz JCROLPDQGRLALR-GOSISDBHSA-N -1 1 328.412 2.977 20 10 EFCDMM COc1ccnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000121050703 472789815 /nfs/dbraw/zinc/78/98/15/472789815.db2.gz JCROLPDQGRLALR-SFHVURJKSA-N -1 1 328.412 2.977 20 10 EFCDMM O=C([N-][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000134266227 472889860 /nfs/dbraw/zinc/88/98/60/472889860.db2.gz OEOHVHXLVCALNI-LLVKDONJSA-N -1 1 336.741 2.689 20 10 EFCDMM O=C(NCc1cccc(OCC(F)F)c1)c1c(F)ccc(O)c1[O-] ZINC000170610285 473564860 /nfs/dbraw/zinc/56/48/60/473564860.db2.gz GUIFPCPEHGGTQQ-UHFFFAOYSA-N -1 1 341.285 2.811 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(C2CC2)no1 ZINC000282154455 473962228 /nfs/dbraw/zinc/96/22/28/473962228.db2.gz CZIQOFCPUPJWHK-UHFFFAOYSA-N -1 1 337.173 2.950 20 10 EFCDMM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2c(O)cccc2Cl)C1 ZINC000289209920 474184347 /nfs/dbraw/zinc/18/43/47/474184347.db2.gz BXNKQJYSIHJLLG-ZDUSSCGKSA-N -1 1 337.725 2.973 20 10 EFCDMM COc1ccccc1S(=O)(=O)CCC[N@H+](C)Cc1ccccc1O ZINC000184256786 474491268 /nfs/dbraw/zinc/49/12/68/474491268.db2.gz WZONQANWXAGAAB-UHFFFAOYSA-N -1 1 349.452 2.697 20 10 EFCDMM O=C(NCc1ccnc(N2CCCCC2)c1)c1c(F)ccc(O)c1[O-] ZINC000276547961 474566480 /nfs/dbraw/zinc/56/64/80/474566480.db2.gz HBRPNAGLVWZTKD-UHFFFAOYSA-N -1 1 345.374 2.552 20 10 EFCDMM CCc1c(C(=O)NCc2cccc(Br)c2[O-])ccn1C ZINC000290338298 474566833 /nfs/dbraw/zinc/56/68/33/474566833.db2.gz DGPDXRMMKZIEHL-UHFFFAOYSA-N -1 1 337.217 2.986 20 10 EFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCCN(CC(F)F)CC2)c1[O-] ZINC000290342369 474566921 /nfs/dbraw/zinc/56/69/21/474566921.db2.gz FMWYQADGDRTLHV-UHFFFAOYSA-N -1 1 349.765 2.727 20 10 EFCDMM CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184669815 474579552 /nfs/dbraw/zinc/57/95/52/474579552.db2.gz UQWBVFWXSWUODN-LLVKDONJSA-N -1 1 327.808 2.829 20 10 EFCDMM CSC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277407848 474584070 /nfs/dbraw/zinc/58/40/70/474584070.db2.gz KFHVPFNGHSMYEB-QMMMGPOBSA-N -1 1 333.251 2.705 20 10 EFCDMM CS[C@@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277388197 474584567 /nfs/dbraw/zinc/58/45/67/474584567.db2.gz IUSVNSKBJCACET-QMMMGPOBSA-N -1 1 333.251 2.705 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC1(Cl)Cl ZINC000277392049 474584989 /nfs/dbraw/zinc/58/49/89/474584989.db2.gz ARDACEXVVRREMV-ZETCQYMHSA-N -1 1 339.016 2.965 20 10 EFCDMM C[C@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277458001 474585783 /nfs/dbraw/zinc/58/57/83/474585783.db2.gz GRURTQLPHXTZFA-UWVGGRQHSA-N -1 1 328.206 2.586 20 10 EFCDMM CC1=C(C(=O)NCc2cccc(Br)c2[O-])CCCO1 ZINC000277451660 474586690 /nfs/dbraw/zinc/58/66/90/474586690.db2.gz GGAORFGISQSCSV-UHFFFAOYSA-N -1 1 326.190 2.855 20 10 EFCDMM O=C(C[C@@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277477971 474587183 /nfs/dbraw/zinc/58/71/83/474587183.db2.gz IMHGOPHUDJLFCH-NSHDSACASA-N -1 1 328.206 2.730 20 10 EFCDMM CC[C@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000277658126 474592573 /nfs/dbraw/zinc/59/25/73/474592573.db2.gz ZOZDIVGKUYAZOA-CMPLNLGQSA-N -1 1 328.206 2.729 20 10 EFCDMM O=C(CC[C@@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000277651636 474592622 /nfs/dbraw/zinc/59/26/22/474592622.db2.gz ZAFBFXAVDJBSAG-SNVBAGLBSA-N -1 1 328.206 2.588 20 10 EFCDMM C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000291487504 474604963 /nfs/dbraw/zinc/60/49/63/474604963.db2.gz GGJGBTUWSMBJIM-IAQYHMDHSA-N -1 1 345.270 2.994 20 10 EFCDMM COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560938 474619096 /nfs/dbraw/zinc/61/90/96/474619096.db2.gz NBCMQXAYGWMUBN-CZUORRHYSA-N -1 1 336.388 2.698 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1[O-] ZINC000267378717 474666165 /nfs/dbraw/zinc/66/61/65/474666165.db2.gz MECLQSQQIVNCFE-UQKYIBTBSA-N -1 1 329.849 2.590 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CC3CCCC3)no2)c1 ZINC000293279370 474905875 /nfs/dbraw/zinc/90/58/75/474905875.db2.gz HWTMWTPCLIJLDS-UHFFFAOYSA-N -1 1 337.401 2.546 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000280605039 475036543 /nfs/dbraw/zinc/03/65/43/475036543.db2.gz VMROYPUFVKEWLT-APPDUMDISA-N -1 1 339.819 2.628 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000280605053 475036583 /nfs/dbraw/zinc/03/65/83/475036583.db2.gz VMROYPUFVKEWLT-PIGZYNQJSA-N -1 1 339.819 2.628 20 10 EFCDMM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])COCc1ccccc1 ZINC000294744534 475080195 /nfs/dbraw/zinc/08/01/95/475080195.db2.gz CPYZRCPNYATQDT-LBPRGKRZSA-N -1 1 333.359 2.820 20 10 EFCDMM C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1c([O-])c(O)ccc1F ZINC000295360654 475122068 /nfs/dbraw/zinc/12/20/68/475122068.db2.gz OXBWTANFSSZFSQ-LLVKDONJSA-N -1 1 348.349 2.727 20 10 EFCDMM COCCC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCCC1 ZINC000295716545 475132476 /nfs/dbraw/zinc/13/24/76/475132476.db2.gz KPSAOGUQAJZZBG-UHFFFAOYSA-N -1 1 325.380 2.954 20 10 EFCDMM COc1c(O)c(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000373209901 476384394 /nfs/dbraw/zinc/38/43/94/476384394.db2.gz MXJDBLZRFHIHQM-AWEZNQCLSA-N -1 1 346.387 2.688 20 10 EFCDMM COc1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000757917582 575855773 /nfs/dbraw/zinc/85/57/73/575855773.db2.gz JXLDDRMMFLABJR-UHFFFAOYSA-N -1 1 337.763 2.989 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000758293846 575865816 /nfs/dbraw/zinc/86/58/16/575865816.db2.gz POKARIXCNOHGMO-UHFFFAOYSA-N -1 1 349.343 2.620 20 10 EFCDMM [O-]c1c(Br)cccc1CNc1cc(-n2ccnc2)ncn1 ZINC000764935468 576526245 /nfs/dbraw/zinc/52/62/45/576526245.db2.gz UUTHDTKEBXVOSM-UHFFFAOYSA-N -1 1 346.188 2.743 20 10 EFCDMM Cc1cnccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765330387 577032728 /nfs/dbraw/zinc/03/27/28/577032728.db2.gz VHRKDPWUCNMQEC-UHFFFAOYSA-N -1 1 336.189 2.602 20 10 EFCDMM COC1(C(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000765733667 577071474 /nfs/dbraw/zinc/07/14/74/577071474.db2.gz ZWZHLJDJEXSHCA-UHFFFAOYSA-N -1 1 328.206 2.730 20 10 EFCDMM O=C(CC1(O)CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765736529 577071528 /nfs/dbraw/zinc/07/15/28/577071528.db2.gz NILDSOMQOPFRLL-UHFFFAOYSA-N -1 1 342.233 2.856 20 10 EFCDMM O=C(CCc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000765747009 577071902 /nfs/dbraw/zinc/07/19/02/577071902.db2.gz JSAKCPDEZXAOBG-UHFFFAOYSA-N -1 1 335.201 2.799 20 10 EFCDMM O=C(CCc1cscn1)NCc1cccc(Br)c1[O-] ZINC000765751588 577072539 /nfs/dbraw/zinc/07/25/39/577072539.db2.gz HDVXWJPXQXFAFB-UHFFFAOYSA-N -1 1 341.230 2.860 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc[nH]c1=S ZINC000765771222 577074754 /nfs/dbraw/zinc/07/47/54/577074754.db2.gz VXWSEQXQSPRLNU-UHFFFAOYSA-N -1 1 339.214 2.768 20 10 EFCDMM [O-]c1c(Br)cccc1CNC(=S)NCC(F)(F)F ZINC000765975675 577094227 /nfs/dbraw/zinc/09/42/27/577094227.db2.gz IBIJOWUJVBFXFR-UHFFFAOYSA-N -1 1 343.168 2.681 20 10 EFCDMM CC(C)CCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201406 577120427 /nfs/dbraw/zinc/12/04/27/577120427.db2.gz SSZQAEPJUUTJJW-UHFFFAOYSA-N -1 1 336.251 2.620 20 10 EFCDMM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H]2CCCC[C@@H]12 ZINC000737751540 577253346 /nfs/dbraw/zinc/25/33/46/577253346.db2.gz MBOHJJHIQQSFJX-OSAQELSMSA-N -1 1 344.415 2.534 20 10 EFCDMM CC[NH+]1CCN(c2cccc(NC(=O)c3c(O)cccc3F)c2)CC1 ZINC000774083159 581482302 /nfs/dbraw/zinc/48/23/02/581482302.db2.gz ATKYVVFCERECPE-UHFFFAOYSA-N -1 1 343.402 2.926 20 10 EFCDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000740706217 1269030258 /nfs/dbraw/zinc/03/02/58/1269030258.db2.gz RVSSDHRYRWJHEZ-UHFFFAOYSA-N -1 1 335.381 2.678 20 10 EFCDMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000742443025 1270054851 /nfs/dbraw/zinc/05/48/51/1270054851.db2.gz UGWUDLCPEGORAA-MRXNPFEDSA-N -1 1 346.427 2.722 20 10 EFCDMM CCOC(=O)c1cccnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000742454791 1270076896 /nfs/dbraw/zinc/07/68/96/1270076896.db2.gz GNUNRSHBOBKJDC-UHFFFAOYSA-N -1 1 333.365 2.645 20 10 EFCDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000743259878 1270481007 /nfs/dbraw/zinc/48/10/07/1270481007.db2.gz NUOPVMRKLLAGCW-UHFFFAOYSA-N -1 1 335.381 2.678 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1[O-] ZINC000792393489 1278757838 /nfs/dbraw/zinc/75/78/38/1278757838.db2.gz HTMNFAMWTRSQFL-XMPXNBJQSA-N -1 1 329.849 2.590 20 10 EFCDMM O=C(c1ccccc1F)N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837869 1274101077 /nfs/dbraw/zinc/10/10/77/1274101077.db2.gz XSWSTJXVKAVOGV-UHFFFAOYSA-N -1 1 332.350 2.628 20 10 EFCDMM CC[C@@H](Oc1ccccc1F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786531998 1275421058 /nfs/dbraw/zinc/42/10/58/1275421058.db2.gz YLIOLTOCAXJLSI-MRXNPFEDSA-N -1 1 348.326 2.820 20 10 EFCDMM CC(C)(C)C(=O)Nc1cccc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170313676 1279008009 /nfs/dbraw/zinc/00/80/09/1279008009.db2.gz BNSVEEGHXPMACX-UHFFFAOYSA-N -1 1 343.383 2.772 20 10 EFCDMM Cn1cc(-c2ccc(NCc3c([O-])ccc(Cl)c3F)nn2)cn1 ZINC000788403469 1276169469 /nfs/dbraw/zinc/16/94/69/1276169469.db2.gz ABPIDDWZCWYARU-UHFFFAOYSA-N -1 1 333.754 2.987 20 10 EFCDMM O=C(CNc1cnc(Oc2ccccc2)nc1)c1ccc([O-])c(O)c1 ZINC001170314932 1279009109 /nfs/dbraw/zinc/00/91/09/1279009109.db2.gz LONXBXVDHMACGU-UHFFFAOYSA-N -1 1 337.335 2.975 20 10 EFCDMM CC(C)C(=O)Nc1cccc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170314532 1279010244 /nfs/dbraw/zinc/01/02/44/1279010244.db2.gz CKTHKKNDYHRUPX-UHFFFAOYSA-N -1 1 328.368 2.987 20 10 EFCDMM O=C(CNc1ccc(OCC2CCC2)nc1)c1ccc([O-])c(O)c1 ZINC001170323367 1279014711 /nfs/dbraw/zinc/01/47/11/1279014711.db2.gz YQGZOTDSPWRWMN-UHFFFAOYSA-N -1 1 328.368 2.967 20 10 EFCDMM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000817880594 1276358671 /nfs/dbraw/zinc/35/86/71/1276358671.db2.gz AFOKXYPHPXVVGF-MWLCHTKSSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000817881177 1276359397 /nfs/dbraw/zinc/35/93/97/1276359397.db2.gz PSVOADUHYQPMMV-BDAKNGLRSA-N -1 1 328.752 2.639 20 10 EFCDMM C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000817882102 1276360577 /nfs/dbraw/zinc/36/05/77/1276360577.db2.gz YKGYMWFLFUWCIR-KOLCDFICSA-N -1 1 328.206 2.697 20 10 EFCDMM Cn1nc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C1CC1 ZINC000922957453 1276404379 /nfs/dbraw/zinc/40/43/79/1276404379.db2.gz XYHPEJQTQFLLJW-UHFFFAOYSA-N -1 1 336.779 2.855 20 10 EFCDMM C[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1ncnn1C ZINC000788980980 1276450650 /nfs/dbraw/zinc/45/06/50/1276450650.db2.gz CIGADSZLOASKCJ-JGVFFNPUSA-N -1 1 343.200 2.834 20 10 EFCDMM C[C@@H](N[C@H](C)c1cc(Br)cc(F)c1[O-])c1ncnn1C ZINC000788980979 1276450656 /nfs/dbraw/zinc/45/06/56/1276450656.db2.gz CIGADSZLOASKCJ-HTQZYQBOSA-N -1 1 343.200 2.834 20 10 EFCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000819586825 1276831522 /nfs/dbraw/zinc/83/15/22/1276831522.db2.gz UNJYUBRBWWLGOE-ZDUSSCGKSA-N -1 1 344.386 2.796 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2cccnc21 ZINC000819943556 1276963666 /nfs/dbraw/zinc/96/36/66/1276963666.db2.gz IGFNOTPCOORWDU-GFCCVEGCSA-N -1 1 347.212 2.896 20 10 EFCDMM CC(=O)Nc1cccc([C@H](C)NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC000789955601 1277115204 /nfs/dbraw/zinc/11/52/04/1277115204.db2.gz XGABXEZSMALQBF-VIFPVBQESA-N -1 1 332.331 2.686 20 10 EFCDMM O=C(NCCOc1cccc(Cl)c1)c1c(F)ccc(O)c1[O-] ZINC000789957302 1277121138 /nfs/dbraw/zinc/12/11/38/1277121138.db2.gz ONJNRVVLLNQRMV-UHFFFAOYSA-N -1 1 325.723 2.699 20 10 EFCDMM CN(CCCOc1ccc(F)cc1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789964241 1277127980 /nfs/dbraw/zinc/12/79/80/1277127980.db2.gz NTGYPACLSKYWKB-UHFFFAOYSA-N -1 1 337.322 2.917 20 10 EFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000789975040 1277138975 /nfs/dbraw/zinc/13/89/75/1277138975.db2.gz NSWJHKVXTXMAAL-VIFPVBQESA-N -1 1 344.342 2.613 20 10 EFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000789975039 1277139274 /nfs/dbraw/zinc/13/92/74/1277139274.db2.gz NSWJHKVXTXMAAL-SECBINFHSA-N -1 1 344.342 2.613 20 10 EFCDMM CC[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])Oc1ccccc1F ZINC000789991441 1277152802 /nfs/dbraw/zinc/15/28/02/1277152802.db2.gz DPRJSBGWNWEPEK-SNVBAGLBSA-N -1 1 337.322 2.963 20 10 EFCDMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000790070012 1277207519 /nfs/dbraw/zinc/20/75/19/1277207519.db2.gz XTGMLMWEQDHZMN-QMMMGPOBSA-N -1 1 341.285 2.712 20 10 EFCDMM C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000790074611 1277210511 /nfs/dbraw/zinc/21/05/11/1277210511.db2.gz DWHRBNALQRQAPO-OTYXRUKQSA-N -1 1 337.322 2.618 20 10 EFCDMM C[C@@](O)(CNC(=O)c1c([O-])c(O)ccc1F)c1ccccc1Cl ZINC000790077187 1277212239 /nfs/dbraw/zinc/21/22/39/1277212239.db2.gz VIIPMUPYWJGXIE-MRXNPFEDSA-N -1 1 339.750 2.528 20 10 EFCDMM O=C(COC(=O)[C@H]1CCc2ccccc2C1)c1ccc([O-])c(O)c1 ZINC000845212199 1279495431 /nfs/dbraw/zinc/49/54/31/1279495431.db2.gz DBMMRUDRGPIUNC-HNNXBMFYSA-N -1 1 326.348 2.629 20 10 EFCDMM Cc1cc(CN2CCOC[C@@H]2CC(=O)[O-])ccc1N1CCCCC1 ZINC000846272278 1280093741 /nfs/dbraw/zinc/09/37/41/1280093741.db2.gz MSUPNPSGUUFHID-KRWDZBQOSA-N -1 1 332.444 2.661 20 10 EFCDMM Cc1cccc2nc(NC(=O)c3cc(=O)n(-c4ccccc4)[n-]3)[nH]c21 ZINC001147878726 1281339127 /nfs/dbraw/zinc/33/91/27/1281339127.db2.gz QCYWZQBYECDTEY-UHFFFAOYSA-N -1 1 333.351 2.603 20 10 EFCDMM Cc1nc(N)ncc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001175671897 1287516908 /nfs/dbraw/zinc/51/69/08/1287516908.db2.gz XWYAZXVADQSZMG-UHFFFAOYSA-N -1 1 346.346 2.592 20 10 EFCDMM CNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809779569 1282478900 /nfs/dbraw/zinc/47/89/00/1282478900.db2.gz SDJWVANWWINCAE-GFCCVEGCSA-N -1 1 330.787 2.895 20 10 EFCDMM CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809779570 1282478952 /nfs/dbraw/zinc/47/89/52/1282478952.db2.gz SDJWVANWWINCAE-LBPRGKRZSA-N -1 1 330.787 2.895 20 10 EFCDMM COC[C@H](C)[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000812557770 1285244441 /nfs/dbraw/zinc/24/44/41/1285244441.db2.gz KRBXFKNWGFEQMG-UWVGGRQHSA-N -1 1 330.222 2.690 20 10 EFCDMM CO[C@@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000816495645 1288163595 /nfs/dbraw/zinc/16/35/95/1288163595.db2.gz DPHWXNVVPYHUBB-CMPLNLGQSA-N -1 1 342.233 2.976 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC12CCC2 ZINC000873266473 1289690610 /nfs/dbraw/zinc/69/06/10/1289690610.db2.gz NQQNJCBIGOHROU-LLVKDONJSA-N -1 1 325.206 2.897 20 10 EFCDMM C[C@H](Oc1cccc(Cl)c1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181782512 1289939947 /nfs/dbraw/zinc/93/99/47/1289939947.db2.gz UDQZRIOESUQTCQ-JTQLQIEISA-N -1 1 349.770 2.518 20 10 EFCDMM O=C(CSc1ncn(-c2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC000021756241 1290951693 /nfs/dbraw/zinc/95/16/93/1290951693.db2.gz QJNVKQRONIPYLE-UHFFFAOYSA-N -1 1 327.365 2.654 20 10 EFCDMM Cc1nc2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)ccc2o1 ZINC000795679037 1291155043 /nfs/dbraw/zinc/15/50/43/1291155043.db2.gz PXYOZABRPBDCQQ-UHFFFAOYSA-N -1 1 327.292 2.587 20 10 EFCDMM C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C[C@@]1(C)O ZINC001233028275 1312836038 /nfs/dbraw/zinc/83/60/38/1312836038.db2.gz LWZTUHFMSOOHIS-YMTOWFKASA-N -1 1 332.213 2.887 20 10 EFCDMM [O-]c1cc(Br)cc(F)c1CN1CCC2(CC1)OCCO2 ZINC001233028290 1312836490 /nfs/dbraw/zinc/83/64/90/1312836490.db2.gz MPYMJJPUHPTUJX-UHFFFAOYSA-N -1 1 346.196 2.633 20 10 EFCDMM COC(=O)[C@]1(C)CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233033621 1312837088 /nfs/dbraw/zinc/83/70/88/1312837088.db2.gz QNFDXXMNLBIAAB-CQSZACIVSA-N -1 1 346.196 2.679 20 10 EFCDMM Cc1nc2c(cccc2C(=O)OCC(=O)c2ccc([O-])c(O)c2)o1 ZINC000795689897 1291215437 /nfs/dbraw/zinc/21/54/37/1291215437.db2.gz PSQCMULRHCHOFD-UHFFFAOYSA-N -1 1 327.292 2.587 20 10 EFCDMM CCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093912046 1291241534 /nfs/dbraw/zinc/24/15/34/1291241534.db2.gz WOYNQLZDRGSKQZ-UHFFFAOYSA-N -1 1 334.397 2.578 20 10 EFCDMM CSc1cccc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001188061572 1291302294 /nfs/dbraw/zinc/30/22/94/1291302294.db2.gz ZQYVIHZCGNAAKW-UHFFFAOYSA-N -1 1 332.381 2.824 20 10 EFCDMM [O-]c1c(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)ccc(F)c1F ZINC001233074899 1312849139 /nfs/dbraw/zinc/84/91/39/1312849139.db2.gz ZQNRYOWUTUUAOO-ZWNOBZJWSA-N -1 1 343.267 2.898 20 10 EFCDMM [O-]c1c(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)ccc(F)c1F ZINC001233074890 1312849445 /nfs/dbraw/zinc/84/94/45/1312849445.db2.gz ZQNRYOWUTUUAOO-GWCFXTLKSA-N -1 1 343.267 2.898 20 10 EFCDMM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC001233078879 1312850468 /nfs/dbraw/zinc/85/04/68/1312850468.db2.gz MRLBMYAZPJXYJP-AAEUAGOBSA-N -1 1 340.370 2.722 20 10 EFCDMM Cc1ccnc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC001233079938 1312851095 /nfs/dbraw/zinc/85/10/95/1312851095.db2.gz NYWZWYPUXIVATL-UHFFFAOYSA-N -1 1 335.354 2.812 20 10 EFCDMM O=C(c1cnc(-c2ccccc2)[n-]c1=O)N1CCc2cccc(O)c2C1 ZINC001190261507 1292087807 /nfs/dbraw/zinc/08/78/07/1292087807.db2.gz FKSWPGFDLMRJHZ-UHFFFAOYSA-N -1 1 347.374 2.753 20 10 EFCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2ncn(C)c21 ZINC001233333178 1312904917 /nfs/dbraw/zinc/90/49/17/1312904917.db2.gz MIQRHUNQXUTLFE-NSHDSACASA-N -1 1 337.370 2.540 20 10 EFCDMM CCn1ncc2c1[C@@H](COC)CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333149 1312904921 /nfs/dbraw/zinc/90/49/21/1312904921.db2.gz LOFRDDIIVTZDFV-GFCCVEGCSA-N -1 1 337.370 2.633 20 10 EFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cc(F)cc(F)c1F ZINC001190391760 1292144756 /nfs/dbraw/zinc/14/47/56/1292144756.db2.gz VMJIRBWRJKFDOQ-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cc(F)cc(F)c1F ZINC001190392372 1292146182 /nfs/dbraw/zinc/14/61/82/1292146182.db2.gz RPAIZMUSGVCIRA-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM CCOC[C@H]1Cn2nccc2CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233333849 1312906253 /nfs/dbraw/zinc/90/62/53/1312906253.db2.gz JWRNWOXFMZFGSB-GFCCVEGCSA-N -1 1 337.370 2.535 20 10 EFCDMM CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]21 ZINC001233419096 1312928720 /nfs/dbraw/zinc/92/87/20/1312928720.db2.gz JEFGQAXLJLPWBJ-PJXYFTJBSA-N -1 1 329.318 2.652 20 10 EFCDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(O)cc3C)c2)o1 ZINC001192265529 1292850606 /nfs/dbraw/zinc/85/06/06/1292850606.db2.gz OJQDRRJLFXYIQB-UHFFFAOYSA-N -1 1 345.380 2.860 20 10 EFCDMM CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC001203580705 1312962746 /nfs/dbraw/zinc/96/27/46/1312962746.db2.gz WNZWRZAOACMOLZ-IMRBUKKESA-N -1 1 343.254 2.901 20 10 EFCDMM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(O)c2ccccc12 ZINC001193058714 1293165049 /nfs/dbraw/zinc/16/50/49/1293165049.db2.gz WUCGJAKNJMXLLD-UHFFFAOYSA-N -1 1 337.397 2.629 20 10 EFCDMM O=C(Nc1cnc2ccc(Cl)nn21)c1ccc(O)c([O-])c1Cl ZINC001193209925 1293198620 /nfs/dbraw/zinc/19/86/20/1293198620.db2.gz RBYWMEQDBYEIIR-UHFFFAOYSA-N -1 1 339.138 2.700 20 10 EFCDMM O=C(Nc1nnccc1C(F)(F)F)c1ccc(O)c([O-])c1Cl ZINC001193219630 1293199837 /nfs/dbraw/zinc/19/98/37/1293199837.db2.gz LMJNWCODWBRTPB-UHFFFAOYSA-N -1 1 333.653 2.812 20 10 EFCDMM O=C(Nc1cccn(CC2CC2)c1=O)c1ccc(O)c([O-])c1Cl ZINC001193236852 1293208560 /nfs/dbraw/zinc/20/85/60/1293208560.db2.gz RSTBRNBDJXEIIM-UHFFFAOYSA-N -1 1 334.759 2.575 20 10 EFCDMM O=C(CNC(=O)c1ccc(O)c([O-])c1Cl)c1c[nH]c2ccccc21 ZINC001193236472 1293208758 /nfs/dbraw/zinc/20/87/58/1293208758.db2.gz DRSRWTSYLSQYHG-UHFFFAOYSA-N -1 1 344.754 2.845 20 10 EFCDMM CCOC(=O)C1=C(NC(=O)c2ccc(O)c([O-])c2Cl)CCCC1 ZINC001193236973 1293208898 /nfs/dbraw/zinc/20/88/98/1293208898.db2.gz VCADFMVJNQZBFB-UHFFFAOYSA-N -1 1 339.775 2.872 20 10 EFCDMM O=C(NCc1cccc(-n2cccn2)c1)c1ccc(O)c([O-])c1Cl ZINC001193236670 1293209467 /nfs/dbraw/zinc/20/94/67/1293209467.db2.gz MDSUCCKUQCVJQO-UHFFFAOYSA-N -1 1 343.770 2.867 20 10 EFCDMM CC(C)(C)OC(=O)C(C)(C)CNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247234 1293212909 /nfs/dbraw/zinc/21/29/09/1293212909.db2.gz QCJABIBXCXHKRF-UHFFFAOYSA-N -1 1 343.807 2.849 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC(OCc2ccccc2)C1 ZINC001193225193 1293222306 /nfs/dbraw/zinc/22/23/06/1293222306.db2.gz JEUFEACAKSFVNX-UHFFFAOYSA-N -1 1 333.771 2.792 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC001193225020 1293222851 /nfs/dbraw/zinc/22/28/51/1293222851.db2.gz FWKKKIYMTSYHPM-CQSZACIVSA-N -1 1 333.771 2.965 20 10 EFCDMM CN1CCc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc2C1=O ZINC001193228967 1293225896 /nfs/dbraw/zinc/22/58/96/1293225896.db2.gz BTKWCJQZBFBBLQ-UHFFFAOYSA-N -1 1 346.770 2.632 20 10 EFCDMM Cc1cc(F)cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1Cl ZINC001193321125 1293253382 /nfs/dbraw/zinc/25/33/82/1293253382.db2.gz GIYKXCOYGRVLIV-UHFFFAOYSA-N -1 1 337.734 2.811 20 10 EFCDMM Cc1cccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1Cl ZINC000775675526 1294089082 /nfs/dbraw/zinc/08/90/82/1294089082.db2.gz FJWVBMQKRMQMRZ-UHFFFAOYSA-N -1 1 341.772 2.853 20 10 EFCDMM COc1cccc(CS(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001197386249 1294524060 /nfs/dbraw/zinc/52/40/60/1294524060.db2.gz WHVVOHQZWRYXFO-UHFFFAOYSA-N -1 1 329.324 2.621 20 10 EFCDMM O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276354072 1294570749 /nfs/dbraw/zinc/57/07/49/1294570749.db2.gz GHJQMGCGXHHZEZ-OKILXGFUSA-N -1 1 346.427 2.621 20 10 EFCDMM Cc1ncsc1CN1CCC12CN(Cc1c([O-])cccc1F)C2 ZINC001276354114 1294571751 /nfs/dbraw/zinc/57/17/51/1294571751.db2.gz IAHVVMHOSMSQCY-UHFFFAOYSA-N -1 1 333.432 2.757 20 10 EFCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Br)c2)cn1 ZINC001198313987 1294985282 /nfs/dbraw/zinc/98/52/82/1294985282.db2.gz KCODVNVLFPHYHJ-UHFFFAOYSA-N -1 1 343.202 2.659 20 10 EFCDMM [O-]c1c(Br)cc(F)cc1CN1CC2(C1)CCOCC2 ZINC001235301201 1313285668 /nfs/dbraw/zinc/28/56/68/1313285668.db2.gz DQMHYUWZTUIBHM-UHFFFAOYSA-N -1 1 330.197 2.906 20 10 EFCDMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H](C)c1ccccc1O ZINC001201767115 1297063712 /nfs/dbraw/zinc/06/37/12/1297063712.db2.gz NFQZUMYKWVQZJG-ZETCQYMHSA-N -1 1 332.834 2.850 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001236789292 1313529191 /nfs/dbraw/zinc/52/91/91/1313529191.db2.gz DKQXVQSNRXWWFT-JBCWJZNQSA-N -1 1 332.227 2.671 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001236789288 1313529516 /nfs/dbraw/zinc/52/95/16/1313529516.db2.gz DKQXVQSNRXWWFT-DYQSUWPFSA-N -1 1 332.227 2.671 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(c2cncnc2)CC1 ZINC001236798021 1313531063 /nfs/dbraw/zinc/53/10/63/1313531063.db2.gz FKJMUSVVMNMOJW-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM COc1ccc(CN2CCC(O)(C(F)(F)F)CC2)c([O-])c1Cl ZINC001236801086 1313531410 /nfs/dbraw/zinc/53/14/10/1313531410.db2.gz FTPIAABGAPVUDC-UHFFFAOYSA-N -1 1 339.741 2.943 20 10 EFCDMM CN(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236802904 1313532555 /nfs/dbraw/zinc/53/25/55/1313532555.db2.gz KPYKFPMZKYQICN-LLVKDONJSA-N -1 1 346.258 2.935 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001237078871 1313582993 /nfs/dbraw/zinc/58/29/93/1313582993.db2.gz ZAEIETXKBSNEKF-WFBYXXMGSA-N -1 1 332.227 2.671 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(c2ncccn2)CC1 ZINC001237077436 1313583368 /nfs/dbraw/zinc/58/33/68/1313583368.db2.gz HVNIWVKNFCYZRD-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM COC(=O)CC[C@H]1COCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237087032 1313583825 /nfs/dbraw/zinc/58/38/25/1313583825.db2.gz SLIRNZRNWPGMQU-JTQLQIEISA-N -1 1 348.226 2.853 20 10 EFCDMM COCc1noc2c1CN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237121998 1313590715 /nfs/dbraw/zinc/59/07/15/1313590715.db2.gz QEEDQXCXCYVIJQ-UHFFFAOYSA-N -1 1 326.755 2.877 20 10 EFCDMM CC(C)NC(=O)N[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237624116 1313679165 /nfs/dbraw/zinc/67/91/65/1313679165.db2.gz YTDWHALRCCNRCM-ZDUSSCGKSA-N -1 1 343.830 2.857 20 10 EFCDMM CN(Cc1cccc(I)c1[O-])CC(F)(F)F ZINC001237785739 1313705380 /nfs/dbraw/zinc/70/53/80/1313705380.db2.gz MIRSUFFVUZDGJH-UHFFFAOYSA-N -1 1 345.102 2.991 20 10 EFCDMM CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001237798827 1313708384 /nfs/dbraw/zinc/70/83/84/1313708384.db2.gz CVDUBFUCBGOZNH-INIZCTEOSA-N -1 1 326.799 2.772 20 10 EFCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC001237807776 1313710493 /nfs/dbraw/zinc/71/04/93/1313710493.db2.gz LXSVJTLRBSPISD-GFCCVEGCSA-N -1 1 327.705 2.931 20 10 EFCDMM CCOC(=O)[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CCC1=O ZINC001237937147 1313733455 /nfs/dbraw/zinc/73/34/55/1313733455.db2.gz OCTWPLLAKNHMMI-LLVKDONJSA-N -1 1 343.782 2.529 20 10 EFCDMM CCOC(=O)[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CCC1=O ZINC001237937149 1313733969 /nfs/dbraw/zinc/73/39/69/1313733969.db2.gz OCTWPLLAKNHMMI-NSHDSACASA-N -1 1 343.782 2.529 20 10 EFCDMM CCOC(=O)[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCS1 ZINC001237939366 1313734075 /nfs/dbraw/zinc/73/40/75/1313734075.db2.gz BIIFYUZAYNADMD-CYBMUJFWSA-N -1 1 333.812 2.665 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC[C@H]1C(=O)[O-] ZINC000863740573 1302703467 /nfs/dbraw/zinc/70/34/67/1302703467.db2.gz XXRCPJWLAWHLDR-MWLCHTKSSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC[C@@H]1C(=O)[O-] ZINC000863740572 1302703501 /nfs/dbraw/zinc/70/35/01/1302703501.db2.gz XXRCPJWLAWHLDR-KOLCDFICSA-N -1 1 328.206 2.697 20 10 EFCDMM CCn1ncnc1CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000794840639 1303282612 /nfs/dbraw/zinc/28/26/12/1303282612.db2.gz JTHWTHVNWSFEJL-QMMMGPOBSA-N -1 1 343.200 2.756 20 10 EFCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000900187947 1307756165 /nfs/dbraw/zinc/75/61/65/1307756165.db2.gz MWSQMIZBIJIEND-UHFFFAOYSA-N -1 1 338.411 2.590 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000901703155 1310907415 /nfs/dbraw/zinc/90/74/15/1310907415.db2.gz CRVFJKVIOGOERQ-INIZCTEOSA-N -1 1 343.445 2.738 20 10 EFCDMM CN(C)c1cccc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000801876202 1311043967 /nfs/dbraw/zinc/04/39/67/1311043967.db2.gz FIUNXTGGRCKMOW-UHFFFAOYSA-N -1 1 343.379 2.523 20 10 EFCDMM CO[C@H](CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000901962401 1311246715 /nfs/dbraw/zinc/24/67/15/1311246715.db2.gz HBEFIMANVUHNNF-GFCCVEGCSA-N -1 1 325.789 2.597 20 10 EFCDMM CCn1cc(S(=O)(=O)[N-]c2cc(F)c(O)cc2Cl)nc1C ZINC000901962196 1311246912 /nfs/dbraw/zinc/24/69/12/1311246912.db2.gz BZWCWQBHJURDRM-UHFFFAOYSA-N -1 1 333.772 2.510 20 10 EFCDMM O=C(CNC(F)(F)c1ccnc(Cl)c1)c1ccc([O-])c(O)c1 ZINC001159271415 1311484235 /nfs/dbraw/zinc/48/42/35/1311484235.db2.gz ANLCMRPFUSUSAI-UHFFFAOYSA-N -1 1 328.702 2.668 20 10 EFCDMM O=C(CNc1ncnc2[nH]c3ccccc3c21)c1ccc([O-])c(O)c1 ZINC001159279256 1311484416 /nfs/dbraw/zinc/48/44/16/1311484416.db2.gz OCJNKUZJVYHYAX-UHFFFAOYSA-N -1 1 334.335 2.817 20 10 EFCDMM O=C(CNc1cc2nccc(Cl)c2cn1)c1ccc([O-])c(O)c1 ZINC001159277758 1311484476 /nfs/dbraw/zinc/48/44/76/1311484476.db2.gz YQKQKKAOONPNFR-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNC(F)(F)Oc1cccc(Cl)n1)c1ccc([O-])c(O)c1 ZINC001159276043 1311484582 /nfs/dbraw/zinc/48/45/82/1311484582.db2.gz CZWRWAJRZLXZEJ-UHFFFAOYSA-N -1 1 344.701 2.548 20 10 EFCDMM COc1ccc2nc(NCC(=O)c3ccc([O-])c(O)c3)nc(C)c2c1 ZINC001159278752 1311484672 /nfs/dbraw/zinc/48/46/72/1311484672.db2.gz AMQADDGIRCZLAI-UHFFFAOYSA-N -1 1 339.351 2.653 20 10 EFCDMM CCO[C@H](C)COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227576966 1311824186 /nfs/dbraw/zinc/82/41/86/1311824186.db2.gz GPTOVGMNMJPAMY-LLVKDONJSA-N -1 1 326.348 2.971 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1CCOC[C@@H]1F ZINC001227576688 1311824311 /nfs/dbraw/zinc/82/43/11/1311824311.db2.gz DEIVHMYERAGECP-ZFWWWQNUSA-N -1 1 342.322 2.673 20 10 EFCDMM CCO[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000902528011 1311838818 /nfs/dbraw/zinc/83/88/18/1311838818.db2.gz NTXIAKUZXAENIN-HNNXBMFYSA-N -1 1 341.407 2.940 20 10 EFCDMM CCO[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000902528011 1311838821 /nfs/dbraw/zinc/83/88/21/1311838821.db2.gz NTXIAKUZXAENIN-HNNXBMFYSA-N -1 1 341.407 2.940 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1CCCCC1=O ZINC001228111444 1311900851 /nfs/dbraw/zinc/90/08/51/1311900851.db2.gz UQQBDYAUAFLECY-MRXNPFEDSA-N -1 1 342.347 2.925 20 10 EFCDMM CO[C@H](C)CCOc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228115746 1311902282 /nfs/dbraw/zinc/90/22/82/1311902282.db2.gz QJKQLRFSZXVGBJ-LLVKDONJSA-N -1 1 332.352 2.838 20 10 EFCDMM COCCN1CCN(Cc2cccc(Cl)c2[O-])Cc2cccnc21 ZINC001231911150 1312587214 /nfs/dbraw/zinc/58/72/14/1312587214.db2.gz CZUFBWZGEUDJRG-UHFFFAOYSA-N -1 1 347.846 2.909 20 10 EFCDMM [O-]c1cc(O)c(CN(Cc2cocn2)Cc2cocn2)cc1Cl ZINC001232262627 1312660683 /nfs/dbraw/zinc/66/06/83/1312660683.db2.gz MGDGYYSOMOMUKZ-UHFFFAOYSA-N -1 1 335.747 2.930 20 10 EFCDMM COc1cc(O)c(C[N@@H+]2CC[C@@H]2C)cc1I ZINC001248462008 1314937230 /nfs/dbraw/zinc/93/72/30/1314937230.db2.gz JZVMGCWKKFNPKJ-QMMMGPOBSA-N -1 1 333.169 2.600 20 10 EFCDMM C[C@@H](NC(=S)NCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1 ZINC001249627208 1315111298 /nfs/dbraw/zinc/11/12/98/1315111298.db2.gz MABUXQVFKULYOR-SNVBAGLBSA-N -1 1 348.399 2.645 20 10 EFCDMM COC(=O)[N-]C(=S)N(c1ccc(N)c(OC)c1)c1ccccc1N ZINC001249729730 1315127691 /nfs/dbraw/zinc/12/76/91/1315127691.db2.gz YOCJSWUNVZUQOA-UHFFFAOYSA-N -1 1 346.412 2.639 20 10 EFCDMM CCS(=O)(=O)[N-]c1c(C)ccc2c1C(=O)c1ccccc1C2=O ZINC001253348800 1315594047 /nfs/dbraw/zinc/59/40/47/1315594047.db2.gz NVFQVZRXDDTGAN-UHFFFAOYSA-N -1 1 329.377 2.532 20 10 EFCDMM O=S(=O)(CCc1ccc(F)cc1)Nc1cc(F)c([O-])cc1F ZINC001259761081 1316274216 /nfs/dbraw/zinc/27/42/16/1316274216.db2.gz JPDGQVWAHTWDIQ-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc2c(c1)CCC2 ZINC001259861639 1316288445 /nfs/dbraw/zinc/28/84/45/1316288445.db2.gz XEWNARJGYNFQLI-UHFFFAOYSA-N -1 1 325.336 2.960 20 10 EFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1 ZINC001260239368 1316325521 /nfs/dbraw/zinc/32/55/21/1316325521.db2.gz PUTKOADMLLIJOW-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM O=S(=O)(Nc1cc(Cl)ccc1[S-])c1cccc2nonc21 ZINC001260440820 1316338494 /nfs/dbraw/zinc/33/84/94/1316338494.db2.gz OZXUYIZTULGZFG-UHFFFAOYSA-N -1 1 341.801 2.966 20 10 EFCDMM COc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260441768 1316338755 /nfs/dbraw/zinc/33/87/55/1316338755.db2.gz XTMGAHSYLUYVBW-UHFFFAOYSA-N -1 1 339.760 2.686 20 10 EFCDMM O=S(=O)([N-]c1ccc(F)c(F)c1Cl)c1cccc2nonc21 ZINC001260441543 1316338920 /nfs/dbraw/zinc/33/89/20/1316338920.db2.gz OCGVZVXORCANCT-UHFFFAOYSA-N -1 1 345.714 2.955 20 10 EFCDMM O=S(=O)(Nc1ccc(Cl)cc1[S-])c1cccc2nonc21 ZINC001260441038 1316339009 /nfs/dbraw/zinc/33/90/09/1316339009.db2.gz IYAOHQCTYJFORF-UHFFFAOYSA-N -1 1 341.801 2.966 20 10 EFCDMM O=S(=O)([N-]c1cc(Cl)c(F)cc1F)c1cccc2nonc21 ZINC001260441176 1316339045 /nfs/dbraw/zinc/33/90/45/1316339045.db2.gz SFHCIDGBHRINBM-UHFFFAOYSA-N -1 1 345.714 2.955 20 10 EFCDMM COc1ccc(F)cc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001260651804 1316354544 /nfs/dbraw/zinc/35/45/44/1316354544.db2.gz NUGXQXRWKRHZGW-UHFFFAOYSA-N -1 1 333.287 2.619 20 10 EFCDMM Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749145793 1324648574 /nfs/dbraw/zinc/64/85/74/1324648574.db2.gz OPUKNGHKVIKXEE-UHFFFAOYSA-N -1 1 339.344 2.647 20 10 EFCDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1F ZINC001320990428 1329328580 /nfs/dbraw/zinc/32/85/80/1329328580.db2.gz YXWSQCSCJYNBDY-UHFFFAOYSA-N -1 1 338.360 2.599 20 10 EFCDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1F ZINC001321020292 1329332214 /nfs/dbraw/zinc/33/22/14/1329332214.db2.gz ORFYQTZVNNJXPI-UHFFFAOYSA-N -1 1 338.360 2.599 20 10 EFCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)c(F)c1 ZINC001321311804 1329371420 /nfs/dbraw/zinc/37/14/20/1329371420.db2.gz OMZWNOGSVBEGBI-VIFPVBQESA-N -1 1 336.290 2.906 20 10 EFCDMM CCc1ccc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC001327979398 1330537148 /nfs/dbraw/zinc/53/71/48/1330537148.db2.gz GCKLWGUVEUNBEL-UHFFFAOYSA-N -1 1 344.386 2.762 20 10 EFCDMM C[C@H](Cc1cnc[nH]1)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000848079463 1334255960 /nfs/dbraw/zinc/25/59/60/1334255960.db2.gz IDPZXOPONVEEPX-MRVPVSSYSA-N -1 1 328.199 2.917 20 10 EFCDMM Cc1cc(C(=O)NC2CCC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233758 1429402283 /nfs/dbraw/zinc/40/22/83/1429402283.db2.gz GDMNFRJHDPZYEG-UHFFFAOYSA-N -1 1 336.399 2.557 20 10 EFCDMM COc1ccc(N(C)Cc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000826209387 1426544325 /nfs/dbraw/zinc/54/43/25/1426544325.db2.gz ZSJPIHIDRBCMMA-UHFFFAOYSA-N -1 1 330.779 2.560 20 10 EFCDMM CCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367973 1441714958 /nfs/dbraw/zinc/71/49/58/1441714958.db2.gz YQFOQIGQKQFOLK-TWGQIWQCSA-N -1 1 334.383 2.636 20 10 EFCDMM Cc1cc(N(C)C)ccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737270748 1441822121 /nfs/dbraw/zinc/82/21/21/1441822121.db2.gz PHWYWWWVSVFXEA-UHFFFAOYSA-N -1 1 343.822 2.902 20 10 EFCDMM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(C)c(C)cc1O ZINC000826186545 1443312821 /nfs/dbraw/zinc/31/28/21/1443312821.db2.gz YEEQNZCZUVHPDD-UHFFFAOYSA-N -1 1 325.372 2.810 20 10 EFCDMM Cc1cc(C(=O)OC(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737238125 1443360228 /nfs/dbraw/zinc/36/02/28/1443360228.db2.gz IXYLSICVRBAUDF-UHFFFAOYSA-N -1 1 325.372 2.839 20 10 EFCDMM CCN(Cc1cc(-c2nnn[n-]2)ccc1OC)c1ccc(OC)cc1 ZINC000825428366 1443608078 /nfs/dbraw/zinc/60/80/78/1443608078.db2.gz KWUAVFKJVGQEBZ-UHFFFAOYSA-N -1 1 339.399 2.910 20 10 EFCDMM Oc1ccccc1CN(Cc1ccco1)c1cccc(-c2nnn[n-]2)n1 ZINC000826511644 1450177895 /nfs/dbraw/zinc/17/78/95/1450177895.db2.gz YOJZYOFTZWOGGN-UHFFFAOYSA-N -1 1 348.366 2.767 20 10 EFCDMM COc1cc(OC)nc(NCc2cccc(Br)c2[O-])n1 ZINC000804654768 712910673 /nfs/dbraw/zinc/91/06/73/712910673.db2.gz YKMKXDBRKQXQAS-UHFFFAOYSA-N -1 1 340.177 2.574 20 10 EFCDMM O=S1(=O)CCN(Cc2c([O-])cccc2Cl)CCC12CCC2 ZINC000840970147 719830964 /nfs/dbraw/zinc/83/09/64/719830964.db2.gz QNYSRINCPCISEL-UHFFFAOYSA-N -1 1 329.849 2.589 20 10 EFCDMM [O-]c1c(Br)cccc1CNc1cccc(-n2cnnn2)c1 ZINC000048795988 722842902 /nfs/dbraw/zinc/84/29/02/722842902.db2.gz YSAUCCKURTYSTA-UHFFFAOYSA-N -1 1 346.188 2.743 20 10 EFCDMM [O-]c1c(F)cc(Br)cc1CN1CC2(C1)CCCOC2 ZINC000894976991 723041898 /nfs/dbraw/zinc/04/18/98/723041898.db2.gz PAXKHYJXMOMPRX-UHFFFAOYSA-N -1 1 330.197 2.906 20 10 EFCDMM CC1(C)Cc2cc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)ccc2O1 ZINC000729151575 725463533 /nfs/dbraw/zinc/46/35/33/725463533.db2.gz UAJOPUJBMSBVBN-LFIBNONCSA-N -1 1 334.375 2.862 20 10 EFCDMM CC1(C)Cc2cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)ccc2O1 ZINC000729151576 725463612 /nfs/dbraw/zinc/46/36/12/725463612.db2.gz UAJOPUJBMSBVBN-WJDWOHSUSA-N -1 1 334.375 2.862 20 10 EFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000840998649 725532157 /nfs/dbraw/zinc/53/21/57/725532157.db2.gz MUIWJPLRHKNAJB-CQSZACIVSA-N -1 1 328.206 2.760 20 10 EFCDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000151873216 725857399 /nfs/dbraw/zinc/85/73/99/725857399.db2.gz UQUBSLJDQIMEAT-UHFFFAOYSA-N -1 1 336.369 2.972 20 10 EFCDMM COc1ccc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916589444 727698949 /nfs/dbraw/zinc/69/89/49/727698949.db2.gz MAPNTMYXPIHGDC-RUDMXATFSA-N -1 1 328.320 2.546 20 10 EFCDMM O=C(COc1ccccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590194 727698953 /nfs/dbraw/zinc/69/89/53/727698953.db2.gz ICNPCZISYKKSTD-UHFFFAOYSA-N -1 1 336.727 2.556 20 10 EFCDMM CCN(CC)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916590383 727698966 /nfs/dbraw/zinc/69/89/66/727698966.db2.gz VSAZFISBZKZNEE-UHFFFAOYSA-N -1 1 343.379 2.984 20 10 EFCDMM O=C(COC(=O)c1ccc2ncsc2c1)c1ccc([O-])c(O)c1 ZINC000916590782 727699053 /nfs/dbraw/zinc/69/90/53/727699053.db2.gz OJQVPGZRWJMGHP-UHFFFAOYSA-N -1 1 329.333 2.747 20 10 EFCDMM Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)ccc1O ZINC000154319707 727785923 /nfs/dbraw/zinc/78/59/23/727785923.db2.gz NCTXAMYUGYXQOP-UHFFFAOYSA-N -1 1 340.332 2.857 20 10 EFCDMM C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)[C@@H]1C(=O)[O-] ZINC001589334632 953979691 /nfs/dbraw/zinc/97/96/91/953979691.db2.gz QNUCKEGQIKDFCK-ZANVPECISA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)[C@@H]1C(=O)[O-] ZINC001589334632 953979699 /nfs/dbraw/zinc/97/96/99/953979699.db2.gz QNUCKEGQIKDFCK-ZANVPECISA-N -1 1 328.206 2.840 20 10 EFCDMM O=C([O-])C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691420749 954684342 /nfs/dbraw/zinc/68/43/42/954684342.db2.gz AWUOYHNYQDUPCB-JTQLQIEISA-N -1 1 328.206 2.841 20 10 EFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691420749 954684348 /nfs/dbraw/zinc/68/43/48/954684348.db2.gz AWUOYHNYQDUPCB-JTQLQIEISA-N -1 1 328.206 2.841 20 10 EFCDMM Cc1cc(Br)cc(CN2CCC[C@]2(C)C(=O)[O-])c1O ZINC001594272054 957684628 /nfs/dbraw/zinc/68/46/28/957684628.db2.gz OREQHEYCZOZXEA-CQSZACIVSA-N -1 1 328.206 2.902 20 10 EFCDMM C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C(=O)[O-] ZINC001573725095 959892464 /nfs/dbraw/zinc/89/24/64/959892464.db2.gz BFCSBEYKBXRGHP-ZANVPECISA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C(=O)[O-] ZINC001573725095 959892474 /nfs/dbraw/zinc/89/24/74/959892474.db2.gz BFCSBEYKBXRGHP-ZANVPECISA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000235769128 960492379 /nfs/dbraw/zinc/49/23/79/960492379.db2.gz YLOBXCGLIAFGNC-AWEZNQCLSA-N -1 1 328.206 2.841 20 10 EFCDMM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000235769128 960492393 /nfs/dbraw/zinc/49/23/93/960492393.db2.gz YLOBXCGLIAFGNC-AWEZNQCLSA-N -1 1 328.206 2.841 20 10 EFCDMM COc1c([O-])c(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001574177193 962793740 /nfs/dbraw/zinc/79/37/40/962793740.db2.gz NYVORSYUBDAWIU-NSHDSACASA-N -1 1 340.376 2.678 20 10 EFCDMM Cc1cc(Br)c([O-])c(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC001605104235 972766184 /nfs/dbraw/zinc/76/61/84/972766184.db2.gz SUDRYERFMCPKAE-SECBINFHSA-N -1 1 328.206 2.901 20 10 EFCDMM O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000706636757 977356936 /nfs/dbraw/zinc/35/69/36/977356936.db2.gz BMXRBWUSGGVBNA-LBPRGKRZSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000706636757 977356940 /nfs/dbraw/zinc/35/69/40/977356940.db2.gz BMXRBWUSGGVBNA-LBPRGKRZSA-N -1 1 328.206 2.984 20 10 EFCDMM C[C@](CC(=O)[O-])([NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC001592318389 977703198 /nfs/dbraw/zinc/70/31/98/977703198.db2.gz PHCVFOAKLIUNJH-CQSZACIVSA-N -1 1 328.206 2.888 20 10 EFCDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808115344 978852218 /nfs/dbraw/zinc/85/22/18/978852218.db2.gz YTBCDWCYSPJXGE-UHFFFAOYSA-N -1 1 345.735 2.684 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c1[O-] ZINC001589267701 985947953 /nfs/dbraw/zinc/94/79/53/985947953.db2.gz HVCDUWMLXIOTLL-LKFCYVNXSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c1[O-] ZINC001589267701 985947965 /nfs/dbraw/zinc/94/79/65/985947965.db2.gz HVCDUWMLXIOTLL-LKFCYVNXSA-N -1 1 325.792 2.933 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1CC(=O)[O-] ZINC001599866633 989274992 /nfs/dbraw/zinc/27/49/92/989274992.db2.gz SWWRASCLLSVHDA-MWLCHTKSSA-N -1 1 328.206 2.697 20 10 EFCDMM CC(C)C[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])C(=O)[O-] ZINC001591160090 991905066 /nfs/dbraw/zinc/90/50/66/991905066.db2.gz JDIXTGAGOQXKRK-LLVKDONJSA-N -1 1 330.222 2.991 20 10 EFCDMM C[C@H](Nc1cccc(CCCO)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984895 1093208936 /nfs/dbraw/zinc/20/89/36/1093208936.db2.gz XEYQYCSFAJUCBN-LBPRGKRZSA-N -1 1 339.399 2.670 20 10 EFCDMM Cc1cc([O-])c(C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)c(Cl)c1 ZINC001600286793 1094946173 /nfs/dbraw/zinc/94/61/73/1094946173.db2.gz WBCVGEDLCQWOTJ-GFCCVEGCSA-N -1 1 327.808 2.810 20 10 EFCDMM Cc1cc([O-])c(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)c(Cl)c1 ZINC001600286793 1094946183 /nfs/dbraw/zinc/94/61/83/1094946183.db2.gz WBCVGEDLCQWOTJ-GFCCVEGCSA-N -1 1 327.808 2.810 20 10 EFCDMM O=C([O-])[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001601640130 1095780053 /nfs/dbraw/zinc/78/00/53/1095780053.db2.gz JEERTZWNFYXWNB-MRVPVSSYSA-N -1 1 342.111 2.650 20 10 EFCDMM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001601706878 1095851147 /nfs/dbraw/zinc/85/11/47/1095851147.db2.gz FWSYVJMYULBPEQ-GFCCVEGCSA-N -1 1 325.233 2.509 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001601757368 1095893641 /nfs/dbraw/zinc/89/36/41/1095893641.db2.gz SKMAFJRRXNGNJX-DYLAAIIWSA-N -1 1 340.763 2.639 20 10 EFCDMM O=C([O-])C[N@H+](CCCOC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC001602055959 1096043367 /nfs/dbraw/zinc/04/33/67/1096043367.db2.gz YKUNDUCTMCJPCC-UHFFFAOYSA-N -1 1 341.713 2.859 20 10 EFCDMM O=C([O-])C[N@@H+](CCCOC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC001602055959 1096043381 /nfs/dbraw/zinc/04/33/81/1096043381.db2.gz YKUNDUCTMCJPCC-UHFFFAOYSA-N -1 1 341.713 2.859 20 10 EFCDMM O=C([O-])C[N@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC001602055848 1096044134 /nfs/dbraw/zinc/04/41/34/1096044134.db2.gz WMZRRHIUAMIPFG-UHFFFAOYSA-N -1 1 327.808 2.749 20 10 EFCDMM O=C([O-])C[N@@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC001602055848 1096044146 /nfs/dbraw/zinc/04/41/46/1096044146.db2.gz WMZRRHIUAMIPFG-UHFFFAOYSA-N -1 1 327.808 2.749 20 10 EFCDMM O=C([O-])[C@]12C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]1COCC2 ZINC001602207730 1096117417 /nfs/dbraw/zinc/11/74/17/1096117417.db2.gz MPQUTYPTRRNHBQ-ZUZCIYMTSA-N -1 1 346.210 2.622 20 10 EFCDMM CC(C)Cn1cc(N[C@H](C)c2cccc(-c3nn[nH]n3)c2[O-])cn1 ZINC001603313519 1096502665 /nfs/dbraw/zinc/50/26/65/1096502665.db2.gz PENMINBYJZCZBV-LLVKDONJSA-N -1 1 327.392 2.598 20 10 EFCDMM CC[C@@H](Nc1cc(COC)ccn1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604063540 1096716722 /nfs/dbraw/zinc/71/67/22/1096716722.db2.gz GMVVQLNBXFNUKC-CQSZACIVSA-N -1 1 340.387 2.677 20 10 EFCDMM C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001604346384 1096822490 /nfs/dbraw/zinc/82/24/90/1096822490.db2.gz FDVKPOAFXXQHCD-LBPRGKRZSA-N -1 1 348.374 2.804 20 10 EFCDMM COc1ccc2c(c1)CCCCN2Cc1cccc(-c2nnn[n-]2)n1 ZINC001605308153 1097090698 /nfs/dbraw/zinc/09/06/98/1097090698.db2.gz MRVWXVCEZRYGBI-UHFFFAOYSA-N -1 1 336.399 2.613 20 10 EFCDMM COc1ccc2c(c1)CCCCN2Cc1cccc(-c2nn[n-]n2)n1 ZINC001605308153 1097090704 /nfs/dbraw/zinc/09/07/04/1097090704.db2.gz MRVWXVCEZRYGBI-UHFFFAOYSA-N -1 1 336.399 2.613 20 10 EFCDMM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(F)c(F)c1[O-] ZINC001606163069 1097333866 /nfs/dbraw/zinc/33/38/66/1097333866.db2.gz RCUAVELGMVNWIW-UHFFFAOYSA-N -1 1 337.322 2.766 20 10 EFCDMM O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NCc1cccc(Cl)c1[O-] ZINC001607081515 1097507889 /nfs/dbraw/zinc/50/78/89/1097507889.db2.gz FOMVPZOWTHCTMP-UHFFFAOYSA-N -1 1 346.734 2.746 20 10 EFCDMM O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCc1cccc(Cl)c1[O-] ZINC001607084680 1097510038 /nfs/dbraw/zinc/51/00/38/1097510038.db2.gz SJUFPDNRLKFJAR-UHFFFAOYSA-N -1 1 346.734 2.746 20 10 EFCDMM Cc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cnc1F ZINC001607636649 1097684244 /nfs/dbraw/zinc/68/42/44/1097684244.db2.gz YASXJZGTPBHDIZ-UHFFFAOYSA-N -1 1 338.766 2.975 20 10 EFCDMM Cc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cnc1F ZINC001607636649 1097684251 /nfs/dbraw/zinc/68/42/51/1097684251.db2.gz YASXJZGTPBHDIZ-UHFFFAOYSA-N -1 1 338.766 2.975 20 10 EFCDMM Cc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cnc1F ZINC001607636649 1097684254 /nfs/dbraw/zinc/68/42/54/1097684254.db2.gz YASXJZGTPBHDIZ-UHFFFAOYSA-N -1 1 338.766 2.975 20 10 EFCDMM Cc1nc(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1 ZINC001607954229 1097787616 /nfs/dbraw/zinc/78/76/16/1097787616.db2.gz CRHRZPGKNDEQPT-UHFFFAOYSA-N -1 1 340.832 2.940 20 10 EFCDMM Cc1nc(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1 ZINC001607954229 1097787618 /nfs/dbraw/zinc/78/76/18/1097787618.db2.gz CRHRZPGKNDEQPT-UHFFFAOYSA-N -1 1 340.832 2.940 20 10 EFCDMM O=C([O-])C1(C2(O)CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)CCC1 ZINC001608568628 1097958225 /nfs/dbraw/zinc/95/82/25/1097958225.db2.gz VYLJONCHBHBKGK-UHFFFAOYSA-N -1 1 339.819 2.627 20 10 EFCDMM O=C([O-])C[N@H+](CCC[C@H]1CCOC1)Cc1cc(Cl)ccc1[O-] ZINC001608745326 1098008522 /nfs/dbraw/zinc/00/85/22/1098008522.db2.gz ADKJAXAGALNDDI-LBPRGKRZSA-N -1 1 327.808 2.749 20 10 EFCDMM O=C([O-])C[N@@H+](CCC[C@H]1CCOC1)Cc1cc(Cl)ccc1[O-] ZINC001608745326 1098008524 /nfs/dbraw/zinc/00/85/24/1098008524.db2.gz ADKJAXAGALNDDI-LBPRGKRZSA-N -1 1 327.808 2.749 20 10 EFCDMM O=C([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001608773355 1098016710 /nfs/dbraw/zinc/01/67/10/1098016710.db2.gz GFRLIDZEBLOCTG-ZJUUUORDSA-N -1 1 328.206 2.888 20 10 EFCDMM O=C([O-])CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC001610773165 1098879116 /nfs/dbraw/zinc/87/91/16/1098879116.db2.gz IYCCVIAABPCYTK-LBPRGKRZSA-N -1 1 331.771 2.640 20 10 EFCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(O)cc1 ZINC000785033360 1101819713 /nfs/dbraw/zinc/81/97/13/1101819713.db2.gz LXNXPGNUGVFAJW-UHFFFAOYSA-N -1 1 330.336 2.507 20 10 EFCDMM C[C@H]1CN(Cc2c([O-])cc(Br)cc2F)CC[C@@]1(C)O ZINC001233027506 1107545146 /nfs/dbraw/zinc/54/51/46/1107545146.db2.gz AOMBPOOPSSPMCQ-LKFCYVNXSA-N -1 1 332.213 2.887 20 10 EFCDMM CCCNc1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000026616296 1108199447 /nfs/dbraw/zinc/19/94/47/1108199447.db2.gz ZGXBVRRTFMGTRR-UHFFFAOYSA-N -1 1 325.415 2.746 20 10 EFCDMM CN(C)c1nc(C(F)(F)F)ccc1C=C1SC(=S)[N-]C1=O ZINC000899335350 1109288913 /nfs/dbraw/zinc/28/89/13/1109288913.db2.gz APTMUAKLZHSYLX-ALCCZGGFSA-N -1 1 333.360 2.655 20 10 EFCDMM CN(Cc1cnn(C)c1)Cc1cc(F)cc(Br)c1[O-] ZINC001235300417 1111732499 /nfs/dbraw/zinc/73/24/99/1111732499.db2.gz YKWPZXXIOFHJBC-UHFFFAOYSA-N -1 1 328.185 2.659 20 10 EFCDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1[N+](=O)[O-] ZINC000184618303 1119271513 /nfs/dbraw/zinc/27/15/13/1119271513.db2.gz VZAPBZOLPQNQGA-UHFFFAOYSA-N -1 1 344.295 2.688 20 10 EFCDMM Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cc1 ZINC000184861493 1119564714 /nfs/dbraw/zinc/56/47/14/1119564714.db2.gz GOLZUYDSPYMESI-UHFFFAOYSA-N -1 1 345.380 2.789 20 10 EFCDMM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000296342795 241082867 /nfs/dbraw/zinc/08/28/67/241082867.db2.gz QKJDJQYDHMJFSJ-DOMZBBRYSA-N -1 1 331.343 2.887 20 10 EFCDMM CCC[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000296983532 241105163 /nfs/dbraw/zinc/10/51/63/241105163.db2.gz TXQLNTRDDJMHIW-NSHDSACASA-N -1 1 345.237 2.769 20 10 EFCDMM O=C(CSC(F)F)NCc1cccc(Br)c1[O-] ZINC000296982843 241106039 /nfs/dbraw/zinc/10/60/39/241106039.db2.gz ZEVSOAZMRIDPKZ-UHFFFAOYSA-N -1 1 326.162 2.727 20 10 EFCDMM COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c([O-])c1 ZINC000175425877 286278399 /nfs/dbraw/zinc/27/83/99/286278399.db2.gz SUPJCCYGGBBKLO-UHFFFAOYSA-N -1 1 328.368 2.506 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000177170247 277105581 /nfs/dbraw/zinc/10/55/81/277105581.db2.gz YUXWQLUIJYGHCY-MWLCHTKSSA-N -1 1 347.864 2.502 20 10 EFCDMM Cc1cccc(S(=O)(=O)CCC[N@@H+](C)Cc2ccccc2O)c1 ZINC000155553712 472567130 /nfs/dbraw/zinc/56/71/30/472567130.db2.gz XNALMRBXUMXNHN-UHFFFAOYSA-N -1 1 333.453 2.996 20 10 EFCDMM CS[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158084062 472890894 /nfs/dbraw/zinc/89/08/94/472890894.db2.gz GPYIDBBEVIEBAJ-SMDDNHRTSA-N -1 1 342.892 2.878 20 10 EFCDMM C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000282062902 473935534 /nfs/dbraw/zinc/93/55/34/473935534.db2.gz MKUCUPCNGNXDDF-RWEMILLDSA-N -1 1 328.206 2.584 20 10 EFCDMM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000188105748 473984009 /nfs/dbraw/zinc/98/40/09/473984009.db2.gz DLXSMSSUTFIGFO-SKDRFNHKSA-N -1 1 342.779 2.585 20 10 EFCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([O-])cc1F ZINC000181066809 474003338 /nfs/dbraw/zinc/00/33/38/474003338.db2.gz YDWYLMJHNWBIKX-UHFFFAOYSA-N -1 1 344.386 2.640 20 10 EFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000288709498 474028962 /nfs/dbraw/zinc/02/89/62/474028962.db2.gz XPQSCOAKDAVFRF-LURJTMIESA-N -1 1 341.127 2.905 20 10 EFCDMM C[C@@H](O)C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000276515267 474565113 /nfs/dbraw/zinc/56/51/13/474565113.db2.gz BQPCBCWMOIHHJT-DGCLKSJQSA-N -1 1 333.359 2.521 20 10 EFCDMM Cc1noc(C)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000277387576 474583319 /nfs/dbraw/zinc/58/33/19/474583319.db2.gz AHAAOBIYKWQMJU-UHFFFAOYSA-N -1 1 339.189 2.618 20 10 EFCDMM C[C@]1(C(=O)NCc2cccc(Br)c2[O-])CCCOC1 ZINC000277530718 474588940 /nfs/dbraw/zinc/58/89/40/474588940.db2.gz MLGSSZQFLINEQR-AWEZNQCLSA-N -1 1 328.206 2.588 20 10 EFCDMM CCCCO[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277553880 474590416 /nfs/dbraw/zinc/59/04/16/474590416.db2.gz OMVVRFDETZHGJM-SNVBAGLBSA-N -1 1 330.222 2.976 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)cc1 ZINC000277583882 474590444 /nfs/dbraw/zinc/59/04/44/474590444.db2.gz GBLPDEFFEDODLA-UHFFFAOYSA-N -1 1 337.397 2.989 20 10 EFCDMM COc1c(O)c(C[N@@H+]2CCS[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219070 474603905 /nfs/dbraw/zinc/60/39/05/474603905.db2.gz LIMWWOANMPKVDT-CYBMUJFWSA-N -1 1 326.418 2.882 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@H](CCc2ccccc2)C1 ZINC000278489507 474659163 /nfs/dbraw/zinc/65/91/63/474659163.db2.gz YPVZNLWGZJUJIV-CQSZACIVSA-N -1 1 345.370 2.711 20 10 EFCDMM CCC(CC)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273846998 475079858 /nfs/dbraw/zinc/07/98/58/475079858.db2.gz LBZNDIBBYHBCAU-UHFFFAOYSA-N -1 1 325.390 2.717 20 10 EFCDMM COc1ccccc1OC[C@@H](C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294790054 475083025 /nfs/dbraw/zinc/08/30/25/475083025.db2.gz BIMJXUSTGOCXNM-NSHDSACASA-N -1 1 349.358 2.690 20 10 EFCDMM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1c([O-])c(O)ccc1F ZINC000295029298 475098235 /nfs/dbraw/zinc/09/82/35/475098235.db2.gz IEYVHZKLNHAVST-LBPRGKRZSA-N -1 1 330.359 2.636 20 10 EFCDMM C[C@H](CCOCc1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295282637 475118036 /nfs/dbraw/zinc/11/80/36/475118036.db2.gz FYJSQTRZLVSMNM-GFCCVEGCSA-N -1 1 333.359 2.962 20 10 EFCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)C12CCC[NH+]1CCC2 ZINC000365611593 476646337 /nfs/dbraw/zinc/64/63/37/476646337.db2.gz WFGHOHKAPJUYFX-UHFFFAOYSA-N -1 1 329.227 2.944 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NCC1CC=CC1 ZINC000528148509 478658090 /nfs/dbraw/zinc/65/80/90/478658090.db2.gz ZBCOYLYPIMGDTP-UHFFFAOYSA-N -1 1 325.206 2.920 20 10 EFCDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000529173358 479073501 /nfs/dbraw/zinc/07/35/01/479073501.db2.gz SVRHKYQCWKTNIU-COMAGPEQSA-N -1 1 342.233 2.830 20 10 EFCDMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758170036 575861648 /nfs/dbraw/zinc/86/16/48/575861648.db2.gz GXZUQQUTCQJHDU-UHFFFAOYSA-N -1 1 341.408 2.801 20 10 EFCDMM CC1(O)CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000759752499 575930171 /nfs/dbraw/zinc/93/01/71/575930171.db2.gz WAUCAEABYVAZLL-UHFFFAOYSA-N -1 1 341.407 2.676 20 10 EFCDMM C[C@H](c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1)C(C)(C)C ZINC000762150247 576266046 /nfs/dbraw/zinc/26/60/46/576266046.db2.gz MWTMIXGFRMHSMN-SECBINFHSA-N -1 1 339.417 2.963 20 10 EFCDMM O=C(NCc1cccnc1)NCc1cccc(Br)c1[O-] ZINC000764744121 576497886 /nfs/dbraw/zinc/49/78/86/576497886.db2.gz FHOPNOMNEWHJDL-UHFFFAOYSA-N -1 1 336.189 2.549 20 10 EFCDMM C[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCCO1 ZINC000764795875 576504455 /nfs/dbraw/zinc/50/44/55/576504455.db2.gz BXNRUDXRADPEML-AWEZNQCLSA-N -1 1 343.221 2.523 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1Cc2ccccc2O1 ZINC000765727852 577070832 /nfs/dbraw/zinc/07/08/32/577070832.db2.gz PXYVUGSGNMRBHJ-CQSZACIVSA-N -1 1 348.196 2.775 20 10 EFCDMM O=C(NCc1cccc(Br)c1O)c1ccc([O-])c(F)c1 ZINC000765728477 577070922 /nfs/dbraw/zinc/07/09/22/577070922.db2.gz TVAUODQMMQNPNL-UHFFFAOYSA-N -1 1 340.148 2.929 20 10 EFCDMM CCc1nc(C(=O)NCc2cccc(Br)c2[O-])co1 ZINC000765731588 577071131 /nfs/dbraw/zinc/07/11/31/577071131.db2.gz JULUICGJICBZFR-UHFFFAOYSA-N -1 1 325.162 2.635 20 10 EFCDMM Cc1nc(CC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765751292 577072479 /nfs/dbraw/zinc/07/24/79/577072479.db2.gz DOUFBGGOYZNZCA-UHFFFAOYSA-N -1 1 341.230 2.779 20 10 EFCDMM Cc1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000765764615 577072973 /nfs/dbraw/zinc/07/29/73/577072973.db2.gz MWCAMGBNFYPEKU-UHFFFAOYSA-N -1 1 325.162 2.690 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(F)cn1 ZINC000765752652 577073006 /nfs/dbraw/zinc/07/30/06/577073006.db2.gz YIGZGNYZQLWJBC-UHFFFAOYSA-N -1 1 325.137 2.619 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(C2CC2)n1 ZINC000765758571 577073255 /nfs/dbraw/zinc/07/32/55/577073255.db2.gz ZFLDSMVJLQBNGP-UHFFFAOYSA-N -1 1 348.200 2.752 20 10 EFCDMM CCCc1cc(C(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000765766816 577073906 /nfs/dbraw/zinc/07/39/06/577073906.db2.gz CAHMVGPSKMQTHW-UHFFFAOYSA-N -1 1 338.205 2.760 20 10 EFCDMM CC(C)CO[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765766142 577074101 /nfs/dbraw/zinc/07/41/01/577074101.db2.gz VJCLVMWYRJNAFL-JTQLQIEISA-N -1 1 330.222 2.832 20 10 EFCDMM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@H]2CCCC[C@@H]12 ZINC000737751546 577253626 /nfs/dbraw/zinc/25/36/26/577253626.db2.gz MBOHJJHIQQSFJX-ZLDLUXBVSA-N -1 1 344.415 2.534 20 10 EFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000768192805 577260114 /nfs/dbraw/zinc/26/01/14/577260114.db2.gz UJJIPUIKBIRMNX-AWEZNQCLSA-N -1 1 345.270 2.996 20 10 EFCDMM CCn1nc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000769741833 577382077 /nfs/dbraw/zinc/38/20/77/577382077.db2.gz XTZNOCUIKOWHAU-QINSGFPZSA-N -1 1 332.363 2.518 20 10 EFCDMM CCS(=O)(=O)c1c(Cl)cccc1C=C1SC(=S)[N-]C1=O ZINC000774121106 581484464 /nfs/dbraw/zinc/48/44/64/581484464.db2.gz ONEHOSALDRGIDP-TWGQIWQCSA-N -1 1 347.870 2.622 20 10 EFCDMM CC[N@H+](CCC(=O)[O-])Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000737095721 600423679 /nfs/dbraw/zinc/42/36/79/600423679.db2.gz BUINOZWISCVEGO-UHFFFAOYSA-N -1 1 331.368 2.629 20 10 EFCDMM CC[N@@H+](CCC(=O)[O-])Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000737095721 600423680 /nfs/dbraw/zinc/42/36/80/600423680.db2.gz BUINOZWISCVEGO-UHFFFAOYSA-N -1 1 331.368 2.629 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1O ZINC000825946734 601151946 /nfs/dbraw/zinc/15/19/46/601151946.db2.gz NXHDHHXKPGSHAF-MRXNPFEDSA-N -1 1 331.343 2.992 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825946734 601151947 /nfs/dbraw/zinc/15/19/47/601151947.db2.gz NXHDHHXKPGSHAF-MRXNPFEDSA-N -1 1 331.343 2.992 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825946734 601151948 /nfs/dbraw/zinc/15/19/48/601151948.db2.gz NXHDHHXKPGSHAF-MRXNPFEDSA-N -1 1 331.343 2.992 20 10 EFCDMM O=C([O-])C[C@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000833220275 601376275 /nfs/dbraw/zinc/37/62/75/601376275.db2.gz XXPQCKIOZHRKQL-ZDUSSCGKSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000833220275 601376277 /nfs/dbraw/zinc/37/62/77/601376277.db2.gz XXPQCKIOZHRKQL-ZDUSSCGKSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000833220275 601376279 /nfs/dbraw/zinc/37/62/79/601376279.db2.gz XXPQCKIOZHRKQL-ZDUSSCGKSA-N -1 1 341.363 2.967 20 10 EFCDMM COc1ccc(N2CCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1F ZINC000832383890 601551715 /nfs/dbraw/zinc/55/17/15/601551715.db2.gz PQQFOTPYSAVAHR-UHFFFAOYSA-N -1 1 344.386 2.855 20 10 EFCDMM COc1ccc(N2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000321062648 601935754 /nfs/dbraw/zinc/93/57/54/601935754.db2.gz ZMICEJQWTDQMAJ-UHFFFAOYSA-N -1 1 332.425 2.777 20 10 EFCDMM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1nncn1C ZINC000708077050 1259607796 /nfs/dbraw/zinc/60/77/96/1259607796.db2.gz OVMQCJXOUIEAOC-SSDOTTSWSA-N -1 1 345.628 2.787 20 10 EFCDMM CCn1cc(CNCc2cc(Cl)cc(Br)c2[O-])nn1 ZINC000708112015 1259669638 /nfs/dbraw/zinc/66/96/38/1259669638.db2.gz ZJSBJEGEJHIDFI-UHFFFAOYSA-N -1 1 345.628 2.709 20 10 EFCDMM O=C1CC[C@@H]2[C@@H](CCN2Cc2c(F)ccc(F)c2[O-])N1CC(F)F ZINC001273205975 1263260010 /nfs/dbraw/zinc/26/00/10/1263260010.db2.gz GTSXOJHHPOJNEA-CHWSQXEVSA-N -1 1 346.324 2.501 20 10 EFCDMM Cn1ccnc1[C@H](NCc1cc(Cl)cc(F)c1[O-])C(C)(C)CO ZINC000824673414 1278240055 /nfs/dbraw/zinc/24/00/55/1278240055.db2.gz SPBRBARJNOPOON-AWEZNQCLSA-N -1 1 341.814 2.768 20 10 EFCDMM Cc1ccccc1C(=O)N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137840210 1275194208 /nfs/dbraw/zinc/19/42/08/1275194208.db2.gz SWFOEUMIQDORLW-UHFFFAOYSA-N -1 1 328.387 2.798 20 10 EFCDMM CC(C)(C)c1cnc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)o1 ZINC000786205353 1275327539 /nfs/dbraw/zinc/32/75/39/1275327539.db2.gz ASXKSAJGHPXEFG-UHFFFAOYSA-N -1 1 347.367 2.742 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000788301978 1276119174 /nfs/dbraw/zinc/11/91/74/1276119174.db2.gz UZUNLQWGXABNCX-CQSZACIVSA-N -1 1 335.306 2.590 20 10 EFCDMM O=C(CNc1cccc(OC(F)(F)F)n1)c1ccc([O-])c(O)c1 ZINC001170314087 1279009834 /nfs/dbraw/zinc/00/98/34/1279009834.db2.gz MOROVQWKRADDDZ-UHFFFAOYSA-N -1 1 328.246 2.686 20 10 EFCDMM Cc1nc2cnc(Cl)cc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170314202 1279010741 /nfs/dbraw/zinc/01/07/41/1279010741.db2.gz SEAVBXYSASMRLS-UHFFFAOYSA-N -1 1 344.758 2.693 20 10 EFCDMM CCOC(=O)c1c(NCC(=O)c2ccc([O-])c(O)c2)cccc1OC ZINC001170320477 1279013103 /nfs/dbraw/zinc/01/31/03/1279013103.db2.gz CJBUDJVMHBIVQI-UHFFFAOYSA-N -1 1 345.351 2.578 20 10 EFCDMM CC1(C)C(=O)Nc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC001170320729 1279013853 /nfs/dbraw/zinc/01/38/53/1279013853.db2.gz KYYUDPFHBVQVKP-UHFFFAOYSA-N -1 1 326.352 2.622 20 10 EFCDMM CC(=O)Oc1c[nH]c2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC001170322197 1279015087 /nfs/dbraw/zinc/01/50/87/1279015087.db2.gz HCLNGSNWONUZII-UHFFFAOYSA-N -1 1 340.335 2.799 20 10 EFCDMM CC(=O)Nc1cc(C)c(C)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170323368 1279015194 /nfs/dbraw/zinc/01/51/94/1279015194.db2.gz YQTSKSGLOPQPRJ-UHFFFAOYSA-N -1 1 328.368 2.968 20 10 EFCDMM COc1cc(NCC(=O)c2ccc([O-])c(O)c2)cc([N+](=O)[O-])c1C ZINC001170321730 1279015253 /nfs/dbraw/zinc/01/52/53/1279015253.db2.gz DYLUJULDISGAOC-UHFFFAOYSA-N -1 1 332.312 2.618 20 10 EFCDMM COC(=O)c1c[nH]c2c1cccc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001170323303 1279015306 /nfs/dbraw/zinc/01/53/06/1279015306.db2.gz WFOJISABKDYWCU-UHFFFAOYSA-N -1 1 340.335 2.661 20 10 EFCDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000788735131 1276299374 /nfs/dbraw/zinc/29/93/74/1276299374.db2.gz AXHGORZOESLPHY-UHFFFAOYSA-N -1 1 335.381 2.678 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000817874743 1276355552 /nfs/dbraw/zinc/35/55/52/1276355552.db2.gz PZNDFDDJALFTBB-BXKDBHETSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000817874743 1276355555 /nfs/dbraw/zinc/35/55/55/1276355555.db2.gz PZNDFDDJALFTBB-BXKDBHETSA-N -1 1 325.792 2.791 20 10 EFCDMM COc1ccc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])c(OC)c1 ZINC000789938382 1277102267 /nfs/dbraw/zinc/10/22/67/1277102267.db2.gz BLFHDWUVQNVQDG-UHFFFAOYSA-N -1 1 335.331 2.526 20 10 EFCDMM O=C(NCc1ccnc(OC2CCCC2)c1)c1c(F)ccc(O)c1[O-] ZINC000789957521 1277121371 /nfs/dbraw/zinc/12/13/71/1277121371.db2.gz RZACWUPKFACIIH-UHFFFAOYSA-N -1 1 346.358 2.883 20 10 EFCDMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789977657 1277139507 /nfs/dbraw/zinc/13/95/07/1277139507.db2.gz WSPXLULUIIUNPA-BONVTDFDSA-N -1 1 325.380 2.808 20 10 EFCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccc(-n2cccn2)cc1 ZINC000789990780 1277151418 /nfs/dbraw/zinc/15/14/18/1277151418.db2.gz RAKUSIHYBXAZPB-NSHDSACASA-N -1 1 341.342 2.914 20 10 EFCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(-n2cccn2)c1 ZINC000789989381 1277151509 /nfs/dbraw/zinc/15/15/09/1277151509.db2.gz HCJNVKDECRZPRG-LLVKDONJSA-N -1 1 341.342 2.914 20 10 EFCDMM CN(CCO)c1ccc(NCc2c([O-])ccc(Cl)c2F)nc1 ZINC000790240878 1277364703 /nfs/dbraw/zinc/36/47/03/1277364703.db2.gz LRFHVLURXHDMLY-UHFFFAOYSA-N -1 1 325.771 2.620 20 10 EFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000790416672 1277527694 /nfs/dbraw/zinc/52/76/94/1277527694.db2.gz ASSYUKKPFNWEHB-UHFFFAOYSA-N -1 1 335.381 2.542 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792703522 1279128034 /nfs/dbraw/zinc/12/80/34/1279128034.db2.gz YKZDDBRJRUBWTA-UHFFFAOYSA-N -1 1 325.411 2.924 20 10 EFCDMM COc1ccc(N(C)CCN(C)C(=O)c2ccc([O-])cc2F)cc1 ZINC000846442760 1280181751 /nfs/dbraw/zinc/18/17/51/1280181751.db2.gz WMFJEVRGNVRANC-UHFFFAOYSA-N -1 1 332.375 2.748 20 10 EFCDMM COc1ccc(N(C)CCN(C)C(=O)c2c([O-])cccc2F)cc1 ZINC000846442721 1280182374 /nfs/dbraw/zinc/18/23/74/1280182374.db2.gz VDQPVANTYKQGJM-UHFFFAOYSA-N -1 1 332.375 2.748 20 10 EFCDMM Cc1nc(C(C)C)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000815349343 1287438406 /nfs/dbraw/zinc/43/84/06/1287438406.db2.gz CLVDHPJMMJLFSC-UHFFFAOYSA-N -1 1 329.352 2.964 20 10 EFCDMM O=C(COC(=O)c1ccccc1OC1CC1)c1ccc([O-])c(O)c1 ZINC000805724792 1280744831 /nfs/dbraw/zinc/74/48/31/1280744831.db2.gz WZUDJVSJXYLCOV-UHFFFAOYSA-N -1 1 328.320 2.679 20 10 EFCDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000808098182 1281534810 /nfs/dbraw/zinc/53/48/10/1281534810.db2.gz GFKHSRFZWQYDKS-UHFFFAOYSA-N -1 1 348.424 2.593 20 10 EFCDMM COc1ccccc1C(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825606704 1287635351 /nfs/dbraw/zinc/63/53/51/1287635351.db2.gz JZZJGDLFIDWFJE-UHFFFAOYSA-N -1 1 333.359 2.953 20 10 EFCDMM NC(=O)NC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816601307 1288221503 /nfs/dbraw/zinc/22/15/03/1288221503.db2.gz XOILQQDNFISXTA-UHFFFAOYSA-N -1 1 337.738 2.605 20 10 EFCDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(O)cc1OC(C)C ZINC000817356858 1288548475 /nfs/dbraw/zinc/54/84/75/1288548475.db2.gz WLCKPMZBPBGUNW-AWEZNQCLSA-N -1 1 345.461 2.982 20 10 EFCDMM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000822395603 1288972588 /nfs/dbraw/zinc/97/25/88/1288972588.db2.gz BJESGIOTXYFHSY-UHFFFAOYSA-N -1 1 341.379 2.725 20 10 EFCDMM CN(C)C(=O)O[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824615850 1289729046 /nfs/dbraw/zinc/72/90/46/1289729046.db2.gz NJHKHAAIRUFZHW-LBPRGKRZSA-N -1 1 330.787 2.847 20 10 EFCDMM Cc1ccccc1CC1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001185191293 1290613092 /nfs/dbraw/zinc/61/30/92/1290613092.db2.gz GCERNFMAEQPALJ-UHFFFAOYSA-N -1 1 339.391 2.728 20 10 EFCDMM Cc1c(O)ccc([N-]S(=O)(=O)c2ccc3nsnc3c2)c1C ZINC001186263484 1290917074 /nfs/dbraw/zinc/91/70/74/1290917074.db2.gz UPDCCONZCUKALT-UHFFFAOYSA-N -1 1 335.410 2.815 20 10 EFCDMM C[C@H]1CCCN(Cc2c([O-])cc(Br)cc2F)[C@H]1CO ZINC001233027055 1312835004 /nfs/dbraw/zinc/83/50/04/1312835004.db2.gz KUYVAIMRWPZKNK-ZANVPECISA-N -1 1 332.213 2.887 20 10 EFCDMM C[C@@H]1CCCN(Cc2c([O-])cc(Br)cc2F)[C@H]1CO ZINC001233027052 1312835584 /nfs/dbraw/zinc/83/55/84/1312835584.db2.gz KUYVAIMRWPZKNK-RNCFNFMXSA-N -1 1 332.213 2.887 20 10 EFCDMM Cn1ncc(Br)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000877674733 1291324677 /nfs/dbraw/zinc/32/46/77/1291324677.db2.gz LGJJTMSQMRJDDP-UHFFFAOYSA-N -1 1 348.603 2.971 20 10 EFCDMM CC(C)(C)OC(=O)NCC1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233076438 1312850280 /nfs/dbraw/zinc/85/02/80/1312850280.db2.gz ODZQEYQMMMVTCB-UHFFFAOYSA-N -1 1 328.359 2.627 20 10 EFCDMM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC001233078882 1312851184 /nfs/dbraw/zinc/85/11/84/1312851184.db2.gz MRLBMYAZPJXYJP-YPMHNXCESA-N -1 1 340.370 2.722 20 10 EFCDMM O=S(=O)(Cc1ccc(F)cc1F)Nc1cc(F)c([O-])c(F)c1 ZINC001189824285 1291883097 /nfs/dbraw/zinc/88/30/97/1291883097.db2.gz UGDGZMWDTBFTFT-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2c1cnn2C ZINC001233333175 1312904728 /nfs/dbraw/zinc/90/47/28/1312904728.db2.gz MHZGHYQDOCTBPM-LLVKDONJSA-N -1 1 337.370 2.540 20 10 EFCDMM CN(C(=O)OC(C)(C)C)C1CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233331861 1312904838 /nfs/dbraw/zinc/90/48/38/1312904838.db2.gz NJXSLYHEAVWIAQ-UHFFFAOYSA-N -1 1 328.359 2.722 20 10 EFCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331793 1312904844 /nfs/dbraw/zinc/90/48/44/1312904844.db2.gz LFZRMOMWZOGJPI-UHFFFAOYSA-N -1 1 328.359 2.723 20 10 EFCDMM COC(=O)CCN(Cc1ccco1)Cc1c([O-])ccc(F)c1F ZINC001233334320 1312905768 /nfs/dbraw/zinc/90/57/68/1312905768.db2.gz BSUNAZDJJSQPDS-UHFFFAOYSA-N -1 1 325.311 2.829 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1CCn2cc(C(F)(F)F)nc2C1 ZINC001233334426 1312906125 /nfs/dbraw/zinc/90/61/25/1312906125.db2.gz GHPRVGWNTNSOKF-UHFFFAOYSA-N -1 1 333.260 2.902 20 10 EFCDMM COc1cccc(CN2CCN(Cc3c([O-])ccc(F)c3F)CC2)c1 ZINC001233335135 1312906712 /nfs/dbraw/zinc/90/67/12/1312906712.db2.gz IPFZFUPOCVZAMV-UHFFFAOYSA-N -1 1 348.393 2.997 20 10 EFCDMM C[C@H]1CN(C2CN(Cc3cccc(C(F)(F)F)c3[O-])C2)C[C@H](C)O1 ZINC001233419749 1312928698 /nfs/dbraw/zinc/92/86/98/1312928698.db2.gz LCWWGDJUVQFQEQ-RYUDHWBXSA-N -1 1 344.377 2.704 20 10 EFCDMM CC1(C)CN(C2CN(Cc3cccc(C(F)(F)F)c3[O-])C2)CCO1 ZINC001233418625 1312928917 /nfs/dbraw/zinc/92/89/17/1312928917.db2.gz OYIWEZYGGQWDBJ-UHFFFAOYSA-N -1 1 344.377 2.706 20 10 EFCDMM CC(C)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419575 1312929011 /nfs/dbraw/zinc/92/90/11/1312929011.db2.gz DZXOFHKCQOQJOH-UHFFFAOYSA-N -1 1 330.350 2.711 20 10 EFCDMM CCCc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc1F ZINC001191993597 1292734449 /nfs/dbraw/zinc/73/44/49/1292734449.db2.gz NHQKPXIBQLVUSN-UHFFFAOYSA-N -1 1 331.343 2.802 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC2(CCSCC2)CC1 ZINC000881104388 1292756672 /nfs/dbraw/zinc/75/66/72/1292756672.db2.gz SGLOZQZNBZCSEJ-UHFFFAOYSA-N -1 1 325.405 2.986 20 10 EFCDMM O=C(Nc1cnc(C(F)(F)F)nc1)c1ccc(O)c([O-])c1Cl ZINC001193209657 1293198495 /nfs/dbraw/zinc/19/84/95/1293198495.db2.gz MZRSYBOJGLIYER-UHFFFAOYSA-N -1 1 333.653 2.812 20 10 EFCDMM O=C(Nc1cncc(C(F)(F)F)n1)c1ccc(O)c([O-])c1Cl ZINC001193209255 1293198561 /nfs/dbraw/zinc/19/85/61/1293198561.db2.gz HQKAPAVYIOAPAX-UHFFFAOYSA-N -1 1 333.653 2.812 20 10 EFCDMM Cc1cc2ncc(C)c(NC(=O)c3ccc(O)c([O-])c3Cl)n2n1 ZINC001193210414 1293198783 /nfs/dbraw/zinc/19/87/83/1293198783.db2.gz YVQBSYRVPKBHBG-UHFFFAOYSA-N -1 1 332.747 2.663 20 10 EFCDMM CCOC(=O)c1cccc(NC(=O)c2ccc(O)c([O-])c2Cl)n1 ZINC001193218770 1293199294 /nfs/dbraw/zinc/19/92/94/1293199294.db2.gz DGFCLLWWSOUGCR-UHFFFAOYSA-N -1 1 336.731 2.575 20 10 EFCDMM O=C(Nc1nc(Cl)cc2nc[nH]c21)c1ccc(O)c([O-])c1Cl ZINC001193218671 1293199501 /nfs/dbraw/zinc/19/95/01/1293199501.db2.gz CCJZDNMBZFAUAT-UHFFFAOYSA-N -1 1 339.138 2.928 20 10 EFCDMM CCc1cc2ncc(NC(=O)c3ccc(O)c([O-])c3Cl)cn2n1 ZINC001193220055 1293199578 /nfs/dbraw/zinc/19/95/78/1293199578.db2.gz PYISGSKVORZTMB-UHFFFAOYSA-N -1 1 332.747 2.609 20 10 EFCDMM COc1cc2c(cc1C)C[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193236643 1293208432 /nfs/dbraw/zinc/20/84/32/1293208432.db2.gz KVIGCKXFUIPRDU-LBPRGKRZSA-N -1 1 347.798 2.965 20 10 EFCDMM Cn1ncc2c1cccc2CNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247232 1293213141 /nfs/dbraw/zinc/21/31/41/1293213141.db2.gz PZTNDFFWBIZWTG-UHFFFAOYSA-N -1 1 331.759 2.568 20 10 EFCDMM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc(F)c(O)c(F)c1 ZINC001194094449 1293529767 /nfs/dbraw/zinc/52/97/67/1293529767.db2.gz ACZWNFXQZGYNMQ-UHFFFAOYSA-N -1 1 340.307 2.754 20 10 EFCDMM O=S(=O)(Cc1noc2ccccc21)Nc1cc(F)c([O-])c(F)c1 ZINC001194094449 1293529774 /nfs/dbraw/zinc/52/97/74/1293529774.db2.gz ACZWNFXQZGYNMQ-UHFFFAOYSA-N -1 1 340.307 2.754 20 10 EFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)c1sccc1C(F)(F)F ZINC001195219064 1293854077 /nfs/dbraw/zinc/85/40/77/1293854077.db2.gz AVZQLZLZQZPCRT-UHFFFAOYSA-N -1 1 345.298 2.791 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001234473883 1313135845 /nfs/dbraw/zinc/13/58/45/1313135845.db2.gz LLOUFVXWXINPII-ZDUSSCGKSA-N -1 1 329.308 2.755 20 10 EFCDMM CCOC(=O)[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccccc1 ZINC001234473522 1313135878 /nfs/dbraw/zinc/13/58/78/1313135878.db2.gz GVZCODJDWRVJFD-KRWDZBQOSA-N -1 1 330.336 2.984 20 10 EFCDMM CCO[C@@H](CCNC(=O)c1c(F)ccc(O)c1[O-])C1CCCC1 ZINC000826609183 1295703409 /nfs/dbraw/zinc/70/34/09/1295703409.db2.gz BNTOVJMUDIEHIG-AWEZNQCLSA-N -1 1 325.380 2.952 20 10 EFCDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001201760398 1297060438 /nfs/dbraw/zinc/06/04/38/1297060438.db2.gz JZBQKUQFAFPUSJ-UHFFFAOYSA-N -1 1 340.760 2.890 20 10 EFCDMM CC[C@H]1C(=O)NCC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000106855674 1297584664 /nfs/dbraw/zinc/58/46/64/1297584664.db2.gz IBMSCYZFDMDAQI-AWEZNQCLSA-N -1 1 328.412 2.728 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CC(N3CC[C@H](F)C3)C2)c1 ZINC001236663236 1313505305 /nfs/dbraw/zinc/50/53/05/1313505305.db2.gz FMUZCTIVOIENNW-LBPRGKRZSA-N -1 1 343.240 2.691 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCC(=O)[C@@H](F)CC2)c1 ZINC001236664584 1313505509 /nfs/dbraw/zinc/50/55/09/1313505509.db2.gz WAPOVOSQKNWKRW-LBPRGKRZSA-N -1 1 330.197 2.966 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN(CCO)CC(F)(F)F)c1 ZINC001236670436 1313506344 /nfs/dbraw/zinc/50/63/44/1313506344.db2.gz YKICRUDSAGXSFS-UHFFFAOYSA-N -1 1 342.155 2.820 20 10 EFCDMM CCOC(=O)[C@@H]1CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001236670391 1313506416 /nfs/dbraw/zinc/50/64/16/1313506416.db2.gz XPDQXFVKNLGZDL-ZDUSSCGKSA-N -1 1 342.233 2.991 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001236794105 1313530067 /nfs/dbraw/zinc/53/00/67/1313530067.db2.gz PKWXOTVLFMJITN-STQMWFEESA-N -1 1 326.170 2.943 20 10 EFCDMM C[C@@H]1CN(C2CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C[C@@H](C)O1 ZINC001236805235 1313531877 /nfs/dbraw/zinc/53/18/77/1313531877.db2.gz YAHSXAJXHPEXNX-GHMZBOCLSA-N -1 1 345.270 2.992 20 10 EFCDMM C[C@H]1CN(C2CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C[C@H](C)O1 ZINC001236805237 1313532581 /nfs/dbraw/zinc/53/25/81/1313532581.db2.gz YAHSXAJXHPEXNX-QWRGUYRKSA-N -1 1 345.270 2.992 20 10 EFCDMM COC(=O)CN(Cc1ccc(OC)c(Cl)c1[O-])C1CCCC1 ZINC001236807003 1313533403 /nfs/dbraw/zinc/53/34/03/1313533403.db2.gz LOEWHNYDVOHUQA-UHFFFAOYSA-N -1 1 327.808 2.972 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(c2cnccn2)CC1 ZINC001237077389 1313582798 /nfs/dbraw/zinc/58/27/98/1313582798.db2.gz GWTOTVNVJOMUIH-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM CN(Cc1c([O-])ccc(Cl)c1Cl)C1CCS(=O)(=O)CC1 ZINC001237085403 1313583844 /nfs/dbraw/zinc/58/38/44/1313583844.db2.gz ZCTXAOYNRCHVTE-UHFFFAOYSA-N -1 1 338.256 2.708 20 10 EFCDMM COC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2cn(C)nc21 ZINC001237123580 1313590249 /nfs/dbraw/zinc/59/02/49/1313590249.db2.gz JOXZSKWFVADBPK-LLVKDONJSA-N -1 1 339.798 2.664 20 10 EFCDMM COC[C@H]1Cn2nccc2CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125937 1313591084 /nfs/dbraw/zinc/59/10/84/1313591084.db2.gz WALRLNXEHMIMOM-LLVKDONJSA-N -1 1 339.798 2.660 20 10 EFCDMM C[C@@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306034521 1299443289 /nfs/dbraw/zinc/44/32/89/1299443289.db2.gz LWKFKDFJVVNZNY-BXKDBHETSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306034521 1299443297 /nfs/dbraw/zinc/44/32/97/1299443297.db2.gz LWKFKDFJVVNZNY-BXKDBHETSA-N -1 1 328.206 2.697 20 10 EFCDMM CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001237617544 1313678186 /nfs/dbraw/zinc/67/81/86/1313678186.db2.gz BEZKROWNHWTACN-INIZCTEOSA-N -1 1 326.799 2.772 20 10 EFCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000088547720 1300543066 /nfs/dbraw/zinc/54/30/66/1300543066.db2.gz YSZUCHDYPMNCAT-UHFFFAOYSA-N -1 1 348.424 2.724 20 10 EFCDMM [O-]c1c(I)cccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237776570 1313704258 /nfs/dbraw/zinc/70/42/58/1313704258.db2.gz KKKJLCLJXOEHAS-GARJFASQSA-N -1 1 347.171 2.787 20 10 EFCDMM [O-]c1c(I)cccc1CN1CCC[C@@H](F)C1 ZINC001237780251 1313704842 /nfs/dbraw/zinc/70/48/42/1313704842.db2.gz RHTUHRQQMUWUNO-SNVBAGLBSA-N -1 1 335.160 2.931 20 10 EFCDMM CC(=O)[C@@H]1CCCN1Cc1cccc(I)c1[O-] ZINC001237785517 1313705671 /nfs/dbraw/zinc/70/56/71/1313705671.db2.gz GNKQKEVCIZVNBF-LBPRGKRZSA-N -1 1 345.180 2.550 20 10 EFCDMM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3cccc(F)c3O)C2)C1 ZINC001276538612 1313707446 /nfs/dbraw/zinc/70/74/46/1313707446.db2.gz XXODFOPCXQEHAN-MRXNPFEDSA-N -1 1 342.414 2.698 20 10 EFCDMM O=S(=O)(Nc1ccc([O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC000776750378 1300634197 /nfs/dbraw/zinc/63/41/97/1300634197.db2.gz BSUIHYKYQJDXDU-UHFFFAOYSA-N -1 1 338.816 2.761 20 10 EFCDMM O=C1OCCCN1C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237801469 1313708673 /nfs/dbraw/zinc/70/86/73/1313708673.db2.gz IBGYGAYEISOUMW-UHFFFAOYSA-N -1 1 342.798 2.991 20 10 EFCDMM CC(C)C(=O)NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237814489 1313711977 /nfs/dbraw/zinc/71/19/77/1313711977.db2.gz RSWAJFSMDJMBLQ-UHFFFAOYSA-N -1 1 328.815 2.921 20 10 EFCDMM O=C(C1CCC1)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237950628 1313735424 /nfs/dbraw/zinc/73/54/24/1313735424.db2.gz YQUUYKHSDAHQRF-UHFFFAOYSA-N -1 1 326.799 2.629 20 10 EFCDMM O=C(c1ccco1)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237947623 1313735695 /nfs/dbraw/zinc/73/56/95/1313735695.db2.gz RZFONRVJHZENBR-UHFFFAOYSA-N -1 1 338.766 2.736 20 10 EFCDMM O=C([O-])C1(C[NH2+]Cc2c([O-])cccc2Br)CCCC1 ZINC000864504989 1302953520 /nfs/dbraw/zinc/95/35/20/1302953520.db2.gz WAFHCVMYLLBQAP-UHFFFAOYSA-N -1 1 328.206 2.889 20 10 EFCDMM COc1cccc(C(C)(C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000870025890 1305090766 /nfs/dbraw/zinc/09/07/66/1305090766.db2.gz GQXMTXPTQWIPHO-UHFFFAOYSA-N -1 1 344.363 2.810 20 10 EFCDMM CCOC(=O)c1cc2c(cc(C)nc2-c2cncc(C(=O)[O-])c2)n1C ZINC001241799977 1314151349 /nfs/dbraw/zinc/15/13/49/1314151349.db2.gz HTGGTUVULRXDQE-UHFFFAOYSA-N -1 1 339.351 2.819 20 10 EFCDMM COC(=O)c1cc2c(o1)c(OC)ccc2C=C1SC(=S)[N-]C1=O ZINC000748994646 1314231798 /nfs/dbraw/zinc/23/17/98/1314231798.db2.gz PXKWEGXJCKYTDR-VZUCSPMQSA-N -1 1 349.389 2.717 20 10 EFCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2OC)c(C)c1 ZINC000901703946 1310908447 /nfs/dbraw/zinc/90/84/47/1310908447.db2.gz MSOQDHGLFRVXPW-UHFFFAOYSA-N -1 1 337.397 2.827 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000901703903 1310908491 /nfs/dbraw/zinc/90/84/91/1310908491.db2.gz LHVOQTGNLPOMNH-SNVBAGLBSA-N -1 1 335.381 2.525 20 10 EFCDMM O=C([C@H]1CC12CN(Cc1c(F)ccc(F)c1[O-])C2)N1CCCC12CC2 ZINC001276943368 1311338555 /nfs/dbraw/zinc/33/85/55/1311338555.db2.gz XYTLZXZBFSKHMB-CYBMUJFWSA-N -1 1 348.393 2.647 20 10 EFCDMM Cc1cccc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CC2)c1 ZINC000783123714 1311370146 /nfs/dbraw/zinc/37/01/46/1311370146.db2.gz NYCPIINLEOIAOD-UHFFFAOYSA-N -1 1 326.348 2.864 20 10 EFCDMM O=C(CNc1nccc2c(Cl)ccnc21)c1ccc([O-])c(O)c1 ZINC001159277737 1311484362 /nfs/dbraw/zinc/48/43/62/1311484362.db2.gz XOVBFPDVDXUXMN-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM CSc1nc2c(c(NCC(=O)c3ccc([O-])c(O)c3)n1)CCCC2 ZINC001159277741 1311484410 /nfs/dbraw/zinc/48/44/10/1311484410.db2.gz XWJXRUAYTDPKAK-UHFFFAOYSA-N -1 1 345.424 2.783 20 10 EFCDMM O=C(CNc1nc(Cl)nc2c1CSC2)c1ccc([O-])c(O)c1 ZINC001159276401 1311484423 /nfs/dbraw/zinc/48/44/23/1311484423.db2.gz HMQSPRVOJMUPSK-UHFFFAOYSA-N -1 1 337.788 2.583 20 10 EFCDMM O=C(CNc1ncnc2c(Cl)cccc12)c1ccc([O-])c(O)c1 ZINC001159277276 1311484466 /nfs/dbraw/zinc/48/44/66/1311484466.db2.gz SQQXBQJHYCOEFH-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNC(F)(F)Oc1ccc(Cl)nc1)c1ccc([O-])c(O)c1 ZINC001159277284 1311484635 /nfs/dbraw/zinc/48/46/35/1311484635.db2.gz STGOXRSYZLNEJR-UHFFFAOYSA-N -1 1 344.701 2.548 20 10 EFCDMM O=C(CNc1ncc2ccc(Cl)cc2n1)c1ccc([O-])c(O)c1 ZINC001159279558 1311484664 /nfs/dbraw/zinc/48/46/64/1311484664.db2.gz UNFIYYGOMUEXIA-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1ncc2c(n1)-c1ccccc1CC2)c1ccc([O-])c(O)c1 ZINC001159279530 1311484731 /nfs/dbraw/zinc/48/47/31/1311484731.db2.gz SAIPOSWTESYVQP-UHFFFAOYSA-N -1 1 347.374 2.948 20 10 EFCDMM CCc1c(Cl)nnc(NCC(=O)c2ccc([O-])c(O)c2)c1CC ZINC001159278822 1311484791 /nfs/dbraw/zinc/48/47/91/1311484791.db2.gz CNPVETXGGWAHJY-UHFFFAOYSA-N -1 1 335.791 2.961 20 10 EFCDMM CCCN(CCC)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ncn1 ZINC001159279226 1311484814 /nfs/dbraw/zinc/48/48/14/1311484814.db2.gz MZEQWCBVIJLMNI-UHFFFAOYSA-N -1 1 344.415 2.809 20 10 EFCDMM CC1(C)OCc2c1nc(Cl)nc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001159277768 1311484827 /nfs/dbraw/zinc/48/48/27/1311484827.db2.gz ZDKBNYMOWJNCDV-UHFFFAOYSA-N -1 1 349.774 2.601 20 10 EFCDMM O=C(CNc1ccc(-c2cccs2)nn1)c1ccc([O-])c(O)c1 ZINC001159279091 1311484839 /nfs/dbraw/zinc/48/48/39/1311484839.db2.gz JXGGYGDYUMECLH-UHFFFAOYSA-N -1 1 327.365 2.911 20 10 EFCDMM O=C(CNc1ncnc2sc3c(c21)CCC3)c1ccc([O-])c(O)c1 ZINC001159279509 1311484909 /nfs/dbraw/zinc/48/49/09/1311484909.db2.gz QQTPVLRSKOEFSM-UHFFFAOYSA-N -1 1 341.392 2.886 20 10 EFCDMM O=C(CNc1ccc2ccc([N+](=O)[O-])cc2n1)c1ccc([O-])c(O)c1 ZINC001159275949 1311484913 /nfs/dbraw/zinc/48/49/13/1311484913.db2.gz BPMZEOSFKMMCRV-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM CC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229786909 1312139659 /nfs/dbraw/zinc/13/96/59/1312139659.db2.gz PKJWHNXJPOMHFY-MRVPVSSYSA-N -1 1 334.324 2.623 20 10 EFCDMM Cc1c([O-])cc2c(c1O[C@@H]1COC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001229828634 1312146437 /nfs/dbraw/zinc/14/64/37/1312146437.db2.gz BBVZCULULXWJRG-UKRRQHHQSA-N -1 1 342.322 2.592 20 10 EFCDMM C[C@@]1(c2ccc(F)cc2)CN(Cc2cc(C(=O)[O-])ccc2O)CCO1 ZINC001231565306 1312526157 /nfs/dbraw/zinc/52/61/57/1312526157.db2.gz DRQUPYSEZZRQKT-IBGZPJMESA-N -1 1 345.370 2.977 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3ccc(F)cc3F)CC2)c1 ZINC001231564952 1312526281 /nfs/dbraw/zinc/52/62/81/1312526281.db2.gz LKIYXQTWWWWEPD-UHFFFAOYSA-N -1 1 348.349 2.691 20 10 EFCDMM COC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231881669 1312579640 /nfs/dbraw/zinc/57/96/40/1312579640.db2.gz ADVSCQKDZVJKHV-MRXNPFEDSA-N -1 1 329.396 2.699 20 10 EFCDMM Nc1ccc(F)cc1S(=O)(=O)Nc1cc(F)c([O-])c(Cl)c1 ZINC001214491547 1314699078 /nfs/dbraw/zinc/69/90/78/1314699078.db2.gz BDPAAIHMNGWQBC-UHFFFAOYSA-N -1 1 334.731 2.707 20 10 EFCDMM Nc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1Cl ZINC001215571966 1314853154 /nfs/dbraw/zinc/85/31/54/1314853154.db2.gz QNOXCZQLTWQDKQ-UHFFFAOYSA-N -1 1 334.731 2.707 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC1CCC(O)CC1 ZINC001218364624 1315184792 /nfs/dbraw/zinc/18/47/92/1315184792.db2.gz JAXVRUYOFLWGMA-UHFFFAOYSA-N -1 1 344.363 2.717 20 10 EFCDMM CS(=O)(=O)N(c1ccc(N)cc1)c1c(F)ccc([O-])c1Cl ZINC001250232189 1315187488 /nfs/dbraw/zinc/18/74/88/1315187488.db2.gz CTOBXEBFUSLOLZ-UHFFFAOYSA-N -1 1 330.768 2.865 20 10 EFCDMM Cc1ncnc(C)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251394902 1315345650 /nfs/dbraw/zinc/34/56/50/1315345650.db2.gz ZUTYENOXYSSWGF-UHFFFAOYSA-N -1 1 348.211 2.907 20 10 EFCDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000315713086 1315436395 /nfs/dbraw/zinc/43/63/95/1315436395.db2.gz UJWHCANRVKLWGX-UHFFFAOYSA-N -1 1 346.723 2.894 20 10 EFCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1C1CCCC1 ZINC001256066005 1315898543 /nfs/dbraw/zinc/89/85/43/1315898543.db2.gz KEIKDPWXBCWQPT-UHFFFAOYSA-N -1 1 344.367 2.758 20 10 EFCDMM CC(C)NC(=O)N1CCC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276380017 1316054721 /nfs/dbraw/zinc/05/47/21/1316054721.db2.gz FPCAKMBLMWPHEY-UHFFFAOYSA-N -1 1 337.851 2.671 20 10 EFCDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1O ZINC001259312044 1316229235 /nfs/dbraw/zinc/22/92/35/1316229235.db2.gz MNPKWUGWUTXARJ-UHFFFAOYSA-N -1 1 327.308 2.674 20 10 EFCDMM O=S(=O)([N-]c1cc(F)c(Cl)cc1F)c1cccc2nonc21 ZINC001260442102 1316338735 /nfs/dbraw/zinc/33/87/35/1316338735.db2.gz KSDGSCIHGACZHZ-UHFFFAOYSA-N -1 1 345.714 2.955 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1F ZINC001260662650 1316356351 /nfs/dbraw/zinc/35/63/51/1316356351.db2.gz MYNVWFRXSSUJGC-UHFFFAOYSA-N -1 1 333.287 2.619 20 10 EFCDMM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(Cl)c2nonc21 ZINC001261066457 1316387503 /nfs/dbraw/zinc/38/75/03/1316387503.db2.gz XPZPHGJHBJPCFN-UHFFFAOYSA-N -1 1 345.714 2.955 20 10 EFCDMM O=S(=O)([N-]c1cc(O)ccc1F)c1ccc(Cl)c2nonc21 ZINC001261072790 1316387942 /nfs/dbraw/zinc/38/79/42/1316387942.db2.gz HDFIEMXHWZRELH-UHFFFAOYSA-N -1 1 343.723 2.522 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(C2CC2)[nH]1 ZINC001320784624 1329302132 /nfs/dbraw/zinc/30/21/32/1329302132.db2.gz UYTDMPQBBQXYBJ-UHFFFAOYSA-N -1 1 336.189 2.685 20 10 EFCDMM O=C(NC1CCN(c2cccc(F)c2)CC1)c1c([O-])c(O)ccc1F ZINC001327970609 1330536387 /nfs/dbraw/zinc/53/63/87/1330536387.db2.gz GAYUTWRVPYTCRX-UHFFFAOYSA-N -1 1 348.349 2.775 20 10 EFCDMM C[C@]1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCc2ccccc21 ZINC001329272700 1330688613 /nfs/dbraw/zinc/68/86/13/1330688613.db2.gz LJOOIUZPYJLTEJ-IBGZPJMESA-N -1 1 326.348 2.728 20 10 EFCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1F ZINC001339315460 1331840726 /nfs/dbraw/zinc/84/07/26/1331840726.db2.gz MGVVCVIEFYYWQD-SECBINFHSA-N -1 1 336.290 2.906 20 10 EFCDMM O=C([O-])[C@H](CC(F)(F)F)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001601640078 1413589134 /nfs/dbraw/zinc/58/91/34/1413589134.db2.gz IOAONGJQNPZMCC-QMMMGPOBSA-N -1 1 342.111 2.650 20 10 EFCDMM CCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367972 1428900048 /nfs/dbraw/zinc/90/00/48/1428900048.db2.gz YQFOQIGQKQFOLK-RMKNXTFCSA-N -1 1 334.383 2.636 20 10 EFCDMM c1nc(SCc2nn[n-]n2)n(C[C@@H]2CCCO2)c1-c1ccccc1 ZINC000299351376 1424840547 /nfs/dbraw/zinc/84/05/47/1424840547.db2.gz MVGAZPAJRJYTTA-ZDUSSCGKSA-N -1 1 342.428 2.535 20 10 EFCDMM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000821828401 1425156635 /nfs/dbraw/zinc/15/66/35/1425156635.db2.gz UXVYCXSODMJYET-UHFFFAOYSA-N -1 1 331.326 2.790 20 10 EFCDMM Cc1cc(C(=O)OCC(F)F)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737243603 1426683641 /nfs/dbraw/zinc/68/36/41/1426683641.db2.gz UTIMUNBWZYURCO-UHFFFAOYSA-N -1 1 347.325 2.696 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000821828552 1427486991 /nfs/dbraw/zinc/48/69/91/1427486991.db2.gz XPKDZHHNTGBITI-UHFFFAOYSA-N -1 1 331.326 2.790 20 10 EFCDMM COc1ccc(N(C)Cc2cc(F)ccc2-c2nnn[n-]2)c(OC)c1 ZINC000826209058 1427846709 /nfs/dbraw/zinc/84/67/09/1427846709.db2.gz KUZZZZZQGCPGKF-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM CN(C(=O)C=Cc1cccnc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569675 1428053080 /nfs/dbraw/zinc/05/30/80/1428053080.db2.gz RQSGXDRTBPIKLA-QPJJXVBHSA-N -1 1 340.774 2.591 20 10 EFCDMM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nccs1 ZINC000737031445 1428105319 /nfs/dbraw/zinc/10/53/19/1428105319.db2.gz DJBHCWCIXQXNOC-UHFFFAOYSA-N -1 1 335.414 2.503 20 10 EFCDMM CCN(CC)c1ccc(CNCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821198443 1429930309 /nfs/dbraw/zinc/93/03/09/1429930309.db2.gz UXKXQYWSUQSXIL-UHFFFAOYSA-N -1 1 326.404 2.596 20 10 EFCDMM CCN(CC)c1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821198443 1429930314 /nfs/dbraw/zinc/93/03/14/1429930314.db2.gz UXKXQYWSUQSXIL-UHFFFAOYSA-N -1 1 326.404 2.596 20 10 EFCDMM CN(C)c1ccc(CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821589511 1430201726 /nfs/dbraw/zinc/20/17/26/1430201726.db2.gz QSLJYQHVQFFHFV-UHFFFAOYSA-N -1 1 343.822 2.618 20 10 EFCDMM Cc1c(NCc2ccc(N(C)C)c(F)c2)cccc1-c1nnn[n-]1 ZINC000826242492 1441531932 /nfs/dbraw/zinc/53/19/32/1441531932.db2.gz RIHSHVTXDHMBTK-UHFFFAOYSA-N -1 1 326.379 2.992 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1F ZINC000826208987 1441747395 /nfs/dbraw/zinc/74/73/95/1441747395.db2.gz IUBNFPYOOBHMCZ-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM COc1ccc2c(c1)CCCN2Cc1ccc(-c2nnn[n-]2)s1 ZINC000826212811 1442432297 /nfs/dbraw/zinc/43/22/97/1442432297.db2.gz BUIDBIXIJHKHIL-UHFFFAOYSA-N -1 1 327.413 2.890 20 10 EFCDMM CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2ccc(N(C)C)cc2)c1 ZINC000824015470 1442465798 /nfs/dbraw/zinc/46/57/98/1442465798.db2.gz WOJUDAJCCBGGFK-UHFFFAOYSA-N -1 1 336.399 2.747 20 10 EFCDMM CCCN(Cc1ccccc1O)C(=O)c1sccc1-c1nn[n-]n1 ZINC000821109974 1442487221 /nfs/dbraw/zinc/48/72/21/1442487221.db2.gz VBHICYUFTODWFX-UHFFFAOYSA-N -1 1 343.412 2.686 20 10 EFCDMM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N(C)C)cc1 ZINC000820426553 1443311981 /nfs/dbraw/zinc/31/19/81/1443311981.db2.gz LOTGIOKGFPTSRV-GFCCVEGCSA-N -1 1 340.406 2.923 20 10 EFCDMM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N(C)C)cc1 ZINC000820426553 1443311985 /nfs/dbraw/zinc/31/19/85/1443311985.db2.gz LOTGIOKGFPTSRV-GFCCVEGCSA-N -1 1 340.406 2.923 20 10 EFCDMM C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1c([O-])cccc1Cl ZINC000825976163 1443766668 /nfs/dbraw/zinc/76/66/68/1443766668.db2.gz FQMGAAMASJSFNQ-UHFFFAOYSA-N -1 1 329.791 2.858 20 10 EFCDMM C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1c([O-])cccc1Cl ZINC000825976163 1443766672 /nfs/dbraw/zinc/76/66/72/1443766672.db2.gz FQMGAAMASJSFNQ-UHFFFAOYSA-N -1 1 329.791 2.858 20 10 EFCDMM Cc1ccnc(NCCCSc2nccs2)c1-c1nnn[n-]1 ZINC000826313649 1446306368 /nfs/dbraw/zinc/30/63/68/1446306368.db2.gz OKADVYUHCFITMM-UHFFFAOYSA-N -1 1 333.446 2.621 20 10 EFCDMM CCN(CC)c1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000821197361 1449795149 /nfs/dbraw/zinc/79/51/49/1449795149.db2.gz JMELALQRRNBEIZ-UHFFFAOYSA-N -1 1 341.394 2.859 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C\c1cccc(I)c1 ZINC000015230815 712915285 /nfs/dbraw/zinc/91/52/85/712915285.db2.gz KYOFFVFQSNLERJ-YVMONPNESA-N -1 1 347.202 2.780 20 10 EFCDMM CCN1C(=O)C(C)(C)N[C@H]1c1cc(C)cc(Br)c1[O-] ZINC000840838315 714655227 /nfs/dbraw/zinc/65/52/27/714655227.db2.gz OAXBKJSPQHZBNK-GFCCVEGCSA-N -1 1 327.222 2.692 20 10 EFCDMM CCOC(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177227208 718402558 /nfs/dbraw/zinc/40/25/58/718402558.db2.gz DWQMPRXAUYNQDN-UHFFFAOYSA-N -1 1 340.807 2.522 20 10 EFCDMM NC(=O)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893872948 720135338 /nfs/dbraw/zinc/13/53/38/720135338.db2.gz ZCACDIISFIJJLL-UHFFFAOYSA-N -1 1 347.640 2.505 20 10 EFCDMM CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894429643 722734193 /nfs/dbraw/zinc/73/41/93/722734193.db2.gz NOLOOMHDJRNYRD-HNNXBMFYSA-N -1 1 332.350 2.738 20 10 EFCDMM COc1ccc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916589445 727698873 /nfs/dbraw/zinc/69/88/73/727698873.db2.gz MAPNTMYXPIHGDC-WTKPLQERSA-N -1 1 328.320 2.546 20 10 EFCDMM Cc1cccc(O[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916591372 727699117 /nfs/dbraw/zinc/69/91/17/727699117.db2.gz XZHIJZVXRCOLKN-LBPRGKRZSA-N -1 1 330.336 2.600 20 10 EFCDMM O=C([O-])c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC001602323840 971180484 /nfs/dbraw/zinc/18/04/84/971180484.db2.gz GUQFPJZLYOTCOF-UHFFFAOYSA-N -1 1 341.150 2.722 20 10 EFCDMM C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CC[C@@H]1C(=O)[O-] ZINC000691422296 954684540 /nfs/dbraw/zinc/68/45/40/954684540.db2.gz NFFNAKLWXNPTPB-SKDRFNHKSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CC[C@@H]1C(=O)[O-] ZINC000691422296 954684546 /nfs/dbraw/zinc/68/45/46/954684546.db2.gz NFFNAKLWXNPTPB-SKDRFNHKSA-N -1 1 328.206 2.697 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C)c2)c1[O-] ZINC001588528039 958877664 /nfs/dbraw/zinc/87/76/64/958877664.db2.gz MVVBHOIAFXCLFU-INIZCTEOSA-N -1 1 331.343 2.958 20 10 EFCDMM O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000236443960 960610010 /nfs/dbraw/zinc/61/00/10/960610010.db2.gz MPFZFAHXCLVRDI-LBPRGKRZSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000236443960 960610026 /nfs/dbraw/zinc/61/00/26/960610026.db2.gz MPFZFAHXCLVRDI-LBPRGKRZSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000236446682 960613419 /nfs/dbraw/zinc/61/34/19/960613419.db2.gz GPJWUXPAPWQHKR-LQJRIPTKSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000236446682 960613427 /nfs/dbraw/zinc/61/34/27/960613427.db2.gz GPJWUXPAPWQHKR-LQJRIPTKSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708073164 969032558 /nfs/dbraw/zinc/03/25/58/969032558.db2.gz YXAMJXIDUMZOBI-ZETCQYMHSA-N -1 1 334.597 2.715 20 10 EFCDMM Cc1cc(Br)c([O-])c(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC001605104236 972766631 /nfs/dbraw/zinc/76/66/31/972766631.db2.gz SUDRYERFMCPKAE-VIFPVBQESA-N -1 1 328.206 2.901 20 10 EFCDMM CC[C@@H]([NH2+]CC1(C(=O)[O-])CCOCC1)c1cc(Cl)ccc1[O-] ZINC001603585616 973751850 /nfs/dbraw/zinc/75/18/50/973751850.db2.gz JLBKIOJMIKWCBS-CYBMUJFWSA-N -1 1 327.808 2.968 20 10 EFCDMM COc1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000843040891 979330416 /nfs/dbraw/zinc/33/04/16/979330416.db2.gz LFCCORZIEUOBKU-UHFFFAOYSA-N -1 1 343.807 2.510 20 10 EFCDMM COc1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000843040891 979330424 /nfs/dbraw/zinc/33/04/24/979330424.db2.gz LFCCORZIEUOBKU-UHFFFAOYSA-N -1 1 343.807 2.510 20 10 EFCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1C1CC1 ZINC000904430921 981085191 /nfs/dbraw/zinc/08/51/91/981085191.db2.gz ULPVCXBDOQONJW-NWDGAFQWSA-N -1 1 340.217 2.697 20 10 EFCDMM CCOCCC[N@@H+](Cc1ccc(Cl)cc1[O-])C[C@H](C)C(=O)[O-] ZINC001596915204 985940937 /nfs/dbraw/zinc/94/09/37/985940937.db2.gz URTZLYQWVAKWAJ-LBPRGKRZSA-N -1 1 329.824 2.995 20 10 EFCDMM CCOCCC[N@H+](Cc1ccc(Cl)cc1[O-])C[C@H](C)C(=O)[O-] ZINC001596915204 985940949 /nfs/dbraw/zinc/94/09/49/985940949.db2.gz URTZLYQWVAKWAJ-LBPRGKRZSA-N -1 1 329.824 2.995 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC001589270578 985962736 /nfs/dbraw/zinc/96/27/36/985962736.db2.gz CMJPLIYHAZFRCB-GOSISDBHSA-N -1 1 331.343 2.824 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CC(=O)[O-])c2ccccn2)c1[O-] ZINC001589271270 985971886 /nfs/dbraw/zinc/97/18/86/985971886.db2.gz WDMPOCAURNSUEF-SFHVURJKSA-N -1 1 346.358 2.609 20 10 EFCDMM CC(C)CC[C@H](O)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001591222683 992093745 /nfs/dbraw/zinc/09/37/45/992093745.db2.gz UOYZAIFEOMLYMH-AWEZNQCLSA-N -1 1 329.824 2.729 20 10 EFCDMM CC(C)CC[C@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001591222683 992093754 /nfs/dbraw/zinc/09/37/54/992093754.db2.gz UOYZAIFEOMLYMH-AWEZNQCLSA-N -1 1 329.824 2.729 20 10 EFCDMM CC(C)CC[C@H](O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001591222683 992093762 /nfs/dbraw/zinc/09/37/62/992093762.db2.gz UOYZAIFEOMLYMH-AWEZNQCLSA-N -1 1 329.824 2.729 20 10 EFCDMM C[C@H]([NH2+][C@H]1CC=C(C(=O)[O-])C1)c1cc(Br)ccc1[O-] ZINC001593219141 994296444 /nfs/dbraw/zinc/29/64/44/994296444.db2.gz KCOMFBZYBWPBIY-KWQFWETISA-N -1 1 326.190 2.979 20 10 EFCDMM C[C@@H]([NH2+][C@@H]1CC=C(C(=O)[O-])C1)c1cc(Br)ccc1[O-] ZINC001593219142 994296982 /nfs/dbraw/zinc/29/69/82/994296982.db2.gz KCOMFBZYBWPBIY-LDYMZIIASA-N -1 1 326.190 2.979 20 10 EFCDMM CO[C@]1(C(=O)[O-])CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC001599079729 996971727 /nfs/dbraw/zinc/97/17/27/996971727.db2.gz YBKGEQZXXSTXAD-LJQANCHMSA-N -1 1 341.363 2.967 20 10 EFCDMM CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC001599079729 996971739 /nfs/dbraw/zinc/97/17/39/996971739.db2.gz YBKGEQZXXSTXAD-LJQANCHMSA-N -1 1 341.363 2.967 20 10 EFCDMM C[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@H](C(=O)[O-])C1 ZINC001594422685 999575592 /nfs/dbraw/zinc/57/55/92/999575592.db2.gz HMQJKSDSJUMRNA-CABZTGNLSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@H](C(=O)[O-])C1 ZINC001594422685 999575593 /nfs/dbraw/zinc/57/55/93/999575593.db2.gz HMQJKSDSJUMRNA-CABZTGNLSA-N -1 1 328.206 2.840 20 10 EFCDMM Nc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1Cl ZINC001213379345 1093294325 /nfs/dbraw/zinc/29/43/25/1093294325.db2.gz QIKMNPUSALGOJI-UHFFFAOYSA-N -1 1 334.731 2.707 20 10 EFCDMM CCCN(Cc1ccccc1O)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590632942 1093525887 /nfs/dbraw/zinc/52/58/87/1093525887.db2.gz XNPRYWGVIUSBHN-UHFFFAOYSA-N -1 1 341.371 2.526 20 10 EFCDMM CCCN(Cc1ccccc1O)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590632942 1093525894 /nfs/dbraw/zinc/52/58/94/1093525894.db2.gz XNPRYWGVIUSBHN-UHFFFAOYSA-N -1 1 341.371 2.526 20 10 EFCDMM COc1ccc(N(Cc2ccnc(-c3nnn[n-]3)c2)CC2CC2)cc1 ZINC001591608571 1093793470 /nfs/dbraw/zinc/79/34/70/1093793470.db2.gz QRTQBQHODWDEFI-UHFFFAOYSA-N -1 1 336.399 2.687 20 10 EFCDMM COc1ccc(N(Cc2ccnc(-c3nn[n-]n3)c2)CC2CC2)cc1 ZINC001591608571 1093793476 /nfs/dbraw/zinc/79/34/76/1093793476.db2.gz QRTQBQHODWDEFI-UHFFFAOYSA-N -1 1 336.399 2.687 20 10 EFCDMM C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1O ZINC001591770676 1093854223 /nfs/dbraw/zinc/85/42/23/1093854223.db2.gz FYGYLDJKLOHCNX-ZETCQYMHSA-N -1 1 332.345 2.715 20 10 EFCDMM C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1O ZINC001591770676 1093854228 /nfs/dbraw/zinc/85/42/28/1093854228.db2.gz FYGYLDJKLOHCNX-ZETCQYMHSA-N -1 1 332.345 2.715 20 10 EFCDMM Cc1cc(NCc2ccc(N3CCCC3)cc2)nc(-c2nnn[n-]2)c1 ZINC001592052511 1093967515 /nfs/dbraw/zinc/96/75/15/1093967515.db2.gz ONHIBAZUDRIXLW-UHFFFAOYSA-N -1 1 335.415 2.782 20 10 EFCDMM Cc1cc(NCc2ccc(N3CCCC3)cc2)nc(-c2nn[n-]n2)c1 ZINC001592052511 1093967519 /nfs/dbraw/zinc/96/75/19/1093967519.db2.gz ONHIBAZUDRIXLW-UHFFFAOYSA-N -1 1 335.415 2.782 20 10 EFCDMM Cc1cc([O-])c(C[NH2+]CCc2ncc(C(=O)[O-])s2)c(Cl)c1 ZINC001600285411 1094944654 /nfs/dbraw/zinc/94/46/54/1094944654.db2.gz BIJSWDJKHSNJKP-UHFFFAOYSA-N -1 1 326.805 2.841 20 10 EFCDMM Cc1ccc2nc(CN[C@H](C)c3cc(C(=O)[O-])ccc3O)cn2c1 ZINC001600504133 1095117864 /nfs/dbraw/zinc/11/78/64/1095117864.db2.gz VHNBWJRHARMCTO-GFCCVEGCSA-N -1 1 325.368 2.897 20 10 EFCDMM Cc1cccc(OCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C ZINC000782697793 1095473778 /nfs/dbraw/zinc/47/37/78/1095473778.db2.gz MYOCUKMQFMFZAV-UHFFFAOYSA-N -1 1 344.363 2.910 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC001602057708 1096044894 /nfs/dbraw/zinc/04/48/94/1096044894.db2.gz TYEKZJGTWVSLIC-UHFFFAOYSA-N -1 1 334.199 2.765 20 10 EFCDMM O=C([O-])c1cccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC001602436698 1096244339 /nfs/dbraw/zinc/24/43/39/1096244339.db2.gz IQJGCKZALRQCSX-INIZCTEOSA-N -1 1 342.395 2.667 20 10 EFCDMM O=C([O-])c1cnc([C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)s1 ZINC001602518046 1096279423 /nfs/dbraw/zinc/27/94/23/1096279423.db2.gz CDEMAKCARLPXQA-QMMMGPOBSA-N -1 1 340.351 2.815 20 10 EFCDMM C[C@H](C1CC1)n1cc(N[C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])cn1 ZINC001603685871 1096589187 /nfs/dbraw/zinc/58/91/87/1096589187.db2.gz KVRFKSWDWXMSGX-WDEREUQCSA-N -1 1 339.403 2.913 20 10 EFCDMM COc1ccc(O)c(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC001605302691 1097089539 /nfs/dbraw/zinc/08/95/39/1097089539.db2.gz GHESFLGVJNTZRZ-UHFFFAOYSA-N -1 1 348.366 2.741 20 10 EFCDMM COc1ccc(O)c(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC001605302691 1097089542 /nfs/dbraw/zinc/08/95/42/1097089542.db2.gz GHESFLGVJNTZRZ-UHFFFAOYSA-N -1 1 348.366 2.741 20 10 EFCDMM CCOC1CC(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001605598853 1097166924 /nfs/dbraw/zinc/16/69/24/1097166924.db2.gz PDGQJNNLYZWIBU-UHFFFAOYSA-N -1 1 327.808 2.747 20 10 EFCDMM CCOC1CC(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001605598853 1097166928 /nfs/dbraw/zinc/16/69/28/1097166928.db2.gz PDGQJNNLYZWIBU-UHFFFAOYSA-N -1 1 327.808 2.747 20 10 EFCDMM CN(C)c1cc(F)c(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1F ZINC001606049742 1097306494 /nfs/dbraw/zinc/30/64/94/1097306494.db2.gz DSTBAQIDDOWLEA-SFHVURJKSA-N -1 1 349.381 2.906 20 10 EFCDMM CN(C)c1cc(F)c(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1F ZINC001606049741 1097306905 /nfs/dbraw/zinc/30/69/05/1097306905.db2.gz DSTBAQIDDOWLEA-GOSISDBHSA-N -1 1 349.381 2.906 20 10 EFCDMM CO[C@@H]1CCC[C@H]([C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])C1 ZINC001606739398 1097449052 /nfs/dbraw/zinc/44/90/52/1097449052.db2.gz JGHLPLONUVWWAG-ZBINZKHDSA-N -1 1 327.808 2.794 20 10 EFCDMM Cc1[nH]c(C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1C(=O)[O-] ZINC001607486528 1097638338 /nfs/dbraw/zinc/63/83/38/1097638338.db2.gz JBAYLELQPIIMAZ-LBPRGKRZSA-N -1 1 343.427 2.929 20 10 EFCDMM CC(C)Oc1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783514312 1100629649 /nfs/dbraw/zinc/62/96/49/1100629649.db2.gz VGHSGOSUXXNOLN-UHFFFAOYSA-N -1 1 330.336 2.925 20 10 EFCDMM COC(=O)c1ccc([O-])c([C@H]2NC(C)(C)C(=O)N2c2ccccc2)c1 ZINC000840824461 1101757964 /nfs/dbraw/zinc/75/79/64/1101757964.db2.gz JLEYEVZHGONBKS-INIZCTEOSA-N -1 1 340.379 2.592 20 10 EFCDMM C[C@]1(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1(Cl)Cl ZINC000838160426 1104228150 /nfs/dbraw/zinc/22/81/50/1104228150.db2.gz QRXQTPBJBGMWFM-ZDUSSCGKSA-N -1 1 333.167 2.798 20 10 EFCDMM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc([O-])c(O)c1 ZINC000783859664 1106420625 /nfs/dbraw/zinc/42/06/25/1106420625.db2.gz USMZNDBKPYQGRO-NEPJUHHUSA-N -1 1 348.301 2.906 20 10 EFCDMM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784313636 1108145050 /nfs/dbraw/zinc/14/50/50/1108145050.db2.gz NQBBYORLGVCWGC-NWDGAFQWSA-N -1 1 332.377 2.997 20 10 EFCDMM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](F)[C@@H](O)CC1 ZINC001235299558 1111729968 /nfs/dbraw/zinc/72/99/68/1111729968.db2.gz VTNWGMQILXDHQE-NEPJUHHUSA-N -1 1 336.176 2.589 20 10 EFCDMM COC(=O)N1CCCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237078404 1118604116 /nfs/dbraw/zinc/60/41/16/1118604116.db2.gz RXSVDSDARLRRPE-UHFFFAOYSA-N -1 1 333.215 2.973 20 10 EFCDMM CCc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000055107474 214273641 /nfs/dbraw/zinc/27/36/41/214273641.db2.gz MAURFMUYZLSCSL-UHFFFAOYSA-N -1 1 334.397 2.578 20 10 EFCDMM CC1=C(C(=O)NCc2cccc(Br)c2[O-])SCCO1 ZINC000288436674 241011644 /nfs/dbraw/zinc/01/16/44/241011644.db2.gz NCFCQHFWGTXKAW-UHFFFAOYSA-N -1 1 344.230 2.766 20 10 EFCDMM C[C@@]12CCN(C(=O)c3c([O-])c(O)ccc3F)C[C@@H]1C2(Cl)Cl ZINC000295917123 241068181 /nfs/dbraw/zinc/06/81/81/241068181.db2.gz HSOYKCCLQHTAEN-TVQRCGJNSA-N -1 1 334.174 2.893 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000295633706 241059883 /nfs/dbraw/zinc/05/98/83/241059883.db2.gz CAJVEAGSJYANON-CYBMUJFWSA-N -1 1 342.370 2.514 20 10 EFCDMM CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](O)C(F)(F)F ZINC000189869897 285095144 /nfs/dbraw/zinc/09/51/44/285095144.db2.gz DMQJLPNFCUBJIZ-SNVBAGLBSA-N -1 1 342.701 2.699 20 10 EFCDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000274799531 473964201 /nfs/dbraw/zinc/96/42/01/473964201.db2.gz OCDDISKNLBPQAZ-UHFFFAOYSA-N -1 1 339.369 2.718 20 10 EFCDMM CCCCN(Cc1ccccc1O)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000282369313 474038848 /nfs/dbraw/zinc/03/88/48/474038848.db2.gz BZNUOHOULLBCSO-UHFFFAOYSA-N -1 1 345.355 2.844 20 10 EFCDMM CCCOc1ccc(C[N@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c(O)c1 ZINC000289209969 474185233 /nfs/dbraw/zinc/18/52/33/474185233.db2.gz BXUKXTXYTHNMBQ-UMLSUDCWSA-N -1 1 325.474 2.912 20 10 EFCDMM CC(C)NC(=O)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000182960471 474295467 /nfs/dbraw/zinc/29/54/67/474295467.db2.gz FQJGDAIRYSQKFK-UHFFFAOYSA-N -1 1 342.439 2.928 20 10 EFCDMM Cc1cccc(N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)c1 ZINC000276478118 474559016 /nfs/dbraw/zinc/55/90/16/474559016.db2.gz DNRZADIDTRLZAJ-UHFFFAOYSA-N -1 1 330.359 2.508 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])OC1CCOCC1 ZINC000290162146 474560501 /nfs/dbraw/zinc/56/05/01/474560501.db2.gz OUQITUXXKDOQRU-UHFFFAOYSA-N -1 1 330.178 2.560 20 10 EFCDMM C[C@H](O)C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000276515269 474564616 /nfs/dbraw/zinc/56/46/16/474564616.db2.gz BQPCBCWMOIHHJT-WCQYABFASA-N -1 1 333.359 2.521 20 10 EFCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OCC)cc1 ZINC000276937994 474574563 /nfs/dbraw/zinc/57/45/63/474574563.db2.gz RSOHXXRWWUVKGT-UHFFFAOYSA-N -1 1 337.397 2.990 20 10 EFCDMM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000277162115 474579949 /nfs/dbraw/zinc/57/99/49/474579949.db2.gz AGUBPAFRTWOCSM-UHFFFAOYSA-N -1 1 349.408 2.915 20 10 EFCDMM O=C1N[C@H](c2cc(Cl)c3ccccc3c2[O-])N2CCSC[C@@H]12 ZINC000271581441 474582276 /nfs/dbraw/zinc/58/22/76/474582276.db2.gz CFNUNSXVFHBZDD-ZFWWWQNUSA-N -1 1 334.828 2.745 20 10 EFCDMM COCc1nsc(NCc2cccc(Br)c2[O-])n1 ZINC000277429921 474584810 /nfs/dbraw/zinc/58/48/10/474584810.db2.gz MGYYUSZDELCWDG-UHFFFAOYSA-N -1 1 330.207 2.765 20 10 EFCDMM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277475240 474587244 /nfs/dbraw/zinc/58/72/44/474587244.db2.gz PDUPVJJVWJKPCE-MWLCHTKSSA-N -1 1 343.221 2.521 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1C1CC1 ZINC000277539278 474588220 /nfs/dbraw/zinc/58/82/20/474588220.db2.gz NEQHHPSXKRSDJD-UHFFFAOYSA-N -1 1 336.189 2.685 20 10 EFCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1c(F)ccc(O)c1[O-] ZINC000279246097 474966336 /nfs/dbraw/zinc/96/63/36/474966336.db2.gz SIGYYBKIVTZDKS-UHFFFAOYSA-N -1 1 330.359 2.767 20 10 EFCDMM COc1cc(Cl)cc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280465604 475027301 /nfs/dbraw/zinc/02/73/01/475027301.db2.gz MSANDCGRQDXZQU-LBPRGKRZSA-N -1 1 341.835 2.824 20 10 EFCDMM COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280468051 475027595 /nfs/dbraw/zinc/02/75/95/475027595.db2.gz MWCOMKGABZNXCW-PRXAMGSTSA-N -1 1 341.835 2.823 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000280499739 475028886 /nfs/dbraw/zinc/02/88/86/475028886.db2.gz QSALKROEIJYQBA-SJCJKPOMSA-N -1 1 339.819 2.628 20 10 EFCDMM COCC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000286970587 475088194 /nfs/dbraw/zinc/08/81/94/475088194.db2.gz GVKCFYPIWYQAIT-UHFFFAOYSA-N -1 1 328.206 2.588 20 10 EFCDMM O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1c([O-])c(O)ccc1F ZINC000295029294 475098301 /nfs/dbraw/zinc/09/83/01/475098301.db2.gz IEYVHZKLNHAVST-GFCCVEGCSA-N -1 1 330.359 2.636 20 10 EFCDMM C[C@]12CCN(C(=O)c3c([O-])c(O)ccc3F)C[C@H]1C2(Cl)Cl ZINC000295917117 475134239 /nfs/dbraw/zinc/13/42/39/475134239.db2.gz HSOYKCCLQHTAEN-RNCFNFMXSA-N -1 1 334.174 2.893 20 10 EFCDMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000529173359 479073260 /nfs/dbraw/zinc/07/32/60/479073260.db2.gz SVRHKYQCWKTNIU-QISWUMQESA-N -1 1 342.233 2.830 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(CCCO)CC(F)(F)F)c1[O-] ZINC000177277729 527207557 /nfs/dbraw/zinc/20/75/57/527207557.db2.gz HFAFWSHCNOKBEH-UHFFFAOYSA-N -1 1 339.741 2.995 20 10 EFCDMM C[C@H](NCc1nncn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756400344 575731082 /nfs/dbraw/zinc/73/10/82/575731082.db2.gz JZGGUNCONSUTGF-ZETCQYMHSA-N -1 1 345.628 2.787 20 10 EFCDMM CCn1cnnc1CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756419439 575735377 /nfs/dbraw/zinc/73/53/77/575735377.db2.gz FLJAHDROAZHNCX-QMMMGPOBSA-N -1 1 343.200 2.756 20 10 EFCDMM CCn1cnnc1CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756420197 575735753 /nfs/dbraw/zinc/73/57/53/575735753.db2.gz HNSHSBYXNRNYCV-MRVPVSSYSA-N -1 1 343.200 2.756 20 10 EFCDMM C[C@@H](N[C@@H](C)c1nncn1C)c1cc(Br)c(F)cc1[O-] ZINC000756531758 575756050 /nfs/dbraw/zinc/75/60/50/575756050.db2.gz BZUOQCUWMDFWPL-SFYZADRCSA-N -1 1 343.200 2.834 20 10 EFCDMM COc1ccccc1[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756713149 575779783 /nfs/dbraw/zinc/77/97/83/575779783.db2.gz VENSCJVSEHZSHU-ABAIWWIYSA-N -1 1 332.356 2.693 20 10 EFCDMM COc1ccccc1[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756713150 575779947 /nfs/dbraw/zinc/77/99/47/575779947.db2.gz VENSCJVSEHZSHU-IAQYHMDHSA-N -1 1 332.356 2.693 20 10 EFCDMM C[C@H](Nc1cnn(CCO)c1)c1cc(Br)cc(F)c1[O-] ZINC000756856472 575793747 /nfs/dbraw/zinc/79/37/47/575793747.db2.gz QJACGONLLIXSBC-QMMMGPOBSA-N -1 1 344.184 2.656 20 10 EFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000758775167 575877314 /nfs/dbraw/zinc/87/73/14/575877314.db2.gz SIULUONGQUIAND-UHFFFAOYSA-N -1 1 331.393 2.884 20 10 EFCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])no1 ZINC000765213017 577019437 /nfs/dbraw/zinc/01/94/37/577019437.db2.gz XLWWIYLFYZTTLA-UHFFFAOYSA-N -1 1 326.150 2.773 20 10 EFCDMM CCn1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765214010 577019480 /nfs/dbraw/zinc/01/94/80/577019480.db2.gz MAFXEZVUYQRWKS-UHFFFAOYSA-N -1 1 339.193 2.693 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cn2ccccc2n1 ZINC000765737158 577071485 /nfs/dbraw/zinc/07/14/85/577071485.db2.gz RCNQYCSVAVQZIO-UHFFFAOYSA-N -1 1 346.184 2.732 20 10 EFCDMM O=C(Cc1ccccc1O)NCc1cccc(Br)c1[O-] ZINC000765753085 577072890 /nfs/dbraw/zinc/07/28/90/577072890.db2.gz NHXYXYNVFTWMTD-UHFFFAOYSA-N -1 1 336.185 2.719 20 10 EFCDMM CC(C)CO[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765766143 577073970 /nfs/dbraw/zinc/07/39/70/577073970.db2.gz VJCLVMWYRJNAFL-SNVBAGLBSA-N -1 1 330.222 2.832 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Br)cc1[N+](=O)[O-] ZINC000767703220 577228883 /nfs/dbraw/zinc/22/88/83/577228883.db2.gz AJJWWRFLYZCPNG-BAQGIRSFSA-N -1 1 345.199 2.846 20 10 EFCDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1C ZINC000769710480 577380365 /nfs/dbraw/zinc/38/03/65/577380365.db2.gz VWFYTJPELQUINV-UHFFFAOYSA-N -1 1 348.424 2.739 20 10 EFCDMM Cc1[nH]c(C(=O)[C@@H](C)N(C)Cc2ccccc2O)c(C)c1C(=O)[O-] ZINC000738230360 600143148 /nfs/dbraw/zinc/14/31/48/600143148.db2.gz QEFMQCZFMZBCOH-GFCCVEGCSA-N -1 1 330.384 2.739 20 10 EFCDMM Cc1ncsc1CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738892297 600431751 /nfs/dbraw/zinc/43/17/51/600431751.db2.gz IMVROHUBHUOZEM-UHFFFAOYSA-N -1 1 340.832 2.940 20 10 EFCDMM Cc1ncsc1CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738892297 600431753 /nfs/dbraw/zinc/43/17/53/600431753.db2.gz IMVROHUBHUOZEM-UHFFFAOYSA-N -1 1 340.832 2.940 20 10 EFCDMM O=C([O-])C[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000833220274 601376477 /nfs/dbraw/zinc/37/64/77/601376477.db2.gz XXPQCKIOZHRKQL-CYBMUJFWSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000833220274 601376479 /nfs/dbraw/zinc/37/64/79/601376479.db2.gz XXPQCKIOZHRKQL-CYBMUJFWSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000833220274 601376480 /nfs/dbraw/zinc/37/64/80/601376480.db2.gz XXPQCKIOZHRKQL-CYBMUJFWSA-N -1 1 341.363 2.967 20 10 EFCDMM CN(C)c1ccc(CN(C)Cn2nc(C(=O)[O-])c3ccccc32)cc1 ZINC000830831243 601397341 /nfs/dbraw/zinc/39/73/41/601397341.db2.gz VNTLBCYNJUIUMY-UHFFFAOYSA-N -1 1 338.411 2.890 20 10 EFCDMM O=C([O-])CC[N@H+](Cc1ccncc1)Cc1c([O-])ccc2ccncc21 ZINC000833234308 601559833 /nfs/dbraw/zinc/55/98/33/601559833.db2.gz NMQGOKSWCQUILJ-UHFFFAOYSA-N -1 1 337.379 2.812 20 10 EFCDMM O=C([O-])CC[N@@H+](Cc1ccncc1)Cc1c([O-])ccc2ccncc21 ZINC000833234308 601559834 /nfs/dbraw/zinc/55/98/34/601559834.db2.gz NMQGOKSWCQUILJ-UHFFFAOYSA-N -1 1 337.379 2.812 20 10 EFCDMM CSc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000731001392 1264510546 /nfs/dbraw/zinc/51/05/46/1264510546.db2.gz ZAFSJRAXTGMBBL-MDWZMJQESA-N -1 1 349.481 2.604 20 10 EFCDMM [O-]c1c(F)cc(Br)cc1CNc1nncn1C1CC1 ZINC000922654095 1266522105 /nfs/dbraw/zinc/52/21/05/1266522105.db2.gz DIPLJXZZOUPNCJ-UHFFFAOYSA-N -1 1 327.157 2.832 20 10 EFCDMM COc1cc(C=C2SC(=S)[N-]C2=O)c(SC)cc1OC ZINC000741165268 1269364891 /nfs/dbraw/zinc/36/48/91/1269364891.db2.gz IQFVSVSHQZPPDA-VZUCSPMQSA-N -1 1 327.452 2.915 20 10 EFCDMM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000742443024 1270054600 /nfs/dbraw/zinc/05/46/00/1270054600.db2.gz UGWUDLCPEGORAA-INIZCTEOSA-N -1 1 346.427 2.722 20 10 EFCDMM CN(c1ccc(Cl)c([O-])c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001212591492 1273007829 /nfs/dbraw/zinc/00/78/29/1273007829.db2.gz PJKHLAXVBDULON-UHFFFAOYSA-N -1 1 326.805 2.594 20 10 EFCDMM O=C(CNc1ncnc2cccc(Cl)c21)c1ccc([O-])c(O)c1 ZINC001170317044 1279011124 /nfs/dbraw/zinc/01/11/24/1279011124.db2.gz WQZXGUCHUVTBMK-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM Cc1c(Cl)nc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170313699 1279007953 /nfs/dbraw/zinc/00/79/53/1279007953.db2.gz CCKLCKBIKRVLOP-UHFFFAOYSA-N -1 1 328.155 2.798 20 10 EFCDMM CC(C)c1nc2[nH]ccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170315855 1279009031 /nfs/dbraw/zinc/00/90/31/1279009031.db2.gz IBFOOSGZYBCRFF-UHFFFAOYSA-N -1 1 326.356 2.787 20 10 EFCDMM CCOc1cc([N+](=O)[O-])ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314928 1279009155 /nfs/dbraw/zinc/00/91/55/1279009155.db2.gz LIQMSSFGCMTKRA-UHFFFAOYSA-N -1 1 332.312 2.700 20 10 EFCDMM O=C(CNc1nc(Cl)nc(C2CCCC2)n1)c1ccc([O-])c(O)c1 ZINC001170316109 1279009285 /nfs/dbraw/zinc/00/92/85/1279009285.db2.gz LZSCVHJTJKQROQ-UHFFFAOYSA-N -1 1 348.790 2.889 20 10 EFCDMM COC(=O)C(C)(C)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170315409 1279009389 /nfs/dbraw/zinc/00/93/89/1279009389.db2.gz XNPHDWCXQRPWDM-UHFFFAOYSA-N -1 1 343.379 2.843 20 10 EFCDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)ccc1Br ZINC001170315549 1279009878 /nfs/dbraw/zinc/00/98/78/1279009878.db2.gz ZXBCUJDGTRCIDR-UHFFFAOYSA-N -1 1 337.173 2.859 20 10 EFCDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)cc2[nH]ccc21 ZINC001170315013 1279009956 /nfs/dbraw/zinc/00/99/56/1279009956.db2.gz PBCSZRQKMJZEML-UHFFFAOYSA-N -1 1 340.335 2.661 20 10 EFCDMM O=C(CNc1ccnc(CCc2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC001170315892 1279010403 /nfs/dbraw/zinc/01/04/03/1279010403.db2.gz IVTCCNCQQNUUPS-UHFFFAOYSA-N -1 1 349.390 2.968 20 10 EFCDMM COc1ccc2c(C)nc(NCC(=O)c3ccc([O-])c(O)c3)nc2c1 ZINC001170316542 1279010766 /nfs/dbraw/zinc/01/07/66/1279010766.db2.gz IFAIGHQQYLPJJP-UHFFFAOYSA-N -1 1 339.351 2.653 20 10 EFCDMM O=C(CNc1cccc2c1CCC21OCCO1)c1ccc([O-])c(O)c1 ZINC001170320761 1279013820 /nfs/dbraw/zinc/01/38/20/1279013820.db2.gz MNZNWFKGQUWXBP-UHFFFAOYSA-N -1 1 341.363 2.538 20 10 EFCDMM O=C(CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC001170322316 1279014722 /nfs/dbraw/zinc/01/47/22/1279014722.db2.gz KADFXNNJIPNMTF-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM CC1(c2cccc(NCC(=O)c3ccc([O-])c(O)c3)c2)OCCO1 ZINC001170323304 1279014793 /nfs/dbraw/zinc/01/47/93/1279014793.db2.gz WFRCKCUAWFOZKL-UHFFFAOYSA-N -1 1 329.352 2.612 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817874744 1276355621 /nfs/dbraw/zinc/35/56/21/1276355621.db2.gz PZNDFDDJALFTBB-CABZTGNLSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817874744 1276355625 /nfs/dbraw/zinc/35/56/25/1276355625.db2.gz PZNDFDDJALFTBB-CABZTGNLSA-N -1 1 325.792 2.791 20 10 EFCDMM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc(O)c1[O-] ZINC000187047707 1276400652 /nfs/dbraw/zinc/40/06/52/1276400652.db2.gz HFLCSRQXAYBYMZ-UHFFFAOYSA-N -1 1 340.295 2.648 20 10 EFCDMM Cc1cccc(NC(=O)CN(C)C(=O)c2c(F)ccc(O)c2[O-])c1C ZINC000789954503 1277114982 /nfs/dbraw/zinc/11/49/82/1277114982.db2.gz KNRKKXCSCLBILV-UHFFFAOYSA-N -1 1 346.358 2.564 20 10 EFCDMM O=C(NCc1ccc(Br)s1)c1c(F)ccc(O)c1[O-] ZINC000789953991 1277115092 /nfs/dbraw/zinc/11/50/92/1277115092.db2.gz DASUBHZUBBEADN-UHFFFAOYSA-N -1 1 346.177 2.991 20 10 EFCDMM CCn1c(CCNC(=O)c2c(F)ccc(O)c2[O-])nc2ccccc21 ZINC000789975091 1277139101 /nfs/dbraw/zinc/13/91/01/1277139101.db2.gz QDYYDJUDVKJXQA-UHFFFAOYSA-N -1 1 343.358 2.579 20 10 EFCDMM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789977661 1277139107 /nfs/dbraw/zinc/13/91/07/1277139107.db2.gz WSPXLULUIIUNPA-ZUZCIYMTSA-N -1 1 325.380 2.808 20 10 EFCDMM O=C(NCc1ccccc1OCC1CC1)c1c(F)ccc(O)c1[O-] ZINC000789984588 1277146749 /nfs/dbraw/zinc/14/67/49/1277146749.db2.gz TVRHNTRJXDMOKF-UHFFFAOYSA-N -1 1 331.343 2.956 20 10 EFCDMM COc1cc(Cl)ccc1CNC(=O)c1c([O-])c(O)ccc1F ZINC000789972381 1277166823 /nfs/dbraw/zinc/16/68/23/1277166823.db2.gz FBGGVKYWRCOTIT-UHFFFAOYSA-N -1 1 325.723 2.829 20 10 EFCDMM O=C(CNC(F)(F)c1ccc(F)c(Cl)n1)c1ccc([O-])c(O)c1 ZINC001159277788 1287294511 /nfs/dbraw/zinc/29/45/11/1287294511.db2.gz ZXGHPRFJICOPMJ-UHFFFAOYSA-N -1 1 346.692 2.807 20 10 EFCDMM O=C1CNC(=O)N1c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790952977 1277875711 /nfs/dbraw/zinc/87/57/11/1277875711.db2.gz MAGGHFIMEKFMIN-UHFFFAOYSA-N -1 1 349.749 2.853 20 10 EFCDMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1-n1cnnn1 ZINC000790980489 1277910695 /nfs/dbraw/zinc/91/06/95/1277910695.db2.gz GLIQTVVSWFUIRC-UHFFFAOYSA-N -1 1 349.753 2.781 20 10 EFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000792702666 1279128498 /nfs/dbraw/zinc/12/84/98/1279128498.db2.gz CQFFFSVMIZYKFC-UHFFFAOYSA-N -1 1 337.422 2.945 20 10 EFCDMM [O-]c1cc(F)c(Br)cc1CN1CC2(C1)CCOCC2 ZINC001144299786 1279388467 /nfs/dbraw/zinc/38/84/67/1279388467.db2.gz IGJRJHJXHMLXRE-UHFFFAOYSA-N -1 1 330.197 2.906 20 10 EFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H]1c1ccsc1)cc2=O ZINC000846238928 1280082492 /nfs/dbraw/zinc/08/24/92/1280082492.db2.gz OADRFDQBBZEGOA-ZDUSSCGKSA-N -1 1 344.396 2.532 20 10 EFCDMM COc1ccc(N(C)CCN(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000846442102 1280154502 /nfs/dbraw/zinc/15/45/02/1280154502.db2.gz JMVGVAWDSWZBNM-UHFFFAOYSA-N -1 1 332.375 2.748 20 10 EFCDMM [O-]c1c(Br)cccc1CNc1nncn1-c1cccnc1 ZINC000806669775 1281123766 /nfs/dbraw/zinc/12/37/66/1281123766.db2.gz HGTSIYDLZJKLLR-UHFFFAOYSA-N -1 1 346.188 2.743 20 10 EFCDMM Cc1ccc2nc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)sc2c1 ZINC001147562588 1281204731 /nfs/dbraw/zinc/20/47/31/1281204731.db2.gz IBLQTTJLCLBWHR-UHFFFAOYSA-N -1 1 342.376 2.629 20 10 EFCDMM CC1(C)COc2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc21 ZINC000811336618 1284244127 /nfs/dbraw/zinc/24/41/27/1284244127.db2.gz SBJOMNLSEAVCLY-UHFFFAOYSA-N -1 1 342.347 2.808 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NOC/C=C\Cl ZINC000811980293 1284770362 /nfs/dbraw/zinc/77/03/62/1284770362.db2.gz NBWSMZXSMOVRNB-DJWKRKHSSA-N -1 1 335.585 2.638 20 10 EFCDMM Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)cc1 ZINC001176340692 1287944200 /nfs/dbraw/zinc/94/42/00/1287944200.db2.gz UAEWKVFUHQKRLR-UHFFFAOYSA-N -1 1 332.303 2.794 20 10 EFCDMM CC(C)c1ccc(OCC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001180545391 1289564280 /nfs/dbraw/zinc/56/42/80/1289564280.db2.gz MZSVXJJESLZTRQ-UHFFFAOYSA-N -1 1 343.379 2.599 20 10 EFCDMM CCOC(=O)[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031972 1312837603 /nfs/dbraw/zinc/83/76/03/1312837603.db2.gz RCGRGGUWLCHSIY-SECBINFHSA-N -1 1 346.196 2.679 20 10 EFCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@H](CCO)C1 ZINC001233031516 1312837181 /nfs/dbraw/zinc/83/71/81/1312837181.db2.gz FHUCSYUQQXTBQF-SNVBAGLBSA-N -1 1 332.213 2.888 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2Cl)c1 ZINC000093900345 1291237963 /nfs/dbraw/zinc/23/79/63/1291237963.db2.gz PMFCUNRSVSROGB-UHFFFAOYSA-N -1 1 340.788 2.669 20 10 EFCDMM CCCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093945280 1291247481 /nfs/dbraw/zinc/24/74/81/1291247481.db2.gz UAGAJIGDDGWBHO-UHFFFAOYSA-N -1 1 348.424 2.969 20 10 EFCDMM Cc1cc(C)cc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000094032913 1291266617 /nfs/dbraw/zinc/26/66/17/1291266617.db2.gz MTXHHNMKMSNFOO-UHFFFAOYSA-N -1 1 348.424 2.657 20 10 EFCDMM Cc1ccc(C(C)C)c(O)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001188187559 1291325588 /nfs/dbraw/zinc/32/55/88/1291325588.db2.gz OZYYKPIHRIDDKX-UHFFFAOYSA-N -1 1 343.379 2.848 20 10 EFCDMM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CC[C@@]1(O)C(F)(F)F ZINC001233074221 1312849213 /nfs/dbraw/zinc/84/92/13/1312849213.db2.gz LFHROTQTWDENSZ-OQPBUACISA-N -1 1 325.277 2.806 20 10 EFCDMM [O-]c1c(CN2CCC[C@@H](C(F)(F)F)[C@H]2CO)ccc(F)c1F ZINC001233074258 1312849264 /nfs/dbraw/zinc/84/92/64/1312849264.db2.gz LYGAHKBWPPLGES-MWLCHTKSSA-N -1 1 325.277 2.806 20 10 EFCDMM [O-]c1c(CN2CCC(Oc3ncc(F)cn3)CC2)ccc(F)c1F ZINC001233079603 1312850392 /nfs/dbraw/zinc/85/03/92/1312850392.db2.gz GWJICKYWKYGXEU-UHFFFAOYSA-N -1 1 339.317 2.643 20 10 EFCDMM COc1cc2nc(NCc3cc([N+](=O)[O-])ccc3[O-])[nH]c2cc1OC ZINC000775194695 1291455802 /nfs/dbraw/zinc/45/58/02/1291455802.db2.gz WCWLJHTZDDCGTD-UHFFFAOYSA-N -1 1 344.327 2.806 20 10 EFCDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)c1 ZINC001189232132 1291625696 /nfs/dbraw/zinc/62/56/96/1291625696.db2.gz DAWABKKZEACMDC-UHFFFAOYSA-N -1 1 333.365 2.598 20 10 EFCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2F)[C@@H]2C[C@@H]21 ZINC001233332270 1312904849 /nfs/dbraw/zinc/90/48/49/1312904849.db2.gz FPQHROFGSVALCB-OLZOCXBDSA-N -1 1 340.370 2.864 20 10 EFCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@@H]1F ZINC001233332069 1312904886 /nfs/dbraw/zinc/90/48/86/1312904886.db2.gz XNEQAGILXWBNKB-RYUDHWBXSA-N -1 1 346.349 2.717 20 10 EFCDMM CCn1ncc2c1[C@H](COC)CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333150 1312904950 /nfs/dbraw/zinc/90/49/50/1312904950.db2.gz LOFRDDIIVTZDFV-LBPRGKRZSA-N -1 1 337.370 2.633 20 10 EFCDMM COC(=O)[C@H]1Cc2ccccc2CN1Cc1c([O-])ccc(F)c1F ZINC001233334936 1312906106 /nfs/dbraw/zinc/90/61/06/1312906106.db2.gz AEJHQTONYUZEQF-OAHLLOKOSA-N -1 1 333.334 2.770 20 10 EFCDMM O=S(=O)([N-]c1ccc(O)c(F)c1F)C(Cl)(Cl)Cl ZINC001192031583 1292755688 /nfs/dbraw/zinc/75/56/88/1292755688.db2.gz BUUUOFVGXZGNJI-UHFFFAOYSA-N -1 1 326.535 2.740 20 10 EFCDMM Cc1ccc2c(c1)CC[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)O2 ZINC000796290779 1292773198 /nfs/dbraw/zinc/77/31/98/1292773198.db2.gz CSWAWXFEPGULFR-GOSISDBHSA-N -1 1 342.347 2.526 20 10 EFCDMM CN1CCN(C(=O)c2ccc(O)c([O-])c2Cl)[C@@H](c2ccccc2)C1 ZINC001193209894 1293198421 /nfs/dbraw/zinc/19/84/21/1293198421.db2.gz PNRJZXKKWRGAPI-CQSZACIVSA-N -1 1 346.814 2.880 20 10 EFCDMM CCOc1ncc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1F ZINC001193210116 1293198530 /nfs/dbraw/zinc/19/85/30/1293198530.db2.gz UMOSFELVMCGZGD-UHFFFAOYSA-N -1 1 326.711 2.936 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCOC[C@H]1Cc1ccccc1 ZINC001193233150 1293207437 /nfs/dbraw/zinc/20/74/37/1293207437.db2.gz VSFVJQFPMGYEAJ-CYBMUJFWSA-N -1 1 347.798 2.835 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCc2nc(C3CC3)ncc2C1 ZINC001193232975 1293207948 /nfs/dbraw/zinc/20/79/48/1293207948.db2.gz SMQDVTMMEANPNS-UHFFFAOYSA-N -1 1 345.786 2.617 20 10 EFCDMM NC(=O)c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1Cl ZINC001193230314 1293226748 /nfs/dbraw/zinc/22/67/48/1293226748.db2.gz SUXIIHZXDVLRIX-UHFFFAOYSA-N -1 1 341.150 2.756 20 10 EFCDMM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1ncnn1C ZINC000883101834 1293462284 /nfs/dbraw/zinc/46/22/84/1293462284.db2.gz WZRWAVRHGWCNGP-ZETCQYMHSA-N -1 1 345.628 2.787 20 10 EFCDMM CC(C)Oc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(F)c1 ZINC001195815182 1294030406 /nfs/dbraw/zinc/03/04/06/1294030406.db2.gz RDOZLVSAMHJJRX-UHFFFAOYSA-N -1 1 347.342 2.637 20 10 EFCDMM O=S(=O)([N-]c1ccc(O)cc1C(F)(F)F)c1ccc(O)cc1 ZINC001195802457 1294040938 /nfs/dbraw/zinc/04/09/38/1294040938.db2.gz DDKNECNUGXSFRP-UHFFFAOYSA-N -1 1 333.287 2.917 20 10 EFCDMM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)c1 ZINC001196762179 1294349794 /nfs/dbraw/zinc/34/97/94/1294349794.db2.gz RZJIYYGUSZGLFE-UHFFFAOYSA-N -1 1 333.287 2.619 20 10 EFCDMM COc1ccc(NCc2cccc(Cl)c2[O-])cc1-n1cnnn1 ZINC000775759554 1294459362 /nfs/dbraw/zinc/45/93/62/1294459362.db2.gz ZNSHZHUCTLFPBH-UHFFFAOYSA-N -1 1 331.763 2.642 20 10 EFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H](C)[S@]1=O ZINC000796368709 1294570452 /nfs/dbraw/zinc/57/04/52/1294570452.db2.gz WIGSUSCRNCYNAX-IEMGUGKBSA-N -1 1 343.876 2.980 20 10 EFCDMM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276354128 1294571255 /nfs/dbraw/zinc/57/12/55/1294571255.db2.gz IOLMDPCZRCNXFX-BETUJISGSA-N -1 1 333.432 2.755 20 10 EFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H](C)[S@]1=O ZINC000796368706 1294571977 /nfs/dbraw/zinc/57/19/77/1294571977.db2.gz WIGSUSCRNCYNAX-LYFLOJOASA-N -1 1 343.876 2.980 20 10 EFCDMM COC(=O)[C@H](Oc1cc([O-])c(O)cc1C(C)=O)c1cccc(F)c1 ZINC001234476485 1313136252 /nfs/dbraw/zinc/13/62/52/1313136252.db2.gz MPQLLLZPBKBBHI-MRXNPFEDSA-N -1 1 334.299 2.733 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c(C)c1 ZINC001198939429 1295345745 /nfs/dbraw/zinc/34/57/45/1295345745.db2.gz BRIOITJBUGJOJC-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c(C)c1 ZINC001198950102 1295383669 /nfs/dbraw/zinc/38/36/69/1295383669.db2.gz FQTKYALFVKNOEF-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM CC(C)c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(Cl)n1 ZINC001199703512 1295689494 /nfs/dbraw/zinc/68/94/94/1295689494.db2.gz GQIYQMRYVPTXRT-UHFFFAOYSA-N -1 1 348.786 2.882 20 10 EFCDMM C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@H]1CO ZINC001235058246 1313233282 /nfs/dbraw/zinc/23/32/82/1313233282.db2.gz ZWCIDCWZCGSWGK-RNCFNFMXSA-N -1 1 332.213 2.887 20 10 EFCDMM [O-]c1c(F)ccc(F)c1CN1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001275363075 1296263164 /nfs/dbraw/zinc/26/31/64/1296263164.db2.gz UIXFYXSFDQWUNT-OKILXGFUSA-N -1 1 333.382 2.847 20 10 EFCDMM CN(Cc1ccncn1)Cc1cc(Br)cc(F)c1[O-] ZINC001235073722 1313236958 /nfs/dbraw/zinc/23/69/58/1313236958.db2.gz DFXZSYICCUXYLO-UHFFFAOYSA-N -1 1 326.169 2.716 20 10 EFCDMM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001235293535 1313283504 /nfs/dbraw/zinc/28/35/04/1313283504.db2.gz ILFBMUKXFFMFTR-RNCFNFMXSA-N -1 1 330.197 2.905 20 10 EFCDMM COC(=O)[C@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235296507 1313284074 /nfs/dbraw/zinc/28/40/74/1313284074.db2.gz JBTFWZCSZLZCRB-VIFPVBQESA-N -1 1 346.196 2.679 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001236664766 1313505878 /nfs/dbraw/zinc/50/58/78/1313505878.db2.gz WUVGFIMHPMNSBA-JQWIXIFHSA-N -1 1 332.213 2.615 20 10 EFCDMM CCOC(=O)[C@@H]1CSCCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236807761 1313533463 /nfs/dbraw/zinc/53/34/63/1313533463.db2.gz ISWQOTVIYLQDFQ-ZDUSSCGKSA-N -1 1 345.848 2.535 20 10 EFCDMM CCOC(=O)[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCC1=O ZINC001236793139 1313530365 /nfs/dbraw/zinc/53/03/65/1313530365.db2.gz IGMIAQSLMJJEBK-JTQLQIEISA-N -1 1 346.210 2.653 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(c2cnccn2)CC1 ZINC001236794758 1313530726 /nfs/dbraw/zinc/53/07/26/1313530726.db2.gz UMSWGAXLSQANEB-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]21 ZINC001236800059 1313531335 /nfs/dbraw/zinc/53/13/35/1313531335.db2.gz SNUNSTZQNJQWFS-MSRIBSCDSA-N -1 1 330.211 2.940 20 10 EFCDMM COc1cc([O-])c(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c(Cl)c1 ZINC001236808609 1313534462 /nfs/dbraw/zinc/53/44/62/1313534462.db2.gz PPPXKERXDOEZIB-QWRKXWFKSA-N -1 1 337.725 2.958 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(C)C[C@@H](O)C(F)(F)F)c1[O-] ZINC000305761033 1298779963 /nfs/dbraw/zinc/77/99/63/1298779963.db2.gz DTYBFSHJOBSQSU-LLVKDONJSA-N -1 1 325.714 2.603 20 10 EFCDMM [O-]c1c(CN2CCN[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F ZINC001236994245 1313568198 /nfs/dbraw/zinc/56/81/98/1313568198.db2.gz ACCLPFKOUBBNSF-SNVBAGLBSA-N -1 1 328.256 2.747 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001237078421 1313583272 /nfs/dbraw/zinc/58/32/72/1313583272.db2.gz SXXUQEUAPPNALX-AAEUAGOBSA-N -1 1 326.170 2.943 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001237078868 1313583403 /nfs/dbraw/zinc/58/34/03/1313583403.db2.gz ZAEIETXKBSNEKF-BHYNMZESSA-N -1 1 332.227 2.671 20 10 EFCDMM CCc1nnc2n1CCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237083300 1313583617 /nfs/dbraw/zinc/58/36/17/1313583617.db2.gz BOIGMKRYULXRRM-UHFFFAOYSA-N -1 1 327.215 2.869 20 10 EFCDMM CNC(=O)N[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237086863 1313583673 /nfs/dbraw/zinc/58/36/73/1313583673.db2.gz PFNBSQSUMQQYEW-VIFPVBQESA-N -1 1 332.231 2.592 20 10 EFCDMM O=C(C1CC1)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237081969 1313583898 /nfs/dbraw/zinc/58/38/98/1313583898.db2.gz PANFOHHLWWFJJW-UHFFFAOYSA-N -1 1 329.227 2.753 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(c2cncnc2)CC1 ZINC001237085384 1313584268 /nfs/dbraw/zinc/58/42/68/1313584268.db2.gz YXBKPBQWNAFVNS-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM O=C1CN(Cc2c([O-])ccc(Cl)c2Cl)CC2(CCCC2)N1 ZINC001237087541 1313584330 /nfs/dbraw/zinc/58/43/30/1313584330.db2.gz YODSGBUXJNUZCA-UHFFFAOYSA-N -1 1 329.227 2.944 20 10 EFCDMM CN(C)C(=O)N[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085672 1313584429 /nfs/dbraw/zinc/58/44/29/1313584429.db2.gz FGYBSLOUSXKBIB-SNVBAGLBSA-N -1 1 346.258 2.935 20 10 EFCDMM CCOC(=O)[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CCC1=O ZINC001237123338 1313590511 /nfs/dbraw/zinc/59/05/11/1313590511.db2.gz CQTVWZNBVAJWJH-SNVBAGLBSA-N -1 1 343.782 2.529 20 10 EFCDMM O=C(N[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)C1CC1 ZINC001237623564 1313678692 /nfs/dbraw/zinc/67/86/92/1313678692.db2.gz PHVLTFGYKVHHEZ-CYBMUJFWSA-N -1 1 326.799 2.675 20 10 EFCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001237623778 1313678854 /nfs/dbraw/zinc/67/88/54/1313678854.db2.gz KHXVZSAKVQLWNS-GFCCVEGCSA-N -1 1 341.745 2.767 20 10 EFCDMM [O-]c1c(I)cccc1CN1CC(F)(C2CC2)C1 ZINC001237777089 1313703997 /nfs/dbraw/zinc/70/39/97/1313703997.db2.gz MUGRXTGXISIQQY-UHFFFAOYSA-N -1 1 347.171 2.931 20 10 EFCDMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCc2n[nH]nc21 ZINC000854476046 1300583671 /nfs/dbraw/zinc/58/36/71/1300583671.db2.gz ZWKWLEJOICVMSR-SECBINFHSA-N -1 1 341.198 2.553 20 10 EFCDMM [O-]c1c(I)cccc1CN1CC(C(F)F)C1 ZINC001237789293 1313706369 /nfs/dbraw/zinc/70/63/69/1313706369.db2.gz RTFQCPHGENZKBE-UHFFFAOYSA-N -1 1 339.123 2.694 20 10 EFCDMM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)cc21 ZINC000776748767 1300630910 /nfs/dbraw/zinc/63/09/10/1300630910.db2.gz GEZUQEUOQDOVBU-UHFFFAOYSA-N -1 1 339.756 2.517 20 10 EFCDMM O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1)C1CC1 ZINC001237804240 1313708897 /nfs/dbraw/zinc/70/88/97/1313708897.db2.gz ZIQAZBRFEPCXRF-CYBMUJFWSA-N -1 1 326.799 2.675 20 10 EFCDMM [O-]c1c(Cl)cc(F)cc1CN1CCN(CCc2ccncc2)CC1 ZINC001237813117 1313711428 /nfs/dbraw/zinc/71/14/28/1313711428.db2.gz KMSSUQYLZLDQNM-UHFFFAOYSA-N -1 1 349.837 2.940 20 10 EFCDMM O=C(CSc1nccn1Cc1ccccn1)c1ccc([O-])c(O)c1 ZINC000112771979 1300735046 /nfs/dbraw/zinc/73/50/46/1300735046.db2.gz JUNJAKIBZOBFTG-UHFFFAOYSA-N -1 1 341.392 2.713 20 10 EFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(CC(F)(F)F)CC1 ZINC001237949370 1313735687 /nfs/dbraw/zinc/73/56/87/1313735687.db2.gz KUTRJVYOXLWKOF-UHFFFAOYSA-N -1 1 326.721 2.865 20 10 EFCDMM O=C(c1cccnc1)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237949221 1313735831 /nfs/dbraw/zinc/73/58/31/1313735831.db2.gz IWCZUPBKPIWMEZ-UHFFFAOYSA-N -1 1 349.793 2.538 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000776854086 1301197622 /nfs/dbraw/zinc/19/76/22/1301197622.db2.gz OJXPLSZMDHAVIY-JTQLQIEISA-N -1 1 340.851 2.983 20 10 EFCDMM C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC[C@@H]1C(=O)[O-] ZINC000863740574 1302702787 /nfs/dbraw/zinc/70/27/87/1302702787.db2.gz XXRCPJWLAWHLDR-ONGXEEELSA-N -1 1 328.206 2.697 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)CC2(C)C)c1[O-] ZINC000794564817 1302733370 /nfs/dbraw/zinc/73/33/70/1302733370.db2.gz CSNPNRLUJMYXER-NRFANRHFSA-N -1 1 329.849 2.591 20 10 EFCDMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)sn1 ZINC000866485963 1303658761 /nfs/dbraw/zinc/65/87/61/1303658761.db2.gz ULBKYRJWFPOSNL-UHFFFAOYSA-N -1 1 337.470 2.530 20 10 EFCDMM CC(C)(C)n1[nH]cnc1=NCc1cccc(Br)c1[O-] ZINC000800815250 1308477557 /nfs/dbraw/zinc/47/75/57/1308477557.db2.gz RAVIEVKSWHHCDU-UHFFFAOYSA-N -1 1 325.210 2.535 20 10 EFCDMM NC(=O)NC(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000801736340 1310826675 /nfs/dbraw/zinc/82/66/75/1310826675.db2.gz YJXVBNOJILNJCM-UHFFFAOYSA-N -1 1 337.738 2.605 20 10 EFCDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC)cc1 ZINC000901705088 1310909909 /nfs/dbraw/zinc/90/99/09/1310909909.db2.gz ZXGKJAIOLFIQFO-UHFFFAOYSA-N -1 1 337.397 2.990 20 10 EFCDMM CCOC(=O)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000750038952 1311047625 /nfs/dbraw/zinc/04/76/25/1311047625.db2.gz NGOUPBHNLKJJPP-UHFFFAOYSA-N -1 1 325.792 2.776 20 10 EFCDMM Cn1nc(C2CC2)cc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000901927553 1311204183 /nfs/dbraw/zinc/20/41/83/1311204183.db2.gz BHDZMTQIAYKVCR-UHFFFAOYSA-N -1 1 345.783 2.596 20 10 EFCDMM O=C(CNc1ccc2cccc([N+](=O)[O-])c2n1)c1ccc([O-])c(O)c1 ZINC001159277246 1311484368 /nfs/dbraw/zinc/48/43/68/1311484368.db2.gz RKSBJFWUTUKPQB-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM O=C(CNc1nc2ccccc2nc1Cl)c1ccc([O-])c(O)c1 ZINC001159276871 1311484450 /nfs/dbraw/zinc/48/44/50/1311484450.db2.gz NZGGVRYPHFRXMR-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM CSc1ncc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279716 1311484516 /nfs/dbraw/zinc/48/45/16/1311484516.db2.gz VNVRCKLXZVDVHB-UHFFFAOYSA-N -1 1 325.777 2.558 20 10 EFCDMM O=C(CNc1nccc2ccc([N+](=O)[O-])cc21)c1ccc([O-])c(O)c1 ZINC001159279532 1311484648 /nfs/dbraw/zinc/48/46/48/1311484648.db2.gz SDZCZXSTHJQHGT-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM O=C(CNC(F)(F)c1nc(Cl)ccc1F)c1ccc([O-])c(O)c1 ZINC001159276172 1311484749 /nfs/dbraw/zinc/48/47/49/1311484749.db2.gz FTDKSJROGMCOFT-UHFFFAOYSA-N -1 1 346.692 2.807 20 10 EFCDMM CC(C)(C)c1nc2[nH]ccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159279482 1311484898 /nfs/dbraw/zinc/48/48/98/1311484898.db2.gz PJPHJOGBRZULOB-UHFFFAOYSA-N -1 1 340.383 2.961 20 10 EFCDMM O=C(CNc1ccc(-c2ccc(F)cc2)nn1)c1ccc([O-])c(O)c1 ZINC001159280395 1311485285 /nfs/dbraw/zinc/48/52/85/1311485285.db2.gz OWNJTLPOUDKRMQ-UHFFFAOYSA-N -1 1 339.326 2.989 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1CN2CCC1CC2 ZINC001227579986 1311824826 /nfs/dbraw/zinc/82/48/26/1311824826.db2.gz CYLLYZRXSJPAIS-KRWDZBQOSA-N -1 1 349.386 2.641 20 10 EFCDMM CCO[C@H](C)COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228110229 1311900626 /nfs/dbraw/zinc/90/06/26/1311900626.db2.gz HYBLUHCEEWBZHU-LLVKDONJSA-N -1 1 332.352 2.838 20 10 EFCDMM C[C@H]1COCC[C@H]1Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228107994 1311900635 /nfs/dbraw/zinc/90/06/35/1311900635.db2.gz ACCIKFYCXDMTBA-MEDUHNTESA-N -1 1 344.363 2.838 20 10 EFCDMM C[C@@H]1COCC[C@H]1Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228107992 1311900665 /nfs/dbraw/zinc/90/06/65/1311900665.db2.gz ACCIKFYCXDMTBA-BDJLRTHQSA-N -1 1 344.363 2.838 20 10 EFCDMM CC(C)OCCOc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228112957 1311901113 /nfs/dbraw/zinc/90/11/13/1311901113.db2.gz BNLIFIWDGQYNOY-UHFFFAOYSA-N -1 1 332.352 2.838 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC1CC2(COC2)C1 ZINC001228113007 1311901196 /nfs/dbraw/zinc/90/11/96/1311901196.db2.gz BXGJCALWIDILND-UHFFFAOYSA-N -1 1 342.347 2.592 20 10 EFCDMM CC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229786910 1312139352 /nfs/dbraw/zinc/13/93/52/1312139352.db2.gz PKJWHNXJPOMHFY-QMMMGPOBSA-N -1 1 334.324 2.623 20 10 EFCDMM C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001229787336 1312139370 /nfs/dbraw/zinc/13/93/70/1312139370.db2.gz VCQQQISAGQPYRV-MRVPVSSYSA-N -1 1 346.335 2.623 20 10 EFCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001229787338 1312139589 /nfs/dbraw/zinc/13/95/89/1312139589.db2.gz VCQQQISAGQPYRV-QMMMGPOBSA-N -1 1 346.335 2.623 20 10 EFCDMM Cc1c([O-])cc2c(c1O[C@H]1COC[C@@H]1C)C(=O)c1ccccc1C2=O ZINC001229828755 1312146171 /nfs/dbraw/zinc/14/61/71/1312146171.db2.gz FYIQYFNPEHYZAO-QFYYESIMSA-N -1 1 338.359 2.890 20 10 EFCDMM CO[C@H](C)COc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229829588 1312147058 /nfs/dbraw/zinc/14/70/58/1312147058.db2.gz VKIRWILFLUGIGV-SNVBAGLBSA-N -1 1 326.348 2.890 20 10 EFCDMM CNc1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000803214452 1312376889 /nfs/dbraw/zinc/37/68/89/1312376889.db2.gz WLKYGOARVYCVAE-UHFFFAOYSA-N -1 1 336.189 2.521 20 10 EFCDMM Cc1ccn2cc(CN(C)Cc3ccc(C(=O)[O-])cc3O)nc2c1 ZINC001231453309 1312501402 /nfs/dbraw/zinc/50/14/02/1312501402.db2.gz KUXPUOWMPUJDLZ-UHFFFAOYSA-N -1 1 325.368 2.679 20 10 EFCDMM C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565080 1312526717 /nfs/dbraw/zinc/52/67/17/1312526717.db2.gz PPINHCUUFARHNT-UHFFFAOYSA-N -1 1 328.368 2.580 20 10 EFCDMM C[N@@H+](CCCC(=O)c1cccnc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565080 1312526721 /nfs/dbraw/zinc/52/67/21/1312526721.db2.gz PPINHCUUFARHNT-UHFFFAOYSA-N -1 1 328.368 2.580 20 10 EFCDMM O=C(N[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)c1ccccn1 ZINC001231913559 1312587118 /nfs/dbraw/zinc/58/71/18/1312587118.db2.gz MPYPDWCHSXFGDT-CQSZACIVSA-N -1 1 345.830 2.835 20 10 EFCDMM [O-]c1cc(O)c(CN2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)cc1Cl ZINC001232258974 1312659922 /nfs/dbraw/zinc/65/99/22/1312659922.db2.gz GDFMGFFJJZAKBZ-RYUDHWBXSA-N -1 1 343.704 2.588 20 10 EFCDMM [O-]c1cc(O)c(CN2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)cc1Cl ZINC001232258973 1312660364 /nfs/dbraw/zinc/66/03/64/1312660364.db2.gz GDFMGFFJJZAKBZ-NEPJUHHUSA-N -1 1 343.704 2.588 20 10 EFCDMM COc1ccc(CN2CCCCO2)c([O-])c1I ZINC001248482104 1314938477 /nfs/dbraw/zinc/93/84/77/1314938477.db2.gz QVZAETRKTPGKAX-UHFFFAOYSA-N -1 1 349.168 2.533 20 10 EFCDMM COc1ccc(C)cc1NC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001249678847 1315120895 /nfs/dbraw/zinc/12/08/95/1315120895.db2.gz WQSJHFGTSUOMBA-UHFFFAOYSA-N -1 1 346.408 2.584 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC1CCC(O)CC1 ZINC001218366772 1315185520 /nfs/dbraw/zinc/18/55/20/1315185520.db2.gz QCWUTYDHTIDDKC-UHFFFAOYSA-N -1 1 338.359 2.850 20 10 EFCDMM O=S(=O)(Nc1cncc(O)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251389722 1315345255 /nfs/dbraw/zinc/34/52/55/1315345255.db2.gz DRZBOFNHEALGDY-UHFFFAOYSA-N -1 1 335.168 2.600 20 10 EFCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1cc(F)c(F)c(F)c1 ZINC001259500934 1316251988 /nfs/dbraw/zinc/25/19/88/1316251988.db2.gz QBEXMNNALHZWSG-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM O=S(=O)(CCc1cccc(F)c1)Nc1c(F)cc([O-])cc1F ZINC001259774567 1316276491 /nfs/dbraw/zinc/27/64/91/1316276491.db2.gz CVJIKSNRMDPMIV-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1 ZINC001260239232 1316325743 /nfs/dbraw/zinc/32/57/43/1316325743.db2.gz LECWFTGTSILUCO-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1C ZINC001260638902 1316352163 /nfs/dbraw/zinc/35/21/63/1316352163.db2.gz IXBYYZARLNJYSA-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1F ZINC001260661528 1316355779 /nfs/dbraw/zinc/35/57/79/1316355779.db2.gz LKYABKZASJHTFW-UHFFFAOYSA-N -1 1 333.287 2.619 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1F ZINC001260662008 1316355887 /nfs/dbraw/zinc/35/58/87/1316355887.db2.gz XASSEXYGNQYRQW-UHFFFAOYSA-N -1 1 333.287 2.619 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1F ZINC001260662421 1316356316 /nfs/dbraw/zinc/35/63/16/1316356316.db2.gz RPSUMMKMMNGQNH-UHFFFAOYSA-N -1 1 333.287 2.619 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)cc1F ZINC001260662118 1316356550 /nfs/dbraw/zinc/35/65/50/1316356550.db2.gz FLCHPQLZMIVWPR-UHFFFAOYSA-N -1 1 339.344 2.543 20 10 EFCDMM Cc1ccc(N2CCC[C@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC001261259744 1316399395 /nfs/dbraw/zinc/39/93/95/1316399395.db2.gz QQBDDXLWXGVIGO-ZDUSSCGKSA-N -1 1 344.386 2.944 20 10 EFCDMM COC(=O)[C@H]1CC(F)(F)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001261782214 1316430354 /nfs/dbraw/zinc/43/03/54/1316430354.db2.gz ZVDKKCJVWVXMQR-GFCCVEGCSA-N -1 1 347.745 2.631 20 10 EFCDMM CCC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1nn[n-]n1 ZINC000736431314 1321977464 /nfs/dbraw/zinc/97/74/64/1321977464.db2.gz MWSCXQVVXJLUSK-MRXNPFEDSA-N -1 1 338.415 2.878 20 10 EFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1CC1CC1 ZINC001320904917 1329317432 /nfs/dbraw/zinc/31/74/32/1329317432.db2.gz GLQXMFSGNMPUJG-UHFFFAOYSA-N -1 1 343.379 2.966 20 10 EFCDMM Cn1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2)cn1 ZINC001321071760 1329339761 /nfs/dbraw/zinc/33/97/61/1329339761.db2.gz DLBNAMYYWPLFKI-WQRHYEAKSA-N -1 1 344.374 2.549 20 10 EFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cn(-c2ccccc2)nn1 ZINC001324141767 1329603061 /nfs/dbraw/zinc/60/30/61/1329603061.db2.gz OKTGLFWJLMVQJN-UHFFFAOYSA-N -1 1 340.730 2.709 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnoc1C1CC1 ZINC001324644212 1329647452 /nfs/dbraw/zinc/64/74/52/1329647452.db2.gz CHMUCQCSJZGQFL-UHFFFAOYSA-N -1 1 337.173 2.950 20 10 EFCDMM C[C@@]1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCc2ccccc21 ZINC001329272702 1330688836 /nfs/dbraw/zinc/68/88/36/1330688836.db2.gz LJOOIUZPYJLTEJ-LJQANCHMSA-N -1 1 326.348 2.728 20 10 EFCDMM Cn1cc([C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)cn1 ZINC001337654035 1331590077 /nfs/dbraw/zinc/59/00/77/1331590077.db2.gz VZNIXZJPFRUORE-SFHVURJKSA-N -1 1 338.367 2.913 20 10 EFCDMM Cn1cc([C@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)cn1 ZINC001337654034 1331590187 /nfs/dbraw/zinc/59/01/87/1331590187.db2.gz VZNIXZJPFRUORE-GOSISDBHSA-N -1 1 338.367 2.913 20 10 EFCDMM O=C(NCCOc1ccc2c(c1)CCC2)c1c(F)ccc(O)c1[O-] ZINC001344076772 1332401297 /nfs/dbraw/zinc/40/12/97/1332401297.db2.gz WDFXVLLJRFEYIB-UHFFFAOYSA-N -1 1 331.343 2.534 20 10 EFCDMM CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccccc1-c1nnn[n-]1 ZINC000825812515 1429083488 /nfs/dbraw/zinc/08/34/88/1429083488.db2.gz LPBPRKDFNSMCLX-CLFYSBASSA-N -1 1 340.774 2.591 20 10 EFCDMM COc1cc(C)cc(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000826178357 1429209065 /nfs/dbraw/zinc/20/90/65/1429209065.db2.gz VBQWKXSWWHPVJT-UHFFFAOYSA-N -1 1 325.372 2.526 20 10 EFCDMM Cc1cc(C(=O)N2CC=CCC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257420 1426997804 /nfs/dbraw/zinc/99/78/04/1426997804.db2.gz BNYAIPPROWMMHR-UHFFFAOYSA-N -1 1 348.410 2.676 20 10 EFCDMM C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(N(C)C)cc1 ZINC000824606983 1427393082 /nfs/dbraw/zinc/39/30/82/1427393082.db2.gz UUMZANNHFAFHMS-GFCCVEGCSA-N -1 1 340.406 2.923 20 10 EFCDMM COc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1O ZINC000826216161 1441660376 /nfs/dbraw/zinc/66/03/76/1441660376.db2.gz MUDFJXVRLZISSU-UHFFFAOYSA-N -1 1 331.763 2.846 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000821827664 1441927747 /nfs/dbraw/zinc/92/77/47/1441927747.db2.gz HLUSHGPNGJQTGD-UHFFFAOYSA-N -1 1 331.326 2.790 20 10 EFCDMM C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Cl)c1[O-] ZINC000825961707 1442138207 /nfs/dbraw/zinc/13/82/07/1442138207.db2.gz LPEYOFQVTCLQNW-UHFFFAOYSA-N -1 1 329.791 2.858 20 10 EFCDMM c1csc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1 ZINC000738404209 1442150999 /nfs/dbraw/zinc/15/09/99/1442150999.db2.gz ALZMQAQPHVNPOE-UHFFFAOYSA-N -1 1 343.397 2.666 20 10 EFCDMM c1coc(Cn2c(-c3ccccc3)cnc2SCc2nn[n-]n2)c1 ZINC000745438601 1443485939 /nfs/dbraw/zinc/48/59/39/1443485939.db2.gz YBRCJFIOAHBCDH-UHFFFAOYSA-N -1 1 338.396 2.997 20 10 EFCDMM COc1ccc(N(C)Cc2cc(F)ccc2-c2nnn[n-]2)cc1F ZINC000821827659 1443654210 /nfs/dbraw/zinc/65/42/10/1443654210.db2.gz HDMFZWRXVDAYSQ-UHFFFAOYSA-N -1 1 331.326 2.790 20 10 EFCDMM CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccccc1-c1nnn[n-]1 ZINC000825812516 1446339865 /nfs/dbraw/zinc/33/98/65/1446339865.db2.gz LPBPRKDFNSMCLX-VQHVLOKHSA-N -1 1 340.774 2.591 20 10 EFCDMM COc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1O ZINC000826216296 1449986509 /nfs/dbraw/zinc/98/65/09/1449986509.db2.gz RTHZJHLISIPAGC-UHFFFAOYSA-N -1 1 348.366 2.741 20 10 EFCDMM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000161173516 715361087 /nfs/dbraw/zinc/36/10/87/715361087.db2.gz SAVNNFMMAJFMOY-SECBINFHSA-N -1 1 343.351 2.719 20 10 EFCDMM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000161173409 715361516 /nfs/dbraw/zinc/36/15/16/715361516.db2.gz SAVNNFMMAJFMOY-VIFPVBQESA-N -1 1 343.351 2.719 20 10 EFCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000013464038 719010560 /nfs/dbraw/zinc/01/05/60/719010560.db2.gz NAQGTOVDZILHEN-UHFFFAOYSA-N -1 1 345.735 2.684 20 10 EFCDMM O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000182525787 720143986 /nfs/dbraw/zinc/14/39/86/720143986.db2.gz XYFLCIZLVMGPLC-UHFFFAOYSA-N -1 1 327.258 2.752 20 10 EFCDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000194430776 721361740 /nfs/dbraw/zinc/36/17/40/721361740.db2.gz NHXLCUNUKSYPOZ-UHFFFAOYSA-N -1 1 348.424 2.675 20 10 EFCDMM COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc(F)cc(F)c1[O-] ZINC000894969148 723038546 /nfs/dbraw/zinc/03/85/46/723038546.db2.gz IQOAZOJAMHKRBC-UHFFFAOYSA-N -1 1 339.386 2.669 20 10 EFCDMM COCCC[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199564 723842801 /nfs/dbraw/zinc/84/28/01/723842801.db2.gz WRDMMQKCWBVDCD-UHFFFAOYSA-N -1 1 329.396 2.797 20 10 EFCDMM COCCC[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199564 723842802 /nfs/dbraw/zinc/84/28/02/723842802.db2.gz WRDMMQKCWBVDCD-UHFFFAOYSA-N -1 1 329.396 2.797 20 10 EFCDMM COCCC[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199564 723842804 /nfs/dbraw/zinc/84/28/04/723842804.db2.gz WRDMMQKCWBVDCD-UHFFFAOYSA-N -1 1 329.396 2.797 20 10 EFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCOCC2)c1[O-] ZINC000728199171 723844597 /nfs/dbraw/zinc/84/45/97/723844597.db2.gz UEEVMVFSSQEYHV-UHFFFAOYSA-N -1 1 327.380 2.551 20 10 EFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCCOCC2)c1[O-] ZINC000728199171 723844601 /nfs/dbraw/zinc/84/46/01/723844601.db2.gz UEEVMVFSSQEYHV-UHFFFAOYSA-N -1 1 327.380 2.551 20 10 EFCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000895835600 724342591 /nfs/dbraw/zinc/34/25/91/724342591.db2.gz FIKZEVUCROKLAU-LBPRGKRZSA-N -1 1 327.705 2.931 20 10 EFCDMM CC(C)C[C@H]1CN(C)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375132 727435538 /nfs/dbraw/zinc/43/55/38/727435538.db2.gz PAYAAWNXSFZGDX-PKYBCLHXSA-N -1 1 347.415 2.859 20 10 EFCDMM CC[C@@H]1CN(CC)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375731 727435787 /nfs/dbraw/zinc/43/57/87/727435787.db2.gz ROKQFLNYLQAAMB-IQCBXXCUSA-N -1 1 333.388 2.613 20 10 EFCDMM O=C(CCC(=O)c1cccs1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916589913 727698917 /nfs/dbraw/zinc/69/89/17/727698917.db2.gz HEWNYTZLSAIFAF-UHFFFAOYSA-N -1 1 334.349 2.548 20 10 EFCDMM O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591053 727699124 /nfs/dbraw/zinc/69/91/24/727699124.db2.gz WWSYWUAKQMFOQA-UHFFFAOYSA-N -1 1 339.347 2.938 20 10 EFCDMM O=C(CSc1ccc(F)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916601388 727700248 /nfs/dbraw/zinc/70/02/48/727700248.db2.gz LMEBENVKJOTFRY-UHFFFAOYSA-N -1 1 336.340 2.755 20 10 EFCDMM Cc1cc(C)c(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC000916621266 727702243 /nfs/dbraw/zinc/70/22/43/727702243.db2.gz NCFJFCPSTRWVTB-UHFFFAOYSA-N -1 1 344.363 2.828 20 10 EFCDMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1cc(F)c(F)c(F)c1 ZINC000157515291 728157154 /nfs/dbraw/zinc/15/71/54/728157154.db2.gz UQHFNZKTNLMOCH-UHFFFAOYSA-N -1 1 331.271 2.633 20 10 EFCDMM CSc1ccccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920977093 729250227 /nfs/dbraw/zinc/25/02/27/729250227.db2.gz YDJJDXZNBSWDGS-DHZHZOJOSA-N -1 1 349.481 2.604 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CCC1 ZINC001595072913 951614931 /nfs/dbraw/zinc/61/49/31/951614931.db2.gz YYLLUOHNYWLMEE-UHFFFAOYSA-N -1 1 332.169 2.733 20 10 EFCDMM C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715761525 955116643 /nfs/dbraw/zinc/11/66/43/955116643.db2.gz MJVFMAFSBPTVIE-ZDUSSCGKSA-N -1 1 332.169 2.733 20 10 EFCDMM C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715761525 955116648 /nfs/dbraw/zinc/11/66/48/955116648.db2.gz MJVFMAFSBPTVIE-ZDUSSCGKSA-N -1 1 332.169 2.733 20 10 EFCDMM C[C@@]1(C(=O)[O-])CCCN1Cc1cc(Br)cc(F)c1O ZINC000715761525 955116653 /nfs/dbraw/zinc/11/66/53/955116653.db2.gz MJVFMAFSBPTVIE-ZDUSSCGKSA-N -1 1 332.169 2.733 20 10 EFCDMM CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H](C(=O)[O-])C1CC1 ZINC000873641799 956069971 /nfs/dbraw/zinc/06/99/71/956069971.db2.gz ZXSVBWOMCILMOD-ZDUSSCGKSA-N -1 1 328.206 2.840 20 10 EFCDMM CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H](C(=O)[O-])C1CC1 ZINC000873641799 956069985 /nfs/dbraw/zinc/06/99/85/956069985.db2.gz ZXSVBWOMCILMOD-ZDUSSCGKSA-N -1 1 328.206 2.840 20 10 EFCDMM CC(C)N(Cc1c(C(=O)[O-])cnn1C)Cc1ccc(N(C)C)cc1 ZINC001588920094 962365450 /nfs/dbraw/zinc/36/54/50/962365450.db2.gz AICJJSPVSMTBMZ-UHFFFAOYSA-N -1 1 330.432 2.595 20 10 EFCDMM C[C@H]1C[N@H+](Cc2c([O-])cccc2Br)CC[C@@H]1C(=O)[O-] ZINC000706647728 969018154 /nfs/dbraw/zinc/01/81/54/969018154.db2.gz RQSOUSAABYUOHS-UWVGGRQHSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)CC[C@@H]1C(=O)[O-] ZINC000706647728 969018165 /nfs/dbraw/zinc/01/81/65/969018165.db2.gz RQSOUSAABYUOHS-UWVGGRQHSA-N -1 1 328.206 2.697 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c([O-])cccc1Br ZINC000706649733 977357151 /nfs/dbraw/zinc/35/71/51/977357151.db2.gz VGPBARAYDLBGRH-BHDSKKPTSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c([O-])cccc1Br ZINC000706649733 977357155 /nfs/dbraw/zinc/35/71/55/977357155.db2.gz VGPBARAYDLBGRH-BHDSKKPTSA-N -1 1 340.217 2.840 20 10 EFCDMM C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715758598 977781437 /nfs/dbraw/zinc/78/14/37/977781437.db2.gz DDQLUTVQWJVSSP-OIBJUYFYSA-N -1 1 332.169 2.589 20 10 EFCDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000790411271 978799267 /nfs/dbraw/zinc/79/92/67/978799267.db2.gz IJIYGGRMOYNOEI-UHFFFAOYSA-N -1 1 339.344 2.593 20 10 EFCDMM CCO[C@@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1CC1 ZINC001596784622 985250154 /nfs/dbraw/zinc/25/01/54/985250154.db2.gz RQPKUPUGBCDKHT-HNNXBMFYSA-N -1 1 327.808 2.747 20 10 EFCDMM CCO[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1CC1 ZINC001596784622 985250162 /nfs/dbraw/zinc/25/01/62/985250162.db2.gz RQPKUPUGBCDKHT-HNNXBMFYSA-N -1 1 327.808 2.747 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c1[O-] ZINC001589267705 985947550 /nfs/dbraw/zinc/94/75/50/985947550.db2.gz HVCDUWMLXIOTLL-XPTSAGLGSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c1[O-] ZINC001589267705 985947559 /nfs/dbraw/zinc/94/75/59/985947559.db2.gz HVCDUWMLXIOTLL-XPTSAGLGSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC001589270581 985962702 /nfs/dbraw/zinc/96/27/02/985962702.db2.gz CMJPLIYHAZFRCB-SFHVURJKSA-N -1 1 331.343 2.824 20 10 EFCDMM C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C(C)(C)CC(=O)[O-] ZINC001598504695 992485777 /nfs/dbraw/zinc/48/57/77/992485777.db2.gz CJIZBCYBUYLCIS-UHFFFAOYSA-N -1 1 334.185 2.979 20 10 EFCDMM CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC001599079112 996953763 /nfs/dbraw/zinc/95/37/63/996953763.db2.gz OBDVHUIABQDPON-IBGZPJMESA-N -1 1 345.395 2.693 20 10 EFCDMM CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC001599079112 996953776 /nfs/dbraw/zinc/95/37/76/996953776.db2.gz OBDVHUIABQDPON-IBGZPJMESA-N -1 1 345.395 2.693 20 10 EFCDMM CC1(C)CO[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001593953660 997035430 /nfs/dbraw/zinc/03/54/30/997035430.db2.gz BRKUQEOSPWWNCZ-CYBMUJFWSA-N -1 1 327.808 2.747 20 10 EFCDMM CC1(C)CO[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001593953660 997035445 /nfs/dbraw/zinc/03/54/45/997035445.db2.gz BRKUQEOSPWWNCZ-CYBMUJFWSA-N -1 1 327.808 2.747 20 10 EFCDMM CO[C@@](C)(C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1CC1 ZINC001599035675 999081171 /nfs/dbraw/zinc/08/11/71/999081171.db2.gz CEFXULNLLZZDKC-INIZCTEOSA-N -1 1 327.808 2.747 20 10 EFCDMM CO[C@@](C)(C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1CC1 ZINC001599035675 999081175 /nfs/dbraw/zinc/08/11/75/999081175.db2.gz CEFXULNLLZZDKC-INIZCTEOSA-N -1 1 327.808 2.747 20 10 EFCDMM C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594424012 999585799 /nfs/dbraw/zinc/58/57/99/999585799.db2.gz OKIQKZXESJEVSQ-BXKDBHETSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594424012 999585801 /nfs/dbraw/zinc/58/58/01/999585801.db2.gz OKIQKZXESJEVSQ-BXKDBHETSA-N -1 1 328.206 2.840 20 10 EFCDMM Nc1ccc(CCNC(=O)c2c([O-])cnc3c(F)cccc32)cc1 ZINC001580443439 1090901287 /nfs/dbraw/zinc/90/12/87/1090901287.db2.gz FNKAXTZGRWKIDO-UHFFFAOYSA-N -1 1 325.343 2.634 20 10 EFCDMM COc1ccc2c(c1)CCCCN2Cc1ccc(-c2nnn[n-]2)o1 ZINC001591626818 1093805372 /nfs/dbraw/zinc/80/53/72/1093805372.db2.gz RNSHMNUDOLUCBK-UHFFFAOYSA-N -1 1 325.372 2.811 20 10 EFCDMM COc1ccc2c(c1)CCCCN2Cc1ccc(-c2nn[n-]n2)o1 ZINC001591626818 1093805381 /nfs/dbraw/zinc/80/53/81/1093805381.db2.gz RNSHMNUDOLUCBK-UHFFFAOYSA-N -1 1 325.372 2.811 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(C)c1F ZINC000782907793 1094394844 /nfs/dbraw/zinc/39/48/44/1094394844.db2.gz PDDAVZFPWNNOHV-UHFFFAOYSA-N -1 1 339.344 2.672 20 10 EFCDMM Cc1cc(C(=O)CN2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001600076548 1094755916 /nfs/dbraw/zinc/75/59/16/1094755916.db2.gz GCWNZYGYZKPTTJ-AWEZNQCLSA-N -1 1 344.386 2.822 20 10 EFCDMM O=C([O-])[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc2c(c1)CCO2 ZINC001601674574 1095806629 /nfs/dbraw/zinc/80/66/29/1095806629.db2.gz PLLUBVBYPDZJCB-MRXNPFEDSA-N -1 1 333.771 2.896 20 10 EFCDMM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001601706879 1095853937 /nfs/dbraw/zinc/85/39/37/1095853937.db2.gz FWSYVJMYULBPEQ-LBPRGKRZSA-N -1 1 325.233 2.509 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001601757370 1095892789 /nfs/dbraw/zinc/89/27/89/1095892789.db2.gz SKMAFJRRXNGNJX-KDDOJWQBSA-N -1 1 340.763 2.639 20 10 EFCDMM O=C([O-])[C@H]1CSCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001601856517 1095936018 /nfs/dbraw/zinc/93/60/18/1095936018.db2.gz JXKCAIAWQWCPAX-SECBINFHSA-N -1 1 336.240 2.949 20 10 EFCDMM O=C([O-])C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC001601961684 1095994476 /nfs/dbraw/zinc/99/44/76/1095994476.db2.gz WARJLZGRFNGERJ-QGZVFWFLSA-N -1 1 327.380 2.735 20 10 EFCDMM O=C([O-])C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC001601961683 1095994928 /nfs/dbraw/zinc/99/49/28/1095994928.db2.gz WARJLZGRFNGERJ-KRWDZBQOSA-N -1 1 327.380 2.735 20 10 EFCDMM O=C([O-])C[N@H+](CCc1cncs1)Cc1cc(Cl)ccc1[O-] ZINC001602057021 1096046363 /nfs/dbraw/zinc/04/63/63/1096046363.db2.gz WXBJIZWKHOJWQZ-UHFFFAOYSA-N -1 1 326.805 2.631 20 10 EFCDMM O=C([O-])C[N@@H+](CCc1cncs1)Cc1cc(Cl)ccc1[O-] ZINC001602057021 1096046375 /nfs/dbraw/zinc/04/63/75/1096046375.db2.gz WXBJIZWKHOJWQZ-UHFFFAOYSA-N -1 1 326.805 2.631 20 10 EFCDMM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]21 ZINC001602205307 1096116219 /nfs/dbraw/zinc/11/62/19/1096116219.db2.gz VHHLBUBZTSYICB-DZFIZOCASA-N -1 1 339.391 2.734 20 10 EFCDMM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC001604496279 1096881706 /nfs/dbraw/zinc/88/17/06/1096881706.db2.gz IVNSBMDELOBNNZ-CQSZACIVSA-N -1 1 328.206 2.841 20 10 EFCDMM COc1cc(C(=O)[O-])cc(NCc2ccc(F)c(F)c2O)c1OC ZINC001607104052 1097516270 /nfs/dbraw/zinc/51/62/70/1097516270.db2.gz XHFGVYAGXFBLIW-UHFFFAOYSA-N -1 1 339.294 2.998 20 10 EFCDMM COc1ccc(N2CCN(Cc3ccccc3C(=O)[O-])CC2)cc1F ZINC001607270852 1097580671 /nfs/dbraw/zinc/58/06/71/1097580671.db2.gz SWLZSOYIAKOOML-UHFFFAOYSA-N -1 1 344.386 2.855 20 10 EFCDMM CC(C)(C)c1nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cs1 ZINC000783388939 1098077899 /nfs/dbraw/zinc/07/78/99/1098077899.db2.gz MMYOWIUNYDBBAF-UHFFFAOYSA-N -1 1 335.381 2.892 20 10 EFCDMM C[C@H](C(=O)[O-])[N@@H+](Cc1cccc(Br)c1[O-])C1CCC1 ZINC001609641830 1098412925 /nfs/dbraw/zinc/41/29/25/1098412925.db2.gz UGRWRGZHPCBNMD-SECBINFHSA-N -1 1 328.206 2.982 20 10 EFCDMM COc1ccc([C@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])c(OC)c1 ZINC001610324685 1098622034 /nfs/dbraw/zinc/62/20/34/1098622034.db2.gz LCSUBIFXIPYGQH-SFHVURJKSA-N -1 1 343.379 2.554 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000588423444 1102244335 /nfs/dbraw/zinc/24/43/35/1102244335.db2.gz MNTZJUUIYYCGQT-KMKOMSMNSA-N -1 1 340.792 2.549 20 10 EFCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc([N+](=O)[O-])c1F ZINC000322252384 1105987604 /nfs/dbraw/zinc/98/76/04/1105987604.db2.gz NJWJZLAGCGXIKF-UHFFFAOYSA-N -1 1 340.332 2.857 20 10 EFCDMM Cc1cnc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)s1 ZINC001142525149 1106167207 /nfs/dbraw/zinc/16/72/07/1106167207.db2.gz ZZHKMDXFNDFMPH-UHFFFAOYSA-N -1 1 325.384 2.758 20 10 EFCDMM CC(C)CN1CC[C@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272616059 1111748282 /nfs/dbraw/zinc/74/82/82/1111748282.db2.gz GOYFIRXOXXOOKJ-GOSISDBHSA-N -1 1 338.398 2.893 20 10 EFCDMM CCn1nccc(NCc2cc(Cl)c3cccnc3c2[O-])c1=O ZINC001168525563 1112542534 /nfs/dbraw/zinc/54/25/34/1112542534.db2.gz GENKVBJVFLIVOG-UHFFFAOYSA-N -1 1 330.775 2.783 20 10 EFCDMM CC(C)n1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cn1 ZINC000288129963 241002607 /nfs/dbraw/zinc/00/26/07/241002607.db2.gz DTWWSBUAWJECOZ-UHFFFAOYSA-N -1 1 333.772 2.763 20 10 EFCDMM Cc1cnn([C@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)c1 ZINC000290891578 241022152 /nfs/dbraw/zinc/02/21/52/241022152.db2.gz LJSWWVRKFYYSQN-ZDUSSCGKSA-N -1 1 336.779 2.906 20 10 EFCDMM C[C@]1(CNC(=O)c2c(F)ccc(O)c2[O-])OCCc2sccc21 ZINC000296027973 241072484 /nfs/dbraw/zinc/07/24/84/241072484.db2.gz MGZZKVGSJHWDEQ-MRXNPFEDSA-N -1 1 337.372 2.516 20 10 EFCDMM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1c(F)ccc(O)c1[O-])C2 ZINC000296261975 241081498 /nfs/dbraw/zinc/08/14/98/241081498.db2.gz XTTLCBKOZCMIIL-UHFFFAOYSA-N -1 1 343.354 2.933 20 10 EFCDMM COc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1F ZINC000297075192 241111457 /nfs/dbraw/zinc/11/14/57/241111457.db2.gz UPGKXZGOGGLGKW-UHFFFAOYSA-N -1 1 344.386 2.855 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ncoc1C1CC1 ZINC000295479404 241052621 /nfs/dbraw/zinc/05/26/21/241052621.db2.gz XCIWNWHQPRWDEN-UHFFFAOYSA-N -1 1 337.173 2.950 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000367571988 242385519 /nfs/dbraw/zinc/38/55/19/242385519.db2.gz CBIHRKCVIVIUAX-HZPDHXFCSA-N -1 1 339.819 2.628 20 10 EFCDMM [O-]c1cccc(Cl)c1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000156044541 285392465 /nfs/dbraw/zinc/39/24/65/285392465.db2.gz RCTGYQGMECELGW-UHFFFAOYSA-N -1 1 332.713 2.672 20 10 EFCDMM COC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000176980136 533293823 /nfs/dbraw/zinc/29/38/23/533293823.db2.gz YBBWYMYCYAFYFL-UHFFFAOYSA-N -1 1 325.792 2.633 20 10 EFCDMM O=C(COC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000277492899 474586959 /nfs/dbraw/zinc/58/69/59/474586959.db2.gz JMQMBWUAEAXWFA-UHFFFAOYSA-N -1 1 328.206 2.730 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(CCO)Cc2cccnc2)c1[O-] ZINC000156738464 472746179 /nfs/dbraw/zinc/74/61/79/472746179.db2.gz VJRBNZZNVTWCKJ-UHFFFAOYSA-N -1 1 334.803 2.638 20 10 EFCDMM CCCOc1ccc(C[N@@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)c(O)c1 ZINC000289209954 474184288 /nfs/dbraw/zinc/18/42/88/474184288.db2.gz BXUKXTXYTHNMBQ-IATAILRESA-N -1 1 325.474 2.912 20 10 EFCDMM NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000182954127 474296013 /nfs/dbraw/zinc/29/60/13/474296013.db2.gz IISGKPFGRTZKEC-SFHVURJKSA-N -1 1 340.423 2.811 20 10 EFCDMM NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000182954107 474296164 /nfs/dbraw/zinc/29/61/64/474296164.db2.gz IISGKPFGRTZKEC-GOSISDBHSA-N -1 1 340.423 2.811 20 10 EFCDMM O=C(NCCCOCCc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000276537653 474564845 /nfs/dbraw/zinc/56/48/45/474564845.db2.gz INFQPYFAUBVKIL-UHFFFAOYSA-N -1 1 333.359 2.616 20 10 EFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000276964943 474574270 /nfs/dbraw/zinc/57/42/70/474574270.db2.gz UVAXFDSPBLCINN-UHFFFAOYSA-N -1 1 335.381 2.527 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C)[S@](=O)CC2)c1[O-] ZINC000277126627 474578760 /nfs/dbraw/zinc/57/87/60/474578760.db2.gz ICRXPEVLSJFFEM-CHNSCGDPSA-N -1 1 329.849 2.591 20 10 EFCDMM CCCCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277541513 474588902 /nfs/dbraw/zinc/58/89/02/474588902.db2.gz WZANEOYCZOCVNT-UHFFFAOYSA-N -1 1 336.251 2.764 20 10 EFCDMM CC(C)OCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277574471 474590154 /nfs/dbraw/zinc/59/01/54/474590154.db2.gz QYMOMVKZZJJLMK-UHFFFAOYSA-N -1 1 330.222 2.976 20 10 EFCDMM C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277659680 474593085 /nfs/dbraw/zinc/59/30/85/474593085.db2.gz ZUTNKHMHACVILJ-JOYOIKCWSA-N -1 1 340.217 2.776 20 10 EFCDMM COc1c([O-])c(CN2CCCC[C@@H]2c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000278225487 474603487 /nfs/dbraw/zinc/60/34/87/474603487.db2.gz MBGOVCLAOWURJD-CYBMUJFWSA-N -1 1 332.360 2.759 20 10 EFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000280886681 475054096 /nfs/dbraw/zinc/05/40/96/475054096.db2.gz GMVJZLKLRDVCDN-UHFFFAOYSA-N -1 1 326.396 2.690 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1O ZINC000281134676 475084907 /nfs/dbraw/zinc/08/49/07/475084907.db2.gz YSDMPMGUICZTSO-QGZVFWFLSA-N -1 1 344.386 2.920 20 10 EFCDMM COc1ccc(COCCCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000295055900 475100157 /nfs/dbraw/zinc/10/01/57/475100157.db2.gz KHTMTJIWAPWRBL-UHFFFAOYSA-N -1 1 349.358 2.582 20 10 EFCDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cccc(F)c1O ZINC000292803926 475203814 /nfs/dbraw/zinc/20/38/14/475203814.db2.gz NXCJTMSVYLQNJN-BXKDBHETSA-N -1 1 334.313 2.563 20 10 EFCDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000292803926 475203818 /nfs/dbraw/zinc/20/38/18/475203818.db2.gz NXCJTMSVYLQNJN-BXKDBHETSA-N -1 1 334.313 2.563 20 10 EFCDMM C[C@@H](NCc1nnc2n1CCOC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000375448879 476842594 /nfs/dbraw/zinc/84/25/94/476842594.db2.gz VNJLRYKYYMEMLA-MRVPVSSYSA-N -1 1 343.214 2.672 20 10 EFCDMM COCCn1c(C)c(C)c2cc(C(=O)Nc3c(C)[n-][nH]c3=O)ccc21 ZINC000646413397 481283562 /nfs/dbraw/zinc/28/35/62/481283562.db2.gz XFTQDHPVPWVGCE-UHFFFAOYSA-N -1 1 342.399 2.894 20 10 EFCDMM C[C@@H](NCc1cn(-c2ccccc2)nn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756743767 575783456 /nfs/dbraw/zinc/78/34/56/575783456.db2.gz VVYABVXISPNSNR-GFCCVEGCSA-N -1 1 339.355 2.732 20 10 EFCDMM COc1ccc(O)c([C@H](C)NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000761969130 576234928 /nfs/dbraw/zinc/23/49/28/576234928.db2.gz YTQVRLWPYBHLMW-JTQLQIEISA-N -1 1 345.399 2.819 20 10 EFCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000761969628 576235083 /nfs/dbraw/zinc/23/50/83/576235083.db2.gz YTQVRLWPYBHLMW-SNVBAGLBSA-N -1 1 345.399 2.819 20 10 EFCDMM C[C@@H](c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1)C(C)(C)C ZINC000762150250 576265946 /nfs/dbraw/zinc/26/59/46/576265946.db2.gz MWTMIXGFRMHSMN-VIFPVBQESA-N -1 1 339.417 2.963 20 10 EFCDMM CCCCOCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764766341 576500686 /nfs/dbraw/zinc/50/06/86/576500686.db2.gz IJWKTVYQGGXOMP-UHFFFAOYSA-N -1 1 345.237 2.771 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCC=CO1 ZINC000764802915 576505549 /nfs/dbraw/zinc/50/55/49/576505549.db2.gz ADQSTHRAKZRWRJ-NSHDSACASA-N -1 1 341.205 2.647 20 10 EFCDMM Cc1cc(NCc2cccc(Br)c2[O-])n2ncnc2n1 ZINC000764934411 576526139 /nfs/dbraw/zinc/52/61/39/576526139.db2.gz LKPXCZQOOICDBJ-UHFFFAOYSA-N -1 1 334.177 2.513 20 10 EFCDMM C[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCC1=O ZINC000765730969 577071112 /nfs/dbraw/zinc/07/11/12/577071112.db2.gz WNBQUIQHCQYVTN-NXEZZACHSA-N -1 1 340.217 2.776 20 10 EFCDMM CC1(OCC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765746570 577072193 /nfs/dbraw/zinc/07/21/93/577072193.db2.gz HQGICHBHSWZIPR-UHFFFAOYSA-N -1 1 328.206 2.730 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(F)c1 ZINC000765751220 577072495 /nfs/dbraw/zinc/07/24/95/577072495.db2.gz AYIISUAKBWCOPA-UHFFFAOYSA-N -1 1 325.137 2.619 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cncc(Cl)n1 ZINC000765942544 577090408 /nfs/dbraw/zinc/09/04/08/577090408.db2.gz DAOPPIKZDJEXQQ-UHFFFAOYSA-N -1 1 342.580 2.528 20 10 EFCDMM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H]2CCCC[C@H]12 ZINC000737751543 577253520 /nfs/dbraw/zinc/25/35/20/577253520.db2.gz MBOHJJHIQQSFJX-UXIGCNINSA-N -1 1 344.415 2.534 20 10 EFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000768192808 577260141 /nfs/dbraw/zinc/26/01/41/577260141.db2.gz UJJIPUIKBIRMNX-CQSZACIVSA-N -1 1 345.270 2.996 20 10 EFCDMM C[C@@H](NCc1nnnn1CC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000769987984 577396645 /nfs/dbraw/zinc/39/66/45/577396645.db2.gz LPZPDSVZWHNDSL-MRVPVSSYSA-N -1 1 342.230 2.946 20 10 EFCDMM COc1ccc(N2CCN(Cc3ccsc3C(=O)[O-])CC2)cc1 ZINC000320702669 601804169 /nfs/dbraw/zinc/80/41/69/601804169.db2.gz PVJDBDYELOUVLD-UHFFFAOYSA-N -1 1 332.425 2.777 20 10 EFCDMM O=C([O-])[C@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000405367060 604646176 /nfs/dbraw/zinc/64/61/76/604646176.db2.gz VRKAUULDPWAOSB-GFCCVEGCSA-N -1 1 340.217 2.841 20 10 EFCDMM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1nncn1C ZINC000708077051 1259608999 /nfs/dbraw/zinc/60/89/99/1259608999.db2.gz OVMQCJXOUIEAOC-ZETCQYMHSA-N -1 1 345.628 2.787 20 10 EFCDMM COc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1OC(C)C ZINC000825440751 1278550482 /nfs/dbraw/zinc/55/04/82/1278550482.db2.gz GZQHUKMTYUBJJL-UHFFFAOYSA-N -1 1 349.358 2.963 20 10 EFCDMM O=C(COC(=O)c1ccncc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000800239576 1275029123 /nfs/dbraw/zinc/02/91/23/1275029123.db2.gz SBBFWAKAWGYTCB-UHFFFAOYSA-N -1 1 341.241 2.551 20 10 EFCDMM Cc1cc2c(cc1C)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CO2 ZINC000786960493 1275590215 /nfs/dbraw/zinc/59/02/15/1275590215.db2.gz OBDCCYZGYKVBOI-AWEZNQCLSA-N -1 1 342.347 2.617 20 10 EFCDMM C[C@H](NCc1ncnn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000786943495 1275599782 /nfs/dbraw/zinc/59/97/82/1275599782.db2.gz ZOZWFWIZRZCNMC-LBPRGKRZSA-N -1 1 339.355 2.732 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000788276892 1276125398 /nfs/dbraw/zinc/12/53/98/1276125398.db2.gz SJAGVEOHNDFSAY-AWEZNQCLSA-N -1 1 335.306 2.590 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000788276894 1276125758 /nfs/dbraw/zinc/12/57/58/1276125758.db2.gz SJAGVEOHNDFSAY-CQSZACIVSA-N -1 1 335.306 2.590 20 10 EFCDMM Cc1cnc(NCC(=O)c2ccc([O-])c(O)c2)c(Br)c1 ZINC001170314541 1279009066 /nfs/dbraw/zinc/00/90/66/1279009066.db2.gz CQZUDVZZDAKFAP-UHFFFAOYSA-N -1 1 337.173 2.859 20 10 EFCDMM O=C(CNc1ncc2cccc(Cl)c2n1)c1ccc([O-])c(O)c1 ZINC001170316130 1279009527 /nfs/dbraw/zinc/00/95/27/1279009527.db2.gz ABSVEIDPZSMDOG-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM CCc1nc(Cl)c(F)c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170315845 1279010191 /nfs/dbraw/zinc/01/01/91/1279010191.db2.gz HVJGTWRYXRHWSB-UHFFFAOYSA-N -1 1 325.727 2.538 20 10 EFCDMM O=C(CNc1cncc(-c2cccs2)n1)c1ccc([O-])c(O)c1 ZINC001170315606 1279010208 /nfs/dbraw/zinc/01/02/08/1279010208.db2.gz BPUGHZSOPBZCEU-UHFFFAOYSA-N -1 1 327.365 2.911 20 10 EFCDMM Cc1cc2c(nc(Cl)nc2NCC(=O)c2ccc([O-])c(O)c2)[nH]1 ZINC001170314677 1279010311 /nfs/dbraw/zinc/01/03/11/1279010311.db2.gz XWKXJXVDJZDYLY-UHFFFAOYSA-N -1 1 332.747 2.577 20 10 EFCDMM CC(C)(C)OC(=O)c1cccnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170321702 1279014750 /nfs/dbraw/zinc/01/47/50/1279014750.db2.gz DHCXNDUTECRTTE-UHFFFAOYSA-N -1 1 344.367 2.743 20 10 EFCDMM COc1ccc2nc(C)cc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001170322215 1279014839 /nfs/dbraw/zinc/01/48/39/1279014839.db2.gz HKLXZTGQUMRPQO-UHFFFAOYSA-N -1 1 338.363 2.680 20 10 EFCDMM C[C@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1ncnn1C ZINC000788986065 1276429027 /nfs/dbraw/zinc/42/90/27/1276429027.db2.gz ZDBTYOBNRMACIX-YUMQZZPRSA-N -1 1 343.200 2.834 20 10 EFCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000819587160 1276830357 /nfs/dbraw/zinc/83/03/57/1276830357.db2.gz XDVDVTHUHPOLEZ-ZDUSSCGKSA-N -1 1 344.386 2.796 20 10 EFCDMM CCN(CCCNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000789946350 1277111630 /nfs/dbraw/zinc/11/16/30/1277111630.db2.gz FDSKZAMGWOUQPC-UHFFFAOYSA-N -1 1 332.375 2.883 20 10 EFCDMM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789977655 1277139509 /nfs/dbraw/zinc/13/95/09/1277139509.db2.gz WSPXLULUIIUNPA-BMIGLBTASA-N -1 1 325.380 2.808 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@]2(CCc3ccccc32)C1 ZINC000789993810 1277154409 /nfs/dbraw/zinc/15/44/09/1277154409.db2.gz GLCYNXYAMXEQFS-LJQANCHMSA-N -1 1 343.354 2.551 20 10 EFCDMM CC(C)(C)c1ccc([C@H](O)CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000790071277 1277208285 /nfs/dbraw/zinc/20/82/85/1277208285.db2.gz STNMGOIZIRLNDT-OAHLLOKOSA-N -1 1 347.386 2.998 20 10 EFCDMM [O-]c1c(Br)cccc1CNc1ccc(-n2cncn2)cn1 ZINC000790247697 1277373844 /nfs/dbraw/zinc/37/38/44/1277373844.db2.gz SYMVAVGCAHMHKP-UHFFFAOYSA-N -1 1 346.188 2.743 20 10 EFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)c(C)c1 ZINC000790415696 1277528340 /nfs/dbraw/zinc/52/83/40/1277528340.db2.gz HXPMYFNXQSRHCZ-UHFFFAOYSA-N -1 1 349.408 2.850 20 10 EFCDMM O=C(CNC(F)(F)Oc1ccnc(Cl)c1)c1ccc([O-])c(O)c1 ZINC001159280354 1287301535 /nfs/dbraw/zinc/30/15/35/1287301535.db2.gz MSDLDFNZHPDCGX-UHFFFAOYSA-N -1 1 344.701 2.548 20 10 EFCDMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)c(O)cc1C(=O)OC ZINC000844664375 1279174011 /nfs/dbraw/zinc/17/40/11/1279174011.db2.gz RCBWTSZBXRNCNO-VIFPVBQESA-N -1 1 333.381 2.638 20 10 EFCDMM CC[C@H](C)[C@@H](OC)C(=O)NCc1cccc(Br)c1[O-] ZINC000793973098 1279965928 /nfs/dbraw/zinc/96/59/28/1279965928.db2.gz YGNWHCPRNGZNCE-TVQRCGJNSA-N -1 1 330.222 2.832 20 10 EFCDMM O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc([O-])c(O)c1 ZINC001144770025 1280102239 /nfs/dbraw/zinc/10/22/39/1280102239.db2.gz WDQOLXZJPWCNAA-UHFFFAOYSA-N -1 1 329.396 2.613 20 10 EFCDMM Cc1ccc2nc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)ccc2c1 ZINC000815395969 1287503949 /nfs/dbraw/zinc/50/39/49/1287503949.db2.gz NUCGWPOOJZUVJH-UHFFFAOYSA-N -1 1 337.331 2.994 20 10 EFCDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000715783406 1284329363 /nfs/dbraw/zinc/32/93/63/1284329363.db2.gz ALRIGVCKCJXSKY-RNCFNFMXSA-N -1 1 330.197 2.905 20 10 EFCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cn1 ZINC000811705858 1284517929 /nfs/dbraw/zinc/51/79/29/1284517929.db2.gz YURBIYSUVAJHAT-UHFFFAOYSA-N -1 1 336.413 2.821 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NOCC1CCC1 ZINC000824092973 1289527802 /nfs/dbraw/zinc/52/78/02/1289527802.db2.gz KVDHPDHPKXIESQ-UHFFFAOYSA-N -1 1 329.194 2.686 20 10 EFCDMM O=C(CCc1ccc(O)c(O)c1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001182154169 1290096173 /nfs/dbraw/zinc/09/61/73/1290096173.db2.gz DNSQNGCYLUSQBD-UHFFFAOYSA-N -1 1 339.351 2.560 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000093900417 1291238016 /nfs/dbraw/zinc/23/80/16/1291238016.db2.gz GVODYLHCUSFGKL-UHFFFAOYSA-N -1 1 340.788 2.669 20 10 EFCDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000093900306 1291238596 /nfs/dbraw/zinc/23/85/96/1291238596.db2.gz QETNUXNIXCKPMI-UHFFFAOYSA-N -1 1 334.397 2.633 20 10 EFCDMM CCc1cccc(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094033937 1291266502 /nfs/dbraw/zinc/26/65/02/1291266502.db2.gz CINPOMDRELVENL-UHFFFAOYSA-N -1 1 348.424 2.887 20 10 EFCDMM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CC[C@]1(O)C(F)(F)F ZINC001233074220 1312849054 /nfs/dbraw/zinc/84/90/54/1312849054.db2.gz LFHROTQTWDENSZ-ISVAXAHUSA-N -1 1 325.277 2.806 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1C[C@H](CO)CC[C@@H]1C(F)(F)F ZINC001233332323 1312905127 /nfs/dbraw/zinc/90/51/27/1312905127.db2.gz HEKLEXBVNYNIPA-PRHODGIISA-N -1 1 325.277 2.806 20 10 EFCDMM COc1ccc(CN2CCN(Cc3c([O-])ccc(F)c3F)CC2)cc1 ZINC001233334655 1312906168 /nfs/dbraw/zinc/90/61/68/1312906168.db2.gz OYJMWASRKLEYCT-UHFFFAOYSA-N -1 1 348.393 2.997 20 10 EFCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2cnn(C)c21 ZINC001233333468 1312906674 /nfs/dbraw/zinc/90/66/74/1312906674.db2.gz WQUFOQVTDGRSLO-LBPRGKRZSA-N -1 1 337.370 2.540 20 10 EFCDMM CCn1cc2c(n1)CN(Cc1c([O-])ccc(F)c1F)C[C@@H]2COC ZINC001233333331 1312906815 /nfs/dbraw/zinc/90/68/15/1312906815.db2.gz RVKAPIKSHVFOFV-LLVKDONJSA-N -1 1 337.370 2.633 20 10 EFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(SC)[n-]c1=O ZINC001191430831 1292540570 /nfs/dbraw/zinc/54/05/70/1292540570.db2.gz MLNXPSULZXOTJC-UHFFFAOYSA-N -1 1 346.456 2.632 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)CO[C@H](C)COC ZINC001233496103 1312942732 /nfs/dbraw/zinc/94/27/32/1312942732.db2.gz PYOKEDCXMCTFDB-VXGBXAGGSA-N -1 1 326.389 2.899 20 10 EFCDMM Cc1cc(C)c(C[N-]S(=O)(=O)C(Cl)(Cl)Cl)c(O)c1 ZINC001192055251 1292765836 /nfs/dbraw/zinc/76/58/36/1292765836.db2.gz QPJYXKKALTVHFT-UHFFFAOYSA-N -1 1 332.636 2.756 20 10 EFCDMM O=C(Nc1cc(Cl)ncc1CO)c1ccc(O)c([O-])c1Cl ZINC001193218601 1293199399 /nfs/dbraw/zinc/19/93/99/1293199399.db2.gz BPUUCWXTZQZOMJ-UHFFFAOYSA-N -1 1 329.139 2.544 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@@H]2C(=O)c3ccccc3[C@@H]2C1 ZINC001193220760 1293201533 /nfs/dbraw/zinc/20/15/33/1293201533.db2.gz WIEKZXOCGCDTAO-STQMWFEESA-N -1 1 343.766 2.803 20 10 EFCDMM Cc1cc(C)c2c(NC(=O)c3ccc(O)c([O-])c3Cl)nn(C)c2n1 ZINC001193220856 1293201907 /nfs/dbraw/zinc/20/19/07/1293201907.db2.gz YOSIRXGFAYFOHD-UHFFFAOYSA-N -1 1 346.774 2.902 20 10 EFCDMM CCCCOC(=O)[C@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193232427 1293205933 /nfs/dbraw/zinc/20/59/33/1293205933.db2.gz JBDFGFQIZZGMNY-JTQLQIEISA-N -1 1 341.791 2.557 20 10 EFCDMM O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(O)c([O-])c1Cl ZINC001193247273 1293213892 /nfs/dbraw/zinc/21/38/92/1293213892.db2.gz RLYUOBQVOMXYHB-SNVBAGLBSA-N -1 1 349.770 2.711 20 10 EFCDMM CN1C(=O)Cc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc21 ZINC001193230600 1293226739 /nfs/dbraw/zinc/22/67/39/1293226739.db2.gz XHYNNWNEHUNBDC-UHFFFAOYSA-N -1 1 332.743 2.522 20 10 EFCDMM CC(C)(C)OC(=O)Cn1cc(NCc2cc(F)cc(F)c2[O-])cn1 ZINC000883152144 1293482369 /nfs/dbraw/zinc/48/23/69/1293482369.db2.gz KQXRNQOESGSYHZ-UHFFFAOYSA-N -1 1 339.342 2.821 20 10 EFCDMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000867126086 1294008732 /nfs/dbraw/zinc/00/87/32/1294008732.db2.gz UOBPLFSKWGFTDY-NSHDSACASA-N -1 1 325.459 2.557 20 10 EFCDMM CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276354307 1294571575 /nfs/dbraw/zinc/57/15/75/1294571575.db2.gz PYGGOQUSKLFUFC-OWCLPIDISA-N -1 1 342.414 2.839 20 10 EFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H](C)[S@@]1=O ZINC000796368708 1294571873 /nfs/dbraw/zinc/57/18/73/1294571873.db2.gz WIGSUSCRNCYNAX-CZTUFZMGSA-N -1 1 343.876 2.980 20 10 EFCDMM Cc1cccc(C)c1NC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001198376953 1295017191 /nfs/dbraw/zinc/01/71/91/1295017191.db2.gz BOJMPYNKOJMIHM-UHFFFAOYSA-N -1 1 330.409 2.884 20 10 EFCDMM COC(=O)[C@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccc(F)cc1 ZINC001234473340 1313135563 /nfs/dbraw/zinc/13/55/63/1313135563.db2.gz DLUMNHAGZVRPOE-MRXNPFEDSA-N -1 1 334.299 2.733 20 10 EFCDMM CCOC(=O)C(F)(F)[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474340 1313136581 /nfs/dbraw/zinc/13/65/81/1313136581.db2.gz RJHHGLWHBIAVCC-ZDUSSCGKSA-N -1 1 332.299 2.656 20 10 EFCDMM O=C(CNC(=S)Nc1ccccc1Cl)c1ccc([O-])c(O)c1 ZINC001200866544 1296486608 /nfs/dbraw/zinc/48/66/08/1296486608.db2.gz NIFRBXZHCWTUOQ-UHFFFAOYSA-N -1 1 336.800 2.921 20 10 EFCDMM [O-]c1c(Br)cc(F)cc1CN1CCC2(CC1)OCCO2 ZINC001235293306 1313283377 /nfs/dbraw/zinc/28/33/77/1313283377.db2.gz HLBNVJGTNFNMSX-UHFFFAOYSA-N -1 1 346.196 2.633 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C2OCCO2)c1[O-] ZINC000933902231 1297520465 /nfs/dbraw/zinc/52/04/65/1297520465.db2.gz BGPPGPHLAMWIBF-AWEZNQCLSA-N -1 1 325.792 2.586 20 10 EFCDMM Cn1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1=O ZINC001206114790 1313406942 /nfs/dbraw/zinc/40/69/42/1313406942.db2.gz PNCICVLIQKRAIP-UHFFFAOYSA-N -1 1 346.342 2.610 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCCC(=O)[C@H](F)C2)c1 ZINC001236662618 1313504809 /nfs/dbraw/zinc/50/48/09/1313504809.db2.gz GFZWFPYSGRGVLV-GFCCVEGCSA-N -1 1 330.197 2.966 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCC(=O)C(F)(F)C2)c1 ZINC001236669470 1313506096 /nfs/dbraw/zinc/50/60/96/1313506096.db2.gz MKQLOPOCQYKEGU-UHFFFAOYSA-N -1 1 334.160 2.873 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCc3ncn(C)c3C2)c1 ZINC001236668875 1313507114 /nfs/dbraw/zinc/50/71/14/1313507114.db2.gz FOXYGLOCLVQPQT-UHFFFAOYSA-N -1 1 336.233 2.755 20 10 EFCDMM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCC1=O ZINC001236793146 1313530035 /nfs/dbraw/zinc/53/00/35/1313530035.db2.gz IGMIAQSLMJJEBK-SNVBAGLBSA-N -1 1 346.210 2.653 20 10 EFCDMM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236796822 1313530109 /nfs/dbraw/zinc/53/01/09/1313530109.db2.gz REVOBEJKHCADRC-CQSZACIVSA-N -1 1 346.210 2.796 20 10 EFCDMM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1c([O-])cc(OC)cc1Cl ZINC001236796338 1313530263 /nfs/dbraw/zinc/53/02/63/1313530263.db2.gz UCJQDUCCAABCBV-MGPLVRAMSA-N -1 1 325.792 2.582 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(c2cccnn2)CC1 ZINC001236795966 1313530304 /nfs/dbraw/zinc/53/03/04/1313530304.db2.gz LQCSXIVYNYNEBI-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM COc1ccc(CN2CCN(c3cccnc3)CC2)c([O-])c1Cl ZINC001236803473 1313532019 /nfs/dbraw/zinc/53/20/19/1313532019.db2.gz UVCMOHCXYIKROJ-UHFFFAOYSA-N -1 1 333.819 2.771 20 10 EFCDMM COc1ccc(C[N@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1Cl ZINC001236809914 1313533777 /nfs/dbraw/zinc/53/37/77/1313533777.db2.gz OYFLDYFGWGFQAB-ZDUSSCGKSA-N -1 1 349.818 2.806 20 10 EFCDMM CCOC(=O)[C@H]1C(=O)CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237081597 1313584231 /nfs/dbraw/zinc/58/42/31/1313584231.db2.gz MMCJNKWNONZXKZ-CQSZACIVSA-N -1 1 346.210 2.796 20 10 EFCDMM COC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2ncn(C)c21 ZINC001237120461 1313590485 /nfs/dbraw/zinc/59/04/85/1313590485.db2.gz DPNIMABIBAWZDX-SNVBAGLBSA-N -1 1 339.798 2.664 20 10 EFCDMM CC(C)O[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000796417419 1299827066 /nfs/dbraw/zinc/82/70/66/1299827066.db2.gz RMGDDHSSRCRFNQ-GOSISDBHSA-N -1 1 344.363 2.990 20 10 EFCDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000776748526 1300611266 /nfs/dbraw/zinc/61/12/66/1300611266.db2.gz NAAKEANXFCIWFW-UHFFFAOYSA-N -1 1 335.381 2.678 20 10 EFCDMM O=C(NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1)C1CC1 ZINC001237812187 1313711336 /nfs/dbraw/zinc/71/13/36/1313711336.db2.gz DUIOTFAPTLUFKU-UHFFFAOYSA-N -1 1 326.799 2.675 20 10 EFCDMM O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)C1=S=CC([O-])=C1 ZINC000854980184 1300755386 /nfs/dbraw/zinc/75/53/86/1300755386.db2.gz DATRWEUUPZMMLE-UHFFFAOYSA-N -1 1 336.438 2.682 20 10 EFCDMM CC(C)(C)C(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237939346 1313733856 /nfs/dbraw/zinc/73/38/56/1313733856.db2.gz AWBOPYFCYXFAIN-UHFFFAOYSA-N -1 1 328.815 2.875 20 10 EFCDMM CC(C)C(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237938095 1313734154 /nfs/dbraw/zinc/73/41/54/1313734154.db2.gz XROWMDKARPSYSG-UHFFFAOYSA-N -1 1 328.815 2.921 20 10 EFCDMM Cc1cc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)ncn1 ZINC001237941550 1313734509 /nfs/dbraw/zinc/73/45/09/1313734509.db2.gz YSBBVRGRLOANTI-UHFFFAOYSA-N -1 1 336.798 2.605 20 10 EFCDMM Cc1ccc(CO[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000859828247 1301591327 /nfs/dbraw/zinc/59/13/27/1301591327.db2.gz SUTWAASHUQBQOA-ZDUSSCGKSA-N -1 1 344.363 2.737 20 10 EFCDMM CCCSC[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864506417 1302954007 /nfs/dbraw/zinc/95/40/07/1302954007.db2.gz PQTLAUZIDSPKGY-LLVKDONJSA-N -1 1 348.262 2.841 20 10 EFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900400639 1308129372 /nfs/dbraw/zinc/12/93/72/1308129372.db2.gz PPGCLASKZKUMEI-UHFFFAOYSA-N -1 1 340.427 2.788 20 10 EFCDMM COc1ncc(-c2ccc3ccn(C)c3c2)cc1[N-]S(C)(=O)=O ZINC001244795117 1314413941 /nfs/dbraw/zinc/41/39/41/1314413941.db2.gz XLUABKWWNIVFSY-UHFFFAOYSA-N -1 1 331.397 2.620 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC)c(C)c1C ZINC000901704306 1310908534 /nfs/dbraw/zinc/90/85/34/1310908534.db2.gz PTMSLTZYKBKDSI-UHFFFAOYSA-N -1 1 337.397 2.827 20 10 EFCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC)c(C)c1 ZINC000901704767 1310910288 /nfs/dbraw/zinc/91/02/88/1310910288.db2.gz WYVRZJRPKQUKLG-UHFFFAOYSA-N -1 1 337.397 2.909 20 10 EFCDMM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(F)c(O)cc2Cl)c1 ZINC000901963888 1311248667 /nfs/dbraw/zinc/24/86/67/1311248667.db2.gz ZFUKXEFJJUFEEA-UHFFFAOYSA-N -1 1 347.799 2.838 20 10 EFCDMM Cc1cc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)cc(Cl)n1 ZINC001159272813 1311483785 /nfs/dbraw/zinc/48/37/85/1311483785.db2.gz QKIXKZJKEBBPQN-UHFFFAOYSA-N -1 1 342.729 2.976 20 10 EFCDMM CSc1nc(Cl)cc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159272867 1311483972 /nfs/dbraw/zinc/48/39/72/1311483972.db2.gz QPFIZKCOPIMKTH-UHFFFAOYSA-N -1 1 325.777 2.558 20 10 EFCDMM O=C(CNC(F)(F)c1cccc(Cl)n1)c1ccc([O-])c(O)c1 ZINC001159271988 1311484210 /nfs/dbraw/zinc/48/42/10/1311484210.db2.gz HZZWAVOIJJVLTH-UHFFFAOYSA-N -1 1 328.702 2.668 20 10 EFCDMM Cc1c[nH]c2nc(Cl)nc(NCC(=O)c3ccc([O-])c(O)c3)c12 ZINC001159276352 1311484555 /nfs/dbraw/zinc/48/45/55/1311484555.db2.gz HEQSEJMKIZXOFI-UHFFFAOYSA-N -1 1 332.747 2.626 20 10 EFCDMM CC[C@@H](COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)OC ZINC001227578373 1311824447 /nfs/dbraw/zinc/82/44/47/1311824447.db2.gz SUKFRVYAWCAAPP-NSHDSACASA-N -1 1 326.348 2.971 20 10 EFCDMM CC(C)N1CC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227581151 1311824688 /nfs/dbraw/zinc/82/46/88/1311824688.db2.gz XQDAKAQGUCLSFE-UHFFFAOYSA-N -1 1 337.375 2.639 20 10 EFCDMM CC[C@@H](COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)OC ZINC001228112386 1311900745 /nfs/dbraw/zinc/90/07/45/1311900745.db2.gz YYVJRPDZNIOXSP-ZDUSSCGKSA-N -1 1 332.352 2.838 20 10 EFCDMM C[C@H]1COCC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228107995 1311900880 /nfs/dbraw/zinc/90/08/80/1311900880.db2.gz ACCIKFYCXDMTBA-ZBEGNZNMSA-N -1 1 344.363 2.838 20 10 EFCDMM CC[C@H](COc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)OC ZINC001229197048 1312060308 /nfs/dbraw/zinc/06/03/08/1312060308.db2.gz MFRHPYCXHLCYSC-SNVBAGLBSA-N -1 1 342.347 2.677 20 10 EFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@H]1C=CCC1 ZINC001229791271 1312140592 /nfs/dbraw/zinc/14/05/92/1312140592.db2.gz MKGVIRWNRFYKCC-JTQLQIEISA-N -1 1 344.319 2.543 20 10 EFCDMM O=C([O-])c1ccc(CN2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001231451868 1312500000 /nfs/dbraw/zinc/50/00/00/1312500000.db2.gz XXDQYTKUNUIEJH-UHFFFAOYSA-N -1 1 344.386 2.547 20 10 EFCDMM O=C([O-])c1ccc(CN2CCc3nn(-c4ccccc4)cc3C2)c(O)c1 ZINC001231453032 1312500496 /nfs/dbraw/zinc/50/04/96/1312500496.db2.gz DOJDEZVNVWWKPW-UHFFFAOYSA-N -1 1 349.390 2.834 20 10 EFCDMM C[C@@]1(c2ccc(F)cc2)CN(Cc2ccc(C(=O)[O-])cc2O)CCO1 ZINC001231454742 1312501295 /nfs/dbraw/zinc/50/12/95/1312501295.db2.gz IWPKICZVBNWSMK-IBGZPJMESA-N -1 1 345.370 2.977 20 10 EFCDMM CCOC[C@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cnn(C)c21 ZINC001231909710 1312586305 /nfs/dbraw/zinc/58/63/05/1312586305.db2.gz FGRQLXJEYRCESI-CQSZACIVSA-N -1 1 335.835 2.915 20 10 EFCDMM [O-]c1c(Cl)cccc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001231914213 1312587259 /nfs/dbraw/zinc/58/72/59/1312587259.db2.gz IDLGNSZTBRRPIF-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM CN(c1c(Cl)ccc([O-])c1F)S(=O)(=O)Cc1ccc(N)cc1 ZINC001214558972 1314707490 /nfs/dbraw/zinc/70/74/90/1314707490.db2.gz AVWQTURFVDQPRX-UHFFFAOYSA-N -1 1 344.795 2.733 20 10 EFCDMM Cc1cnc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])nc1C ZINC001251383789 1315344649 /nfs/dbraw/zinc/34/46/49/1315344649.db2.gz HJQNQDPFDDPUGC-UHFFFAOYSA-N -1 1 348.211 2.907 20 10 EFCDMM Cc1ccc2c(c1[N-]S(=O)(=O)C(C)C)C(=O)c1ccccc1C2=O ZINC001252513652 1315460928 /nfs/dbraw/zinc/46/09/28/1315460928.db2.gz JZAAJXLPAHOSSU-UHFFFAOYSA-N -1 1 343.404 2.921 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(Cc2cccnc2)CC1 ZINC000827726069 1316013157 /nfs/dbraw/zinc/01/31/57/1316013157.db2.gz SXADXRXXUZSGRJ-UHFFFAOYSA-N -1 1 330.359 2.727 20 10 EFCDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1O ZINC001259090524 1316207784 /nfs/dbraw/zinc/20/77/84/1316207784.db2.gz ANEMMOUUFPACMQ-UHFFFAOYSA-N -1 1 327.308 2.674 20 10 EFCDMM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)C1CCCC1 ZINC001259802283 1316280740 /nfs/dbraw/zinc/28/07/40/1316280740.db2.gz CPSDWLLZALONGK-UHFFFAOYSA-N -1 1 330.409 2.997 20 10 EFCDMM COc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1Cl ZINC001260440717 1316338594 /nfs/dbraw/zinc/33/85/94/1316338594.db2.gz HFCJSDRHDIKMDN-UHFFFAOYSA-N -1 1 339.760 2.686 20 10 EFCDMM CSc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(F)c1 ZINC001260442067 1316338839 /nfs/dbraw/zinc/33/88/39/1316338839.db2.gz ITWKLSHAPKMLQH-UHFFFAOYSA-N -1 1 339.373 2.885 20 10 EFCDMM O=S(=O)(Nc1ccc([S-])cc1)c1ccc(Cl)c2nonc21 ZINC001261072950 1316388002 /nfs/dbraw/zinc/38/80/02/1316388002.db2.gz LOAAONACHDYMIQ-UHFFFAOYSA-N -1 1 341.801 2.966 20 10 EFCDMM C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000399042843 1316423668 /nfs/dbraw/zinc/42/36/68/1316423668.db2.gz CQPPTTYCPZALGW-KOLCDFICSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000399042843 1316423672 /nfs/dbraw/zinc/42/36/72/1316423672.db2.gz CQPPTTYCPZALGW-KOLCDFICSA-N -1 1 328.206 2.697 20 10 EFCDMM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1c(C)noc1Cl ZINC001333969916 1321937796 /nfs/dbraw/zinc/93/77/96/1321937796.db2.gz RZRAMDZSIZTUOZ-UHFFFAOYSA-N -1 1 329.780 2.687 20 10 EFCDMM CN(C)c1ccc(CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1F ZINC000901965058 1324763188 /nfs/dbraw/zinc/76/31/88/1324763188.db2.gz IYKHYQHAQZKBBI-QWRGUYRKSA-N -1 1 334.313 2.587 20 10 EFCDMM COC(=O)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC(C)C ZINC001340274759 1324924836 /nfs/dbraw/zinc/92/48/36/1324924836.db2.gz VWOURHHQZSNVQU-UHFFFAOYSA-N -1 1 327.808 2.879 20 10 EFCDMM Cc1ccc2c(c1)S[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C2 ZINC001320874278 1329312820 /nfs/dbraw/zinc/31/28/20/1329312820.db2.gz ORBXEKSKYXHFQD-KRWDZBQOSA-N -1 1 344.388 2.849 20 10 EFCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)c(F)c1 ZINC001321311803 1329371250 /nfs/dbraw/zinc/37/12/50/1329371250.db2.gz OMZWNOGSVBEGBI-SECBINFHSA-N -1 1 336.290 2.906 20 10 EFCDMM CC(C)n1ncc2c1[C@H](NC(=O)c1c(F)ccc(O)c1[O-])CCC2 ZINC001324488952 1329632713 /nfs/dbraw/zinc/63/27/13/1329632713.db2.gz RIDHOCUGBRAQKO-GFCCVEGCSA-N -1 1 333.363 2.822 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(n2cc(Cl)cn2)CC1 ZINC001344123065 1332403801 /nfs/dbraw/zinc/40/38/01/1332403801.db2.gz DXPKKUQSRHWLPA-UHFFFAOYSA-N -1 1 339.754 2.564 20 10 EFCDMM CCN(CC)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000736531990 1428976699 /nfs/dbraw/zinc/97/66/99/1428976699.db2.gz OMMPXUDVYZPWBD-UHFFFAOYSA-N -1 1 341.394 2.859 20 10 EFCDMM COc1ccc(N(C)CCOc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821827716 1426116472 /nfs/dbraw/zinc/11/64/72/1426116472.db2.gz JJUPLGJRGIQZTK-UHFFFAOYSA-N -1 1 343.362 2.530 20 10 EFCDMM Cc1cc(C(=O)N2CCCC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233295 1441547594 /nfs/dbraw/zinc/54/75/94/1441547594.db2.gz DHXWZGQCKSACDH-UHFFFAOYSA-N -1 1 336.399 2.510 20 10 EFCDMM Cc1cc(N(C)C)ccc1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000737270659 1441679824 /nfs/dbraw/zinc/67/98/24/1441679824.db2.gz OEKSLXPUIHRZFC-UHFFFAOYSA-N -1 1 326.379 2.992 20 10 EFCDMM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc(N(C)C)cc2C)n1 ZINC000737239793 1447267211 /nfs/dbraw/zinc/26/72/11/1447267211.db2.gz GNGITBXSGILCBK-UHFFFAOYSA-N -1 1 337.431 2.865 20 10 EFCDMM COc1ccc2c(c1)CCCN2Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737118862 1447291434 /nfs/dbraw/zinc/29/14/34/1447291434.db2.gz IOXKHJFKBPVOAT-UHFFFAOYSA-N -1 1 339.374 2.967 20 10 EFCDMM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000736779664 1449014182 /nfs/dbraw/zinc/01/41/82/1449014182.db2.gz LHEJCYPMQQTURK-UHFFFAOYSA-N -1 1 330.342 2.823 20 10 EFCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000318213330 716729708 /nfs/dbraw/zinc/72/97/08/716729708.db2.gz GTASUSVQSKNTNE-UHFFFAOYSA-N -1 1 345.735 2.684 20 10 EFCDMM O=C1N[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]2CO1 ZINC000281340351 719384254 /nfs/dbraw/zinc/38/42/54/719384254.db2.gz SRKTYQVOKPRWNR-PELKAZGASA-N -1 1 331.199 2.629 20 10 EFCDMM COc1ccc(N2CCC(NC(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC000181204263 720013832 /nfs/dbraw/zinc/01/38/32/720013832.db2.gz UELWVNOKDFIJCH-UHFFFAOYSA-N -1 1 344.386 2.939 20 10 EFCDMM CN(Cc1cnn(C)c1)Cc1cc(Br)cc(F)c1[O-] ZINC000893909461 720155539 /nfs/dbraw/zinc/15/55/39/720155539.db2.gz OBFJCARKWWSHSJ-UHFFFAOYSA-N -1 1 328.185 2.659 20 10 EFCDMM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893949553 720179658 /nfs/dbraw/zinc/17/96/58/720179658.db2.gz NEDCGQZGIRLNLP-MRVPVSSYSA-N -1 1 348.624 2.803 20 10 EFCDMM COCCO[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894530772 722773548 /nfs/dbraw/zinc/77/35/48/722773548.db2.gz MHKKITQNDMVTNJ-LBPRGKRZSA-N -1 1 348.212 2.531 20 10 EFCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCOC1 ZINC000730260772 725563123 /nfs/dbraw/zinc/56/31/23/725563123.db2.gz UQNHJJVFIQKFAW-AWEZNQCLSA-N -1 1 327.380 2.550 20 10 EFCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCOC1 ZINC000730260772 725563125 /nfs/dbraw/zinc/56/31/25/725563125.db2.gz UQNHJJVFIQKFAW-AWEZNQCLSA-N -1 1 327.380 2.550 20 10 EFCDMM Cc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916590458 727698815 /nfs/dbraw/zinc/69/88/15/727698815.db2.gz CDRKUMKJNRIGCP-UHFFFAOYSA-N -1 1 342.347 2.795 20 10 EFCDMM Cc1ccc(O[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916590614 727698925 /nfs/dbraw/zinc/69/89/25/727698925.db2.gz BNHCFBFQUNQLIZ-LBPRGKRZSA-N -1 1 330.336 2.600 20 10 EFCDMM Cc1ccc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC000916590214 727698956 /nfs/dbraw/zinc/69/89/56/727698956.db2.gz JXFFQQSVMUJAMS-UHFFFAOYSA-N -1 1 330.336 2.520 20 10 EFCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc([N+](=O)[O-])c1F ZINC000154271573 727764929 /nfs/dbraw/zinc/76/49/29/727764929.db2.gz MOFUDCCCTMNIGL-UHFFFAOYSA-N -1 1 326.305 2.549 20 10 EFCDMM C[C@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CC[C@H]1C(=O)[O-] ZINC000691422293 954683365 /nfs/dbraw/zinc/68/33/65/954683365.db2.gz NFFNAKLWXNPTPB-JOYOIKCWSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CC[C@H]1C(=O)[O-] ZINC000691422293 954683369 /nfs/dbraw/zinc/68/33/69/954683369.db2.gz NFFNAKLWXNPTPB-JOYOIKCWSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H](C[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000708107157 954990651 /nfs/dbraw/zinc/99/06/51/954990651.db2.gz XMVZTPQHROKKLV-ZETCQYMHSA-N -1 1 336.613 2.961 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)c1[O-] ZINC001588527982 958876133 /nfs/dbraw/zinc/87/61/33/958876133.db2.gz JGJKCTIHQRVBSN-HNNXBMFYSA-N -1 1 335.306 2.789 20 10 EFCDMM C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994232 968984333 /nfs/dbraw/zinc/98/43/33/968984333.db2.gz WLBSPMYCZSXETL-KOLCDFICSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994232 968984338 /nfs/dbraw/zinc/98/43/38/968984338.db2.gz WLBSPMYCZSXETL-KOLCDFICSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706674447 969018384 /nfs/dbraw/zinc/01/83/84/969018384.db2.gz ZFLUMEJIKFUCOU-VHSXEESVSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706674447 969018396 /nfs/dbraw/zinc/01/83/96/969018396.db2.gz ZFLUMEJIKFUCOU-VHSXEESVSA-N -1 1 328.206 2.697 20 10 EFCDMM Cc1cc(Br)cc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])c1O ZINC000844933789 969248324 /nfs/dbraw/zinc/24/83/24/969248324.db2.gz HXTRDOZZIIOUIL-BXKDBHETSA-N -1 1 328.206 2.901 20 10 EFCDMM CC[C@H]([NH2+]CC1(C(=O)[O-])CCOCC1)c1cc(Cl)ccc1[O-] ZINC001603585617 973752026 /nfs/dbraw/zinc/75/20/26/973752026.db2.gz JLBKIOJMIKWCBS-ZDUSSCGKSA-N -1 1 327.808 2.968 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1c([O-])cccc1Br ZINC000706649737 977356825 /nfs/dbraw/zinc/35/68/25/977356825.db2.gz VGPBARAYDLBGRH-RBZYPMLTSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1c([O-])cccc1Br ZINC000706649737 977356830 /nfs/dbraw/zinc/35/68/30/977356830.db2.gz VGPBARAYDLBGRH-RBZYPMLTSA-N -1 1 340.217 2.840 20 10 EFCDMM C[C@](CC(=O)[O-])([NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC001592327828 977743379 /nfs/dbraw/zinc/74/33/79/977743379.db2.gz FQYFFTUSXOFMNI-CQSZACIVSA-N -1 1 328.206 2.888 20 10 EFCDMM CCOCCC[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H](C)C(=O)[O-] ZINC001596914600 985929677 /nfs/dbraw/zinc/92/96/77/985929677.db2.gz CHLPBBCIDAPHEG-LLVKDONJSA-N -1 1 331.359 2.620 20 10 EFCDMM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(F)c(F)cc1[O-] ZINC001598523818 992693766 /nfs/dbraw/zinc/69/37/66/992693766.db2.gz PFGCTKXJFYICRO-UHFFFAOYSA-N -1 1 337.322 2.766 20 10 EFCDMM C[C@@H]([NH2+][C@H]1CC=C(C(=O)[O-])C1)c1cc(Br)ccc1[O-] ZINC001593219140 994295951 /nfs/dbraw/zinc/29/59/51/994295951.db2.gz KCOMFBZYBWPBIY-KCJUWKMLSA-N -1 1 326.190 2.979 20 10 EFCDMM C[C@H](NCc1occc1C(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593317876 994825032 /nfs/dbraw/zinc/82/50/32/994825032.db2.gz WAWQIJWUZPAOTD-ZDUSSCGKSA-N -1 1 330.384 2.665 20 10 EFCDMM COc1ccc([C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])C(=O)[O-])cc1O ZINC001599530331 997637717 /nfs/dbraw/zinc/63/77/17/997637717.db2.gz BSWGJWCKHMVZHE-OAHLLOKOSA-N -1 1 337.759 2.675 20 10 EFCDMM CO[C@@H](CC(C)C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001599045275 999146661 /nfs/dbraw/zinc/14/66/61/999146661.db2.gz NUDFXJJKJCAHDE-AWEZNQCLSA-N -1 1 329.824 2.993 20 10 EFCDMM CO[C@@H](CC(C)C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001599045275 999146662 /nfs/dbraw/zinc/14/66/62/999146662.db2.gz NUDFXJJKJCAHDE-AWEZNQCLSA-N -1 1 329.824 2.993 20 10 EFCDMM CO[C@@H](CC(C)C)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001599045275 999146665 /nfs/dbraw/zinc/14/66/65/999146665.db2.gz NUDFXJJKJCAHDE-AWEZNQCLSA-N -1 1 329.824 2.993 20 10 EFCDMM C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@@H](C(=O)[O-])C1 ZINC001594422684 999575364 /nfs/dbraw/zinc/57/53/64/999575364.db2.gz HMQJKSDSJUMRNA-BXKDBHETSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@@H](C(=O)[O-])C1 ZINC001594422684 999575368 /nfs/dbraw/zinc/57/53/68/999575368.db2.gz HMQJKSDSJUMRNA-BXKDBHETSA-N -1 1 328.206 2.840 20 10 EFCDMM CCCN(Cc1ccccc1O)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590632821 1093525075 /nfs/dbraw/zinc/52/50/75/1093525075.db2.gz VQZZHQOOAWLAOT-UHFFFAOYSA-N -1 1 343.412 2.686 20 10 EFCDMM COc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC001591609003 1093795002 /nfs/dbraw/zinc/79/50/02/1093795002.db2.gz XGHOCPAFTPKTFN-UHFFFAOYSA-N -1 1 330.779 2.560 20 10 EFCDMM COc1ccc(N(C)Cc2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC001591609003 1093795009 /nfs/dbraw/zinc/79/50/09/1093795009.db2.gz XGHOCPAFTPKTFN-UHFFFAOYSA-N -1 1 330.779 2.560 20 10 EFCDMM Cc1cc(SCC(=O)c2ccc([O-])c(O)c2)ccc1-c1nn[nH]n1 ZINC001592066984 1093972199 /nfs/dbraw/zinc/97/21/99/1093972199.db2.gz JSFILBDQCVKHHJ-UHFFFAOYSA-N -1 1 342.380 2.561 20 10 EFCDMM Cc1ccc(NCc2ccc(N3CCCC3)cc2)nc1-c1nnn[n-]1 ZINC001592185306 1094022584 /nfs/dbraw/zinc/02/25/84/1094022584.db2.gz WKHKPAWMRXCTSH-UHFFFAOYSA-N -1 1 335.415 2.782 20 10 EFCDMM Cc1ccc(NCc2ccc(N3CCCC3)cc2)nc1-c1nn[n-]n1 ZINC001592185306 1094022591 /nfs/dbraw/zinc/02/25/91/1094022591.db2.gz WKHKPAWMRXCTSH-UHFFFAOYSA-N -1 1 335.415 2.782 20 10 EFCDMM Cc1cc([O-])c(C[NH2+][C@@H](C[C@H]2CCCOC2)C(=O)[O-])cc1Cl ZINC001600285697 1094945369 /nfs/dbraw/zinc/94/53/69/1094945369.db2.gz GDPZHKIAYCPNIP-RISCZKNCSA-N -1 1 327.808 2.714 20 10 EFCDMM CC(C)(C)C(=O)NC1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139687525 1095415468 /nfs/dbraw/zinc/41/54/68/1095415468.db2.gz ODERCQSTGFAJFR-UHFFFAOYSA-N -1 1 326.387 2.797 20 10 EFCDMM O=C([O-])[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001601640076 1095779119 /nfs/dbraw/zinc/77/91/19/1095779119.db2.gz IOAONGJQNPZMCC-MRVPVSSYSA-N -1 1 342.111 2.650 20 10 EFCDMM O=C([O-])[C@@H](CC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC001601640022 1095779732 /nfs/dbraw/zinc/77/97/32/1095779732.db2.gz GRDWZVBKFRBOHA-MRVPVSSYSA-N -1 1 342.111 2.650 20 10 EFCDMM O=C([O-])C1([C@@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CCC1 ZINC001601706128 1095852768 /nfs/dbraw/zinc/85/27/68/1095852768.db2.gz MOVLGZSDNQVNGP-QGZVFWFLSA-N -1 1 339.819 2.627 20 10 EFCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@@H]1c1ccccc1 ZINC001602188927 1096108506 /nfs/dbraw/zinc/10/85/06/1096108506.db2.gz NGACLPQJWGJEQI-ZIAGYGMSSA-N -1 1 333.334 2.971 20 10 EFCDMM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@@H]21 ZINC001602204089 1096116481 /nfs/dbraw/zinc/11/64/81/1096116481.db2.gz HURDAJPLRLCSSD-FVGIMDHTSA-N -1 1 327.380 2.780 20 10 EFCDMM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)C[C@@H]21 ZINC001602204089 1096116485 /nfs/dbraw/zinc/11/64/85/1096116485.db2.gz HURDAJPLRLCSSD-FVGIMDHTSA-N -1 1 327.380 2.780 20 10 EFCDMM O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)C[C@@H]21 ZINC001602204089 1096116488 /nfs/dbraw/zinc/11/64/88/1096116488.db2.gz HURDAJPLRLCSSD-FVGIMDHTSA-N -1 1 327.380 2.780 20 10 EFCDMM O=C([O-])c1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c[nH]1 ZINC001602256753 1096142880 /nfs/dbraw/zinc/14/28/80/1096142880.db2.gz KKPBOWKJXQUTDK-HNNXBMFYSA-N -1 1 330.384 2.600 20 10 EFCDMM C[C@H](C(=O)[O-])[N@H+](Cc1cc(Br)ccc1[O-])C1CCC1 ZINC001603199213 1096471367 /nfs/dbraw/zinc/47/13/67/1096471367.db2.gz WMYMPHOAGHDIHC-SECBINFHSA-N -1 1 328.206 2.982 20 10 EFCDMM C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Br)ccc1[O-])C1CCC1 ZINC001603199213 1096471375 /nfs/dbraw/zinc/47/13/75/1096471375.db2.gz WMYMPHOAGHDIHC-SECBINFHSA-N -1 1 328.206 2.982 20 10 EFCDMM CC[C@@H](Nc1cnn(CC(F)F)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604063785 1096716235 /nfs/dbraw/zinc/71/62/35/1096716235.db2.gz MSLCNSBYEZSDKN-GFCCVEGCSA-N -1 1 349.345 2.597 20 10 EFCDMM C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001604346383 1096821530 /nfs/dbraw/zinc/82/15/30/1096821530.db2.gz FDVKPOAFXXQHCD-GFCCVEGCSA-N -1 1 348.374 2.804 20 10 EFCDMM C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001604346932 1096822309 /nfs/dbraw/zinc/82/23/09/1096822309.db2.gz UYABQMREVLNKHR-ZDUSSCGKSA-N -1 1 330.384 2.665 20 10 EFCDMM CO[C@@H]1CCC[C@H]([C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])C1 ZINC001606739392 1097449004 /nfs/dbraw/zinc/44/90/04/1097449004.db2.gz JGHLPLONUVWWAG-PSOPSSQASA-N -1 1 327.808 2.794 20 10 EFCDMM CC(C)(C)c1nc(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cs1 ZINC000783388815 1098090801 /nfs/dbraw/zinc/09/08/01/1098090801.db2.gz MJGJFHBIFLVLHA-UHFFFAOYSA-N -1 1 349.408 2.820 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(C(=O)[O-])c2ccc(F)cc2)c1[O-] ZINC001609628781 1098409102 /nfs/dbraw/zinc/40/91/02/1098409102.db2.gz WTXXPFNSQWKPDN-GOSISDBHSA-N -1 1 349.333 2.963 20 10 EFCDMM C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc(Br)c1[O-])C1CCC1 ZINC001609641831 1098412845 /nfs/dbraw/zinc/41/28/45/1098412845.db2.gz UGRWRGZHPCBNMD-VIFPVBQESA-N -1 1 328.206 2.982 20 10 EFCDMM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001609811151 1098465954 /nfs/dbraw/zinc/46/59/54/1098465954.db2.gz KULJVQIHUWQFOM-CQSZACIVSA-N -1 1 328.752 2.641 20 10 EFCDMM COc1cccc(O)c1C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001610356928 1098637361 /nfs/dbraw/zinc/63/73/61/1098637361.db2.gz PYMCKBJWQJQAMQ-LJQANCHMSA-N -1 1 327.380 2.629 20 10 EFCDMM O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC001610765861 1098873080 /nfs/dbraw/zinc/87/30/80/1098873080.db2.gz HRVNMGKMBGOVJA-JTQLQIEISA-N -1 1 346.246 2.547 20 10 EFCDMM O=C(C[C@@H]1CCc2ccccc21)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783681096 1103775222 /nfs/dbraw/zinc/77/52/22/1103775222.db2.gz DTUYDVNJZVRZMN-ZDUSSCGKSA-N -1 1 326.348 2.944 20 10 EFCDMM O=C1c2ccccc2[C@H]2CN(Cc3cc(F)c(F)cc3[O-])CCN12 ZINC001142512639 1106053523 /nfs/dbraw/zinc/05/35/23/1106053523.db2.gz GYBXKXKGHJHMCV-MRXNPFEDSA-N -1 1 330.334 2.683 20 10 EFCDMM COC(=O)[C@H](Cc1ccccc1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001142527231 1106182851 /nfs/dbraw/zinc/18/28/51/1106182851.db2.gz PCCPGZATEDPQCU-INIZCTEOSA-N -1 1 335.350 2.887 20 10 EFCDMM CO[C@H]1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC001120637009 1106979682 /nfs/dbraw/zinc/97/96/82/1106979682.db2.gz XNZSXBKJIKFIAL-PWSUYJOCSA-N -1 1 328.206 2.586 20 10 EFCDMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784313635 1108145414 /nfs/dbraw/zinc/14/54/14/1108145414.db2.gz NQBBYORLGVCWGC-NEPJUHHUSA-N -1 1 332.377 2.997 20 10 EFCDMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784313637 1108145882 /nfs/dbraw/zinc/14/58/82/1108145882.db2.gz NQBBYORLGVCWGC-RYUDHWBXSA-N -1 1 332.377 2.997 20 10 EFCDMM C[C@H](CCOc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783948449 1108854877 /nfs/dbraw/zinc/85/48/77/1108854877.db2.gz WCVTWGOWWDIFKT-CYBMUJFWSA-N -1 1 344.363 2.929 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccsc3)no2)c1 ZINC000184834828 1119525086 /nfs/dbraw/zinc/52/50/86/1119525086.db2.gz XHQPTIGPRYJBGD-UHFFFAOYSA-N -1 1 337.382 2.542 20 10 EFCDMM Cc1cccc(N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)c1C ZINC000276452258 240766755 /nfs/dbraw/zinc/76/67/55/240766755.db2.gz AYCLVNIDIKPAJS-UHFFFAOYSA-N -1 1 344.386 2.816 20 10 EFCDMM CCOC1CC(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000288536622 241017296 /nfs/dbraw/zinc/01/72/96/241017296.db2.gz UITVQNAZSBKYFR-UHFFFAOYSA-N -1 1 328.206 2.586 20 10 EFCDMM COCCn1c(C)c(C)c2cc(C(=O)Nc3ccncc3[O-])ccc21 ZINC000358344420 242118300 /nfs/dbraw/zinc/11/83/00/242118300.db2.gz WQAGNQKZRIUXBD-UHFFFAOYSA-N -1 1 339.395 2.679 20 10 EFCDMM Nc1ccc(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000361968565 242238574 /nfs/dbraw/zinc/23/85/74/242238574.db2.gz LMHRMDOOGIZYRY-UHFFFAOYSA-N -1 1 338.407 2.638 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000248510644 278244182 /nfs/dbraw/zinc/24/41/82/278244182.db2.gz AJDMOPQRHHCDHQ-LYRGGWFBSA-N -1 1 335.375 2.952 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000248510644 278244183 /nfs/dbraw/zinc/24/41/83/278244183.db2.gz AJDMOPQRHHCDHQ-LYRGGWFBSA-N -1 1 335.375 2.952 20 10 EFCDMM COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187760509 293338118 /nfs/dbraw/zinc/33/81/18/293338118.db2.gz OLPRANUSDFUBIP-CABZTGNLSA-N -1 1 338.358 2.594 20 10 EFCDMM C[C@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277458004 474585508 /nfs/dbraw/zinc/58/55/08/474585508.db2.gz GRURTQLPHXTZFA-VHSXEESVSA-N -1 1 328.206 2.586 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccccn3)CC2)c1[O-] ZINC000079220228 472833010 /nfs/dbraw/zinc/83/30/10/472833010.db2.gz SJMAEBYWAKSXTJ-UHFFFAOYSA-N -1 1 345.830 2.965 20 10 EFCDMM O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC000276505800 474565424 /nfs/dbraw/zinc/56/54/24/474565424.db2.gz CYVYXCKMIBMGSF-NSHDSACASA-N -1 1 348.349 2.632 20 10 EFCDMM O=C1CN(Cc2cccc(NCc3cccc(Cl)c3[O-])c2)CCN1 ZINC000291009297 474589904 /nfs/dbraw/zinc/58/99/04/474589904.db2.gz ARPICSCOUMQGPJ-UHFFFAOYSA-N -1 1 345.830 2.590 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCOCC1 ZINC000277692849 474593556 /nfs/dbraw/zinc/59/35/56/474593556.db2.gz GXMQUINDIIGRAH-NSHDSACASA-N -1 1 343.221 2.523 20 10 EFCDMM COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560907 474618618 /nfs/dbraw/zinc/61/86/18/474618618.db2.gz NBCMQXAYGWMUBN-BBRMVZONSA-N -1 1 336.388 2.698 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1[O-] ZINC000267378713 474665401 /nfs/dbraw/zinc/66/54/01/474665401.db2.gz MECLQSQQIVNCFE-HNLRAMPDSA-N -1 1 329.849 2.590 20 10 EFCDMM CC[C@@H](C)CONC(=O)NCc1cccc(Br)c1[O-] ZINC000291761652 474674327 /nfs/dbraw/zinc/67/43/27/474674327.db2.gz LNZPDOAXAHCEKB-SECBINFHSA-N -1 1 331.210 2.932 20 10 EFCDMM Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)cc(N2CCCC2)[nH+]1 ZINC000291935543 474758937 /nfs/dbraw/zinc/75/89/37/474758937.db2.gz OYNGNWJFYVQOOP-UHFFFAOYSA-N -1 1 341.411 2.640 20 10 EFCDMM COc1c([O-])c(C[N@H+](C)CCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278846789 474870492 /nfs/dbraw/zinc/87/04/92/474870492.db2.gz KREHKTBVDXCNST-UHFFFAOYSA-N -1 1 346.383 2.958 20 10 EFCDMM COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280468031 475026950 /nfs/dbraw/zinc/02/69/50/475026950.db2.gz MWCOMKGABZNXCW-JKDFXYPNSA-N -1 1 341.835 2.823 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000280499741 475030090 /nfs/dbraw/zinc/03/00/90/475030090.db2.gz QSALKROEIJYQBA-SJKOYZFVSA-N -1 1 339.819 2.628 20 10 EFCDMM O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000293785125 475052950 /nfs/dbraw/zinc/05/29/50/475052950.db2.gz CBMGBGWYUPUZES-CYBMUJFWSA-N -1 1 326.780 2.833 20 10 EFCDMM O=C(NC1CC1)N[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000273786469 475055907 /nfs/dbraw/zinc/05/59/07/475055907.db2.gz UJQAQFBHUZMSQV-LBPRGKRZSA-N -1 1 344.242 2.735 20 10 EFCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](c2ccsc2)O1 ZINC000295129565 475105618 /nfs/dbraw/zinc/10/56/18/475105618.db2.gz NJCQVWMCBCEBPU-RNCFNFMXSA-N -1 1 337.372 2.901 20 10 EFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1OCCc2sccc21 ZINC000295427339 475125194 /nfs/dbraw/zinc/12/51/94/475125194.db2.gz VOYUYUBGCVZBIT-GLEZIHRCSA-N -1 1 337.372 2.731 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000361366003 475389191 /nfs/dbraw/zinc/38/91/91/475389191.db2.gz RFKSMJHMGVXZDK-MRXNPFEDSA-N -1 1 348.418 2.711 20 10 EFCDMM COc1c([O-])c(CN2CCOC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000373924442 476440369 /nfs/dbraw/zinc/44/03/69/476440369.db2.gz RXUKCTQRJFPEGM-MRXNPFEDSA-N -1 1 344.367 2.883 20 10 EFCDMM CCn1cnnc1CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756420200 575735747 /nfs/dbraw/zinc/73/57/47/575735747.db2.gz HNSHSBYXNRNYCV-QMMMGPOBSA-N -1 1 343.200 2.756 20 10 EFCDMM C[C@@H](N[C@H](C)c1cc(Br)c(F)cc1[O-])c1nncn1C ZINC000756531755 575756103 /nfs/dbraw/zinc/75/61/03/575756103.db2.gz BZUOQCUWMDFWPL-HTQZYQBOSA-N -1 1 343.200 2.834 20 10 EFCDMM CC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(=O)OC(C)(C)C ZINC000756657280 575773516 /nfs/dbraw/zinc/77/35/16/575773516.db2.gz CTWLHIDZGRQSNZ-SMDDNHRTSA-N -1 1 337.416 2.950 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1F ZINC000758774184 575877338 /nfs/dbraw/zinc/87/73/38/575877338.db2.gz NMMBUPWCPTVKGT-UHFFFAOYSA-N -1 1 339.344 2.543 20 10 EFCDMM CC(=O)c1ccc([O-])c(CCOC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000759595781 575906390 /nfs/dbraw/zinc/90/63/90/575906390.db2.gz LZOGQGWLDOHVAV-XVNBXDOJSA-N -1 1 342.347 2.805 20 10 EFCDMM CCC[C@@H](C)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000761856142 576220644 /nfs/dbraw/zinc/22/06/44/576220644.db2.gz UUEBOTYMUQXQFI-SECBINFHSA-N -1 1 325.390 2.717 20 10 EFCDMM O=C(NCc1ccco1)NCc1cccc(Br)c1[O-] ZINC000764747585 576498227 /nfs/dbraw/zinc/49/82/27/576498227.db2.gz UUHUVGUEOUDMJB-UHFFFAOYSA-N -1 1 325.162 2.747 20 10 EFCDMM COC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000764781669 576502977 /nfs/dbraw/zinc/50/29/77/576502977.db2.gz BBOVAULJQXLVIJ-GFCCVEGCSA-N -1 1 345.237 2.625 20 10 EFCDMM Cc1nnc2c(NCc3cccc(Br)c3[O-])nccn12 ZINC000764934098 576525721 /nfs/dbraw/zinc/52/57/21/576525721.db2.gz JEBWAKJSVJQGQR-UHFFFAOYSA-N -1 1 334.177 2.513 20 10 EFCDMM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000765646854 577062495 /nfs/dbraw/zinc/06/24/95/577062495.db2.gz KMIXVUBRDFIOED-UHFFFAOYSA-N -1 1 341.772 2.853 20 10 EFCDMM O=C(NCc1cccc(Br)c1O)c1ccc([O-])cc1F ZINC000765727218 577070839 /nfs/dbraw/zinc/07/08/39/577070839.db2.gz KTVBAWYUJBNFHQ-UHFFFAOYSA-N -1 1 340.148 2.929 20 10 EFCDMM Cc1cnc(CC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765733319 577071471 /nfs/dbraw/zinc/07/14/71/577071471.db2.gz XBHJMXCLPMRDDB-UHFFFAOYSA-N -1 1 341.230 2.779 20 10 EFCDMM O=C(/C=C\c1cccnc1)NCc1cccc(Br)c1[O-] ZINC000765735336 577071572 /nfs/dbraw/zinc/07/15/72/577071572.db2.gz HBLYBFCGBUVRAT-SREVYHEPSA-N -1 1 333.185 2.879 20 10 EFCDMM O=Cc1cc(C(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765755129 577072834 /nfs/dbraw/zinc/07/28/34/577072834.db2.gz GAXSTKOCKYXIQQ-UHFFFAOYSA-N -1 1 340.198 2.959 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2c[nH]nc21 ZINC000765751952 577072902 /nfs/dbraw/zinc/07/29/02/577072902.db2.gz BIHRSBPRWFGHTG-UHFFFAOYSA-N -1 1 346.184 2.961 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2n[nH]cc2c1 ZINC000765755940 577073259 /nfs/dbraw/zinc/07/32/59/577073259.db2.gz KBIFWTFJYAQLIQ-UHFFFAOYSA-N -1 1 346.184 2.961 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cncc(F)c1 ZINC000765768106 577074360 /nfs/dbraw/zinc/07/43/60/577074360.db2.gz HIDLPIPYFSANSB-UHFFFAOYSA-N -1 1 325.137 2.619 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2[nH]cnc2c1 ZINC000765942553 577090349 /nfs/dbraw/zinc/09/03/49/577090349.db2.gz DAXZGQPRPRSPJA-UHFFFAOYSA-N -1 1 346.184 2.961 20 10 EFCDMM CNc1nc(C(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765943159 577090773 /nfs/dbraw/zinc/09/07/73/577090773.db2.gz GOEGBPXJRYTWJS-UHFFFAOYSA-N -1 1 342.218 2.583 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c(C)c1 ZINC000766047134 577101316 /nfs/dbraw/zinc/10/13/16/577101316.db2.gz GFMPTILAMDMAMW-UHFFFAOYSA-N -1 1 335.381 2.713 20 10 EFCDMM COc1ccc(N2CCCN(C(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC000767306616 577203440 /nfs/dbraw/zinc/20/34/40/577203440.db2.gz VFFYHTXKQORUGG-UHFFFAOYSA-N -1 1 344.386 2.892 20 10 EFCDMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000767319942 577203993 /nfs/dbraw/zinc/20/39/93/577203993.db2.gz FFQHLUJRCSKXHO-ZDUSSCGKSA-N -1 1 344.386 2.859 20 10 EFCDMM COc1cc(Br)cc(C[N@@H+]2CCCOC[C@@H]2C)c1O ZINC000769458432 577363454 /nfs/dbraw/zinc/36/34/54/577363454.db2.gz UQYBWANWEYEAID-JTQLQIEISA-N -1 1 330.222 2.774 20 10 EFCDMM CCS(=O)(=O)c1c(Cl)cccc1C=C1SC(=S)[N-]C1=O ZINC000774121102 581484456 /nfs/dbraw/zinc/48/44/56/581484456.db2.gz ONEHOSALDRGIDP-RMKNXTFCSA-N -1 1 347.870 2.622 20 10 EFCDMM O=C([O-])C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000236425038 598150976 /nfs/dbraw/zinc/15/09/76/598150976.db2.gz GKKHYYZIKUNWOD-JTQLQIEISA-N -1 1 328.206 2.841 20 10 EFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000236425038 598150977 /nfs/dbraw/zinc/15/09/77/598150977.db2.gz GKKHYYZIKUNWOD-JTQLQIEISA-N -1 1 328.206 2.841 20 10 EFCDMM COc1ccc(N2CCCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000738020435 599848194 /nfs/dbraw/zinc/84/81/94/599848194.db2.gz DRJKXGVCTBCBDX-UHFFFAOYSA-N -1 1 330.384 2.699 20 10 EFCDMM COc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cn1 ZINC000832314705 601595121 /nfs/dbraw/zinc/59/51/21/601595121.db2.gz NGBDSJORYQZHBC-UHFFFAOYSA-N -1 1 336.775 2.536 20 10 EFCDMM COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cn1 ZINC000832314705 601595123 /nfs/dbraw/zinc/59/51/23/601595123.db2.gz NGBDSJORYQZHBC-UHFFFAOYSA-N -1 1 336.775 2.536 20 10 EFCDMM COc1ccc(N(Cc2ccnc(-c3nnn[n-]3)c2)CC(C)C)cc1 ZINC000826208828 607519801 /nfs/dbraw/zinc/51/98/01/607519801.db2.gz BNBXZIRIKFTPTI-UHFFFAOYSA-N -1 1 338.415 2.933 20 10 EFCDMM COc1ccc(N(Cc2ccnc(-c3nn[n-]n3)c2)CC(C)C)cc1 ZINC000826208828 607519802 /nfs/dbraw/zinc/51/98/02/607519802.db2.gz BNBXZIRIKFTPTI-UHFFFAOYSA-N -1 1 338.415 2.933 20 10 EFCDMM C[C@@H]1C[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833594430 605478668 /nfs/dbraw/zinc/47/86/68/605478668.db2.gz CKNOQZMZSWSZII-VXGBXAGGSA-N -1 1 327.808 2.747 20 10 EFCDMM C[C@@H]1C[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833594430 605478670 /nfs/dbraw/zinc/47/86/70/605478670.db2.gz CKNOQZMZSWSZII-VXGBXAGGSA-N -1 1 327.808 2.747 20 10 EFCDMM CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821109939 606594590 /nfs/dbraw/zinc/59/45/90/606594590.db2.gz SVEMURJLBSVVCU-UHFFFAOYSA-N -1 1 343.412 2.686 20 10 EFCDMM CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821109939 606594591 /nfs/dbraw/zinc/59/45/91/606594591.db2.gz SVEMURJLBSVVCU-UHFFFAOYSA-N -1 1 343.412 2.686 20 10 EFCDMM O=C(COC(=O)c1cccc(N2CCCC2)c1)c1ccc([O-])c(O)c1 ZINC000850246964 1250379111 /nfs/dbraw/zinc/37/91/11/1250379111.db2.gz NIYFSCLQLZOAOZ-UHFFFAOYSA-N -1 1 341.363 2.738 20 10 EFCDMM CCn1cc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])nn1 ZINC000850522102 1250520647 /nfs/dbraw/zinc/52/06/47/1250520647.db2.gz CABDJEFRGKPFTN-QMMMGPOBSA-N -1 1 343.200 2.756 20 10 EFCDMM CC(C)NC(=O)CN(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708144373 1259678532 /nfs/dbraw/zinc/67/85/32/1259678532.db2.gz AWPBXJSXMMBBTQ-UHFFFAOYSA-N -1 1 349.656 2.765 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C/c1cc2c(cc1OC(F)F)OCO2 ZINC000741840399 1269725761 /nfs/dbraw/zinc/72/57/61/1269725761.db2.gz SDEBTBGXPAQTTC-XNWCZRBMSA-N -1 1 331.321 2.506 20 10 EFCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(F)F)cc1 ZINC000741841936 1269728460 /nfs/dbraw/zinc/72/84/60/1269728460.db2.gz CSJDTZXSKXLSOJ-GDNBJRDFSA-N -1 1 344.317 2.792 20 10 EFCDMM Cc1nc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)no1 ZINC001170314987 1279009556 /nfs/dbraw/zinc/00/95/56/1279009556.db2.gz NXAIDUBTWGVEAH-UHFFFAOYSA-N -1 1 325.324 2.751 20 10 EFCDMM O=C(CNc1ncc2c(n1)-c1ccccc1OC2)c1ccc([O-])c(O)c1 ZINC001170317100 1279012418 /nfs/dbraw/zinc/01/24/18/1279012418.db2.gz YWNCKFLBYNBYFL-UHFFFAOYSA-N -1 1 349.346 2.742 20 10 EFCDMM COC(=O)CCCc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170322650 1279014665 /nfs/dbraw/zinc/01/46/65/1279014665.db2.gz KHVXAHKMRJISMU-UHFFFAOYSA-N -1 1 343.379 2.888 20 10 EFCDMM CCOc1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1[N+](=O)[O-] ZINC001170320978 1279014877 /nfs/dbraw/zinc/01/48/77/1279014877.db2.gz SVESFWWLYKUADA-UHFFFAOYSA-N -1 1 332.312 2.700 20 10 EFCDMM O=C(CNc1ccc(-c2csnn2)cc1)c1ccc([O-])c(O)c1 ZINC001170321635 1279014951 /nfs/dbraw/zinc/01/49/51/1279014951.db2.gz AXIDFDKJCJSMCQ-UHFFFAOYSA-N -1 1 327.365 2.911 20 10 EFCDMM Cc1cc(NCc2cc(F)cc(F)c2[O-])ccc1N1CCOCC1=O ZINC000922917658 1276330753 /nfs/dbraw/zinc/33/07/53/1276330753.db2.gz HEQJQFAHSLKMSO-UHFFFAOYSA-N -1 1 348.349 2.954 20 10 EFCDMM C[C@@H](N[C@H](C)c1cc(Br)c(F)cc1[O-])c1ncnn1C ZINC000788986062 1276429099 /nfs/dbraw/zinc/42/90/99/1276429099.db2.gz ZDBTYOBNRMACIX-HTQZYQBOSA-N -1 1 343.200 2.834 20 10 EFCDMM COc1ccc(N2CC[C@H](CNC(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000819587159 1276829383 /nfs/dbraw/zinc/82/93/83/1276829383.db2.gz XDVDVTHUHPOLEZ-CYBMUJFWSA-N -1 1 344.386 2.796 20 10 EFCDMM O=C(NCCCCOc1ccc(F)cc1)c1c(F)ccc(O)c1[O-] ZINC000789955323 1277115753 /nfs/dbraw/zinc/11/57/53/1277115753.db2.gz UKNOLWKHSPBJLG-UHFFFAOYSA-N -1 1 337.322 2.965 20 10 EFCDMM O=C(NCC1(c2ccccc2)CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000789957505 1277120411 /nfs/dbraw/zinc/12/04/11/1277120411.db2.gz RBDYZXUVDGSLLR-UHFFFAOYSA-N -1 1 345.370 2.715 20 10 EFCDMM CC[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])Oc1ccccc1F ZINC000789991439 1277152685 /nfs/dbraw/zinc/15/26/85/1277152685.db2.gz DPRJSBGWNWEPEK-JTQLQIEISA-N -1 1 337.322 2.963 20 10 EFCDMM Cn1cnnc1-c1ccc(NCc2c([O-])ccc(Cl)c2F)nc1 ZINC000790246166 1277374137 /nfs/dbraw/zinc/37/41/37/1277374137.db2.gz RNFAIMDYUAJTSA-UHFFFAOYSA-N -1 1 333.754 2.987 20 10 EFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000792701806 1279126979 /nfs/dbraw/zinc/12/69/79/1279126979.db2.gz AYYIPJUVJVJQBX-UHFFFAOYSA-N -1 1 339.394 2.644 20 10 EFCDMM O=C(COC(=O)[C@@H]1CCc2ccccc2C1)c1ccc([O-])c(O)c1 ZINC000845212200 1279494884 /nfs/dbraw/zinc/49/48/84/1279494884.db2.gz DBMMRUDRGPIUNC-OAHLLOKOSA-N -1 1 326.348 2.629 20 10 EFCDMM O=C(C[C@@H]1CCCOC1)NCc1cccc(Br)c1[O-] ZINC000793967638 1279962309 /nfs/dbraw/zinc/96/23/09/1279962309.db2.gz FVFHZUNYFYEOIQ-JTQLQIEISA-N -1 1 328.206 2.588 20 10 EFCDMM CC[C@H](C)[C@H](OC)C(=O)NCc1cccc(Br)c1[O-] ZINC000793973099 1279965730 /nfs/dbraw/zinc/96/57/30/1279965730.db2.gz YGNWHCPRNGZNCE-ZANVPECISA-N -1 1 330.222 2.832 20 10 EFCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])n1ccnc1 ZINC000846015925 1279977738 /nfs/dbraw/zinc/97/77/38/1279977738.db2.gz OUIADVZUOPMKSE-SNVBAGLBSA-N -1 1 338.205 2.619 20 10 EFCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000839851795 1281232488 /nfs/dbraw/zinc/23/24/88/1281232488.db2.gz BPIVCHUYLMMOIM-ZDUSSCGKSA-N -1 1 344.386 2.583 20 10 EFCDMM Nc1ccc2n(C(=O)c3cccc(O)c3[O-])c3ccccc3cc-2c1=O ZINC001148219403 1281457060 /nfs/dbraw/zinc/45/70/60/1281457060.db2.gz XZESKENCOZMJCJ-UHFFFAOYSA-N -1 1 346.342 2.788 20 10 EFCDMM O=S(=O)([N-]c1cccc(F)c1Cl)c1cccc2nonc21 ZINC000808568425 1281780300 /nfs/dbraw/zinc/78/03/00/1281780300.db2.gz KJVVXJRRZYCHCO-UHFFFAOYSA-N -1 1 327.724 2.816 20 10 EFCDMM COCCn1cc(NCc2cc(Br)cc(F)c2[O-])cn1 ZINC000715778934 1284330868 /nfs/dbraw/zinc/33/08/68/1284330868.db2.gz OCECVVMKUVDXGP-UHFFFAOYSA-N -1 1 344.184 2.749 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NOC/C=C/Cl ZINC000811980294 1284770230 /nfs/dbraw/zinc/77/02/30/1284770230.db2.gz NBWSMZXSMOVRNB-GORDUTHDSA-N -1 1 335.585 2.638 20 10 EFCDMM Nc1ccc(N)c(S(=O)(=O)[N-]c2cccc(N3CCCCC3)c2)c1 ZINC001174306214 1286974642 /nfs/dbraw/zinc/97/46/42/1286974642.db2.gz WXEVJRAHQFRMPC-UHFFFAOYSA-N -1 1 346.456 2.642 20 10 EFCDMM CO[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000816495648 1288163586 /nfs/dbraw/zinc/16/35/86/1288163586.db2.gz DPHWXNVVPYHUBB-ZYHUDNBSSA-N -1 1 342.233 2.976 20 10 EFCDMM CNC(=O)COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816527089 1288204897 /nfs/dbraw/zinc/20/48/97/1288204897.db2.gz XBYCWIOOBGHCDP-UHFFFAOYSA-N -1 1 338.766 2.922 20 10 EFCDMM O=C(CCCCc1cccs1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001177493689 1288450339 /nfs/dbraw/zinc/45/03/39/1288450339.db2.gz VQUWUZOCICCZIK-UHFFFAOYSA-N -1 1 333.409 2.871 20 10 EFCDMM O=C(C=Cc1cc2ccccc2o1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001178760268 1288895595 /nfs/dbraw/zinc/89/55/95/1288895595.db2.gz VVGYIUAKYQHIQU-SOFGYWHQSA-N -1 1 337.331 2.856 20 10 EFCDMM COc1ccc(C(C)(C)CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825625209 1289376403 /nfs/dbraw/zinc/37/64/03/1289376403.db2.gz ZIULIYPIEAMLMI-UHFFFAOYSA-N -1 1 333.359 2.953 20 10 EFCDMM CN(C1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@@H]1CCOC1 ZINC001203579747 1290411723 /nfs/dbraw/zinc/41/17/23/1290411723.db2.gz DDWYEFKNJJKMSG-GFCCVEGCSA-N -1 1 331.243 2.604 20 10 EFCDMM Cc1cccc(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091984510 1290619941 /nfs/dbraw/zinc/61/99/41/1290619941.db2.gz VGLIWCYOZNZTIU-UHFFFAOYSA-N -1 1 334.397 2.633 20 10 EFCDMM C[C@@H]1CCCN(Cc2c([O-])cc(Br)cc2F)[C@@H]1CO ZINC001233027051 1312835112 /nfs/dbraw/zinc/83/51/12/1312835112.db2.gz KUYVAIMRWPZKNK-NOZJJQNGSA-N -1 1 332.213 2.887 20 10 EFCDMM O=C1N(c2ccccc2)CC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001203664304 1291195116 /nfs/dbraw/zinc/19/51/16/1291195116.db2.gz XRJNCULGMYIYCM-UHFFFAOYSA-N -1 1 328.799 2.894 20 10 EFCDMM O=C1N(c2ccccc2)CC12CN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233077146 1312850296 /nfs/dbraw/zinc/85/02/96/1312850296.db2.gz GWJCPXVZBDQWHG-UHFFFAOYSA-N -1 1 330.334 2.519 20 10 EFCDMM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233078880 1312851220 /nfs/dbraw/zinc/85/12/20/1312851220.db2.gz MRLBMYAZPJXYJP-DGCLKSJQSA-N -1 1 340.370 2.722 20 10 EFCDMM O=C(CNC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc([O-])c(O)c1 ZINC001189027089 1291568836 /nfs/dbraw/zinc/56/88/36/1291568836.db2.gz GMFCAEWOHZZYFR-UHFFFAOYSA-N -1 1 336.347 2.706 20 10 EFCDMM Cc1ccccc1[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000826081300 1291842953 /nfs/dbraw/zinc/84/29/53/1291842953.db2.gz ZVQNMKQQWDICBI-OAHLLOKOSA-N -1 1 331.343 2.759 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1CCn2cnc(COCC3CC3)c2C1 ZINC001233333142 1312904857 /nfs/dbraw/zinc/90/48/57/1312904857.db2.gz LGVZYMYPBRTWOW-UHFFFAOYSA-N -1 1 349.381 2.809 20 10 EFCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2cnn(C)c21 ZINC001233333467 1312905637 /nfs/dbraw/zinc/90/56/37/1312905637.db2.gz WQUFOQVTDGRSLO-GFCCVEGCSA-N -1 1 337.370 2.540 20 10 EFCDMM CN(Cc1c([O-])ccc(F)c1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233335347 1312906298 /nfs/dbraw/zinc/90/62/98/1312906298.db2.gz RFRWMCUADDSOBB-UHFFFAOYSA-N -1 1 328.359 2.722 20 10 EFCDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(O)c1 ZINC001190412645 1292167625 /nfs/dbraw/zinc/16/76/25/1292167625.db2.gz HKVRGKKNCZXBEI-UHFFFAOYSA-N -1 1 345.342 2.905 20 10 EFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775405169 1292285029 /nfs/dbraw/zinc/28/50/29/1292285029.db2.gz ROPPABRCSGXUOF-JTQLQIEISA-N -1 1 346.456 2.770 20 10 EFCDMM [O-]c1c(CN2CC[C@](O)(CF)[C@@H](F)C2)cccc1C(F)(F)F ZINC001233416210 1312927930 /nfs/dbraw/zinc/92/79/30/1312927930.db2.gz ZUQHNIADXPRALK-AAEUAGOBSA-N -1 1 325.277 2.655 20 10 EFCDMM CCOC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418460 1312927753 /nfs/dbraw/zinc/92/77/53/1312927753.db2.gz HVQFMVMFRQSYRF-UHFFFAOYSA-N -1 1 332.322 2.685 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)CO[C@@H](C)COC ZINC001233496101 1312942935 /nfs/dbraw/zinc/94/29/35/1312942935.db2.gz PYOKEDCXMCTFDB-RYUDHWBXSA-N -1 1 326.389 2.899 20 10 EFCDMM O=C(Nc1cncnc1Br)c1ccc(O)c([O-])c1Cl ZINC001193210198 1293198720 /nfs/dbraw/zinc/19/87/20/1293198720.db2.gz WCSPIIAYVBMQBU-UHFFFAOYSA-N -1 1 344.552 2.556 20 10 EFCDMM O=C(Nc1cnccc1OC(F)F)c1ccc(O)c([O-])c1Cl ZINC001193220864 1293201029 /nfs/dbraw/zinc/20/10/29/1293201029.db2.gz YVUDBGSPFIJLBX-UHFFFAOYSA-N -1 1 330.674 3.000 20 10 EFCDMM CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193233445 1293207622 /nfs/dbraw/zinc/20/76/22/1293207622.db2.gz YZRLUTAXZQTCTB-UHFFFAOYSA-N -1 1 329.780 2.555 20 10 EFCDMM Cc1ccn2c(CNC(=O)c3ccc(O)c([O-])c3Cl)cnc2c1 ZINC001193237108 1293210857 /nfs/dbraw/zinc/21/08/57/1293210857.db2.gz WMKVIUBYFZMKCD-UHFFFAOYSA-N -1 1 331.759 2.637 20 10 EFCDMM O=C(NCc1ccc(C2OCCO2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193247406 1293212984 /nfs/dbraw/zinc/21/29/84/1293212984.db2.gz XUAPAWCOZXUFDL-UHFFFAOYSA-N -1 1 349.770 2.727 20 10 EFCDMM O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(O)c([O-])c1Cl ZINC001193247272 1293213484 /nfs/dbraw/zinc/21/34/84/1293213484.db2.gz RLYUOBQVOMXYHB-JTQLQIEISA-N -1 1 349.770 2.711 20 10 EFCDMM Cc1nc([C@H]2CCCCN2C(=O)c2ccc(O)c([O-])c2Cl)no1 ZINC001193225485 1293222564 /nfs/dbraw/zinc/22/25/64/1293222564.db2.gz NNIAJHQFZGAEJZ-SNVBAGLBSA-N -1 1 337.763 2.810 20 10 EFCDMM COC(=O)CN(Cc1ccccc1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193225022 1293223054 /nfs/dbraw/zinc/22/30/54/1293223054.db2.gz FYIDOHRTUYRPPA-UHFFFAOYSA-N -1 1 349.770 2.567 20 10 EFCDMM O=C(Cc1coc2ccccc12)OCC(=O)c1ccc([O-])c(O)c1 ZINC000803720245 1313049845 /nfs/dbraw/zinc/04/98/45/1313049845.db2.gz KGISXISITAUNLV-UHFFFAOYSA-N -1 1 326.304 2.813 20 10 EFCDMM CNC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000840975001 1294788299 /nfs/dbraw/zinc/78/82/99/1294788299.db2.gz RWXINYSKRDCRSS-UHFFFAOYSA-N -1 1 332.231 2.592 20 10 EFCDMM CCOC(=O)C[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)C(F)(F)F ZINC001234473563 1313135666 /nfs/dbraw/zinc/13/56/66/1313135666.db2.gz HZYPIXBIERCBNC-GFCCVEGCSA-N -1 1 336.262 2.563 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001234476991 1313136229 /nfs/dbraw/zinc/13/62/29/1313136229.db2.gz QMYWVMPMDKMTJA-RFAUZJTJSA-N -1 1 337.372 2.687 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C ZINC001234476994 1313136571 /nfs/dbraw/zinc/13/65/71/1313136571.db2.gz QMYWVMPMDKMTJA-VFZGTOFNSA-N -1 1 337.372 2.687 20 10 EFCDMM COc1cccc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CC2)c1 ZINC000803792560 1313163497 /nfs/dbraw/zinc/16/34/97/1313163497.db2.gz PTMYZACUNHTLMK-UHFFFAOYSA-N -1 1 342.347 2.564 20 10 EFCDMM CCO[C@H](CCNC(=O)c1c(F)ccc(O)c1[O-])C1CCCC1 ZINC000826609184 1295703325 /nfs/dbraw/zinc/70/33/25/1295703325.db2.gz BNTOVJMUDIEHIG-CQSZACIVSA-N -1 1 325.380 2.952 20 10 EFCDMM O=C(CNC(=S)Nc1cccc(Cl)c1)c1ccc([O-])c(O)c1 ZINC001201107950 1296573562 /nfs/dbraw/zinc/57/35/62/1296573562.db2.gz GTYAHASAQGZCEH-UHFFFAOYSA-N -1 1 336.800 2.921 20 10 EFCDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(O)c(F)c1F ZINC001201756610 1297056762 /nfs/dbraw/zinc/05/67/62/1297056762.db2.gz YNALQWJRXZGAQH-UHFFFAOYSA-N -1 1 340.760 2.890 20 10 EFCDMM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(C)cc(Br)c1[O-] ZINC001236664354 1313505991 /nfs/dbraw/zinc/50/59/91/1313505991.db2.gz SUKJUQHITMRDRV-PWSUYJOCSA-N -1 1 346.196 2.549 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001236789290 1313529174 /nfs/dbraw/zinc/52/91/74/1313529174.db2.gz DKQXVQSNRXWWFT-FGEZKYSXSA-N -1 1 332.227 2.671 20 10 EFCDMM CC(=O)N1CCC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001236792952 1313530471 /nfs/dbraw/zinc/53/04/71/1313530471.db2.gz KJMRAJTVAGMYGN-UHFFFAOYSA-N -1 1 329.227 2.753 20 10 EFCDMM CCOC(=O)[C@]12C[C@H]1CCN2Cc1c([O-])cc(OC)cc1Cl ZINC001236796336 1313530800 /nfs/dbraw/zinc/53/08/00/1313530800.db2.gz UCJQDUCCAABCBV-HWPZZCPQSA-N -1 1 325.792 2.582 20 10 EFCDMM COc1cc([O-])c(CN2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC001236804753 1313532154 /nfs/dbraw/zinc/53/21/54/1313532154.db2.gz XTJKGNLCHVLOND-LBPRGKRZSA-N -1 1 325.714 2.817 20 10 EFCDMM COc1ccc(CN2CCC[C@@H](NC(=O)C(C)C)C2)c([O-])c1Cl ZINC001236810593 1313534450 /nfs/dbraw/zinc/53/44/50/1313534450.db2.gz VBEIJJCIQYKQOF-CYBMUJFWSA-N -1 1 340.851 2.791 20 10 EFCDMM CCOC(=O)[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CCC1=O ZINC001237078516 1313582486 /nfs/dbraw/zinc/58/24/86/1313582486.db2.gz UAMKWFOYRJAOPU-SNVBAGLBSA-N -1 1 346.210 2.653 20 10 EFCDMM O=C1NC[C@]2(CCCN(Cc3c([O-])ccc(Cl)c3Cl)C2)O1 ZINC001237083410 1313583577 /nfs/dbraw/zinc/58/35/77/1313583577.db2.gz CUTIMSHTZZKIED-AWEZNQCLSA-N -1 1 331.199 2.773 20 10 EFCDMM CC1(C)CN(Cc2cccc(I)c2[O-])CCO1 ZINC001237778787 1313704950 /nfs/dbraw/zinc/70/49/50/1313704950.db2.gz AUYXWSOGBQRJDT-UHFFFAOYSA-N -1 1 347.196 2.608 20 10 EFCDMM C[C@@H]1CN(Cc2cccc(I)c2[O-])[C@H](C)CO1 ZINC001237783685 1313705442 /nfs/dbraw/zinc/70/54/42/1313705442.db2.gz MUPPHRXRNJNEMN-NXEZZACHSA-N -1 1 347.196 2.606 20 10 EFCDMM [O-]c1c(Cl)cc(F)cc1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001237808052 1313710755 /nfs/dbraw/zinc/71/07/55/1313710755.db2.gz PNCWXAGBHILCFL-SCZZXKLOSA-N -1 1 327.705 2.787 20 10 EFCDMM [O-]c1c(Cl)cc(F)cc1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001237811890 1313711537 /nfs/dbraw/zinc/71/15/37/1313711537.db2.gz CWUHHRQJWMOWKF-NUEKZKHPSA-N -1 1 341.810 2.811 20 10 EFCDMM O=C(c1ccncc1)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237940648 1313733552 /nfs/dbraw/zinc/73/35/52/1313733552.db2.gz MWMVYEMXYPWLFR-UHFFFAOYSA-N -1 1 349.793 2.538 20 10 EFCDMM Oc1cc(Cl)c(F)cc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC001237938010 1313733642 /nfs/dbraw/zinc/73/36/42/1313733642.db2.gz WNXFDRKBZIOMTB-UHFFFAOYSA-N -1 1 336.798 2.687 20 10 EFCDMM Cc1nn(-c2ccccn2)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000794689301 1302956020 /nfs/dbraw/zinc/95/60/20/1302956020.db2.gz AEFXZMWPJPTOCU-RMKNXTFCSA-N -1 1 336.829 2.718 20 10 EFCDMM COc1ncc(-c2cccc3c2ccn3C)cc1[N-]S(C)(=O)=O ZINC001244795008 1314413859 /nfs/dbraw/zinc/41/38/59/1314413859.db2.gz VUHRLOKLPHVPGB-UHFFFAOYSA-N -1 1 331.397 2.620 20 10 EFCDMM COc1ncc(-c2cccc3c2cc(C)n3C)cc1[N-]S(C)(=O)=O ZINC001244795901 1314414067 /nfs/dbraw/zinc/41/40/67/1314414067.db2.gz KUXGRZPGJBLIKS-UHFFFAOYSA-N -1 1 345.424 2.929 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1 ZINC000901703156 1310907411 /nfs/dbraw/zinc/90/74/11/1310907411.db2.gz CRVFJKVIOGOERQ-MRXNPFEDSA-N -1 1 343.445 2.738 20 10 EFCDMM CC(C)c1nc(S(=O)(=O)[N-]c2cc(F)c(O)cc2Cl)c[nH]1 ZINC000901962730 1311246587 /nfs/dbraw/zinc/24/65/87/1311246587.db2.gz LNFNEMVUVMBEMP-UHFFFAOYSA-N -1 1 333.772 2.832 20 10 EFCDMM CCN(C(=O)[C@H]1CC12CN(Cc1c(F)ccc(F)c1[O-])C2)C(C)C ZINC001276943288 1311338691 /nfs/dbraw/zinc/33/86/91/1311338691.db2.gz UTUYKPIFSXDIIT-CYBMUJFWSA-N -1 1 338.398 2.749 20 10 EFCDMM O=C(CNC(F)(F)c1ccc(Cl)nc1)c1ccc([O-])c(O)c1 ZINC001159272506 1311483775 /nfs/dbraw/zinc/48/37/75/1311483775.db2.gz NXOPZITZRSNTMM-UHFFFAOYSA-N -1 1 328.702 2.668 20 10 EFCDMM O=C(CNc1cc(Oc2ccccc2)ncn1)c1ccc([O-])c(O)c1 ZINC001159276059 1311484430 /nfs/dbraw/zinc/48/44/30/1311484430.db2.gz DGRHGOJUVSMAGG-UHFFFAOYSA-N -1 1 337.335 2.975 20 10 EFCDMM Cc1cc(Cl)nc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159279040 1311484445 /nfs/dbraw/zinc/48/44/45/1311484445.db2.gz JCXPRQMBFSODHV-UHFFFAOYSA-N -1 1 342.729 2.976 20 10 EFCDMM Cc1ccc(Cl)nc1C(F)(F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001159278876 1311484499 /nfs/dbraw/zinc/48/44/99/1311484499.db2.gz FEZQHBQSJCNTKT-UHFFFAOYSA-N -1 1 342.729 2.976 20 10 EFCDMM O=C(CNc1ccc2c(cccc2[N+](=O)[O-])n1)c1ccc([O-])c(O)c1 ZINC001159276479 1311484627 /nfs/dbraw/zinc/48/46/27/1311484627.db2.gz JIGRXDIWZXRRJY-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM O=C(CNc1cc2ccc(Cl)nc2cn1)c1ccc([O-])c(O)c1 ZINC001159279200 1311484701 /nfs/dbraw/zinc/48/47/01/1311484701.db2.gz LNLKIAXZKISRTC-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1cnc2c(Cl)cccc2n1)c1ccc([O-])c(O)c1 ZINC001159275998 1311484866 /nfs/dbraw/zinc/48/48/66/1311484866.db2.gz CFAVIJQOEKDEQA-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1nc(C2CCC2)nc2[nH]ccc21)c1ccc([O-])c(O)c1 ZINC001159280576 1311485236 /nfs/dbraw/zinc/48/52/36/1311485236.db2.gz YEIFRIIGOZFEGT-UHFFFAOYSA-N -1 1 338.367 2.931 20 10 EFCDMM CCCSc1ncnc(NCC(=O)c2ccc([O-])c(O)c2)c1OC ZINC001159280569 1311485499 /nfs/dbraw/zinc/48/54/99/1311485499.db2.gz XYCOPWIDDJXURT-UHFFFAOYSA-N -1 1 349.412 2.693 20 10 EFCDMM C[C@@H]1COCC[C@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227576664 1311824131 /nfs/dbraw/zinc/82/41/31/1311824131.db2.gz CXQYOQPUHBQABC-BDJLRTHQSA-N -1 1 338.359 2.971 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1CN2CCC1CC2 ZINC001227579987 1311824808 /nfs/dbraw/zinc/82/48/08/1311824808.db2.gz CYLLYZRXSJPAIS-QGZVFWFLSA-N -1 1 349.386 2.641 20 10 EFCDMM CN1CCC[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227580027 1311825001 /nfs/dbraw/zinc/82/50/01/1311825001.db2.gz FCUDMCLGQIGLOH-LBPRGKRZSA-N -1 1 337.375 2.641 20 10 EFCDMM CC(C)N1CC(Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)C1 ZINC001228113859 1311901654 /nfs/dbraw/zinc/90/16/54/1311901654.db2.gz FMGJZTOMLJLQEU-UHFFFAOYSA-N -1 1 343.379 2.506 20 10 EFCDMM C[C@H]1CC[C@@H](COc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)O1 ZINC001228115967 1311902234 /nfs/dbraw/zinc/90/22/34/1311902234.db2.gz SSRDBOJASXHNMF-FZMZJTMJSA-N -1 1 344.363 2.981 20 10 EFCDMM CCOC[C@H]1Cn2nccc2CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231911162 1312587583 /nfs/dbraw/zinc/58/75/83/1312587583.db2.gz DOJYCVFAZAHKDB-CYBMUJFWSA-N -1 1 335.835 2.911 20 10 EFCDMM [O-]c1cc(O)c(CN2CCc3nc(Cl)ncc3C2)cc1Cl ZINC001232269185 1312662568 /nfs/dbraw/zinc/66/25/68/1312662568.db2.gz XOLZHSBOFOBKRF-UHFFFAOYSA-N -1 1 326.183 2.753 20 10 EFCDMM C[C@H](NC(=S)NCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1 ZINC001249627207 1315111315 /nfs/dbraw/zinc/11/13/15/1315111315.db2.gz MABUXQVFKULYOR-JTQLQIEISA-N -1 1 348.399 2.645 20 10 EFCDMM Cc1ncc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001251389771 1315345557 /nfs/dbraw/zinc/34/55/57/1315345557.db2.gz HHVFBSLNNLRLAA-UHFFFAOYSA-N -1 1 334.184 2.598 20 10 EFCDMM Cc1nnc(CN(C)Cc2cc(C)cc(Br)c2[O-])o1 ZINC000827039383 1315586574 /nfs/dbraw/zinc/58/65/74/1315586574.db2.gz QVMNBZCFCGFYAT-UHFFFAOYSA-N -1 1 326.194 2.787 20 10 EFCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1cc(F)c(F)c(F)c1 ZINC001259500423 1316252071 /nfs/dbraw/zinc/25/20/71/1316252071.db2.gz QWRQFEZFHAUXOP-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001260649009 1316354191 /nfs/dbraw/zinc/35/41/91/1316354191.db2.gz JMYYYWHNWVDAPD-UHFFFAOYSA-N -1 1 333.287 2.619 20 10 EFCDMM O=S(=O)(Nc1ccccc1[S-])c1ccc(Cl)c2nonc21 ZINC001261071114 1316388127 /nfs/dbraw/zinc/38/81/27/1316388127.db2.gz MURMPGWQTNPUIT-UHFFFAOYSA-N -1 1 341.801 2.966 20 10 EFCDMM O=C(CSCc1cccs1)OCC(=O)c1ccc([O-])c(O)c1 ZINC001320894338 1329315765 /nfs/dbraw/zinc/31/57/65/1329315765.db2.gz RMMJRRSXBNWZOI-UHFFFAOYSA-N -1 1 338.406 2.819 20 10 EFCDMM Cc1nnc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])n1C ZINC001321025132 1329332782 /nfs/dbraw/zinc/33/27/82/1329332782.db2.gz ZJSOPVFMHMBBNY-ZETCQYMHSA-N -1 1 343.200 2.582 20 10 EFCDMM CN(C)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000736778813 1427396058 /nfs/dbraw/zinc/39/60/58/1427396058.db2.gz GBJIKLQNWUSHBP-UHFFFAOYSA-N -1 1 347.785 2.732 20 10 EFCDMM Cc1cc(C(=O)NC2CC=CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822169185 1423409343 /nfs/dbraw/zinc/40/93/43/1423409343.db2.gz YZAJGYCCXSYXCU-UHFFFAOYSA-N -1 1 348.410 2.723 20 10 EFCDMM COc1ccc(O)c([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821838515 1423989879 /nfs/dbraw/zinc/98/98/79/1423989879.db2.gz OGNXDCUBGCGTFQ-QMMMGPOBSA-N -1 1 346.778 2.802 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000826209045 1425498039 /nfs/dbraw/zinc/49/80/39/1425498039.db2.gz KIOVOVFOQFECFB-UHFFFAOYSA-N -1 1 325.372 2.520 20 10 EFCDMM CCc1noc(-c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)n1 ZINC000736711293 1425561221 /nfs/dbraw/zinc/56/12/21/1425561221.db2.gz USSOYQXBBXYTPU-UHFFFAOYSA-N -1 1 335.371 2.887 20 10 EFCDMM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)cc2)c(O)cc1C ZINC000826179364 1427175190 /nfs/dbraw/zinc/17/51/90/1427175190.db2.gz LRSFARVZVYVVCB-UHFFFAOYSA-N -1 1 325.372 2.526 20 10 EFCDMM COc1ccc2c(c1)CCCN2Cc1cccc(-c2nnn[n-]2)c1F ZINC000826213496 1430168905 /nfs/dbraw/zinc/16/89/05/1430168905.db2.gz YVYIHADKUMHZQN-UHFFFAOYSA-N -1 1 339.374 2.967 20 10 EFCDMM CCOc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825639489 1442375316 /nfs/dbraw/zinc/37/53/16/1442375316.db2.gz XVUSMNJOOHTCED-UHFFFAOYSA-N -1 1 339.399 2.910 20 10 EFCDMM CN(C)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1F ZINC000736778266 1443459973 /nfs/dbraw/zinc/45/99/73/1443459973.db2.gz DXNHMOOECNNIIB-UHFFFAOYSA-N -1 1 347.785 2.732 20 10 EFCDMM COc1ccc2c(c1)CCCCN2Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826213257 1443724751 /nfs/dbraw/zinc/72/47/51/1443724751.db2.gz QRZNNUDKOYPVRC-UHFFFAOYSA-N -1 1 336.399 2.613 20 10 EFCDMM FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1nn[n-]n1 ZINC000751558244 1447245969 /nfs/dbraw/zinc/24/59/69/1447245969.db2.gz QWUVXZXPTFTVES-UHFFFAOYSA-N -1 1 340.334 2.918 20 10 EFCDMM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)cc(OC)c1[O-] ZINC000935949422 718792879 /nfs/dbraw/zinc/79/28/79/718792879.db2.gz ZPIGMDNXDRARMQ-UHFFFAOYSA-N -1 1 336.384 2.831 20 10 EFCDMM COC(=O)[C@@H](CC1CC1)NCc1cc(C)cc(Br)c1[O-] ZINC000840958094 719195929 /nfs/dbraw/zinc/19/59/29/719195929.db2.gz NNILKRPPBSOCSM-CYBMUJFWSA-N -1 1 342.233 2.894 20 10 EFCDMM CC(=O)OC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894030817 720230638 /nfs/dbraw/zinc/23/06/38/720230638.db2.gz LZIFEANJYBFVIA-UHFFFAOYSA-N -1 1 346.196 2.821 20 10 EFCDMM O=C(C1=CC(=O)CS1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000732264116 727011915 /nfs/dbraw/zinc/01/19/15/727011915.db2.gz PTHUCVNRFJNHHF-UHFFFAOYSA-N -1 1 331.393 2.894 20 10 EFCDMM CC(C)C[C@H]1CN(C)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375134 727435535 /nfs/dbraw/zinc/43/55/35/727435535.db2.gz PAYAAWNXSFZGDX-ZKKXHLJNSA-N -1 1 347.415 2.859 20 10 EFCDMM O=C([O-])C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000911743583 727591744 /nfs/dbraw/zinc/59/17/44/727591744.db2.gz GASLTDDPBZZREO-UHFFFAOYSA-N -1 1 332.183 2.960 20 10 EFCDMM Cc1cc(C)cc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916590398 727698856 /nfs/dbraw/zinc/69/88/56/727698856.db2.gz XBQYYUVASHWACI-UHFFFAOYSA-N -1 1 330.336 2.520 20 10 EFCDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000033813078 729065864 /nfs/dbraw/zinc/06/58/64/729065864.db2.gz HTQRWSJMTYLYGB-UHFFFAOYSA-N -1 1 328.733 2.755 20 10 EFCDMM O=C(NCc1ccc(N2CCOCC2)cc1)c1c([O-])cccc1Cl ZINC000920459673 729185257 /nfs/dbraw/zinc/18/52/57/729185257.db2.gz FIURPHMOPOULHN-UHFFFAOYSA-N -1 1 346.814 2.812 20 10 EFCDMM CCCCCC[C@H](C)NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920977150 729250191 /nfs/dbraw/zinc/25/01/91/729250191.db2.gz ZWMPYDGFAMSDMP-LFGHMXSPSA-N -1 1 339.505 2.718 20 10 EFCDMM C[C@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CC[C@@H]1C(=O)[O-] ZINC000691422289 954684175 /nfs/dbraw/zinc/68/41/75/954684175.db2.gz NFFNAKLWXNPTPB-CABZTGNLSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CC[C@@H]1C(=O)[O-] ZINC000691422289 954684183 /nfs/dbraw/zinc/68/41/83/954684183.db2.gz NFFNAKLWXNPTPB-CABZTGNLSA-N -1 1 328.206 2.697 20 10 EFCDMM COc1ccc(N2CCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000034684015 957193260 /nfs/dbraw/zinc/19/32/60/957193260.db2.gz CNLRHPRYLGOAPL-UHFFFAOYSA-N -1 1 326.396 2.716 20 10 EFCDMM C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994237 968983931 /nfs/dbraw/zinc/98/39/31/968983931.db2.gz WLBSPMYCZSXETL-ONGXEEELSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994237 968983937 /nfs/dbraw/zinc/98/39/37/968983937.db2.gz WLBSPMYCZSXETL-ONGXEEELSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706674446 969018205 /nfs/dbraw/zinc/01/82/05/969018205.db2.gz ZFLUMEJIKFUCOU-UWVGGRQHSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706674446 969018212 /nfs/dbraw/zinc/01/82/12/969018212.db2.gz ZFLUMEJIKFUCOU-UWVGGRQHSA-N -1 1 328.206 2.697 20 10 EFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC001605101917 972755568 /nfs/dbraw/zinc/75/55/68/972755568.db2.gz IORSXAHJDUYHJG-CQSZACIVSA-N -1 1 328.206 2.902 20 10 EFCDMM O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691421183 976354757 /nfs/dbraw/zinc/35/47/57/976354757.db2.gz GCPUZMKAXHDSGC-GFCCVEGCSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@H]1CCCCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691421183 976354767 /nfs/dbraw/zinc/35/47/67/976354767.db2.gz GCPUZMKAXHDSGC-GFCCVEGCSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1c([O-])cccc1Br ZINC000706649729 977357491 /nfs/dbraw/zinc/35/74/91/977357491.db2.gz VGPBARAYDLBGRH-BFVZDQMLSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c([O-])cccc1Br ZINC000706649729 977357494 /nfs/dbraw/zinc/35/74/94/977357494.db2.gz VGPBARAYDLBGRH-BFVZDQMLSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC000706674368 977358120 /nfs/dbraw/zinc/35/81/20/977358120.db2.gz QXPFFIVXAMJMPD-NSHDSACASA-N -1 1 340.217 2.841 20 10 EFCDMM CCCN(CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC001595846296 982772942 /nfs/dbraw/zinc/77/29/42/982772942.db2.gz RALWOXUPJMEGHG-UHFFFAOYSA-N -1 1 342.395 2.941 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1[O-] ZINC001589267703 985947497 /nfs/dbraw/zinc/94/74/97/985947497.db2.gz HVCDUWMLXIOTLL-OTYXRUKQSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1[O-] ZINC001589267703 985947509 /nfs/dbraw/zinc/94/75/09/985947509.db2.gz HVCDUWMLXIOTLL-OTYXRUKQSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC001589268260 985953357 /nfs/dbraw/zinc/95/33/57/985953357.db2.gz PXUITMRXFKBDCD-MRXNPFEDSA-N -1 1 325.792 2.935 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC001589268260 985953368 /nfs/dbraw/zinc/95/33/68/985953368.db2.gz PXUITMRXFKBDCD-MRXNPFEDSA-N -1 1 325.792 2.935 20 10 EFCDMM CSc1cc(O)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001599809296 988306560 /nfs/dbraw/zinc/30/65/60/988306560.db2.gz AJOKDQOFVOMGIU-UHFFFAOYSA-N -1 1 345.423 2.675 20 10 EFCDMM CC(C)C[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])C(=O)[O-] ZINC001591160091 991905021 /nfs/dbraw/zinc/90/50/21/991905021.db2.gz JDIXTGAGOQXKRK-NSHDSACASA-N -1 1 330.222 2.991 20 10 EFCDMM CN(C)c1ccc(CN(C)Cn2ncc3cc(C(=O)[O-])ccc32)cc1 ZINC001598519025 992655656 /nfs/dbraw/zinc/65/56/56/992655656.db2.gz DRCYRKMPSKXRPT-UHFFFAOYSA-N -1 1 338.411 2.890 20 10 EFCDMM COc1ccc(O)c([C@@H](C)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)c1 ZINC001599597982 993773649 /nfs/dbraw/zinc/77/36/49/993773649.db2.gz CSYWCZVRHILNHJ-SNVBAGLBSA-N -1 1 341.367 2.826 20 10 EFCDMM C[C@H](NCc1nccn1CC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593316999 994814566 /nfs/dbraw/zinc/81/45/66/994814566.db2.gz LMQYHVZPTIQXNU-VIFPVBQESA-N -1 1 343.305 2.700 20 10 EFCDMM C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@](C)(O)C(=O)[O-] ZINC001593710307 996208768 /nfs/dbraw/zinc/20/87/68/996208768.db2.gz KXDMPONSJCLSKM-AUUYWEPGSA-N -1 1 329.396 2.791 20 10 EFCDMM COc1ccc(CNCc2cc(C(=O)[O-])co2)cc1Cn1cccn1 ZINC001599573174 998398203 /nfs/dbraw/zinc/39/82/03/998398203.db2.gz SLNQFBIPYSLODH-UHFFFAOYSA-N -1 1 341.367 2.521 20 10 EFCDMM COc1c(Br)cccc1C=C1SC(=S)[N-]C1=O ZINC000588506947 1092659044 /nfs/dbraw/zinc/65/90/44/1092659044.db2.gz JWFZYVZLUFVQTB-VMPITWQZSA-N -1 1 330.228 2.947 20 10 EFCDMM Cc1cc([O-])c(C[NH2+][C@H](CC2CCOCC2)C(=O)[O-])cc1Cl ZINC001600285702 1094946287 /nfs/dbraw/zinc/94/62/87/1094946287.db2.gz GGCISGKPRUSBAU-CQSZACIVSA-N -1 1 327.808 2.714 20 10 EFCDMM Cc1cc([O-])c(C[NH2+][C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1Cl ZINC001600285696 1094946428 /nfs/dbraw/zinc/94/64/28/1094946428.db2.gz GDPZHKIAYCPNIP-FZMZJTMJSA-N -1 1 327.808 2.714 20 10 EFCDMM O=C([O-])[C@H](CC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC001601640023 1095780304 /nfs/dbraw/zinc/78/03/04/1095780304.db2.gz GRDWZVBKFRBOHA-QMMMGPOBSA-N -1 1 342.111 2.650 20 10 EFCDMM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001601707919 1095856213 /nfs/dbraw/zinc/85/62/13/1095856213.db2.gz WHKGFABAFAWDEE-GFCCVEGCSA-N -1 1 325.233 2.509 20 10 EFCDMM O=C([O-])CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H]1CCCO1 ZINC001602006491 1096018114 /nfs/dbraw/zinc/01/81/14/1096018114.db2.gz DAQKKYPWNSELFG-JTQLQIEISA-N -1 1 331.771 2.640 20 10 EFCDMM O=C([O-])C[N@H+](CCCc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC001602054808 1096043785 /nfs/dbraw/zinc/04/37/85/1096043785.db2.gz CLAYUZIZMVKBJD-UHFFFAOYSA-N -1 1 334.803 2.960 20 10 EFCDMM O=C([O-])C[N@@H+](CCCc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC001602054808 1096043796 /nfs/dbraw/zinc/04/37/96/1096043796.db2.gz CLAYUZIZMVKBJD-UHFFFAOYSA-N -1 1 334.803 2.960 20 10 EFCDMM O=C([O-])C[N@H+](CCc1cscn1)Cc1cc(Cl)ccc1[O-] ZINC001602057048 1096044696 /nfs/dbraw/zinc/04/46/96/1096044696.db2.gz YPWGGMFAOZKRHA-UHFFFAOYSA-N -1 1 326.805 2.631 20 10 EFCDMM O=C([O-])C[N@@H+](CCc1cscn1)Cc1cc(Cl)ccc1[O-] ZINC001602057048 1096044709 /nfs/dbraw/zinc/04/47/09/1096044709.db2.gz YPWGGMFAOZKRHA-UHFFFAOYSA-N -1 1 326.805 2.631 20 10 EFCDMM O=C([O-])Cc1occc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001602155331 1096094484 /nfs/dbraw/zinc/09/44/84/1096094484.db2.gz FNACNOQANUDJOZ-UHFFFAOYSA-N -1 1 344.150 2.849 20 10 EFCDMM O=C([O-])[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1c1ccc(O)cc1 ZINC001602188891 1096109264 /nfs/dbraw/zinc/10/92/64/1096109264.db2.gz KNZJGPGINSIKKW-LSDHHAIUSA-N -1 1 349.333 2.676 20 10 EFCDMM C(=Cc1cnc(-c2nnn[n-]2)cn1)c1ccc(N2CCCCC2)cc1 ZINC001602745478 1096361769 /nfs/dbraw/zinc/36/17/69/1096361769.db2.gz HIUQVCINNTZNOV-DAXSKMNVSA-N -1 1 333.399 2.817 20 10 EFCDMM C(=Cc1cnc(-c2nn[n-]n2)cn1)c1ccc(N2CCCCC2)cc1 ZINC001602745478 1096361777 /nfs/dbraw/zinc/36/17/77/1096361777.db2.gz HIUQVCINNTZNOV-DAXSKMNVSA-N -1 1 333.399 2.817 20 10 EFCDMM C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(Br)cc1[O-])C1CCC1 ZINC001603198084 1096471333 /nfs/dbraw/zinc/47/13/33/1096471333.db2.gz DCLJIGXAGDUSND-SECBINFHSA-N -1 1 328.206 2.982 20 10 EFCDMM C[C@H](C(=O)[O-])[N@H+](Cc1ccc(Br)cc1[O-])C1CCC1 ZINC001603198084 1096471325 /nfs/dbraw/zinc/47/13/25/1096471325.db2.gz DCLJIGXAGDUSND-SECBINFHSA-N -1 1 328.206 2.982 20 10 EFCDMM C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC001603197791 1096471727 /nfs/dbraw/zinc/47/17/27/1096471727.db2.gz AHGBMXNBXRYECY-MRVPVSSYSA-N -1 1 328.752 2.781 20 10 EFCDMM C[C@@H](C(=O)[O-])[N@H+](Cc1ccc(Br)cc1[O-])C1CCC1 ZINC001603198085 1096471999 /nfs/dbraw/zinc/47/19/99/1096471999.db2.gz DCLJIGXAGDUSND-VIFPVBQESA-N -1 1 328.206 2.982 20 10 EFCDMM C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(Br)cc1[O-])C1CCC1 ZINC001603198085 1096472001 /nfs/dbraw/zinc/47/20/01/1096472001.db2.gz DCLJIGXAGDUSND-VIFPVBQESA-N -1 1 328.206 2.982 20 10 EFCDMM C[C@@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603685869 1096590396 /nfs/dbraw/zinc/59/03/96/1096590396.db2.gz KVRFKSWDWXMSGX-MNOVXSKESA-N -1 1 339.403 2.913 20 10 EFCDMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC001604323374 1096810295 /nfs/dbraw/zinc/81/02/95/1096810295.db2.gz ZLJDYMVPYGKANF-NWDGAFQWSA-N -1 1 344.415 2.820 20 10 EFCDMM CN(C)c1ccc(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC001606054092 1097307722 /nfs/dbraw/zinc/30/77/22/1097307722.db2.gz LXIRUPPTCQWPOB-UHFFFAOYSA-N -1 1 326.396 2.845 20 10 EFCDMM CN(C)c1ccc(CN2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC001606054092 1097307727 /nfs/dbraw/zinc/30/77/27/1097307727.db2.gz LXIRUPPTCQWPOB-UHFFFAOYSA-N -1 1 326.396 2.845 20 10 EFCDMM C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001606147893 1097328160 /nfs/dbraw/zinc/32/81/60/1097328160.db2.gz WMANIXSEXYDEAG-ZDUSSCGKSA-N -1 1 331.771 2.639 20 10 EFCDMM CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])C1 ZINC001606739395 1097449026 /nfs/dbraw/zinc/44/90/26/1097449026.db2.gz JGHLPLONUVWWAG-WDBKCZKBSA-N -1 1 327.808 2.794 20 10 EFCDMM C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C(=O)[O-])O1 ZINC001607438156 1097628964 /nfs/dbraw/zinc/62/89/64/1097628964.db2.gz ZICXQQXKJAEIQH-DIFFPNOSSA-N -1 1 345.395 2.691 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C(=O)[O-])O1 ZINC001607438156 1097628969 /nfs/dbraw/zinc/62/89/69/1097628969.db2.gz ZICXQQXKJAEIQH-DIFFPNOSSA-N -1 1 345.395 2.691 20 10 EFCDMM Cc1cc([O-])c(C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1Cl ZINC001607698680 1097702382 /nfs/dbraw/zinc/70/23/82/1097702382.db2.gz CZSDLURSJMLFQN-CYBMUJFWSA-N -1 1 327.808 2.810 20 10 EFCDMM Cc1cc([O-])c(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1Cl ZINC001607698680 1097702386 /nfs/dbraw/zinc/70/23/86/1097702386.db2.gz CZSDLURSJMLFQN-CYBMUJFWSA-N -1 1 327.808 2.810 20 10 EFCDMM O=C([O-])C[C@H]1COCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC001608702544 1097994602 /nfs/dbraw/zinc/99/46/02/1097994602.db2.gz PYUPYXPFOLCDFS-ZDUSSCGKSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[C@H]1COCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC001608702544 1097994606 /nfs/dbraw/zinc/99/46/06/1097994606.db2.gz PYUPYXPFOLCDFS-ZDUSSCGKSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[C@H]1COCCN1Cc1cc2oc3ccccc3c2cc1O ZINC001608702544 1097994613 /nfs/dbraw/zinc/99/46/13/1097994613.db2.gz PYUPYXPFOLCDFS-ZDUSSCGKSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[N@H+](CCC[C@@H]1CCOC1)Cc1cc(Cl)ccc1[O-] ZINC001608745325 1098008462 /nfs/dbraw/zinc/00/84/62/1098008462.db2.gz ADKJAXAGALNDDI-GFCCVEGCSA-N -1 1 327.808 2.749 20 10 EFCDMM O=C([O-])C[N@@H+](CCC[C@@H]1CCOC1)Cc1cc(Cl)ccc1[O-] ZINC001608745325 1098008467 /nfs/dbraw/zinc/00/84/67/1098008467.db2.gz ADKJAXAGALNDDI-GFCCVEGCSA-N -1 1 327.808 2.749 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001608746802 1098009366 /nfs/dbraw/zinc/00/93/66/1098009366.db2.gz MVWNGUMGPIFQJB-DIOULYMOSA-N -1 1 339.819 2.890 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001608746802 1098009370 /nfs/dbraw/zinc/00/93/70/1098009370.db2.gz MVWNGUMGPIFQJB-DIOULYMOSA-N -1 1 339.819 2.890 20 10 EFCDMM Cc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001609404151 1098292768 /nfs/dbraw/zinc/29/27/68/1098292768.db2.gz GAOPXNMZOXJRMM-UHFFFAOYSA-N -1 1 349.442 2.805 20 10 EFCDMM Cc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001609404151 1098292772 /nfs/dbraw/zinc/29/27/72/1098292772.db2.gz GAOPXNMZOXJRMM-UHFFFAOYSA-N -1 1 349.442 2.805 20 10 EFCDMM C[C@@H](NCc1ncnn1-c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001609777804 1098454274 /nfs/dbraw/zinc/45/42/74/1098454274.db2.gz DPRGYTDPFMMVHN-GFCCVEGCSA-N -1 1 338.367 2.522 20 10 EFCDMM O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC001610725785 1098851749 /nfs/dbraw/zinc/85/17/49/1098851749.db2.gz JFEXAMQXGGNGMQ-HNNXBMFYSA-N -1 1 340.301 2.779 20 10 EFCDMM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC001610725785 1098851755 /nfs/dbraw/zinc/85/17/55/1098851755.db2.gz JFEXAMQXGGNGMQ-HNNXBMFYSA-N -1 1 340.301 2.779 20 10 EFCDMM O=C([O-])c1cncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC001610861690 1098941327 /nfs/dbraw/zinc/94/13/27/1098941327.db2.gz CMHVTXJONSVEGT-UHFFFAOYSA-N -1 1 341.150 2.722 20 10 EFCDMM CN(c1cccc([O-])c1Cl)S(=O)(=O)Cc1ccc(N)cc1 ZINC001210855743 1102908685 /nfs/dbraw/zinc/90/86/85/1102908685.db2.gz UNDGMLXVTMDSBU-UHFFFAOYSA-N -1 1 326.805 2.594 20 10 EFCDMM CCOCc1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905411338 1103153086 /nfs/dbraw/zinc/15/30/86/1103153086.db2.gz JATVUTZZGZRUQS-UHFFFAOYSA-N -1 1 346.156 2.825 20 10 EFCDMM CC(C)(C)n1[nH]cnc1=NCc1cc(Br)cc(F)c1[O-] ZINC000905412393 1103156091 /nfs/dbraw/zinc/15/60/91/1103156091.db2.gz GGKSPOXQMLFHFR-UHFFFAOYSA-N -1 1 343.200 2.674 20 10 EFCDMM Nc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001212007699 1104880389 /nfs/dbraw/zinc/88/03/89/1104880389.db2.gz YGAPDDXAMNYNPP-UHFFFAOYSA-N -1 1 334.731 2.707 20 10 EFCDMM CCOc1cccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001142527261 1106182404 /nfs/dbraw/zinc/18/24/04/1106182404.db2.gz QPRMDYMGGQAFJS-UHFFFAOYSA-N -1 1 349.381 2.786 20 10 EFCDMM CO[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC001120637007 1106979939 /nfs/dbraw/zinc/97/99/39/1106979939.db2.gz XNZSXBKJIKFIAL-CMPLNLGQSA-N -1 1 328.206 2.586 20 10 EFCDMM Cc1ncc2n1CCN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC001236664091 1113068433 /nfs/dbraw/zinc/06/84/33/1113068433.db2.gz SHVDXLABOXHSGA-UHFFFAOYSA-N -1 1 336.233 2.984 20 10 EFCDMM CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236800528 1118017022 /nfs/dbraw/zinc/01/70/22/1118017022.db2.gz VQSOSIKJQKSHOR-SNVBAGLBSA-N -1 1 338.256 2.708 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000247493518 240281248 /nfs/dbraw/zinc/28/12/48/240281248.db2.gz XBCGZCQAZXMFDX-CVEARBPZSA-N -1 1 339.819 2.628 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000247493524 240281628 /nfs/dbraw/zinc/28/16/28/240281628.db2.gz XBCGZCQAZXMFDX-HZPDHXFCSA-N -1 1 339.819 2.628 20 10 EFCDMM COc1cccc(C2(CNC(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000295898930 241067435 /nfs/dbraw/zinc/06/74/35/241067435.db2.gz CYRIDGOSWXAKTK-UHFFFAOYSA-N -1 1 331.343 2.707 20 10 EFCDMM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000296342808 241083716 /nfs/dbraw/zinc/08/37/16/241083716.db2.gz QKJDJQYDHMJFSJ-WFASDCNBSA-N -1 1 331.343 2.887 20 10 EFCDMM O=C(NCc1c(F)cccc1N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000296403360 241085225 /nfs/dbraw/zinc/08/52/25/241085225.db2.gz ZROKMYUQJFAWLY-UHFFFAOYSA-N -1 1 348.349 2.906 20 10 EFCDMM CC[C@@H](NC(c1nccn1C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000527949993 316502464 /nfs/dbraw/zinc/50/24/64/316502464.db2.gz VITCQAUUTLHWDX-CQSZACIVSA-N -1 1 343.406 2.829 20 10 EFCDMM O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc([O-])c(O)c1 ZINC000008250181 471675032 /nfs/dbraw/zinc/67/50/32/471675032.db2.gz BHVQKHJFAJFKBC-UHFFFAOYSA-N -1 1 331.397 2.877 20 10 EFCDMM O=S(=O)([N-]c1cccc(F)c1F)c1cccc2nsnc21 ZINC000067124789 471994842 /nfs/dbraw/zinc/99/48/42/471994842.db2.gz SYRUVBGSFUNOPH-UHFFFAOYSA-N -1 1 327.337 2.770 20 10 EFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000080502880 473042311 /nfs/dbraw/zinc/04/23/11/473042311.db2.gz CGPNYLMCSDGVCW-UHFFFAOYSA-N -1 1 346.456 2.551 20 10 EFCDMM CCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1C ZINC000288097732 473846604 /nfs/dbraw/zinc/84/66/04/473846604.db2.gz ANUSSUSQRILNOP-UHFFFAOYSA-N -1 1 347.799 2.819 20 10 EFCDMM C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000282062891 473935282 /nfs/dbraw/zinc/93/52/82/473935282.db2.gz MKUCUPCNGNXDDF-IGJMFERPSA-N -1 1 328.206 2.584 20 10 EFCDMM CC(C)(C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000282489852 474085801 /nfs/dbraw/zinc/08/58/01/474085801.db2.gz JQPLVSNKOXVZKW-UHFFFAOYSA-N -1 1 336.251 2.620 20 10 EFCDMM CCC[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1O ZINC000183026835 474308175 /nfs/dbraw/zinc/30/81/75/474308175.db2.gz LBNHCETWETUNRZ-UHFFFAOYSA-N -1 1 337.427 2.839 20 10 EFCDMM COc1c([O-])c(CN2CCCC[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000289958425 474502093 /nfs/dbraw/zinc/50/20/93/474502093.db2.gz YFYZBFBJBVDSSX-CYBMUJFWSA-N -1 1 348.359 2.728 20 10 EFCDMM C[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277458007 474585697 /nfs/dbraw/zinc/58/56/97/474585697.db2.gz GRURTQLPHXTZFA-ZJUUUORDSA-N -1 1 328.206 2.586 20 10 EFCDMM CN(CCCCNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000276510346 474565133 /nfs/dbraw/zinc/56/51/33/474565133.db2.gz BBTPWVIOKPSYLV-UHFFFAOYSA-N -1 1 332.375 2.883 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](Nc2ccccc2)C1 ZINC000276662331 474568862 /nfs/dbraw/zinc/56/88/62/474568862.db2.gz YFIWRMCYYTWSPQ-ZDUSSCGKSA-N -1 1 330.359 2.954 20 10 EFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000276797086 474571659 /nfs/dbraw/zinc/57/16/59/474571659.db2.gz DLHMIJQDKJMARD-UHFFFAOYSA-N -1 1 337.397 2.773 20 10 EFCDMM O=C1N[C@@H](c2cc(Cl)c3ccccc3c2[O-])N2CCSC[C@H]12 ZINC000271581440 474582254 /nfs/dbraw/zinc/58/22/54/474582254.db2.gz CFNUNSXVFHBZDD-UKRRQHHQSA-N -1 1 334.828 2.745 20 10 EFCDMM COCCC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277456101 474586760 /nfs/dbraw/zinc/58/67/60/474586760.db2.gz GPXNQUMIAWLLGH-UHFFFAOYSA-N -1 1 330.222 2.834 20 10 EFCDMM COCCC[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277555650 474589991 /nfs/dbraw/zinc/58/99/91/474589991.db2.gz OTKXKUHDHFMKQY-SNVBAGLBSA-N -1 1 330.222 2.834 20 10 EFCDMM CC[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277635601 474591841 /nfs/dbraw/zinc/59/18/41/474591841.db2.gz XMAIOEMBDRMQGM-CMPLNLGQSA-N -1 1 342.233 2.976 20 10 EFCDMM CC(C)c1cc(C(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000277653176 474592481 /nfs/dbraw/zinc/59/24/81/474592481.db2.gz ZDDXWDJXPUXEKG-UHFFFAOYSA-N -1 1 338.205 2.931 20 10 EFCDMM COc1c([O-])c(CN2CCOC[C@@H]2c2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000278238770 474603408 /nfs/dbraw/zinc/60/34/08/474603408.db2.gz NRIVSWYQVRKWEV-CQSZACIVSA-N -1 1 348.355 2.784 20 10 EFCDMM COc1c([O-])c(CN2CCOC[C@H]2c2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000278238767 474603435 /nfs/dbraw/zinc/60/34/35/474603435.db2.gz NRIVSWYQVRKWEV-AWEZNQCLSA-N -1 1 348.355 2.784 20 10 EFCDMM COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560923 474619002 /nfs/dbraw/zinc/61/90/02/474619002.db2.gz NBCMQXAYGWMUBN-CJNGLKHVSA-N -1 1 336.388 2.698 20 10 EFCDMM COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280468042 475027554 /nfs/dbraw/zinc/02/75/54/475027554.db2.gz MWCOMKGABZNXCW-NVGCLXPQSA-N -1 1 341.835 2.823 20 10 EFCDMM COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280468061 475027976 /nfs/dbraw/zinc/02/79/76/475027976.db2.gz MWCOMKGABZNXCW-XWCIJXRUSA-N -1 1 341.835 2.823 20 10 EFCDMM CC(C)[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nncn1C ZINC000285537368 475029429 /nfs/dbraw/zinc/02/94/29/475029429.db2.gz POYNXTUUEQUYCP-LBPRGKRZSA-N -1 1 339.783 2.569 20 10 EFCDMM Cc1ccc(C)c(N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)c1 ZINC000295033053 475099269 /nfs/dbraw/zinc/09/92/69/475099269.db2.gz SNEVGRYCWBWPOJ-UHFFFAOYSA-N -1 1 344.386 2.816 20 10 EFCDMM COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000295071691 475102055 /nfs/dbraw/zinc/10/20/55/475102055.db2.gz PIOWJQJADBTFDC-HNNXBMFYSA-N -1 1 348.226 2.711 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000295390057 475123917 /nfs/dbraw/zinc/12/39/17/475123917.db2.gz LFOLFISYHLIPTL-QGZVFWFLSA-N -1 1 345.370 2.823 20 10 EFCDMM CCS[C@@H](C)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273989164 475151976 /nfs/dbraw/zinc/15/19/76/475151976.db2.gz QDYVVUWRYGSJBQ-QMMMGPOBSA-N -1 1 343.430 2.628 20 10 EFCDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000529173357 479073822 /nfs/dbraw/zinc/07/38/22/479073822.db2.gz SVRHKYQCWKTNIU-BSTOTGJRSA-N -1 1 342.233 2.830 20 10 EFCDMM COc1c([O-])c(CN2CCC[C@@H]2c2cc(C)on2)ccc1[N+](=O)[O-] ZINC000364459612 536861660 /nfs/dbraw/zinc/86/16/60/536861660.db2.gz KGAIIOBLZGUHGO-CYBMUJFWSA-N -1 1 333.344 2.943 20 10 EFCDMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000297340568 536933797 /nfs/dbraw/zinc/93/37/97/536933797.db2.gz AYFXHQRJGGRGAR-BMLIUANNSA-N -1 1 349.358 2.752 20 10 EFCDMM C[C@@H](NCc1nncn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756400331 575731171 /nfs/dbraw/zinc/73/11/71/575731171.db2.gz JZGGUNCONSUTGF-SSDOTTSWSA-N -1 1 345.628 2.787 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000758274698 575865454 /nfs/dbraw/zinc/86/54/54/575865454.db2.gz XPUHWOSQOXGPGN-UHFFFAOYSA-N -1 1 349.343 2.620 20 10 EFCDMM Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000758293789 575865826 /nfs/dbraw/zinc/86/58/26/575865826.db2.gz ONPCLJJVEFQICP-UHFFFAOYSA-N -1 1 337.382 2.613 20 10 EFCDMM Nc1ncnc(NCc2cccc(Br)c2[O-])c1Cl ZINC000764934114 576525938 /nfs/dbraw/zinc/52/59/38/576525938.db2.gz JORWJXCPGZGFBU-UHFFFAOYSA-N -1 1 329.585 2.792 20 10 EFCDMM CCc1cc(NCc2cccc(Br)c2[O-])n2ncnc2n1 ZINC000764934799 576526145 /nfs/dbraw/zinc/52/61/45/576526145.db2.gz MERXTTGBDLJCIY-UHFFFAOYSA-N -1 1 348.204 2.767 20 10 EFCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000765330391 577032750 /nfs/dbraw/zinc/03/27/50/577032750.db2.gz VJECKKNONZMCPR-UHFFFAOYSA-N -1 1 336.189 2.602 20 10 EFCDMM O=C(NCc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000765419128 577040234 /nfs/dbraw/zinc/04/02/34/577040234.db2.gz DTTSVXIOHSIYIR-UHFFFAOYSA-N -1 1 336.189 2.549 20 10 EFCDMM CC(=O)c1c[nH]c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765728551 577070946 /nfs/dbraw/zinc/07/09/46/577070946.db2.gz VLLAMKDHYUVFCB-UHFFFAOYSA-N -1 1 337.173 2.615 20 10 EFCDMM C[C@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCC1=O ZINC000765730974 577071134 /nfs/dbraw/zinc/07/11/34/577071134.db2.gz WNBQUIQHCQYVTN-UWVGGRQHSA-N -1 1 340.217 2.776 20 10 EFCDMM CC1(C(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000765755298 577072841 /nfs/dbraw/zinc/07/28/41/577072841.db2.gz IEWOEVQCJBTCGG-UHFFFAOYSA-N -1 1 328.206 2.588 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn2ccccc12 ZINC000765764442 577074078 /nfs/dbraw/zinc/07/40/78/577074078.db2.gz KCVDYWDQXRABIV-UHFFFAOYSA-N -1 1 346.184 2.732 20 10 EFCDMM C[C@@H]1COCCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000772825214 581372769 /nfs/dbraw/zinc/37/27/69/581372769.db2.gz QFVYFPDGCKPCEI-CQSZACIVSA-N -1 1 341.407 2.940 20 10 EFCDMM C[C@@H]1COCCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000772825214 581372772 /nfs/dbraw/zinc/37/27/72/581372772.db2.gz QFVYFPDGCKPCEI-CQSZACIVSA-N -1 1 341.407 2.940 20 10 EFCDMM Cn1cnc2c1CCN(Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC000739050436 600426588 /nfs/dbraw/zinc/42/65/88/600426588.db2.gz ZWNSFAARAZHERE-UHFFFAOYSA-N -1 1 337.379 2.535 20 10 EFCDMM Cc1noc(C)c1CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833757534 604616564 /nfs/dbraw/zinc/61/65/64/604616564.db2.gz FMVZYYRBRCSEQL-UHFFFAOYSA-N -1 1 338.791 2.780 20 10 EFCDMM Cc1noc(C)c1CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833757534 604616568 /nfs/dbraw/zinc/61/65/68/604616568.db2.gz FMVZYYRBRCSEQL-UHFFFAOYSA-N -1 1 338.791 2.780 20 10 EFCDMM COc1cc(O)c(CN2CCc3ccc(C(=O)[O-])cc3C2)cc1OC ZINC000833728296 604796772 /nfs/dbraw/zinc/79/67/72/604796772.db2.gz AABTXAXZPTTZMC-UHFFFAOYSA-N -1 1 343.379 2.666 20 10 EFCDMM C[C@@H]1C[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833594427 605478323 /nfs/dbraw/zinc/47/83/23/605478323.db2.gz CKNOQZMZSWSZII-NEPJUHHUSA-N -1 1 327.808 2.747 20 10 EFCDMM C[C@@H]1C[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833594427 605478325 /nfs/dbraw/zinc/47/83/25/605478325.db2.gz CKNOQZMZSWSZII-NEPJUHHUSA-N -1 1 327.808 2.747 20 10 EFCDMM COC[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000739869316 1268766686 /nfs/dbraw/zinc/76/66/86/1268766686.db2.gz HALWSHFVWUBCNC-AWEZNQCLSA-N -1 1 341.407 2.797 20 10 EFCDMM COC[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000739869316 1268766692 /nfs/dbraw/zinc/76/66/92/1268766692.db2.gz HALWSHFVWUBCNC-AWEZNQCLSA-N -1 1 341.407 2.797 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(F)c1F ZINC000792484844 1278805122 /nfs/dbraw/zinc/80/51/22/1278805122.db2.gz VISAUCDTYFINPR-UHFFFAOYSA-N -1 1 343.127 2.758 20 10 EFCDMM O=C(NCCO)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000787787412 1275911929 /nfs/dbraw/zinc/91/19/29/1275911929.db2.gz BHDAIAMEOUMACB-UHFFFAOYSA-N -1 1 338.766 2.519 20 10 EFCDMM O=C(CNc1nc(Cl)cc(C(F)(F)F)n1)c1ccc([O-])c(O)c1 ZINC001170313749 1279007716 /nfs/dbraw/zinc/00/77/16/1279007716.db2.gz DFBGZYXQMYXWMX-UHFFFAOYSA-N -1 1 347.680 2.855 20 10 EFCDMM O=C(CNc1nc2c(cc1[N+](=O)[O-])CCCC2)c1ccc([O-])c(O)c1 ZINC001170316249 1279009772 /nfs/dbraw/zinc/00/97/72/1279009772.db2.gz OUEZMYZUHZJVEN-UHFFFAOYSA-N -1 1 343.339 2.575 20 10 EFCDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc(-c2cccnc2)n1 ZINC001170316635 1279010468 /nfs/dbraw/zinc/01/04/68/1279010468.db2.gz VKOAAZSLGPIJIU-UHFFFAOYSA-N -1 1 336.351 2.553 20 10 EFCDMM CC(C)(C)OC(=O)c1cccc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316773 1279011713 /nfs/dbraw/zinc/01/17/13/1279011713.db2.gz NSEGCISNTORBBE-UHFFFAOYSA-N -1 1 344.367 2.743 20 10 EFCDMM CCOC(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC001170320697 1279013018 /nfs/dbraw/zinc/01/30/18/1279013018.db2.gz JJNQAYBTHUXGFV-UHFFFAOYSA-N -1 1 345.351 2.578 20 10 EFCDMM CN(C)Cc1c(F)cc(NCC(=O)c2ccc([O-])c(O)c2)cc1F ZINC001170320487 1279013890 /nfs/dbraw/zinc/01/38/90/1279013890.db2.gz DAHMSWNGURJJGB-UHFFFAOYSA-N -1 1 336.338 2.732 20 10 EFCDMM COc1cc(NCC(=O)c2ccc([O-])c(O)c2)c(NC(C)=O)cc1C ZINC001170321239 1279015224 /nfs/dbraw/zinc/01/52/24/1279015224.db2.gz YCZOTDQWTWELQF-UHFFFAOYSA-N -1 1 344.367 2.668 20 10 EFCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3c([O-])cccc3F)C2)cc1 ZINC000819589491 1276831143 /nfs/dbraw/zinc/83/11/43/1276831143.db2.gz RRGUSFPLSNYXJW-ZDUSSCGKSA-N -1 1 344.386 2.796 20 10 EFCDMM Cc1nc2ccccc2n1CCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789957214 1277121305 /nfs/dbraw/zinc/12/13/05/1277121305.db2.gz MXRVOFZSSJKTIB-UHFFFAOYSA-N -1 1 343.358 2.715 20 10 EFCDMM CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(CC)CC ZINC000789992374 1277152867 /nfs/dbraw/zinc/15/28/67/1277152867.db2.gz KPJPIKRVPILRQH-QWHCGFSZSA-N -1 1 325.380 2.951 20 10 EFCDMM O=C(NCc1nc(-c2ccccc2)c[nH]1)c1c(F)ccc(O)c1[O-] ZINC000790068815 1277203228 /nfs/dbraw/zinc/20/32/28/1277203228.db2.gz BOZMJEDSBZDCTO-UHFFFAOYSA-N -1 1 327.315 2.557 20 10 EFCDMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000790069848 1277205361 /nfs/dbraw/zinc/20/53/61/1277205361.db2.gz XTGMLMWEQDHZMN-MRVPVSSYSA-N -1 1 341.285 2.712 20 10 EFCDMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)c(O)cc1C(=O)OC ZINC000844664374 1279173780 /nfs/dbraw/zinc/17/37/80/1279173780.db2.gz RCBWTSZBXRNCNO-SECBINFHSA-N -1 1 333.381 2.638 20 10 EFCDMM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001144294187 1279377559 /nfs/dbraw/zinc/37/75/59/1279377559.db2.gz ZEXBOUNWPSSFSX-OTYXRUKQSA-N -1 1 330.197 2.905 20 10 EFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccncc3F)c([O-])cc21 ZINC001175200988 1287344842 /nfs/dbraw/zinc/34/48/42/1287344842.db2.gz QMZQQNMTXBUUDN-UHFFFAOYSA-N -1 1 334.306 2.867 20 10 EFCDMM O=C(COC(=O)c1ccc2c(c1)CCCC2=O)c1ccc([O-])c(O)c1 ZINC000815374937 1287466087 /nfs/dbraw/zinc/46/60/87/1287466087.db2.gz DDAKVDRAESBMOI-UHFFFAOYSA-N -1 1 340.331 2.657 20 10 EFCDMM O=C(NCc1ccc(N2CCCCC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000806666969 1281129575 /nfs/dbraw/zinc/12/95/75/1281129575.db2.gz STTOXFHHMXTELH-UHFFFAOYSA-N -1 1 338.407 2.882 20 10 EFCDMM COc1cc(Cl)cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000815459827 1287542769 /nfs/dbraw/zinc/54/27/69/1287542769.db2.gz SNXGVEJWQLUVSZ-UHFFFAOYSA-N -1 1 336.727 2.800 20 10 EFCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cnn(C2CCCC2)c1 ZINC000872361786 1287550811 /nfs/dbraw/zinc/55/08/11/1287550811.db2.gz QJHDFPXXVYQXPN-UHFFFAOYSA-N -1 1 325.365 2.644 20 10 EFCDMM CCN(CC)C(=O)CN(C)Cc1cc(Br)cc(F)c1[O-] ZINC000715758215 1284324526 /nfs/dbraw/zinc/32/45/26/1284324526.db2.gz JFLFSVRCMMNWDJ-UHFFFAOYSA-N -1 1 347.228 2.594 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(CO)c1 ZINC000813539794 1285987845 /nfs/dbraw/zinc/98/78/45/1285987845.db2.gz ZLXHGLANEMHLJF-UHFFFAOYSA-N -1 1 336.185 2.577 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN(C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000814179837 1286361638 /nfs/dbraw/zinc/36/16/38/1286361638.db2.gz HQQBDYFTPUTAQZ-LBPRGKRZSA-N -1 1 342.233 2.989 20 10 EFCDMM CC(C)(C)OC1CC(CCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000830474832 1288762847 /nfs/dbraw/zinc/76/28/47/1288762847.db2.gz QYWXNBPYPJDIHV-UHFFFAOYSA-N -1 1 325.380 2.951 20 10 EFCDMM O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001179687623 1289220310 /nfs/dbraw/zinc/22/03/10/1289220310.db2.gz PPIDAPSJPZYINV-KRXBUXKQSA-N -1 1 337.335 2.641 20 10 EFCDMM COc1ccc2c(c1)CCCN(C(=O)c1c(F)ccc(O)c1[O-])C2 ZINC000825727615 1290260826 /nfs/dbraw/zinc/26/08/26/1290260826.db2.gz UVRXLTLNNKOQOP-UHFFFAOYSA-N -1 1 331.343 2.834 20 10 EFCDMM O=C(CNC(=O)[C@@H]1CC12CCC(F)(F)CC2)c1ccc([O-])c(O)c1 ZINC001183593220 1290375386 /nfs/dbraw/zinc/37/53/86/1290375386.db2.gz JNEOCICNWWJTBT-NSHDSACASA-N -1 1 339.338 2.612 20 10 EFCDMM CN(C1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@H]1CCOC1 ZINC001203579749 1290412315 /nfs/dbraw/zinc/41/23/15/1290412315.db2.gz DDWYEFKNJJKMSG-LBPRGKRZSA-N -1 1 331.243 2.604 20 10 EFCDMM C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C[C@]1(C)O ZINC001233027173 1312835508 /nfs/dbraw/zinc/83/55/08/1312835508.db2.gz LWZTUHFMSOOHIS-OTYXRUKQSA-N -1 1 332.213 2.887 20 10 EFCDMM [O-]c1cc(Br)cc(F)c1CN1CCCC2(COC2)C1 ZINC001233028680 1312835746 /nfs/dbraw/zinc/83/57/46/1312835746.db2.gz SPVBXKNTYNNSCU-UHFFFAOYSA-N -1 1 330.197 2.906 20 10 EFCDMM C[C@@H]1CO[C@@H]2CN(Cc3c([O-])cc(Br)cc3F)C[C@H]12 ZINC001233030453 1312835781 /nfs/dbraw/zinc/83/57/81/1312835781.db2.gz UILKLOUDEKMOPU-PJCOJXEDSA-N -1 1 330.197 2.761 20 10 EFCDMM CN(CC1CN(Cc2ccc(F)c(F)c2[O-])C1)C(=O)OC(C)(C)C ZINC001233076704 1312849859 /nfs/dbraw/zinc/84/98/59/1312849859.db2.gz TXSQUPBVLFMBFF-UHFFFAOYSA-N -1 1 342.386 2.969 20 10 EFCDMM Cc1cc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)ncn1 ZINC001233079896 1312850518 /nfs/dbraw/zinc/85/05/18/1312850518.db2.gz MXCQYPKPSYELAS-UHFFFAOYSA-N -1 1 335.354 2.812 20 10 EFCDMM COc1cc(O)c(C[N@@H+]2CCC[C@H](C(C)=O)C2)cc1Br ZINC001233140584 1312864786 /nfs/dbraw/zinc/86/47/86/1312864786.db2.gz NMXLVKSYWPNFRX-NSHDSACASA-N -1 1 342.233 2.964 20 10 EFCDMM O=S(=O)(Cc1cccc(F)c1F)Nc1c(F)cc([O-])cc1F ZINC001189463327 1291733183 /nfs/dbraw/zinc/73/31/83/1291733183.db2.gz HPEWTVFQNBWRFF-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2c1cnn2C ZINC001233333176 1312905092 /nfs/dbraw/zinc/90/50/92/1312905092.db2.gz MHZGHYQDOCTBPM-NSHDSACASA-N -1 1 337.370 2.540 20 10 EFCDMM COCCN1CCN(Cc2c([O-])ccc(F)c2F)Cc2cccnc21 ZINC001233334093 1312906472 /nfs/dbraw/zinc/90/64/72/1312906472.db2.gz UNJPOMMLVJEGMV-UHFFFAOYSA-N -1 1 349.381 2.534 20 10 EFCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2cn(C)nc21 ZINC001233333500 1312906801 /nfs/dbraw/zinc/90/68/01/1312906801.db2.gz XYDGLBWMEDVDPV-LBPRGKRZSA-N -1 1 337.370 2.540 20 10 EFCDMM C[C@@H]1CN(C2CN(Cc3cccc(C(F)(F)F)c3[O-])C2)C[C@@H](C)O1 ZINC001233419751 1312928608 /nfs/dbraw/zinc/92/86/08/1312928608.db2.gz LCWWGDJUVQFQEQ-VXGBXAGGSA-N -1 1 344.377 2.704 20 10 EFCDMM COc1ncnc2c1CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233418643 1312928627 /nfs/dbraw/zinc/92/86/27/1312928627.db2.gz PIHJHPGMELBKMO-UHFFFAOYSA-N -1 1 339.317 2.768 20 10 EFCDMM CCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233419411 1312928934 /nfs/dbraw/zinc/92/89/34/1312928934.db2.gz WXHAATZHXNMVDV-UHFFFAOYSA-N -1 1 326.322 2.581 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC(COCC)COCC ZINC001233497097 1312942940 /nfs/dbraw/zinc/94/29/40/1312942940.db2.gz MZSMVVHFUQDXOU-UHFFFAOYSA-N -1 1 326.389 2.901 20 10 EFCDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(O)c(F)c3)c2)o1 ZINC001192264562 1292849323 /nfs/dbraw/zinc/84/93/23/1292849323.db2.gz LTIANYJQIRGELC-UHFFFAOYSA-N -1 1 349.343 2.691 20 10 EFCDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)c2)o1 ZINC001192266022 1292850410 /nfs/dbraw/zinc/85/04/10/1292850410.db2.gz YUGDWADFXSUWGR-UHFFFAOYSA-N -1 1 345.380 2.860 20 10 EFCDMM O=C(Nc1cnn(C2CCOCC2)c1)c1ccc(O)c([O-])c1Cl ZINC001193209883 1293198124 /nfs/dbraw/zinc/19/81/24/1293198124.db2.gz OXRAVQZIZMXRDN-UHFFFAOYSA-N -1 1 337.763 2.552 20 10 EFCDMM Cc1cccnc1O[C@@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193232988 1293207826 /nfs/dbraw/zinc/20/78/26/1293207826.db2.gz TUUNMONFDQQZKJ-LLVKDONJSA-N -1 1 348.786 2.748 20 10 EFCDMM Cc1cccn2cc(CNC(=O)c3ccc(O)c([O-])c3Cl)nc12 ZINC001193236757 1293209111 /nfs/dbraw/zinc/20/91/11/1293209111.db2.gz QBQKZHJXULWQNA-UHFFFAOYSA-N -1 1 331.759 2.637 20 10 EFCDMM C[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1cnc2ccccn21 ZINC001193237170 1293211038 /nfs/dbraw/zinc/21/10/38/1293211038.db2.gz ZHCFUYJZSREPHV-SECBINFHSA-N -1 1 331.759 2.890 20 10 EFCDMM O=C(N[C@H]1CCc2ccc(O)cc2C1)c1ccc(O)c([O-])c1Cl ZINC001193247335 1293213081 /nfs/dbraw/zinc/21/30/81/1293213081.db2.gz VFCBTMHIDCHDIG-NSHDSACASA-N -1 1 333.771 2.744 20 10 EFCDMM O=C(NC[C@H](O)c1cc2ccccc2o1)c1ccc(O)c([O-])c1Cl ZINC001193247424 1293213532 /nfs/dbraw/zinc/21/35/32/1293213532.db2.gz YMFULXUGBNEJFF-LBPRGKRZSA-N -1 1 347.754 2.961 20 10 EFCDMM O=C(N[C@@H]1CCc2ccc(O)cc2C1)c1ccc(O)c([O-])c1Cl ZINC001193247334 1293213614 /nfs/dbraw/zinc/21/36/14/1293213614.db2.gz VFCBTMHIDCHDIG-LLVKDONJSA-N -1 1 333.771 2.744 20 10 EFCDMM COCC1(NC(=O)c2ccc(O)c([O-])c2Cl)Cc2ccccc2C1 ZINC001193255317 1293216405 /nfs/dbraw/zinc/21/64/05/1293216405.db2.gz UNTXFEWLJIJMBF-UHFFFAOYSA-N -1 1 347.798 2.665 20 10 EFCDMM O=C(CCCNC(=O)c1ccc(O)c([O-])c1Cl)c1cccnc1 ZINC001193254428 1293216419 /nfs/dbraw/zinc/21/64/19/1293216419.db2.gz IRASGTPKWNENOO-UHFFFAOYSA-N -1 1 334.759 2.539 20 10 EFCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2O)c(C)c1C ZINC001194835106 1293726181 /nfs/dbraw/zinc/72/61/81/1293726181.db2.gz CRWJLZYVGSGXCY-UHFFFAOYSA-N -1 1 337.397 2.832 20 10 EFCDMM COC(=O)C1(NCc2cc(Cl)cc(C(C)=O)c2[O-])CCCC1 ZINC000133841254 1294015632 /nfs/dbraw/zinc/01/56/32/1294015632.db2.gz HVYHAATWMCGSOJ-UHFFFAOYSA-N -1 1 325.792 2.824 20 10 EFCDMM O=C1CCCN1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775686724 1294143009 /nfs/dbraw/zinc/14/30/09/1294143009.db2.gz MLGBQYACHZQUBN-CYBMUJFWSA-N -1 1 326.799 2.772 20 10 EFCDMM COc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1-n1cnnn1 ZINC000775757750 1294457893 /nfs/dbraw/zinc/45/78/93/1294457893.db2.gz KOLLYCTXERBPES-UHFFFAOYSA-N -1 1 349.753 2.781 20 10 EFCDMM CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276354308 1294570951 /nfs/dbraw/zinc/57/09/51/1294570951.db2.gz PYGGOQUSKLFUFC-XHSDSOJGSA-N -1 1 342.414 2.839 20 10 EFCDMM CCOC(=O)C(F)(F)[C@@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474339 1313136272 /nfs/dbraw/zinc/13/62/72/1313136272.db2.gz RJHHGLWHBIAVCC-CYBMUJFWSA-N -1 1 332.299 2.656 20 10 EFCDMM O=C(CSc1nncn1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC000005621844 1296887837 /nfs/dbraw/zinc/88/78/37/1296887837.db2.gz BGWXDYIDGZGTHF-UHFFFAOYSA-N -1 1 327.365 2.654 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001236664771 1313505861 /nfs/dbraw/zinc/50/58/61/1313505861.db2.gz WUVGFIMHPMNSBA-ZYHUDNBSSA-N -1 1 332.213 2.615 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(c2ncccn2)CC1 ZINC001236794830 1313530639 /nfs/dbraw/zinc/53/06/39/1313530639.db2.gz VGFYYNXOIJCRLV-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM COc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1Cl ZINC001236809910 1313533704 /nfs/dbraw/zinc/53/37/04/1313533704.db2.gz OYFLDYFGWGFQAB-CYBMUJFWSA-N -1 1 349.818 2.806 20 10 EFCDMM CNC(=O)N[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236803881 1313531934 /nfs/dbraw/zinc/53/19/34/1313531934.db2.gz QDGCYMOYLFMPAF-JTQLQIEISA-N -1 1 332.231 2.592 20 10 EFCDMM CCOC(=O)[C@H]1CN(Cc2ccc(OC)c(Cl)c2[O-])CCS1 ZINC001236806552 1313533111 /nfs/dbraw/zinc/53/31/11/1313533111.db2.gz BRXAQYZACAVZPJ-GFCCVEGCSA-N -1 1 345.848 2.535 20 10 EFCDMM CCOC(=O)C1(F)CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236814356 1313536065 /nfs/dbraw/zinc/53/60/65/1313536065.db2.gz WMDBMVHTHTWJTR-UHFFFAOYSA-N -1 1 345.798 2.921 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1Cc2ccnn2CC[C@@H]1CO ZINC001237087002 1313583909 /nfs/dbraw/zinc/58/39/09/1313583909.db2.gz RJPCKQUUDJYNKQ-LLVKDONJSA-N -1 1 342.226 2.662 20 10 EFCDMM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237081595 1313584318 /nfs/dbraw/zinc/58/43/18/1313584318.db2.gz MMCJNKWNONZXKZ-AWEZNQCLSA-N -1 1 346.210 2.796 20 10 EFCDMM CCOCc1ncn2c1CN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237126052 1313591228 /nfs/dbraw/zinc/59/12/28/1313591228.db2.gz ZVQBBCLDZOMQFZ-UHFFFAOYSA-N -1 1 339.798 2.934 20 10 EFCDMM COC[C@@H]1Cn2nccc2CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125938 1313591397 /nfs/dbraw/zinc/59/13/97/1313591397.db2.gz WALRLNXEHMIMOM-NSHDSACASA-N -1 1 339.798 2.660 20 10 EFCDMM [O-]c1c(I)cccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237776566 1313703720 /nfs/dbraw/zinc/70/37/20/1313703720.db2.gz KKKJLCLJXOEHAS-DCAQKATOSA-N -1 1 347.171 2.787 20 10 EFCDMM C[C@H]1CN(Cc2cccc(I)c2[O-])C[C@H](C)O1 ZINC001237781183 1313704864 /nfs/dbraw/zinc/70/48/64/1313704864.db2.gz TUUPZQGEDRREFD-UWVGGRQHSA-N -1 1 347.196 2.606 20 10 EFCDMM CC[C@H]1COCCN1Cc1cccc(I)c1[O-] ZINC001237782679 1313705488 /nfs/dbraw/zinc/70/54/88/1313705488.db2.gz GQXQGGARTKKPAN-NSHDSACASA-N -1 1 347.196 2.608 20 10 EFCDMM CC(C)OC1CN(Cc2cccc(I)c2[O-])C1 ZINC001237783826 1313705788 /nfs/dbraw/zinc/70/57/88/1313705788.db2.gz OQNZGOBJEFKQBK-UHFFFAOYSA-N -1 1 347.196 2.606 20 10 EFCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001237802750 1313709056 /nfs/dbraw/zinc/70/90/56/1313709056.db2.gz OOLXLTAIMQXDDU-GFCCVEGCSA-N -1 1 341.745 2.767 20 10 EFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(Cc2cccnc2)CC1 ZINC001237946905 1313735124 /nfs/dbraw/zinc/73/51/24/1313735124.db2.gz OLMXAEQAUHLZCF-UHFFFAOYSA-N -1 1 335.810 2.898 20 10 EFCDMM O=[N+]([O-])c1ccc([O-])c(CNc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000864012013 1302756551 /nfs/dbraw/zinc/75/65/51/1302756551.db2.gz MMKPCFDNELWLIT-UHFFFAOYSA-N -1 1 329.291 2.837 20 10 EFCDMM COc1ccc(N2CCC(NC(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000122573029 1304772156 /nfs/dbraw/zinc/77/21/56/1304772156.db2.gz OXGXPOOCDAHXMS-UHFFFAOYSA-N -1 1 344.386 2.939 20 10 EFCDMM O=S(=O)(Nc1cc(F)c([O-])cc1Cl)c1cnc2n1CCCC2 ZINC000901963091 1311247327 /nfs/dbraw/zinc/24/73/27/1311247327.db2.gz OZIAHFVAGUEBIV-UHFFFAOYSA-N -1 1 345.783 2.518 20 10 EFCDMM Cc1nc2ccc(F)cc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159277793 1311484346 /nfs/dbraw/zinc/48/43/46/1311484346.db2.gz ZZKUACAJAYYCAE-UHFFFAOYSA-N -1 1 327.315 2.783 20 10 EFCDMM Cc1cc(Cl)c([N+](=O)[O-])c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159276826 1311484384 /nfs/dbraw/zinc/48/43/84/1311484384.db2.gz MWAPWIPOJXYKQI-UHFFFAOYSA-N -1 1 337.719 2.658 20 10 EFCDMM O=C(CNc1ncnc2cc(Cl)ccc21)c1ccc([O-])c(O)c1 ZINC001159276300 1311484656 /nfs/dbraw/zinc/48/46/56/1311484656.db2.gz GVWRVESVYLTJIS-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM CCOC(=O)c1c(C)cc(NCC(=O)c2ccc([O-])c(O)c2)nc1C ZINC001159279003 1311484772 /nfs/dbraw/zinc/48/47/72/1311484772.db2.gz IJOMLUHWRIFMGU-UHFFFAOYSA-N -1 1 344.367 2.581 20 10 EFCDMM Cc1cc([N+](=O)[O-])c(NCC(=O)c2ccc([O-])c(O)c2)nc1Cl ZINC001159277254 1311484929 /nfs/dbraw/zinc/48/49/29/1311484929.db2.gz RZYOQQNNNUZOTB-UHFFFAOYSA-N -1 1 337.719 2.658 20 10 EFCDMM O=C(CNc1ccc(-c2ccsc2)nn1)c1ccc([O-])c(O)c1 ZINC001159280306 1311485191 /nfs/dbraw/zinc/48/51/91/1311485191.db2.gz KELCYLIAQGGZRN-UHFFFAOYSA-N -1 1 327.365 2.911 20 10 EFCDMM CC[C@H](COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)OC ZINC001227578371 1311824894 /nfs/dbraw/zinc/82/48/94/1311824894.db2.gz SUKFRVYAWCAAPP-LLVKDONJSA-N -1 1 326.348 2.971 20 10 EFCDMM COCCO[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000802651796 1311886792 /nfs/dbraw/zinc/88/67/92/1311886792.db2.gz BSMAHMNGPXMVRU-CYBMUJFWSA-N -1 1 344.795 2.581 20 10 EFCDMM C[C@@H]1COCC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228107993 1311900570 /nfs/dbraw/zinc/90/05/70/1311900570.db2.gz ACCIKFYCXDMTBA-BZNIZROVSA-N -1 1 344.363 2.838 20 10 EFCDMM CCOC[C@@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197396 1312060398 /nfs/dbraw/zinc/06/03/98/1312060398.db2.gz OKBBBHIKZWHDFA-SNVBAGLBSA-N -1 1 342.347 2.677 20 10 EFCDMM CCO[C@H](C)COc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229198232 1312060535 /nfs/dbraw/zinc/06/05/35/1312060535.db2.gz XUJIDOPIHUJAKI-SNVBAGLBSA-N -1 1 342.347 2.677 20 10 EFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1OC1CCCC1 ZINC001229785295 1312138717 /nfs/dbraw/zinc/13/87/17/1312138717.db2.gz GUMWRRVVAYPZKR-UHFFFAOYSA-N -1 1 346.335 2.767 20 10 EFCDMM CCN1CC(Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229829003 1312146157 /nfs/dbraw/zinc/14/61/57/1312146157.db2.gz LHYRMEUAYHPXOT-UHFFFAOYSA-N -1 1 337.375 2.559 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC001231565012 1312526170 /nfs/dbraw/zinc/52/61/70/1312526170.db2.gz NFCRAXLVKIJPQC-UHFFFAOYSA-N -1 1 349.390 2.834 20 10 EFCDMM COc1cccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231912582 1312587230 /nfs/dbraw/zinc/58/72/30/1312587230.db2.gz POGMUFUDUVIOPC-UHFFFAOYSA-N -1 1 333.819 2.771 20 10 EFCDMM COCc1cnc2n1CCN(Cc1cc(Cl)c([O-])cc1O)[C@H]2C ZINC001232260562 1312660123 /nfs/dbraw/zinc/66/01/23/1312660123.db2.gz YYUPFKRIGKPQNE-JTQLQIEISA-N -1 1 337.807 2.671 20 10 EFCDMM CN(c1c(F)ccc([O-])c1Cl)S(=O)(=O)Cc1ccc(N)cc1 ZINC001250234292 1315187553 /nfs/dbraw/zinc/18/75/53/1315187553.db2.gz OURFIKYOELXYLU-UHFFFAOYSA-N -1 1 344.795 2.733 20 10 EFCDMM Cc1cnn(C)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251394525 1315345376 /nfs/dbraw/zinc/34/53/76/1315345376.db2.gz OCDNYXNWESTPSR-UHFFFAOYSA-N -1 1 336.200 2.542 20 10 EFCDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2c(F)cccc2F)c(O)c1 ZINC001259071363 1316204948 /nfs/dbraw/zinc/20/49/48/1316204948.db2.gz RGBSORJLROMNIG-UHFFFAOYSA-N -1 1 327.352 2.766 20 10 EFCDMM Cc1c(O)ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C ZINC001259384250 1316235694 /nfs/dbraw/zinc/23/56/94/1316235694.db2.gz CZXBXKATQSZDSX-UHFFFAOYSA-N -1 1 334.353 2.657 20 10 EFCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc2c(c1)CCC2 ZINC001259860727 1316288166 /nfs/dbraw/zinc/28/81/66/1316288166.db2.gz JEPRCOBHVSRHIR-UHFFFAOYSA-N -1 1 325.336 2.960 20 10 EFCDMM O=S(=O)([N-]Cc1ccc(O)cc1O)c1cc(F)c(F)cc1Cl ZINC001260287495 1316329038 /nfs/dbraw/zinc/32/90/38/1316329038.db2.gz HAOBRFHHRQPILY-UHFFFAOYSA-N -1 1 349.742 2.508 20 10 EFCDMM Cc1cccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1O ZINC001260357142 1316334312 /nfs/dbraw/zinc/33/43/12/1316334312.db2.gz MVHWCKWJPYAMSK-UHFFFAOYSA-N -1 1 331.315 2.596 20 10 EFCDMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1F)c1cccc2nonc21 ZINC001260440788 1316338562 /nfs/dbraw/zinc/33/85/62/1316338562.db2.gz MGMBLEVDRNTTJB-UHFFFAOYSA-N -1 1 347.249 2.580 20 10 EFCDMM Cc1c(F)ccc([N-]S(=O)(=O)c2cccc3nonc32)c1F ZINC001260441286 1316338952 /nfs/dbraw/zinc/33/89/52/1316338952.db2.gz AAYVRLDGJLZTII-UHFFFAOYSA-N -1 1 325.296 2.610 20 10 EFCDMM O=S(=O)([N-]c1ccc(Cl)c(F)c1F)c1cccc2nonc21 ZINC001260441139 1316338794 /nfs/dbraw/zinc/33/87/94/1316338794.db2.gz QGDDLFTZIJMZSG-UHFFFAOYSA-N -1 1 345.714 2.955 20 10 EFCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(OC(C)C)cc2)n1 ZINC000747658045 1324583089 /nfs/dbraw/zinc/58/30/89/1324583089.db2.gz JEWOYDVSMJCOAN-UHFFFAOYSA-N -1 1 347.444 2.894 20 10 EFCDMM O=C([O-])C(F)(F)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000904032566 1324860929 /nfs/dbraw/zinc/86/09/29/1324860929.db2.gz QAUVHKMGCMVENT-UHFFFAOYSA-N -1 1 344.539 2.618 20 10 EFCDMM [O-]c1c(Br)cccc1CNC(=S)NCC1CCC1 ZINC001320782328 1329301542 /nfs/dbraw/zinc/30/15/42/1329301542.db2.gz DKLLTKZBPSAYAZ-UHFFFAOYSA-N -1 1 329.263 2.919 20 10 EFCDMM CC(C)(Oc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC001321311791 1329371485 /nfs/dbraw/zinc/37/14/85/1329371485.db2.gz OCZRHHJSFUSXAF-UHFFFAOYSA-N -1 1 330.336 2.681 20 10 EFCDMM Cc1cc(Br)c([O-])c(C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC000848638674 1334821377 /nfs/dbraw/zinc/82/13/77/1334821377.db2.gz BNQRYMBDPJHWKQ-UHFFFAOYSA-N -1 1 328.206 2.902 20 10 EFCDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(OC)ccc1O ZINC000825632134 1426505624 /nfs/dbraw/zinc/50/56/24/1426505624.db2.gz MDLLTGVCYITKFN-UHFFFAOYSA-N -1 1 341.371 2.592 20 10 EFCDMM Clc1ccc(C2=CCN(c3cnccc3-c3nnn[n-]3)CC2)cn1 ZINC000826351446 1426739526 /nfs/dbraw/zinc/73/95/26/1426739526.db2.gz MXWPVLZFLKTZBU-UHFFFAOYSA-N -1 1 339.790 2.604 20 10 EFCDMM S=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccccc1 ZINC000826512260 1428093697 /nfs/dbraw/zinc/09/36/97/1428093697.db2.gz UZWGUIRFSIXZFW-UHFFFAOYSA-N -1 1 345.819 2.834 20 10 EFCDMM CCCOC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736489596 1443798203 /nfs/dbraw/zinc/79/82/03/1443798203.db2.gz XGGYAWGPHAYVMD-UHFFFAOYSA-N -1 1 325.372 2.841 20 10 EFCDMM Cc1cc(N(C)C)ccc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826268730 1446118526 /nfs/dbraw/zinc/11/85/26/1446118526.db2.gz KZVAOKMBQNZSEX-UHFFFAOYSA-N -1 1 348.414 2.501 20 10 EFCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1ncccc1-c1nnn[n-]1 ZINC000821611234 1447179118 /nfs/dbraw/zinc/17/91/18/1447179118.db2.gz WXOMZVLYYIXGOZ-UHFFFAOYSA-N -1 1 349.442 2.888 20 10 EFCDMM Oc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1Br ZINC000826511527 1449966339 /nfs/dbraw/zinc/96/63/39/1449966339.db2.gz UBIJIYWKTKILCC-UHFFFAOYSA-N -1 1 346.188 2.947 20 10 EFCDMM Oc1ccccc1CN(Cc1ccco1)c1ncccc1-c1nnn[n-]1 ZINC000826511248 1450450645 /nfs/dbraw/zinc/45/06/45/1450450645.db2.gz IBCJPJGDBTZACQ-UHFFFAOYSA-N -1 1 348.366 2.767 20 10 EFCDMM [O-]c1c(Br)cc(Cl)cc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000894532742 722773946 /nfs/dbraw/zinc/77/39/46/722773946.db2.gz FLSCKVAPNNAOFX-RNCFNFMXSA-N -1 1 332.625 2.622 20 10 EFCDMM Cc1cc(Br)cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1O ZINC000840998521 725527666 /nfs/dbraw/zinc/52/76/66/725527666.db2.gz HTCJANXVPGIEJJ-CQSZACIVSA-N -1 1 328.206 2.760 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)C(C)(C)CC2)c1[O-] ZINC000321726166 726090479 /nfs/dbraw/zinc/09/04/79/726090479.db2.gz RXLMICMISBKBMZ-QFIPXVFZSA-N -1 1 343.876 2.981 20 10 EFCDMM CCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC000916611601 727701449 /nfs/dbraw/zinc/70/14/49/727701449.db2.gz SITAMFMSVYUDGX-UHFFFAOYSA-N -1 1 346.335 2.545 20 10 EFCDMM CCCc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000920979925 729250718 /nfs/dbraw/zinc/25/07/18/729250718.db2.gz ZPFNILPWRYBZIR-XNTDXEJSSA-N -1 1 345.468 2.834 20 10 EFCDMM C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CC[C@H]1C(=O)[O-] ZINC000691422284 954683544 /nfs/dbraw/zinc/68/35/44/954683544.db2.gz NFFNAKLWXNPTPB-BXKDBHETSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CC[C@H]1C(=O)[O-] ZINC000691422284 954683550 /nfs/dbraw/zinc/68/35/50/954683550.db2.gz NFFNAKLWXNPTPB-BXKDBHETSA-N -1 1 328.206 2.697 20 10 EFCDMM Cc1cc(CNCc2cc(C(=O)[O-])nn2C)c(C)n1-c1ccccc1 ZINC001594304303 957949054 /nfs/dbraw/zinc/94/90/54/957949054.db2.gz XFYVIVOIFBZWGK-UHFFFAOYSA-N -1 1 338.411 2.816 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)c1[O-] ZINC001588527983 958876642 /nfs/dbraw/zinc/87/66/42/958876642.db2.gz JGJKCTIHQRVBSN-OAHLLOKOSA-N -1 1 335.306 2.789 20 10 EFCDMM O=C([O-])C[C@H]1CSCCN1Cc1cc(Br)ccc1O ZINC000236423736 960577647 /nfs/dbraw/zinc/57/76/47/960577647.db2.gz ZULRAGFIUIEBOF-NSHDSACASA-N -1 1 346.246 2.547 20 10 EFCDMM C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)CC[C@H]1C(=O)[O-] ZINC000706647726 969017258 /nfs/dbraw/zinc/01/72/58/969017258.db2.gz RQSOUSAABYUOHS-NXEZZACHSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)CC[C@H]1C(=O)[O-] ZINC000706647726 969017266 /nfs/dbraw/zinc/01/72/66/969017266.db2.gz RQSOUSAABYUOHS-NXEZZACHSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[N@H+](Cc2c([O-])cccc2Br)CC[C@H]1C(=O)[O-] ZINC000706647729 969017713 /nfs/dbraw/zinc/01/77/13/969017713.db2.gz RQSOUSAABYUOHS-VHSXEESVSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)CC[C@H]1C(=O)[O-] ZINC000706647729 969017725 /nfs/dbraw/zinc/01/77/25/969017725.db2.gz RQSOUSAABYUOHS-VHSXEESVSA-N -1 1 328.206 2.697 20 10 EFCDMM O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691421184 976356481 /nfs/dbraw/zinc/35/64/81/976356481.db2.gz GCPUZMKAXHDSGC-LBPRGKRZSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691421184 976356491 /nfs/dbraw/zinc/35/64/91/976356491.db2.gz GCPUZMKAXHDSGC-LBPRGKRZSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1c([O-])cccc1Br)C2 ZINC000701533849 977022672 /nfs/dbraw/zinc/02/26/72/977022672.db2.gz AKGSOTQELIRHLC-BONVTDFDSA-N -1 1 340.217 2.841 20 10 EFCDMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC000701533849 977022678 /nfs/dbraw/zinc/02/26/78/977022678.db2.gz AKGSOTQELIRHLC-BONVTDFDSA-N -1 1 340.217 2.841 20 10 EFCDMM O=C([O-])C[N@H+](Cc1c([O-])cccc1Br)C1CCCC1 ZINC000706637641 977356700 /nfs/dbraw/zinc/35/67/00/977356700.db2.gz YJEKLKHKYCOHQD-UHFFFAOYSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1c([O-])cccc1Br)C1CCCC1 ZINC000706637641 977356704 /nfs/dbraw/zinc/35/67/04/977356704.db2.gz YJEKLKHKYCOHQD-UHFFFAOYSA-N -1 1 328.206 2.984 20 10 EFCDMM C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)C[C@H]1CC(=O)[O-] ZINC000722604762 978147249 /nfs/dbraw/zinc/14/72/49/978147249.db2.gz UPODSLPSBFTYSM-NXEZZACHSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)C[C@H]1CC(=O)[O-] ZINC000722604762 978147254 /nfs/dbraw/zinc/14/72/54/978147254.db2.gz UPODSLPSBFTYSM-NXEZZACHSA-N -1 1 328.206 2.697 20 10 EFCDMM CCCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1O ZINC000737821401 978447059 /nfs/dbraw/zinc/44/70/59/978447059.db2.gz QBCCNTQWBHAOAW-UHFFFAOYSA-N -1 1 342.395 2.941 20 10 EFCDMM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808113734 978852010 /nfs/dbraw/zinc/85/20/10/978852010.db2.gz HWCKGYFWDLXVEL-UHFFFAOYSA-N -1 1 345.735 2.684 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1[O-] ZINC001589267707 985948791 /nfs/dbraw/zinc/94/87/91/985948791.db2.gz HVCDUWMLXIOTLL-YMTOWFKASA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1[O-] ZINC001589267707 985948798 /nfs/dbraw/zinc/94/87/98/985948798.db2.gz HVCDUWMLXIOTLL-YMTOWFKASA-N -1 1 325.792 2.933 20 10 EFCDMM CN(Cc1c(O)ccc(Cl)c1F)[C@H](COC1CCC1)C(=O)[O-] ZINC001598505995 992504281 /nfs/dbraw/zinc/50/42/81/992504281.db2.gz YBWWSRSDKAEJOV-GFCCVEGCSA-N -1 1 331.771 2.639 20 10 EFCDMM C[C@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(C(=O)[O-])ccc1O ZINC001593291782 994670626 /nfs/dbraw/zinc/67/06/26/994670626.db2.gz CNPOONPWIFFYJY-QMMMGPOBSA-N -1 1 343.305 2.694 20 10 EFCDMM COc1cccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1O ZINC001599672569 994840370 /nfs/dbraw/zinc/84/03/70/994840370.db2.gz JOHNCAOVFZDWOG-UHFFFAOYSA-N -1 1 331.343 2.796 20 10 EFCDMM C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@](C)(O)C(=O)[O-] ZINC001593710309 996208400 /nfs/dbraw/zinc/20/84/00/996208400.db2.gz KXDMPONSJCLSKM-KUHUBIRLSA-N -1 1 329.396 2.791 20 10 EFCDMM CC1(C)CO[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001593953663 997035201 /nfs/dbraw/zinc/03/52/01/997035201.db2.gz BRKUQEOSPWWNCZ-ZDUSSCGKSA-N -1 1 327.808 2.747 20 10 EFCDMM CC1(C)CO[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001593953663 997035216 /nfs/dbraw/zinc/03/52/16/997035216.db2.gz BRKUQEOSPWWNCZ-ZDUSSCGKSA-N -1 1 327.808 2.747 20 10 EFCDMM COC[C@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C(C)C ZINC001599163851 998505201 /nfs/dbraw/zinc/50/52/01/998505201.db2.gz WUDNOADZPXCJIN-ZDUSSCGKSA-N -1 1 329.824 2.851 20 10 EFCDMM COC[C@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C(C)C ZINC001599163851 998505209 /nfs/dbraw/zinc/50/52/09/998505209.db2.gz WUDNOADZPXCJIN-ZDUSSCGKSA-N -1 1 329.824 2.851 20 10 EFCDMM Cc1ccc(NCCCSc2nccs2)c(-c2nnn[n-]2)n1 ZINC001592186171 1094022183 /nfs/dbraw/zinc/02/21/83/1094022183.db2.gz RVSXNAFALPPHMU-UHFFFAOYSA-N -1 1 333.446 2.621 20 10 EFCDMM Cc1ccc(NCCCSc2nccs2)c(-c2nn[n-]n2)n1 ZINC001592186171 1094022187 /nfs/dbraw/zinc/02/21/87/1094022187.db2.gz RVSXNAFALPPHMU-UHFFFAOYSA-N -1 1 333.446 2.621 20 10 EFCDMM Cc1nsc(NCc2ccc3c(c2)CCCN3C)c1-c1nn[n-]n1 ZINC001592493191 1094112461 /nfs/dbraw/zinc/11/24/61/1094112461.db2.gz QKQJOPRSJJNZRH-UHFFFAOYSA-N -1 1 341.444 2.626 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001601757372 1095893160 /nfs/dbraw/zinc/89/31/60/1095893160.db2.gz SKMAFJRRXNGNJX-QWRKXWFKSA-N -1 1 340.763 2.639 20 10 EFCDMM O=C([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001602113021 1096071166 /nfs/dbraw/zinc/07/11/66/1096071166.db2.gz YYLJBSWNWVBRJH-SKDRFNHKSA-N -1 1 328.206 2.888 20 10 EFCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@H](CCF)C2)c1O ZINC001602304675 1096167647 /nfs/dbraw/zinc/16/76/47/1096167647.db2.gz YKWPIIMPGJWSGM-CYBMUJFWSA-N -1 1 333.359 2.804 20 10 EFCDMM CC[C@H](Nc1cnn(CC(F)F)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604063786 1096716992 /nfs/dbraw/zinc/71/69/92/1096716992.db2.gz MSLCNSBYEZSDKN-LBPRGKRZSA-N -1 1 349.345 2.597 20 10 EFCDMM C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001604346931 1096821170 /nfs/dbraw/zinc/82/11/70/1096821170.db2.gz UYABQMREVLNKHR-CYBMUJFWSA-N -1 1 330.384 2.665 20 10 EFCDMM CO[C@@H]1CCC[C@@H]([C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])C1 ZINC001606739397 1097449189 /nfs/dbraw/zinc/44/91/89/1097449189.db2.gz JGHLPLONUVWWAG-YVLXSGLVSA-N -1 1 327.808 2.794 20 10 EFCDMM COc1cccc(C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])c1 ZINC001607321481 1097600864 /nfs/dbraw/zinc/60/08/64/1097600864.db2.gz IDUKRJBTMUIEGZ-HNNXBMFYSA-N -1 1 335.787 2.840 20 10 EFCDMM O=C([O-])C1=NO[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC001608589926 1097962278 /nfs/dbraw/zinc/96/22/78/1097962278.db2.gz UVKKYTKPDHHNMQ-CQSZACIVSA-N -1 1 345.182 2.504 20 10 EFCDMM O=C([O-])C1=NO[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC001608589926 1097962286 /nfs/dbraw/zinc/96/22/86/1097962286.db2.gz UVKKYTKPDHHNMQ-CQSZACIVSA-N -1 1 345.182 2.504 20 10 EFCDMM O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC001608702543 1097994212 /nfs/dbraw/zinc/99/42/12/1097994212.db2.gz PYUPYXPFOLCDFS-CYBMUJFWSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[C@@H]1COCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC001608702543 1097994220 /nfs/dbraw/zinc/99/42/20/1097994220.db2.gz PYUPYXPFOLCDFS-CYBMUJFWSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[C@@H]1COCCN1Cc1cc2oc3ccccc3c2cc1O ZINC001608702543 1097994225 /nfs/dbraw/zinc/99/42/25/1097994225.db2.gz PYUPYXPFOLCDFS-CYBMUJFWSA-N -1 1 341.363 2.967 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001608746805 1098008632 /nfs/dbraw/zinc/00/86/32/1098008632.db2.gz MVWNGUMGPIFQJB-WPGHFRTFSA-N -1 1 339.819 2.890 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001608746805 1098008637 /nfs/dbraw/zinc/00/86/37/1098008637.db2.gz MVWNGUMGPIFQJB-WPGHFRTFSA-N -1 1 339.819 2.890 20 10 EFCDMM COc1cccc(O)c1C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001610356927 1098637118 /nfs/dbraw/zinc/63/71/18/1098637118.db2.gz PYMCKBJWQJQAMQ-IBGZPJMESA-N -1 1 327.380 2.629 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCN3CC(F)(F)C[C@H]3C2)c1[O-] ZINC000828777632 1102298225 /nfs/dbraw/zinc/29/82/25/1102298225.db2.gz USZJFTZNPYCNQG-ZDUSSCGKSA-N -1 1 344.789 2.773 20 10 EFCDMM Cc1sc(Cl)nc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784994176 1102688924 /nfs/dbraw/zinc/68/89/24/1102688924.db2.gz URSOBHPIZHWTRI-UHFFFAOYSA-N -1 1 327.745 2.556 20 10 EFCDMM COC(=O)CCCc1nnc(NCc2cc(F)cc(F)c2[O-])s1 ZINC000905411260 1103153628 /nfs/dbraw/zinc/15/36/28/1103153628.db2.gz IAUDSHJQZVZQMR-UHFFFAOYSA-N -1 1 343.355 2.630 20 10 EFCDMM CO[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC001120637010 1106981348 /nfs/dbraw/zinc/98/13/48/1106981348.db2.gz XNZSXBKJIKFIAL-ZYHUDNBSSA-N -1 1 328.206 2.586 20 10 EFCDMM CCn1nc(C)c(S(=O)(=O)Nc2cc(F)c([O-])cc2Cl)c1C ZINC000901963414 1110035166 /nfs/dbraw/zinc/03/51/66/1110035166.db2.gz SBUAFHRJTZHETI-UHFFFAOYSA-N -1 1 347.799 2.819 20 10 EFCDMM Cc1cc(C)c(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC000784531984 1111441731 /nfs/dbraw/zinc/44/17/31/1111441731.db2.gz UWFSNQBWAUAIEA-UHFFFAOYSA-N -1 1 328.364 2.992 20 10 EFCDMM O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc([O-])c(O)c1 ZINC000022983269 212340634 /nfs/dbraw/zinc/34/06/34/212340634.db2.gz JCGVXXMXFRFDFL-UHFFFAOYSA-N -1 1 347.676 2.815 20 10 EFCDMM O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC000276505795 240768294 /nfs/dbraw/zinc/76/82/94/240768294.db2.gz CYVYXCKMIBMGSF-LLVKDONJSA-N -1 1 348.349 2.632 20 10 EFCDMM O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1c(F)ccc(O)c1[O-] ZINC000295958382 241069173 /nfs/dbraw/zinc/06/91/73/241069173.db2.gz HRAOTGFZSGCXJD-NSHDSACASA-N -1 1 348.349 2.632 20 10 EFCDMM O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000296040069 241071416 /nfs/dbraw/zinc/07/14/16/241071416.db2.gz PUERNNPTCGTAKH-SJCJKPOMSA-N -1 1 331.343 2.745 20 10 EFCDMM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000296342799 241082528 /nfs/dbraw/zinc/08/25/28/241082528.db2.gz QKJDJQYDHMJFSJ-IUODEOHRSA-N -1 1 331.343 2.887 20 10 EFCDMM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000297342259 241121241 /nfs/dbraw/zinc/12/12/41/241121241.db2.gz AYFXHQRJGGRGAR-DYZYQPBXSA-N -1 1 349.358 2.752 20 10 EFCDMM Cc1cnccc1OC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295588191 241057962 /nfs/dbraw/zinc/05/79/62/241057962.db2.gz MIFWCQMRJPTLDD-UHFFFAOYSA-N -1 1 346.358 2.624 20 10 EFCDMM Cn1cnnc1-c1ccnc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000364929625 242311733 /nfs/dbraw/zinc/31/17/33/242311733.db2.gz JODHVYMJCACDGV-UHFFFAOYSA-N -1 1 333.754 2.987 20 10 EFCDMM Oc1c(Cl)cc(Cl)cc1CN=c1[n-]ncn1-c1cccnc1 ZINC000367490425 242382767 /nfs/dbraw/zinc/38/27/67/242382767.db2.gz OKOWXNMCZNBDGE-UHFFFAOYSA-N -1 1 336.182 2.709 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000367571986 242384289 /nfs/dbraw/zinc/38/42/89/242384289.db2.gz CBIHRKCVIVIUAX-CVEARBPZSA-N -1 1 339.819 2.628 20 10 EFCDMM CCN(CC)C(=O)CN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000122711369 222143769 /nfs/dbraw/zinc/14/37/69/222143769.db2.gz KUIQSHVEXOTSJA-UHFFFAOYSA-N -1 1 326.824 2.548 20 10 EFCDMM COC1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277591801 277187051 /nfs/dbraw/zinc/18/70/51/277187051.db2.gz UJAPYIQFTLKHBL-UHFFFAOYSA-N -1 1 343.221 2.523 20 10 EFCDMM CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177169493 280002549 /nfs/dbraw/zinc/00/25/49/280002549.db2.gz VETKDBDDJDOTLY-JTQLQIEISA-N -1 1 347.864 2.503 20 10 EFCDMM C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000281438705 473721411 /nfs/dbraw/zinc/72/14/11/473721411.db2.gz BSZZYYRZBFKWGV-UWVGGRQHSA-N -1 1 340.217 2.776 20 10 EFCDMM CN(C)c1ccc(CN(C(=O)C(=O)c2ccc([O-])cc2)C2CC2)cc1 ZINC000287803505 473765171 /nfs/dbraw/zinc/76/51/71/473765171.db2.gz ZWWNBUZTZZSCJX-UHFFFAOYSA-N -1 1 338.407 2.832 20 10 EFCDMM COc1c([O-])c(CN2CCCC[C@@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000289097627 474149216 /nfs/dbraw/zinc/14/92/16/474149216.db2.gz BWZDBOWKULYISC-CYBMUJFWSA-N -1 1 332.360 2.759 20 10 EFCDMM CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](O)C(F)(F)F ZINC000189869876 474497263 /nfs/dbraw/zinc/49/72/63/474497263.db2.gz DMQJLPNFCUBJIZ-JTQLQIEISA-N -1 1 342.701 2.699 20 10 EFCDMM COc1c([O-])c(CN2CCCC[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000289958427 474501914 /nfs/dbraw/zinc/50/19/14/474501914.db2.gz YFYZBFBJBVDSSX-ZDUSSCGKSA-N -1 1 348.359 2.728 20 10 EFCDMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2c(F)ccc(O)c2[O-])s1 ZINC000276522868 474565404 /nfs/dbraw/zinc/56/54/04/474565404.db2.gz CYBYDLKASWAPET-UHFFFAOYSA-N -1 1 349.387 2.835 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000276554551 474566764 /nfs/dbraw/zinc/56/67/64/474566764.db2.gz IDXDQBLAFPZYEK-CQSZACIVSA-N -1 1 345.370 2.916 20 10 EFCDMM O=C(NCc1ccc(N2CCCCC2)nc1)c1c(F)ccc(O)c1[O-] ZINC000276549587 474566863 /nfs/dbraw/zinc/56/68/63/474566863.db2.gz HLRTUKMDFKAWCX-UHFFFAOYSA-N -1 1 345.374 2.552 20 10 EFCDMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000276642369 474567722 /nfs/dbraw/zinc/56/77/22/474567722.db2.gz VBQRGXQBFKXZNR-FZMZJTMJSA-N -1 1 325.380 2.951 20 10 EFCDMM O=C(c1ccccc1)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000276757913 474570309 /nfs/dbraw/zinc/57/03/09/474570309.db2.gz WSQNCFUGGJVTSG-UHFFFAOYSA-N -1 1 343.354 2.972 20 10 EFCDMM O=C1N[C@@H](c2cc(Cl)c3ccccc3c2[O-])N2CCSC[C@@H]12 ZINC000271581438 474582408 /nfs/dbraw/zinc/58/24/08/474582408.db2.gz CFNUNSXVFHBZDD-DZGCQCFKSA-N -1 1 334.828 2.745 20 10 EFCDMM CC(C)n1nccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000277562823 474589600 /nfs/dbraw/zinc/58/96/00/474589600.db2.gz POALOVULXFUTRG-UHFFFAOYSA-N -1 1 338.205 2.862 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])C1CCSCC1 ZINC000277588788 474590102 /nfs/dbraw/zinc/59/01/02/474590102.db2.gz SDBVYZULCHHWAD-UHFFFAOYSA-N -1 1 330.247 2.914 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])C1SCCS1 ZINC000277633794 474591233 /nfs/dbraw/zinc/59/12/33/474591233.db2.gz XJCOCBRPIIVELN-UHFFFAOYSA-N -1 1 334.260 2.577 20 10 EFCDMM CC[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000277658133 474592645 /nfs/dbraw/zinc/59/26/45/474592645.db2.gz ZOZDIVGKUYAZOA-ZYHUDNBSSA-N -1 1 328.206 2.729 20 10 EFCDMM Cc1cc(C)nc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000272968855 474653479 /nfs/dbraw/zinc/65/34/79/474653479.db2.gz RIEPWFTXIQMABR-UHFFFAOYSA-N -1 1 332.835 2.775 20 10 EFCDMM CO[C@@](C)(C(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000293330249 474930372 /nfs/dbraw/zinc/93/03/72/474930372.db2.gz OGMREPYWNYCQHZ-CQSZACIVSA-N -1 1 328.206 2.586 20 10 EFCDMM CC[C@@H](C)Oc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccn1 ZINC000295111075 475104444 /nfs/dbraw/zinc/10/44/44/475104444.db2.gz VKBUYTQUSMUCGD-SNVBAGLBSA-N -1 1 334.347 2.739 20 10 EFCDMM COc1c(C)cnc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])c1C ZINC000295248419 475116603 /nfs/dbraw/zinc/11/66/03/475116603.db2.gz MLLDJOAHAFBKFC-UHFFFAOYSA-N -1 1 334.347 2.530 20 10 EFCDMM CCn1cnnc1CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756419432 575735223 /nfs/dbraw/zinc/73/52/23/575735223.db2.gz FLJAHDROAZHNCX-MRVPVSSYSA-N -1 1 343.200 2.756 20 10 EFCDMM C[C@@H](N[C@@H](C)c1nncn1C)c1cc(Br)cc(F)c1[O-] ZINC000756535708 575756482 /nfs/dbraw/zinc/75/64/82/575756482.db2.gz PWMXTLZYAUBSNV-SFYZADRCSA-N -1 1 343.200 2.834 20 10 EFCDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758169653 575861693 /nfs/dbraw/zinc/86/16/93/575861693.db2.gz WUAOJUPHTIZGID-UHFFFAOYSA-N -1 1 327.381 2.726 20 10 EFCDMM Cc1nc2ncnn2c(NCc2cccc(Br)c2[O-])c1C ZINC000764933541 576525867 /nfs/dbraw/zinc/52/58/67/576525867.db2.gz FEJJYENUPQVCDM-UHFFFAOYSA-N -1 1 348.204 2.821 20 10 EFCDMM Nc1nc(Cl)cc(NCc2cccc(Br)c2[O-])n1 ZINC000764934818 576526260 /nfs/dbraw/zinc/52/62/60/576526260.db2.gz MYAFVOCSRNPLBU-UHFFFAOYSA-N -1 1 329.585 2.792 20 10 EFCDMM [O-]c1c(Br)cccc1CNc1cncc(-n2cccn2)n1 ZINC000764935395 576526317 /nfs/dbraw/zinc/52/63/17/576526317.db2.gz SWGYERGAEWWVFS-UHFFFAOYSA-N -1 1 346.188 2.743 20 10 EFCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000765218286 577019908 /nfs/dbraw/zinc/01/99/08/577019908.db2.gz QDCNRDJRGFVCMB-UHFFFAOYSA-N -1 1 339.193 2.518 20 10 EFCDMM O=C(NCc1ccncc1)NCc1cccc(Br)c1[O-] ZINC000765421022 577040541 /nfs/dbraw/zinc/04/05/41/577040541.db2.gz QNDBGEAWCSZCPD-UHFFFAOYSA-N -1 1 336.189 2.549 20 10 EFCDMM Cc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765733321 577071575 /nfs/dbraw/zinc/07/15/75/577071575.db2.gz XBQMEOVESCKWNP-UHFFFAOYSA-N -1 1 335.201 2.717 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)ccc1O ZINC000765766884 577073963 /nfs/dbraw/zinc/07/39/63/577073963.db2.gz DIIUTBUTBVFZPH-UHFFFAOYSA-N -1 1 340.148 2.929 20 10 EFCDMM O=C(CCc1ccncc1)NCc1cccc(Br)c1[O-] ZINC000765764085 577074022 /nfs/dbraw/zinc/07/40/22/577074022.db2.gz HLXYMGPWQSZHKA-UHFFFAOYSA-N -1 1 335.201 2.799 20 10 EFCDMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000767319940 577204024 /nfs/dbraw/zinc/20/40/24/577204024.db2.gz FFQHLUJRCSKXHO-CYBMUJFWSA-N -1 1 344.386 2.859 20 10 EFCDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(C)c1 ZINC000769681554 577378402 /nfs/dbraw/zinc/37/84/02/577378402.db2.gz QAGYBOKQYLXBEV-UHFFFAOYSA-N -1 1 348.424 2.739 20 10 EFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000821516878 598151752 /nfs/dbraw/zinc/15/17/52/598151752.db2.gz UWUTWDZMWFLYLV-SNVBAGLBSA-N -1 1 328.206 2.841 20 10 EFCDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000738521038 600313405 /nfs/dbraw/zinc/31/34/05/600313405.db2.gz XSBNWFKJSMHYCJ-ZDUSSCGKSA-N -1 1 342.395 2.858 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1[O-] ZINC000825946765 601194933 /nfs/dbraw/zinc/19/49/33/601194933.db2.gz PAXZFWIMLHGAIE-SECBINFHSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1[O-] ZINC000825946766 601194946 /nfs/dbraw/zinc/19/49/46/601194946.db2.gz PAXZFWIMLHGAIE-VIFPVBQESA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(F)cc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1O ZINC000825946516 601545684 /nfs/dbraw/zinc/54/56/84/601545684.db2.gz BZHFRRCQWKGXQC-QGZVFWFLSA-N -1 1 343.354 2.918 20 10 EFCDMM C[C@H](C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1)C(=O)[O-] ZINC000833516127 605750469 /nfs/dbraw/zinc/75/04/69/605750469.db2.gz FCHAJKLVWAZWFZ-MRVPVSSYSA-N -1 1 328.752 2.639 20 10 EFCDMM CCn1cc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])nn1 ZINC000850522552 1250519813 /nfs/dbraw/zinc/51/98/13/1250519813.db2.gz UQKSNSQMVHYPGW-QMMMGPOBSA-N -1 1 343.200 2.756 20 10 EFCDMM CCn1cnnc1CNCc1cc(Cl)cc(Br)c1[O-] ZINC000708075963 1259593289 /nfs/dbraw/zinc/59/32/89/1259593289.db2.gz KVHAFKLRNFKWDV-UHFFFAOYSA-N -1 1 345.628 2.709 20 10 EFCDMM CCOC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC001118224929 1262058958 /nfs/dbraw/zinc/05/89/58/1262058958.db2.gz TZJPCXJLEBWGNW-AWEZNQCLSA-N -1 1 325.792 2.680 20 10 EFCDMM CC(C)Oc1ccc(CCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825441355 1278548451 /nfs/dbraw/zinc/54/84/51/1278548451.db2.gz MUDQJRKHOMNMAG-UHFFFAOYSA-N -1 1 333.359 2.997 20 10 EFCDMM O=C(NCc1ccccc1N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000825517657 1278580819 /nfs/dbraw/zinc/58/08/19/1278580819.db2.gz XWRVLRADQYZTQX-UHFFFAOYSA-N -1 1 330.359 2.767 20 10 EFCDMM COc1ccc(CCCN(C)C(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825516897 1278581159 /nfs/dbraw/zinc/58/11/59/1278581159.db2.gz FYRJKAAIPGMJQP-UHFFFAOYSA-N -1 1 333.359 2.950 20 10 EFCDMM O=C(CNc1[nH]c(=O)c(Cl)cc1Cl)c1ccc([O-])c(O)c1 ZINC001170314068 1279008999 /nfs/dbraw/zinc/00/89/99/1279008999.db2.gz LTBPRMASRDDEIE-UHFFFAOYSA-N -1 1 329.139 2.800 20 10 EFCDMM O=C(CNc1ncccc1C1CCOCC1)c1ccc([O-])c(O)c1 ZINC001170315598 1279009057 /nfs/dbraw/zinc/00/90/57/1279009057.db2.gz BEGUEOOCBPZPHJ-UHFFFAOYSA-N -1 1 328.368 2.682 20 10 EFCDMM CC(C)(C)C(=O)Nc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC001170314979 1279009316 /nfs/dbraw/zinc/00/93/16/1279009316.db2.gz NSMDLVSHZQKFMK-UHFFFAOYSA-N -1 1 343.383 2.772 20 10 EFCDMM O=C(CNc1ccc(F)c(C2OCCO2)c1)c1ccc([O-])c(O)c1 ZINC001170315366 1279009423 /nfs/dbraw/zinc/00/94/23/1279009423.db2.gz WISUSEHMUYERTF-UHFFFAOYSA-N -1 1 333.315 2.577 20 10 EFCDMM CN(C)C(=O)Sc1ccc(NCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC001170316400 1279010072 /nfs/dbraw/zinc/01/00/72/1279010072.db2.gz POVBONVNKZUWPU-UHFFFAOYSA-N -1 1 347.396 2.561 20 10 EFCDMM O=C(CNc1cc(Cl)nc2cccnc21)c1ccc([O-])c(O)c1 ZINC001170315601 1279010629 /nfs/dbraw/zinc/01/06/29/1279010629.db2.gz BJENZCYQVMBCAM-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1nc(Cl)cc(-n2cccc2)n1)c1ccc([O-])c(O)c1 ZINC001170317029 1279011387 /nfs/dbraw/zinc/01/13/87/1279011387.db2.gz WDTKASVLMDLDST-UHFFFAOYSA-N -1 1 344.758 2.627 20 10 EFCDMM O=C(CNc1ccc2c3c(ccnc13)CCO2)c1ccc([O-])c(O)c1 ZINC001170323007 1279014648 /nfs/dbraw/zinc/01/46/48/1279014648.db2.gz SQWAOXWLXSCCRO-UHFFFAOYSA-N -1 1 336.347 2.876 20 10 EFCDMM CCOC(=O)c1cccc(NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001170322291 1279015153 /nfs/dbraw/zinc/01/51/53/1279015153.db2.gz JGONPGIOCFQOBL-UHFFFAOYSA-N -1 1 329.352 2.878 20 10 EFCDMM C[C@@H](N[C@@H](C)c1ncnn1C)c1cc(Br)c(F)cc1[O-] ZINC000788986064 1276428602 /nfs/dbraw/zinc/42/86/02/1276428602.db2.gz ZDBTYOBNRMACIX-SFYZADRCSA-N -1 1 343.200 2.834 20 10 EFCDMM C[C@@H](N[C@@H](C)c1ncnn1C)c1cc(Br)cc(F)c1[O-] ZINC000788980981 1276450702 /nfs/dbraw/zinc/45/07/02/1276450702.db2.gz CIGADSZLOASKCJ-SFYZADRCSA-N -1 1 343.200 2.834 20 10 EFCDMM COc1ccc(N2CC[C@H](CNC(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000819586824 1276831424 /nfs/dbraw/zinc/83/14/24/1276831424.db2.gz UNJYUBRBWWLGOE-CYBMUJFWSA-N -1 1 344.386 2.796 20 10 EFCDMM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789945995 1277112628 /nfs/dbraw/zinc/11/26/28/1277112628.db2.gz BANVXWZVHWXQGB-UHFFFAOYSA-N -1 1 333.315 2.628 20 10 EFCDMM CC(C)C(=O)Nc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789953120 1277113152 /nfs/dbraw/zinc/11/31/52/1277113152.db2.gz NFNRYPVGOOCYAL-UHFFFAOYSA-N -1 1 346.358 2.761 20 10 EFCDMM CN(Cc1ccc(Br)o1)C(=O)c1c([O-])c(O)ccc1F ZINC000789956277 1277118847 /nfs/dbraw/zinc/11/88/47/1277118847.db2.gz DEQMYRJQASVMEX-UHFFFAOYSA-N -1 1 344.136 2.865 20 10 EFCDMM O=C(NCc1cc(-c2ccccc2)no1)c1c(F)ccc(O)c1[O-] ZINC000789957536 1277119198 /nfs/dbraw/zinc/11/91/98/1277119198.db2.gz SUHSKUWLJDMRRP-UHFFFAOYSA-N -1 1 328.299 2.822 20 10 EFCDMM COc1ccc(CC[C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789963988 1277125164 /nfs/dbraw/zinc/12/51/64/1277125164.db2.gz JQLNFAFHYZLPST-NSHDSACASA-N -1 1 333.359 2.997 20 10 EFCDMM O=C(NCc1cc(-c2ccccc2)on1)c1c(F)ccc(O)c1[O-] ZINC000789967513 1277127895 /nfs/dbraw/zinc/12/78/95/1277127895.db2.gz QWKWEAAQPLYWTI-UHFFFAOYSA-N -1 1 328.299 2.822 20 10 EFCDMM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1c([O-])c(O)ccc1F ZINC000789978145 1277140683 /nfs/dbraw/zinc/14/06/83/1277140683.db2.gz IACCOXDGFRUEFJ-GFCCVEGCSA-N -1 1 348.349 2.775 20 10 EFCDMM CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(CC)CC ZINC000789992368 1277152767 /nfs/dbraw/zinc/15/27/67/1277152767.db2.gz KPJPIKRVPILRQH-CHWSQXEVSA-N -1 1 325.380 2.951 20 10 EFCDMM CCC1(CC)[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@H](C)[C@H]1OC ZINC000789994327 1277153799 /nfs/dbraw/zinc/15/37/99/1277153799.db2.gz CGGKFEFYZOSMKP-TZTCFGBESA-N -1 1 325.380 2.806 20 10 EFCDMM O=C(NC[C@H](O)c1ccc2ccccc2c1)c1c([O-])c(O)ccc1F ZINC000789996544 1277154989 /nfs/dbraw/zinc/15/49/89/1277154989.db2.gz QSMTXKYHEYQFKE-INIZCTEOSA-N -1 1 341.338 2.854 20 10 EFCDMM Cc1ccc(C(=O)Nc2nc(Br)ccc2[O-])c(O)c1O ZINC000790046587 1277179740 /nfs/dbraw/zinc/17/97/40/1277179740.db2.gz IFYFPLUYVBJOGQ-UHFFFAOYSA-N -1 1 339.145 2.522 20 10 EFCDMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1c([O-])c(O)ccc1F ZINC000790077720 1277210499 /nfs/dbraw/zinc/21/04/99/1277210499.db2.gz XZFFVUNMUOCJIW-LLVKDONJSA-N -1 1 348.349 2.775 20 10 EFCDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1 ZINC000790411293 1277522637 /nfs/dbraw/zinc/52/26/37/1277522637.db2.gz JOYANBCGFAEBKX-UHFFFAOYSA-N -1 1 349.408 2.932 20 10 EFCDMM CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000790415461 1277528014 /nfs/dbraw/zinc/52/80/14/1277528014.db2.gz GAWAMSRGIKZBME-UHFFFAOYSA-N -1 1 339.344 2.593 20 10 EFCDMM Nc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1Cl ZINC001175100234 1287310779 /nfs/dbraw/zinc/31/07/79/1287310779.db2.gz KRJMEKZPTKZOSZ-UHFFFAOYSA-N -1 1 334.731 2.707 20 10 EFCDMM O=C(COC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccc([O-])c(O)c1 ZINC000792645024 1279047178 /nfs/dbraw/zinc/04/71/78/1279047178.db2.gz KBUJJDORKAPRHH-CQSZACIVSA-N -1 1 340.331 2.584 20 10 EFCDMM O=C(C[C@H]1CCCOC1)NCc1cccc(Br)c1[O-] ZINC000793967639 1279962091 /nfs/dbraw/zinc/96/20/91/1279962091.db2.gz FVFHZUNYFYEOIQ-SNVBAGLBSA-N -1 1 328.206 2.588 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC000846271013 1280093167 /nfs/dbraw/zinc/09/31/67/1280093167.db2.gz BUTWAELNCJBBQV-KRWDZBQOSA-N -1 1 345.370 2.862 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC000846271013 1280093176 /nfs/dbraw/zinc/09/31/76/1280093176.db2.gz BUTWAELNCJBBQV-KRWDZBQOSA-N -1 1 345.370 2.862 20 10 EFCDMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cc(O)c(O)c(O)c1 ZINC001148586524 1281662240 /nfs/dbraw/zinc/66/22/40/1281662240.db2.gz QVYDLMIPOGZLLC-UHFFFAOYSA-N -1 1 329.230 2.780 20 10 EFCDMM O=C(COC(=O)C1(c2cccnc2)CCCC1)c1ccc([O-])c(O)c1 ZINC000808568874 1281781874 /nfs/dbraw/zinc/78/18/74/1281781874.db2.gz SFHGYRCUWSVMFA-UHFFFAOYSA-N -1 1 341.363 2.731 20 10 EFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccsc1 ZINC000795955776 1291807577 /nfs/dbraw/zinc/80/75/77/1291807577.db2.gz KVMXZJPZMNWTDM-UHFFFAOYSA-N -1 1 348.243 2.695 20 10 EFCDMM O=C(Cc1ccc2c(c1)CCCC2)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180394765 1289509079 /nfs/dbraw/zinc/50/90/79/1289509079.db2.gz XSURXICMKMDRBT-UHFFFAOYSA-N -1 1 339.391 2.518 20 10 EFCDMM CN(C)C(=O)O[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000824576280 1289705031 /nfs/dbraw/zinc/70/50/31/1289705031.db2.gz HFZJFHRUZRZWPI-NSHDSACASA-N -1 1 333.215 2.972 20 10 EFCDMM CC(C)(Cc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182605258 1290231967 /nfs/dbraw/zinc/23/19/67/1290231967.db2.gz HVXQBIPXJRLQBB-UHFFFAOYSA-N -1 1 327.380 2.666 20 10 EFCDMM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1ccc2nsnc2c1 ZINC001186263137 1290916715 /nfs/dbraw/zinc/91/67/15/1290916715.db2.gz MOAGMTMZEWYWQT-UHFFFAOYSA-N -1 1 341.801 2.851 20 10 EFCDMM C[C@H]1CCCN(Cc2c([O-])cc(Br)cc2F)[C@@H]1CO ZINC001233027054 1312835598 /nfs/dbraw/zinc/83/55/98/1312835598.db2.gz KUYVAIMRWPZKNK-TVQRCGJNSA-N -1 1 332.213 2.887 20 10 EFCDMM C[C@H]1CC[C@@H](CO)CN1Cc1c([O-])cc(Br)cc1F ZINC001233028263 1312836424 /nfs/dbraw/zinc/83/64/24/1312836424.db2.gz LMAIGKYFFJHGAQ-VHSXEESVSA-N -1 1 332.213 2.887 20 10 EFCDMM COC(=O)[C@@]1(C)CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233033620 1312837379 /nfs/dbraw/zinc/83/73/79/1312837379.db2.gz QNFDXXMNLBIAAB-AWEZNQCLSA-N -1 1 346.196 2.679 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2)c1 ZINC000093900390 1291238539 /nfs/dbraw/zinc/23/85/39/1291238539.db2.gz LQCLBVKPAJXIGA-UHFFFAOYSA-N -1 1 340.788 2.669 20 10 EFCDMM COC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2[O-])Cc2ccccc21 ZINC000877659701 1291315395 /nfs/dbraw/zinc/31/53/95/1291315395.db2.gz ZXLPVNXFBOSUJO-AWEZNQCLSA-N -1 1 333.334 2.943 20 10 EFCDMM O=C1c2ccccc2CN1[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079967 1312850698 /nfs/dbraw/zinc/85/06/98/1312850698.db2.gz OMWUJBSXJJOAKZ-AWEZNQCLSA-N -1 1 344.361 2.901 20 10 EFCDMM Cc1ccc2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)[nH]c2c1 ZINC000775233305 1291657931 /nfs/dbraw/zinc/65/79/31/1291657931.db2.gz MZTZRKLPQAZTRB-UHFFFAOYSA-N -1 1 325.320 2.927 20 10 EFCDMM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1c(F)cc([O-])cc1F ZINC001189316972 1291671169 /nfs/dbraw/zinc/67/11/69/1291671169.db2.gz WTCWAPWTEUTNSG-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM CCc1cccc(C)c1NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001189998272 1291963369 /nfs/dbraw/zinc/96/33/69/1291963369.db2.gz MDIDCMMDDRBGIE-UHFFFAOYSA-N -1 1 328.368 2.973 20 10 EFCDMM O=C(c1ccccc1)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331669 1312904652 /nfs/dbraw/zinc/90/46/52/1312904652.db2.gz FUDURZKMCHMIPY-UHFFFAOYSA-N -1 1 332.350 2.628 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1[C@@H](CO)CCC[C@H]1C(F)(F)F ZINC001233332536 1312904928 /nfs/dbraw/zinc/90/49/28/1312904928.db2.gz ONRCTQGOYAYKBQ-PELKAZGASA-N -1 1 325.277 2.948 20 10 EFCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2F)Cc2cn(C)nc21 ZINC001233333499 1312905654 /nfs/dbraw/zinc/90/56/54/1312905654.db2.gz XYDGLBWMEDVDPV-GFCCVEGCSA-N -1 1 337.370 2.540 20 10 EFCDMM O=C1N(c2ccccc2)CC12CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233335418 1312905903 /nfs/dbraw/zinc/90/59/03/1312905903.db2.gz UKMPERDLNAJOMT-UHFFFAOYSA-N -1 1 330.334 2.519 20 10 EFCDMM [O-]c1c(CN2CCN(c3ncccn3)CC2)cccc1C(F)(F)F ZINC001233415824 1312927993 /nfs/dbraw/zinc/92/79/93/1312927993.db2.gz JKZPDTNRLWMQSQ-UHFFFAOYSA-N -1 1 338.333 2.523 20 10 EFCDMM [O-]c1c(CN2CCn3c(nnc3C3CC3)C2)cccc1C(F)(F)F ZINC001233418689 1312929016 /nfs/dbraw/zinc/92/90/16/1312929016.db2.gz RGBQDOXDKNEZQB-UHFFFAOYSA-N -1 1 338.333 2.896 20 10 EFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)C(Cl)(Cl)Cl ZINC001192034474 1292756344 /nfs/dbraw/zinc/75/63/44/1292756344.db2.gz HKHAYWUCKPFIHC-UHFFFAOYSA-N -1 1 326.535 2.740 20 10 EFCDMM O=C(c1c(F)ccc([O-])c1F)N1CCCc2cc(O)c(O)cc2C1 ZINC001192535213 1292919899 /nfs/dbraw/zinc/91/98/99/1292919899.db2.gz BVQXVDSBUFDSKC-UHFFFAOYSA-N -1 1 335.306 2.670 20 10 EFCDMM CN(C)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203587039 1312963645 /nfs/dbraw/zinc/96/36/45/1312963645.db2.gz YYRDUHJIVCCNHX-UHFFFAOYSA-N -1 1 346.258 2.935 20 10 EFCDMM Cc1cc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cnc1Cl ZINC001192576868 1292928179 /nfs/dbraw/zinc/92/81/79/1292928179.db2.gz ZNTVOZPASNLTFI-UHFFFAOYSA-N -1 1 334.731 2.828 20 10 EFCDMM CN1CCN(C(=O)c2ccc(O)c([O-])c2Cl)[C@H](c2ccccc2)C1 ZINC001193209893 1293198391 /nfs/dbraw/zinc/19/83/91/1293198391.db2.gz PNRJZXKKWRGAPI-AWEZNQCLSA-N -1 1 346.814 2.880 20 10 EFCDMM COc1ccc2[nH]c(NC(=O)c3ccc(O)c([O-])c3Cl)nc2c1 ZINC001193209901 1293198436 /nfs/dbraw/zinc/19/84/36/1293198436.db2.gz PWMZVMIMTFBIOW-UHFFFAOYSA-N -1 1 333.731 2.888 20 10 EFCDMM COc1cccc2ncnc(NC(=O)c3ccc(O)c([O-])c3Cl)c21 ZINC001193219339 1293199590 /nfs/dbraw/zinc/19/95/90/1293199590.db2.gz GBODAGITGNXPAG-UHFFFAOYSA-N -1 1 345.742 2.955 20 10 EFCDMM Nc1cnc(N(C(=O)c2ccc(O)c([O-])c2Cl)C2CCCC2)nc1 ZINC001193220369 1293200407 /nfs/dbraw/zinc/20/04/07/1293200407.db2.gz TXNZJJMYFXVGRD-UHFFFAOYSA-N -1 1 348.790 2.713 20 10 EFCDMM O=C(NC1(C(F)(F)F)CCOCC1)c1ccc(O)c([O-])c1Cl ZINC001193236613 1293208543 /nfs/dbraw/zinc/20/85/43/1293208543.db2.gz JNOONSZKIXJMRH-UHFFFAOYSA-N -1 1 339.697 2.593 20 10 EFCDMM O=C(NCCOc1ccccc1F)c1ccc(O)c([O-])c1Cl ZINC001193236796 1293209568 /nfs/dbraw/zinc/20/95/68/1293209568.db2.gz RJYQVAIFOXVYSU-UHFFFAOYSA-N -1 1 325.723 2.699 20 10 EFCDMM COC(=O)c1cccc2c1CN(C(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193225182 1293223163 /nfs/dbraw/zinc/22/31/63/1293223163.db2.gz IZLUCTSCMDXRNL-UHFFFAOYSA-N -1 1 347.754 2.694 20 10 EFCDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)nnn3C)ccc1O ZINC000882799721 1293327678 /nfs/dbraw/zinc/32/76/78/1293327678.db2.gz MCPPBXPPPXKQHK-UHFFFAOYSA-N -1 1 346.412 2.598 20 10 EFCDMM O=C(Nc1ccccc1-c1nc[nH]n1)c1cc(O)c(O)c(Cl)c1 ZINC001193624700 1293373189 /nfs/dbraw/zinc/37/31/89/1293373189.db2.gz JRWMORHLSSANGU-UHFFFAOYSA-N -1 1 330.731 2.789 20 10 EFCDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000132328259 1293651168 /nfs/dbraw/zinc/65/11/68/1293651168.db2.gz WQCGDCYFJUCASE-UHFFFAOYSA-N -1 1 326.305 2.549 20 10 EFCDMM CCCN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000775644017 1293847575 /nfs/dbraw/zinc/84/75/75/1293847575.db2.gz ZRYXSUMHUXRKPY-GFCCVEGCSA-N -1 1 335.828 2.584 20 10 EFCDMM O=C(CNC(=O)c1ccc(Cl)nc1C1CC1)c1ccc([O-])c(O)c1 ZINC001197277000 1294483192 /nfs/dbraw/zinc/48/31/92/1294483192.db2.gz UVGXVJQAARLFEO-UHFFFAOYSA-N -1 1 346.770 2.636 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197608297 1294638405 /nfs/dbraw/zinc/63/84/05/1294638405.db2.gz ILBFRTAVAJPXQO-UHFFFAOYSA-N -1 1 329.324 2.621 20 10 EFCDMM Cc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(C)c1Cl ZINC001198240214 1294950103 /nfs/dbraw/zinc/95/01/03/1294950103.db2.gz FIKHCITXYZQSQM-UHFFFAOYSA-N -1 1 333.771 2.981 20 10 EFCDMM CCOC(=O)[C@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccccc1 ZINC001234473523 1313135787 /nfs/dbraw/zinc/13/57/87/1313135787.db2.gz GVZCODJDWRVJFD-QGZVFWFLSA-N -1 1 330.336 2.984 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 ZINC001234478069 1313136408 /nfs/dbraw/zinc/13/64/08/1313136408.db2.gz XGPYJWAMGMWPSX-GFCCVEGCSA-N -1 1 349.383 2.855 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1OC1CCN(C(=O)OC(C)C)CC1 ZINC001234474669 1313136471 /nfs/dbraw/zinc/13/64/71/1313136471.db2.gz VOKAZGNMGYLLPP-UHFFFAOYSA-N -1 1 337.372 2.689 20 10 EFCDMM [O-]c1c(F)cc(Br)cc1C[N@H+]1CCCC2(COC2)C1 ZINC001235058394 1313233392 /nfs/dbraw/zinc/23/33/92/1313233392.db2.gz KKTGEXZHJRDMNR-UHFFFAOYSA-N -1 1 330.197 2.906 20 10 EFCDMM CN(Cc1cncnc1)Cc1cc(Br)cc(F)c1[O-] ZINC001235076174 1313237774 /nfs/dbraw/zinc/23/77/74/1313237774.db2.gz STNDCYTVLZTSGP-UHFFFAOYSA-N -1 1 326.169 2.716 20 10 EFCDMM [O-]c1c(Br)cc(F)cc1CN1CCCC2(COC2)C1 ZINC001235295645 1313283955 /nfs/dbraw/zinc/28/39/55/1313283955.db2.gz YWYOCBWSOONHKK-UHFFFAOYSA-N -1 1 330.197 2.906 20 10 EFCDMM COC(=O)[C@@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235296506 1313284093 /nfs/dbraw/zinc/28/40/93/1313284093.db2.gz JBTFWZCSZLZCRB-SECBINFHSA-N -1 1 346.196 2.679 20 10 EFCDMM C[C@@H]1CO[C@@H]2CN(Cc3cc(F)cc(Br)c3[O-])C[C@H]12 ZINC001235304828 1313286122 /nfs/dbraw/zinc/28/61/22/1313286122.db2.gz CUCOZTAIUDFZOD-XTWCZFFVSA-N -1 1 330.197 2.761 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@H](F)C(=O)C2)c1 ZINC001236663953 1313505406 /nfs/dbraw/zinc/50/54/06/1313505406.db2.gz RDBQABFNJXHQNS-LBPRGKRZSA-N -1 1 330.197 2.966 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCc3nn(C)cc3C2)c1 ZINC001236666492 1313505445 /nfs/dbraw/zinc/50/54/45/1313505445.db2.gz QZVZQUAPRWXDIH-UHFFFAOYSA-N -1 1 336.233 2.755 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCN(CCF)CC2)c1 ZINC001236666393 1313505747 /nfs/dbraw/zinc/50/57/47/1313505747.db2.gz PAOPYYBHIXFDES-UHFFFAOYSA-N -1 1 331.229 2.550 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCC(=O)[C@H](F)CC2)c1 ZINC001236664583 1313506055 /nfs/dbraw/zinc/50/60/55/1313506055.db2.gz WAPOVOSQKNWKRW-GFCCVEGCSA-N -1 1 330.197 2.966 20 10 EFCDMM CCc1nnc2n1CCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236800505 1313531670 /nfs/dbraw/zinc/53/16/70/1313531670.db2.gz VAYFVSHHIKMBQR-UHFFFAOYSA-N -1 1 327.215 2.869 20 10 EFCDMM CCOC(=O)[C@@H]1CN(Cc2ccc(OC)c(Cl)c2[O-])CCS1 ZINC001236806553 1313533014 /nfs/dbraw/zinc/53/30/14/1313533014.db2.gz BRXAQYZACAVZPJ-LBPRGKRZSA-N -1 1 345.848 2.535 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(c2cccnn2)CC1 ZINC001237080327 1313583262 /nfs/dbraw/zinc/58/32/62/1313583262.db2.gz ACOUOTDGQGEBRM-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(c2ccncn2)CC1 ZINC001237084611 1313583559 /nfs/dbraw/zinc/58/35/59/1313583559.db2.gz MBQAGEOFIAHFLZ-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM CC(C)(C)OC(=O)NC1CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237119239 1313589454 /nfs/dbraw/zinc/58/94/54/1313589454.db2.gz CGHQAQHESMKCEH-UHFFFAOYSA-N -1 1 330.787 2.894 20 10 EFCDMM COC[C@H]1Cn2ccnc2CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237120312 1313589475 /nfs/dbraw/zinc/58/94/75/1313589475.db2.gz BMXHBUYXDMLOAG-LLVKDONJSA-N -1 1 339.798 2.660 20 10 EFCDMM CCOC(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237623274 1313678644 /nfs/dbraw/zinc/67/86/44/1313678644.db2.gz KTOXJTFHTBKGDS-UHFFFAOYSA-N -1 1 330.787 2.895 20 10 EFCDMM C[C@@H]1CN(Cc2cccc(I)c2[O-])C[C@@H]1F ZINC001237778579 1313703242 /nfs/dbraw/zinc/70/32/42/1313703242.db2.gz YFDUSUMBIIWNML-SCZZXKLOSA-N -1 1 335.160 2.787 20 10 EFCDMM CC1=CCC=C[C@H]1C(=O)N1CCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001276537902 1313704766 /nfs/dbraw/zinc/70/47/66/1313704766.db2.gz PHQVEJHVVPXKKF-MRXNPFEDSA-N -1 1 342.414 2.840 20 10 EFCDMM [O-]c1c(I)cccc1CN1CCSCC1 ZINC001237778235 1313704816 /nfs/dbraw/zinc/70/48/16/1313704816.db2.gz VBQXTCORCWRNTC-UHFFFAOYSA-N -1 1 335.210 2.546 20 10 EFCDMM C[C@@H]1CN(Cc2cccc(I)c2[O-])C[C@H](C)O1 ZINC001237787513 1313706307 /nfs/dbraw/zinc/70/63/07/1313706307.db2.gz TUUPZQGEDRREFD-AOOOYVTPSA-N -1 1 347.196 2.606 20 10 EFCDMM Cc1ccnc(O[C@H]2CCN(Cc3cc(F)cc(Cl)c3[O-])C2)n1 ZINC001237803293 1313709069 /nfs/dbraw/zinc/70/90/69/1313709069.db2.gz SCBGCSJTQSOXAJ-ZDUSSCGKSA-N -1 1 337.782 2.936 20 10 EFCDMM CCOC(=O)NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237803884 1313709190 /nfs/dbraw/zinc/70/91/90/1313709190.db2.gz VMRKGPSKLICEEB-UHFFFAOYSA-N -1 1 330.787 2.895 20 10 EFCDMM CC(C)NC(=O)N[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237801999 1313709347 /nfs/dbraw/zinc/70/93/47/1313709347.db2.gz KDRRAUXSLUTJOI-ZDUSSCGKSA-N -1 1 343.830 2.857 20 10 EFCDMM Oc1cc(Cl)c(F)cc1CN1CC[NH+](CCc2ccncc2)CC1 ZINC001237938005 1313733522 /nfs/dbraw/zinc/73/35/22/1313733522.db2.gz WFLXZICXTUWPPA-UHFFFAOYSA-N -1 1 349.837 2.940 20 10 EFCDMM Cc1ccnc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)n1 ZINC001237941528 1313734442 /nfs/dbraw/zinc/73/44/42/1313734442.db2.gz YDYVRKAEDRYAJO-UHFFFAOYSA-N -1 1 336.798 2.605 20 10 EFCDMM CC(C)CC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237950464 1313735796 /nfs/dbraw/zinc/73/57/96/1313735796.db2.gz VBSLRGZIJRBKIQ-UHFFFAOYSA-N -1 1 328.815 2.875 20 10 EFCDMM O=C([O-])c1cc(F)ccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001238238218 1313788893 /nfs/dbraw/zinc/78/88/93/1313788893.db2.gz KJVVSRQGOVVUDE-UHFFFAOYSA-N -1 1 331.343 2.884 20 10 EFCDMM COc1cccc2c1CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2 ZINC000862530295 1302405912 /nfs/dbraw/zinc/40/59/12/1302405912.db2.gz YTPHCJBZJCTJQC-UHFFFAOYSA-N -1 1 330.340 2.833 20 10 EFCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC1(C)COC1 ZINC000863299127 1302579782 /nfs/dbraw/zinc/57/97/82/1302579782.db2.gz VFCKPVFTSYMIRB-UHFFFAOYSA-N -1 1 341.407 2.797 20 10 EFCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC1(C)COC1 ZINC000863299127 1302579797 /nfs/dbraw/zinc/57/97/97/1302579797.db2.gz VFCKPVFTSYMIRB-UHFFFAOYSA-N -1 1 341.407 2.797 20 10 EFCDMM CCn1ncnc1CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000794840636 1303282052 /nfs/dbraw/zinc/28/20/52/1303282052.db2.gz JTHWTHVNWSFEJL-MRVPVSSYSA-N -1 1 343.200 2.756 20 10 EFCDMM CCCc1nc(C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000782885450 1311368906 /nfs/dbraw/zinc/36/89/06/1311368906.db2.gz TXRFGQSXEYJTSI-UHFFFAOYSA-N -1 1 335.381 2.855 20 10 EFCDMM CC(C)n1ccc2c1ncnc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001159278868 1311484336 /nfs/dbraw/zinc/48/43/36/1311484336.db2.gz DXTVCOWBTHDKQV-UHFFFAOYSA-N -1 1 326.356 2.718 20 10 EFCDMM O=C(CNc1ncnc2ccc(Cl)cc21)c1ccc([O-])c(O)c1 ZINC001159276588 1311484528 /nfs/dbraw/zinc/48/45/28/1311484528.db2.gz LKLFFWBZAUQTTB-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM CSc1cnc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159278833 1311484536 /nfs/dbraw/zinc/48/45/36/1311484536.db2.gz DDLHTQQKMWXIRC-UHFFFAOYSA-N -1 1 325.777 2.558 20 10 EFCDMM CCc1cc2c(ncnc2NCC(=O)c2ccc([O-])c(O)c2)s1 ZINC001159276070 1311484716 /nfs/dbraw/zinc/48/47/16/1311484716.db2.gz DNWUAKKYGVQLPV-UHFFFAOYSA-N -1 1 329.381 2.960 20 10 EFCDMM O=C(CNc1cc(Cl)nc2ncccc12)c1ccc([O-])c(O)c1 ZINC001159276439 1311484888 /nfs/dbraw/zinc/48/48/88/1311484888.db2.gz IKPQUNXMSCKSSF-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1ccc(COC2CCC2)cn1)c1ccc([O-])c(O)c1 ZINC001159280148 1311485604 /nfs/dbraw/zinc/48/56/04/1311485604.db2.gz CAILPMJJPNXEIO-UHFFFAOYSA-N -1 1 328.368 2.857 20 10 EFCDMM C[C@H]1COCC[C@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227576669 1311824064 /nfs/dbraw/zinc/82/40/64/1311824064.db2.gz CXQYOQPUHBQABC-MEDUHNTESA-N -1 1 338.359 2.971 20 10 EFCDMM CC[C@H](COC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580160 1311824947 /nfs/dbraw/zinc/82/49/47/1311824947.db2.gz ICOUVJQOYOEELQ-LLVKDONJSA-N -1 1 326.348 2.971 20 10 EFCDMM C[C@@H]1C[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)CCO1 ZINC001228110604 1311900870 /nfs/dbraw/zinc/90/08/70/1311900870.db2.gz KXTXTNWHVOVKMV-BXUZGUMPSA-N -1 1 344.363 2.981 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC[C@@H]1CCCO1 ZINC001228112427 1311901582 /nfs/dbraw/zinc/90/15/82/1311901582.db2.gz ZGCRZOVGBXBTPZ-ZDUSSCGKSA-N -1 1 330.336 2.592 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1CCCOC1 ZINC001228116266 1311902036 /nfs/dbraw/zinc/90/20/36/1311902036.db2.gz WODRMEIHGJHMBY-ZDUSSCGKSA-N -1 1 330.336 2.592 20 10 EFCDMM C[C@H]1OCC[C@H]1COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228114567 1311902189 /nfs/dbraw/zinc/90/21/89/1311902189.db2.gz IKDOSQUOQLPKEP-YPMHNXCESA-N -1 1 344.363 2.838 20 10 EFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@@H]1C=CCC1 ZINC001229791274 1312140566 /nfs/dbraw/zinc/14/05/66/1312140566.db2.gz MKGVIRWNRFYKCC-SNVBAGLBSA-N -1 1 344.319 2.543 20 10 EFCDMM CC(C)(C)NC(=O)c1cc2c([nH]1)CN(Cc1c([O-])cccc1F)CC2 ZINC001277484707 1312424761 /nfs/dbraw/zinc/42/47/61/1312424761.db2.gz RYKMGVCGOIWVPI-UHFFFAOYSA-N -1 1 345.418 2.946 20 10 EFCDMM O=C([O-])c1ccc(CN2CCN(Cc3ccccc3F)CC2)c(O)c1 ZINC001231452265 1312499956 /nfs/dbraw/zinc/49/99/56/1312499956.db2.gz JGXIQJYIVIPTMA-UHFFFAOYSA-N -1 1 344.386 2.547 20 10 EFCDMM COC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C(C)(C)C ZINC000119002086 1314562078 /nfs/dbraw/zinc/56/20/78/1314562078.db2.gz UGFZCIKDYSUBPG-CQSZACIVSA-N -1 1 327.808 2.926 20 10 EFCDMM COc1ccc(CN2CC(C)(C)C2)c([O-])c1I ZINC001248482132 1314938696 /nfs/dbraw/zinc/93/86/96/1314938696.db2.gz ROFKVRODLXJGAC-UHFFFAOYSA-N -1 1 347.196 2.847 20 10 EFCDMM Cc1nc(CN(C)Cc2cc(C)cc(Br)c2[O-])no1 ZINC000827892356 1316030006 /nfs/dbraw/zinc/03/00/06/1316030006.db2.gz WQIXHONGBVTPFH-UHFFFAOYSA-N -1 1 326.194 2.787 20 10 EFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cc(F)c(F)cc1F ZINC001259040502 1316201547 /nfs/dbraw/zinc/20/15/47/1316201547.db2.gz OLBIRHAOHGHEGK-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(F)c(F)c1F ZINC001259080603 1316205695 /nfs/dbraw/zinc/20/56/95/1316205695.db2.gz KYQWQMNNPNIABI-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C)cc1O ZINC001259383829 1316235294 /nfs/dbraw/zinc/23/52/94/1316235294.db2.gz YYHUYWYUWPAVOW-UHFFFAOYSA-N -1 1 334.353 2.657 20 10 EFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cc(F)c(F)c(F)c1 ZINC001259501391 1316252106 /nfs/dbraw/zinc/25/21/06/1316252106.db2.gz JGYGGYOFGQQBNF-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM O=S(=O)(CCc1ccc(F)cc1)Nc1ccc([O-])c(F)c1F ZINC001259760065 1316274199 /nfs/dbraw/zinc/27/41/99/1316274199.db2.gz HQBNWNPSTLKCEX-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1cc(F)c(F)cc1Cl ZINC001260288927 1316328639 /nfs/dbraw/zinc/32/86/39/1316328639.db2.gz HNFRENGALIZDJS-UHFFFAOYSA-N -1 1 349.742 2.508 20 10 EFCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001260844976 1316373737 /nfs/dbraw/zinc/37/37/37/1316373737.db2.gz DBCGRFBCMIDUHZ-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c1 ZINC001260843301 1316374075 /nfs/dbraw/zinc/37/40/75/1316374075.db2.gz CIISQKTULFVFJI-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000399042845 1316423571 /nfs/dbraw/zinc/42/35/71/1316423571.db2.gz CQPPTTYCPZALGW-MWLCHTKSSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000399042845 1316423572 /nfs/dbraw/zinc/42/35/72/1316423572.db2.gz CQPPTTYCPZALGW-MWLCHTKSSA-N -1 1 328.206 2.697 20 10 EFCDMM CCOc1ccc(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC001320290499 1329107874 /nfs/dbraw/zinc/10/78/74/1329107874.db2.gz RLIMMNLSBBVQMI-UHFFFAOYSA-N -1 1 344.386 2.892 20 10 EFCDMM Cc1nnc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])n1C ZINC001321025131 1329332639 /nfs/dbraw/zinc/33/26/39/1329332639.db2.gz ZJSOPVFMHMBBNY-SSDOTTSWSA-N -1 1 343.200 2.582 20 10 EFCDMM Cc1ccccc1C(F)(F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC001322164527 1329434513 /nfs/dbraw/zinc/43/45/13/1329434513.db2.gz FCTFWIFOICIVBZ-UHFFFAOYSA-N -1 1 336.290 2.924 20 10 EFCDMM CCN(CC)c1ccc(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1 ZINC001346200236 1332610752 /nfs/dbraw/zinc/61/07/52/1332610752.db2.gz LHBZAMSYRWBWIE-UHFFFAOYSA-N -1 1 346.456 2.556 20 10 EFCDMM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc2ccccc2c1[O-] ZINC000935947397 1335465233 /nfs/dbraw/zinc/46/52/33/1335465233.db2.gz XFGHAEHVBJAKLK-UHFFFAOYSA-N -1 1 343.379 2.649 20 10 EFCDMM Oc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000738401255 1429266236 /nfs/dbraw/zinc/26/62/36/1429266236.db2.gz RALCOLQKMAMFDE-UHFFFAOYSA-N -1 1 336.277 2.598 20 10 EFCDMM COc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1O ZINC000826215972 1424910866 /nfs/dbraw/zinc/91/08/66/1424910866.db2.gz FHPHGGKYYJYNIM-UHFFFAOYSA-N -1 1 348.366 2.741 20 10 EFCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000736819852 1427019460 /nfs/dbraw/zinc/01/94/60/1427019460.db2.gz QLMUTGTZWMTHNU-UHFFFAOYSA-N -1 1 349.442 2.888 20 10 EFCDMM COc1ccc(O)c([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737106186 1443503507 /nfs/dbraw/zinc/50/35/07/1443503507.db2.gz OWVFPGNLLHWCJG-SECBINFHSA-N -1 1 329.335 2.893 20 10 EFCDMM Cc1cc(C)c(-c2nnn[n-]2)c(NCCCSc2nccs2)n1 ZINC000826262941 1446156514 /nfs/dbraw/zinc/15/65/14/1446156514.db2.gz DWLXKTNREIPVQA-UHFFFAOYSA-N -1 1 347.473 2.929 20 10 EFCDMM COc1ccc2c(c1)CCCN2Cc1cc(-c2nnn[n-]2)cs1 ZINC000826213285 1446799265 /nfs/dbraw/zinc/79/92/65/1446799265.db2.gz RONKTSKAOZROLD-UHFFFAOYSA-N -1 1 327.413 2.890 20 10 EFCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000821610723 1447222597 /nfs/dbraw/zinc/22/25/97/1447222597.db2.gz BVNGGNIJLUXAKV-UHFFFAOYSA-N -1 1 349.442 2.888 20 10 EFCDMM Clc1ccc(C2=CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000826351514 1450503028 /nfs/dbraw/zinc/50/30/28/1450503028.db2.gz PNHDPAUDTCHVAP-UHFFFAOYSA-N -1 1 339.790 2.604 20 10 EFCDMM COC(=O)[C@H](CC1CC1)NCc1cc(C)cc(Br)c1[O-] ZINC000840958097 719195898 /nfs/dbraw/zinc/19/58/98/719195898.db2.gz NNILKRPPBSOCSM-ZDUSSCGKSA-N -1 1 342.233 2.894 20 10 EFCDMM [O-]c1c(Br)cc(Cl)cc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000894532743 722774153 /nfs/dbraw/zinc/77/41/53/722774153.db2.gz FLSCKVAPNNAOFX-TVQRCGJNSA-N -1 1 332.625 2.622 20 10 EFCDMM CC[N@H+](CCOC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199508 723844927 /nfs/dbraw/zinc/84/49/27/723844927.db2.gz VUONWFNGNZXVIT-UHFFFAOYSA-N -1 1 329.396 2.797 20 10 EFCDMM CC[N@@H+](CCOC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199508 723844930 /nfs/dbraw/zinc/84/49/30/723844930.db2.gz VUONWFNGNZXVIT-UHFFFAOYSA-N -1 1 329.396 2.797 20 10 EFCDMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)CC ZINC000840711618 723994133 /nfs/dbraw/zinc/99/41/33/723994133.db2.gz ASVQUFLXUNBRES-XYOKQWHBSA-N -1 1 337.422 2.890 20 10 EFCDMM O=C1[N-]C(=O)C(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)S1 ZINC000915840184 727199624 /nfs/dbraw/zinc/19/96/24/727199624.db2.gz SQQRPHJMMSXKBE-LCYFTJDESA-N -1 1 333.369 2.909 20 10 EFCDMM O=C(COc1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590127 727698823 /nfs/dbraw/zinc/69/88/23/727698823.db2.gz NZDJHNSKPHXOGY-UHFFFAOYSA-N -1 1 336.727 2.556 20 10 EFCDMM O=C(COC(=O)c1ccccc1OC(F)F)c1ccc([O-])c(O)c1 ZINC000916595386 727699942 /nfs/dbraw/zinc/69/99/42/727699942.db2.gz GLDPJUVQJGUJEB-UHFFFAOYSA-N -1 1 338.262 2.739 20 10 EFCDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1O ZINC000156358900 727911061 /nfs/dbraw/zinc/91/10/61/727911061.db2.gz NWBVVHOHTONMLU-UHFFFAOYSA-N -1 1 340.332 2.857 20 10 EFCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OCC(F)(F)F)nc1 ZINC000182260672 728025470 /nfs/dbraw/zinc/02/54/70/728025470.db2.gz WTNVFXAHBKJBAG-UHFFFAOYSA-N -1 1 348.302 2.529 20 10 EFCDMM CCCC[C@H](CC)CNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920976842 729249935 /nfs/dbraw/zinc/24/99/35/729249935.db2.gz YBERRBBYEHPMHZ-LFGHMXSPSA-N -1 1 339.505 2.576 20 10 EFCDMM CCCC[C@@H](CC)CNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920976844 729249947 /nfs/dbraw/zinc/24/99/47/729249947.db2.gz YBERRBBYEHPMHZ-PCRWRXJSSA-N -1 1 339.505 2.576 20 10 EFCDMM CCCCCC[C@@H](C)NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920977147 729249955 /nfs/dbraw/zinc/24/99/55/729249955.db2.gz ZWMPYDGFAMSDMP-JFBXQDQPSA-N -1 1 339.505 2.718 20 10 EFCDMM O=C([O-])[C@@H]1C[N@H+](Cc2ccc(Br)cc2[O-])C[C@H]1C1CC1 ZINC001602188710 971171405 /nfs/dbraw/zinc/17/14/05/971171405.db2.gz LUZOSEBNTVZMQE-QWHCGFSZSA-N -1 1 340.217 2.697 20 10 EFCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])C[C@H]1C1CC1 ZINC001602188710 971171409 /nfs/dbraw/zinc/17/14/09/971171409.db2.gz LUZOSEBNTVZMQE-QWHCGFSZSA-N -1 1 340.217 2.697 20 10 EFCDMM CC(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000848590622 955762913 /nfs/dbraw/zinc/76/29/13/955762913.db2.gz NVDSAPWLLFSJNG-JTQLQIEISA-N -1 1 349.214 2.855 20 10 EFCDMM Cc1cc(Br)cc(CN2CCC[C@@]2(C)C(=O)[O-])c1O ZINC001594272053 957683998 /nfs/dbraw/zinc/68/39/98/957683998.db2.gz OREQHEYCZOZXEA-AWEZNQCLSA-N -1 1 328.206 2.902 20 10 EFCDMM Cc1cc(O)c(C[N@@H+](CCC(=O)[O-])C2CCOCC2)cc1Cl ZINC001594325348 958162967 /nfs/dbraw/zinc/16/29/67/958162967.db2.gz RJZRTOOIHUNCAK-UHFFFAOYSA-N -1 1 327.808 2.810 20 10 EFCDMM Cc1cc([O-])c(C[N@H+](CCC(=O)[O-])C2CCOCC2)cc1Cl ZINC001594325348 958162977 /nfs/dbraw/zinc/16/29/77/958162977.db2.gz RJZRTOOIHUNCAK-UHFFFAOYSA-N -1 1 327.808 2.810 20 10 EFCDMM Cc1cc([O-])c(C[N@@H+](CCC(=O)[O-])C2CCOCC2)cc1Cl ZINC001594325348 958162990 /nfs/dbraw/zinc/16/29/90/958162990.db2.gz RJZRTOOIHUNCAK-UHFFFAOYSA-N -1 1 327.808 2.810 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C)c2)c1[O-] ZINC001588528040 958879000 /nfs/dbraw/zinc/87/90/00/958879000.db2.gz MVVBHOIAFXCLFU-MRXNPFEDSA-N -1 1 331.343 2.958 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC001588528264 958884840 /nfs/dbraw/zinc/88/48/40/958884840.db2.gz VSTJWSRMPWBWHL-MRXNPFEDSA-N -1 1 331.343 2.519 20 10 EFCDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(F)cc1Cl ZINC001259212472 960663935 /nfs/dbraw/zinc/66/39/35/960663935.db2.gz OZFAWQBCAFMSCV-UHFFFAOYSA-N -1 1 345.735 2.684 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000842935098 969233649 /nfs/dbraw/zinc/23/36/49/969233649.db2.gz INJDSMIYTRONBH-KOLCDFICSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000842935098 969233653 /nfs/dbraw/zinc/23/36/53/969233653.db2.gz INJDSMIYTRONBH-KOLCDFICSA-N -1 1 325.792 2.933 20 10 EFCDMM Cc1cc(CN2CCO[C@@H](CC(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846273217 979438019 /nfs/dbraw/zinc/43/80/19/979438019.db2.gz TYOPQMNTGQRXJK-KRWDZBQOSA-N -1 1 332.444 2.661 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000863534746 979675754 /nfs/dbraw/zinc/67/57/54/979675754.db2.gz PZRCFVHDQAOBOW-TVQRCGJNSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000863534746 979675761 /nfs/dbraw/zinc/67/57/61/979675761.db2.gz PZRCFVHDQAOBOW-TVQRCGJNSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1O ZINC001589268712 985955946 /nfs/dbraw/zinc/95/59/46/985955946.db2.gz XLKDNHLNNHLOID-MWLCHTKSSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1[O-] ZINC001589268712 985955957 /nfs/dbraw/zinc/95/59/57/985955957.db2.gz XLKDNHLNNHLOID-MWLCHTKSSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1[O-] ZINC001589268712 985955969 /nfs/dbraw/zinc/95/59/69/985955969.db2.gz XLKDNHLNNHLOID-MWLCHTKSSA-N -1 1 325.792 2.791 20 10 EFCDMM COc1ccc(C(=O)[O-])c2c1CN(Cc1cc(F)cc(F)c1O)CC2 ZINC001599502267 997147351 /nfs/dbraw/zinc/14/73/51/997147351.db2.gz ZHAVEWVPRWWZTB-UHFFFAOYSA-N -1 1 349.333 2.936 20 10 EFCDMM C[C@]1(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCCCO1 ZINC001594010067 997441938 /nfs/dbraw/zinc/44/19/38/997441938.db2.gz IURQOFFJPYOCQB-MRXNPFEDSA-N -1 1 327.808 2.891 20 10 EFCDMM C[C@]1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCCCO1 ZINC001594010067 997441939 /nfs/dbraw/zinc/44/19/39/997441939.db2.gz IURQOFFJPYOCQB-MRXNPFEDSA-N -1 1 327.808 2.891 20 10 EFCDMM COc1ccc([C@@H](NCc2ccc(OC)c(C)c2)C(=O)[O-])c(OC)c1 ZINC001599533293 997698399 /nfs/dbraw/zinc/69/83/99/997698399.db2.gz ZJIRTBDSGKHXIQ-GOSISDBHSA-N -1 1 345.395 2.936 20 10 EFCDMM Cc1ccc(NCc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)n1 ZINC001592185087 1094020901 /nfs/dbraw/zinc/02/09/01/1094020901.db2.gz RXCUVDZAWFXDKO-UHFFFAOYSA-N -1 1 335.415 2.782 20 10 EFCDMM Cc1ccc(NCc2ccc(N3CCCC3)cc2)c(-c2nn[n-]n2)n1 ZINC001592185087 1094020908 /nfs/dbraw/zinc/02/09/08/1094020908.db2.gz RXCUVDZAWFXDKO-UHFFFAOYSA-N -1 1 335.415 2.782 20 10 EFCDMM Clc1ccc(C2=CCN(c3cccnc3-c3nnn[n-]3)CC2)cn1 ZINC001592527850 1094123780 /nfs/dbraw/zinc/12/37/80/1094123780.db2.gz MMHLHKYMPTXVIM-UHFFFAOYSA-N -1 1 339.790 2.604 20 10 EFCDMM Clc1ccc(C2=CCN(c3cccnc3-c3nn[n-]n3)CC2)cn1 ZINC001592527850 1094123784 /nfs/dbraw/zinc/12/37/84/1094123784.db2.gz MMHLHKYMPTXVIM-UHFFFAOYSA-N -1 1 339.790 2.604 20 10 EFCDMM Oc1ccccc1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001593539978 1094353348 /nfs/dbraw/zinc/35/33/48/1094353348.db2.gz KTELVFHBXHZCQM-UHFFFAOYSA-N -1 1 336.277 2.598 20 10 EFCDMM Oc1ccccc1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001593539978 1094353359 /nfs/dbraw/zinc/35/33/59/1094353359.db2.gz KTELVFHBXHZCQM-UHFFFAOYSA-N -1 1 336.277 2.598 20 10 EFCDMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC001600076853 1094756135 /nfs/dbraw/zinc/75/61/35/1094756135.db2.gz QLJDBBUCNRMBKE-OAHLLOKOSA-N -1 1 326.396 2.683 20 10 EFCDMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC001600831278 1095365805 /nfs/dbraw/zinc/36/58/05/1095365805.db2.gz NRCFLQZJBWLFOV-UHFFFAOYSA-N -1 1 348.374 2.552 20 10 EFCDMM O=C([O-])c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC001601530975 1095719468 /nfs/dbraw/zinc/71/94/68/1095719468.db2.gz GTCJHABHXRIGPJ-UHFFFAOYSA-N -1 1 341.150 2.722 20 10 EFCDMM O=C([O-])C1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCC1 ZINC001601707441 1095857163 /nfs/dbraw/zinc/85/71/63/1095857163.db2.gz HNIOZMCTYLDFRC-UHFFFAOYSA-N -1 1 328.206 2.889 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CC2(CCC2)CO1 ZINC001602057183 1096044955 /nfs/dbraw/zinc/04/49/55/1096044955.db2.gz MQXLJJVYHDIHHV-AWEZNQCLSA-N -1 1 339.819 2.891 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CC2(CCC2)CO1 ZINC001602057183 1096044964 /nfs/dbraw/zinc/04/49/64/1096044964.db2.gz MQXLJJVYHDIHHV-AWEZNQCLSA-N -1 1 339.819 2.891 20 10 EFCDMM O=C([O-])Cn1ncc2ccc(NCc3ccc(F)c(F)c3O)cc21 ZINC001602169669 1096099948 /nfs/dbraw/zinc/09/99/48/1096099948.db2.gz LBIUZJGMNBXGLI-UHFFFAOYSA-N -1 1 333.294 2.717 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2cccc(O)c2)c1[O-] ZINC001603103321 1096442811 /nfs/dbraw/zinc/44/28/11/1096442811.db2.gz LUCXVAPRDUQJEB-HNNXBMFYSA-N -1 1 349.770 2.869 20 10 EFCDMM C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])[C@H](C(=O)[O-])C1 ZINC001604753629 1096948550 /nfs/dbraw/zinc/94/85/50/1096948550.db2.gz FWNJNPITNVRTIP-SKDRFNHKSA-N -1 1 328.206 2.840 20 10 EFCDMM Cc1cc(O)c(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c(Cl)c1 ZINC001605744948 1097213072 /nfs/dbraw/zinc/21/30/72/1097213072.db2.gz SWXQCOUTMKRREL-UHFFFAOYSA-N -1 1 345.794 2.747 20 10 EFCDMM COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1O ZINC001607167329 1097549776 /nfs/dbraw/zinc/54/97/76/1097549776.db2.gz SHHXIWUHDLAQCZ-ZBEGNZNMSA-N -1 1 325.792 2.741 20 10 EFCDMM COc1ccc(C(=O)[O-])c2c1CN(Cc1cc(F)ccc1O)CC2 ZINC001607214789 1097563170 /nfs/dbraw/zinc/56/31/70/1097563170.db2.gz LMLFKDRVJIURGM-UHFFFAOYSA-N -1 1 331.343 2.796 20 10 EFCDMM COc1ccc(N2CCCN(Cc3cncc(C(=O)[O-])c3)CC2)cc1 ZINC001607269515 1097581172 /nfs/dbraw/zinc/58/11/72/1097581172.db2.gz OTTKGEPUWRKHCN-UHFFFAOYSA-N -1 1 341.411 2.501 20 10 EFCDMM CCc1oc(CNCc2ccc(N3CCOCC3)cc2)cc1C(=O)[O-] ZINC001610081451 1098543148 /nfs/dbraw/zinc/54/31/48/1098543148.db2.gz PGRZULZOSOHNLJ-UHFFFAOYSA-N -1 1 344.411 2.667 20 10 EFCDMM COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])c(OC)c1 ZINC001610324683 1098621410 /nfs/dbraw/zinc/62/14/10/1098621410.db2.gz LCSUBIFXIPYGQH-GOSISDBHSA-N -1 1 343.379 2.554 20 10 EFCDMM O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC001610725787 1098851941 /nfs/dbraw/zinc/85/19/41/1098851941.db2.gz JFEXAMQXGGNGMQ-OAHLLOKOSA-N -1 1 340.301 2.779 20 10 EFCDMM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC001610725787 1098851953 /nfs/dbraw/zinc/85/19/53/1098851953.db2.gz JFEXAMQXGGNGMQ-OAHLLOKOSA-N -1 1 340.301 2.779 20 10 EFCDMM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC001610765862 1098874072 /nfs/dbraw/zinc/87/40/72/1098874072.db2.gz HRVNMGKMBGOVJA-SNVBAGLBSA-N -1 1 346.246 2.547 20 10 EFCDMM CN1CCN(c2ccc(CNc3ccccc3C(=O)[O-])cc2)CC1 ZINC001167431383 1101616552 /nfs/dbraw/zinc/61/65/52/1101616552.db2.gz WVFOQMJDYGDRJY-UHFFFAOYSA-N -1 1 325.412 2.749 20 10 EFCDMM Cn1nc(C(F)(F)F)c(C=C2SC(=S)[N-]C2=O)c1Cl ZINC000782107770 1102080542 /nfs/dbraw/zinc/08/05/42/1102080542.db2.gz NIBGSFGBMPMNAQ-DUXPYHPUSA-N -1 1 327.740 2.581 20 10 EFCDMM CCC(=O)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784148476 1104372739 /nfs/dbraw/zinc/37/27/39/1104372739.db2.gz SQUWHIYVYCFAEK-UHFFFAOYSA-N -1 1 328.320 2.730 20 10 EFCDMM [O-]c1cc(F)c(F)cc1CN1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001142508987 1106040684 /nfs/dbraw/zinc/04/06/84/1106040684.db2.gz RVVLZJNUEQJYNV-NEPJUHHUSA-N -1 1 329.240 2.508 20 10 EFCDMM [O-]c1cc(F)c(F)cc1CN1CCn2ncc(Br)c2C1 ZINC001142534768 1106241789 /nfs/dbraw/zinc/24/17/89/1106241789.db2.gz WAJQUEZLIOSELA-UHFFFAOYSA-N -1 1 344.159 2.645 20 10 EFCDMM C[C@H]1CN(Cc2c([O-])cc(Br)cc2F)CC[C@]1(C)O ZINC001233027510 1107544179 /nfs/dbraw/zinc/54/41/79/1107544179.db2.gz AOMBPOOPSSPMCQ-XPTSAGLGSA-N -1 1 332.213 2.887 20 10 EFCDMM C[C@@]1(CNC(=O)c2c(F)ccc(O)c2[O-])OCCc2sccc21 ZINC000296027972 241071242 /nfs/dbraw/zinc/07/12/42/241071242.db2.gz MGZZKVGSJHWDEQ-INIZCTEOSA-N -1 1 337.372 2.516 20 10 EFCDMM CCOCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277485334 474586973 /nfs/dbraw/zinc/58/69/73/474586973.db2.gz PYXWNXDYYPXMKH-UHFFFAOYSA-N -1 1 345.237 2.771 20 10 EFCDMM CCOCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158085391 472890954 /nfs/dbraw/zinc/89/09/54/472890954.db2.gz RZIRIBBGVAXQIN-HNNXBMFYSA-N -1 1 340.851 2.553 20 10 EFCDMM CCOCC1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000282458051 474073469 /nfs/dbraw/zinc/07/34/69/474073469.db2.gz VKONQKUCEBDDST-UHFFFAOYSA-N -1 1 328.206 2.588 20 10 EFCDMM COc1c([O-])c(CN2CCCC[C@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000289097631 474148599 /nfs/dbraw/zinc/14/85/99/474148599.db2.gz BWZDBOWKULYISC-ZDUSSCGKSA-N -1 1 332.360 2.759 20 10 EFCDMM COCCC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277445329 474586161 /nfs/dbraw/zinc/58/61/61/474586161.db2.gz FVEYVARZVFBAJL-UHFFFAOYSA-N -1 1 342.233 2.978 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000276662312 474568654 /nfs/dbraw/zinc/56/86/54/474568654.db2.gz YFIWRMCYYTWSPQ-CYBMUJFWSA-N -1 1 330.359 2.954 20 10 EFCDMM O=S(=O)(CC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000277462134 474586498 /nfs/dbraw/zinc/58/64/98/474586498.db2.gz IMECKUNNVLOJDG-UHFFFAOYSA-N -1 1 348.262 2.764 20 10 EFCDMM CCC1(C(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000277480108 474587575 /nfs/dbraw/zinc/58/75/75/474587575.db2.gz IQOYRGRQWZSOMZ-UHFFFAOYSA-N -1 1 342.233 2.978 20 10 EFCDMM COC1(CC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277651664 474592091 /nfs/dbraw/zinc/59/20/91/474592091.db2.gz ZAKSACFAYKGOMY-UHFFFAOYSA-N -1 1 328.206 2.730 20 10 EFCDMM CCCCCOCC(=O)NCc1cccc(Br)c1[O-] ZINC000277644811 474592306 /nfs/dbraw/zinc/59/23/06/474592306.db2.gz YGQXXDQURRIMOI-UHFFFAOYSA-N -1 1 330.222 2.978 20 10 EFCDMM C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277659678 474592626 /nfs/dbraw/zinc/59/26/26/474592626.db2.gz ZUTNKHMHACVILJ-CABZTGNLSA-N -1 1 340.217 2.776 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCSC1 ZINC000277735570 474593856 /nfs/dbraw/zinc/59/38/56/474593856.db2.gz LUKNSNRMJKXPMV-JTQLQIEISA-N -1 1 345.262 2.850 20 10 EFCDMM COc1c(O)c(C[N@@H+]2CCS[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219071 474604184 /nfs/dbraw/zinc/60/41/84/474604184.db2.gz LIMWWOANMPKVDT-ZDUSSCGKSA-N -1 1 326.418 2.882 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1[O-] ZINC000267379760 474665049 /nfs/dbraw/zinc/66/50/49/474665049.db2.gz MECLQSQQIVNCFE-VUVYZSTRSA-N -1 1 329.849 2.590 20 10 EFCDMM CC[C@H](C)CONC(=O)NCc1cccc(Br)c1[O-] ZINC000291761653 474674315 /nfs/dbraw/zinc/67/43/15/474674315.db2.gz LNZPDOAXAHCEKB-VIFPVBQESA-N -1 1 331.210 2.932 20 10 EFCDMM O=C(NCCCCCCO)NCc1cccc(Br)c1[O-] ZINC000278805357 474844157 /nfs/dbraw/zinc/84/41/57/474844157.db2.gz YTQWXIKFWJZGLF-UHFFFAOYSA-N -1 1 345.237 2.507 20 10 EFCDMM CN1CCCc2cc(CNC(=O)c3c(F)ccc([O-])c3F)ccc21 ZINC000280707789 475044179 /nfs/dbraw/zinc/04/41/79/475044179.db2.gz FYHDGFOUNMQTES-UHFFFAOYSA-N -1 1 332.350 2.983 20 10 EFCDMM CCCn1ccnc1CCCN(C)C(=O)c1c([O-])c(O)ccc1F ZINC000295073090 475102564 /nfs/dbraw/zinc/10/25/64/475102564.db2.gz ACQDFKGLUMTXQB-UHFFFAOYSA-N -1 1 335.379 2.548 20 10 EFCDMM CC1=C(Br)CN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000295188513 475111694 /nfs/dbraw/zinc/11/16/94/475111694.db2.gz SRDMGJFLBHJGSY-UHFFFAOYSA-N -1 1 330.153 2.752 20 10 EFCDMM CN(CCCOCc1ccccc1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000295220758 475112777 /nfs/dbraw/zinc/11/27/77/475112777.db2.gz XVCLLFUDXALMLO-UHFFFAOYSA-N -1 1 333.359 2.916 20 10 EFCDMM C[C@@H](CCOCc1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295282642 475117789 /nfs/dbraw/zinc/11/77/89/475117789.db2.gz FYJSQTRZLVSMNM-LBPRGKRZSA-N -1 1 333.359 2.962 20 10 EFCDMM COc1ccccc1C1(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295310178 475118674 /nfs/dbraw/zinc/11/86/74/475118674.db2.gz RUCZPHMIVDNJSM-UHFFFAOYSA-N -1 1 331.343 2.707 20 10 EFCDMM Cc1c2ccccc2n(C)c1CNC(=O)c1csc(=NC2CC2)[n-]1 ZINC000352139809 476524765 /nfs/dbraw/zinc/52/47/65/476524765.db2.gz HRNJITGPXGAIQP-UHFFFAOYSA-N -1 1 340.452 2.869 20 10 EFCDMM O=C(Cc1ccco1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000371214999 477181629 /nfs/dbraw/zinc/18/16/29/477181629.db2.gz HNYLUAZHPLJZBJ-OAHLLOKOSA-N -1 1 348.830 2.962 20 10 EFCDMM C[C@H](NCc1nnnn1C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756731646 575782081 /nfs/dbraw/zinc/78/20/81/575782081.db2.gz HMDFQLKDRBZSAM-ZETCQYMHSA-N -1 1 328.203 2.871 20 10 EFCDMM Cc1cccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1 ZINC000761396681 576154555 /nfs/dbraw/zinc/15/45/55/576154555.db2.gz IEBKHUYBFDPZBX-UHFFFAOYSA-N -1 1 345.380 2.789 20 10 EFCDMM O=C(NCCc1ccco1)NCc1cccc(Br)c1[O-] ZINC000764759659 576499085 /nfs/dbraw/zinc/49/90/85/576499085.db2.gz ZLHIYUWIKZIGLZ-UHFFFAOYSA-N -1 1 339.189 2.790 20 10 EFCDMM O=C(NCCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000764792439 576504194 /nfs/dbraw/zinc/50/41/94/576504194.db2.gz UFMFTIWNEWTQBD-UHFFFAOYSA-N -1 1 341.127 2.906 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2cccnn21 ZINC000765726061 577070845 /nfs/dbraw/zinc/07/08/45/577070845.db2.gz FFJLBKIZOSDTJA-UHFFFAOYSA-N -1 1 346.184 2.732 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2ccccn12 ZINC000765731932 577071119 /nfs/dbraw/zinc/07/11/19/577071119.db2.gz MPFJAWVVJDPAJP-UHFFFAOYSA-N -1 1 346.184 2.732 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2[nH]cnc21 ZINC000765730410 577071241 /nfs/dbraw/zinc/07/12/41/577071241.db2.gz UXWHMOVMSHZMFA-UHFFFAOYSA-N -1 1 346.184 2.961 20 10 EFCDMM C[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCC1=O ZINC000765730983 577071249 /nfs/dbraw/zinc/07/12/49/577071249.db2.gz WNBQUIQHCQYVTN-ZJUUUORDSA-N -1 1 340.217 2.776 20 10 EFCDMM Cc1nscc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765767906 577074378 /nfs/dbraw/zinc/07/43/78/577074378.db2.gz FVZMBQQZNZYOPN-UHFFFAOYSA-N -1 1 327.203 2.850 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2nccn2c1 ZINC000765770330 577074705 /nfs/dbraw/zinc/07/47/05/577074705.db2.gz OISPGPAYNUOPTR-UHFFFAOYSA-N -1 1 346.184 2.732 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2nccn21 ZINC000765771002 577074793 /nfs/dbraw/zinc/07/47/93/577074793.db2.gz VBUXLGIILHHFEJ-UHFFFAOYSA-N -1 1 346.184 2.732 20 10 EFCDMM O=c1[nH]c2ccccc2c(=O)n1Cc1cccc(Br)c1[O-] ZINC000765983745 577095308 /nfs/dbraw/zinc/09/53/08/577095308.db2.gz WZFUKJPNKXASCH-UHFFFAOYSA-N -1 1 347.168 2.619 20 10 EFCDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000766047477 577101332 /nfs/dbraw/zinc/10/13/32/577101332.db2.gz JUPCTCHLBFFNTM-UHFFFAOYSA-N -1 1 335.381 2.542 20 10 EFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccs1 ZINC000766201404 577120477 /nfs/dbraw/zinc/12/04/77/577120477.db2.gz SPNCJOWMJLCMRK-UHFFFAOYSA-N -1 1 348.243 2.695 20 10 EFCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])ns1 ZINC000768302036 577265033 /nfs/dbraw/zinc/26/50/33/577265033.db2.gz GPTFBAAJNHXWAX-UHFFFAOYSA-N -1 1 327.203 2.850 20 10 EFCDMM COc1cc(Br)cc(C[N@@H+]2CCCOC[C@H]2C)c1O ZINC000769458434 577363381 /nfs/dbraw/zinc/36/33/81/577363381.db2.gz UQYBWANWEYEAID-SNVBAGLBSA-N -1 1 330.222 2.774 20 10 EFCDMM CCC[N@@H+](CC(=O)[O-])Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000737014357 599853226 /nfs/dbraw/zinc/85/32/26/599853226.db2.gz GZBXUGDCJXFIGF-UHFFFAOYSA-N -1 1 343.379 2.625 20 10 EFCDMM O=C([O-])[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000738547942 599956795 /nfs/dbraw/zinc/95/67/95/599956795.db2.gz FRVZUEMXUXZQTB-KRWDZBQOSA-N -1 1 327.336 2.577 20 10 EFCDMM CN(CC(=O)NC(C)(C)C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737393360 600413151 /nfs/dbraw/zinc/41/31/51/600413151.db2.gz MUHNUHUVCATCMI-UHFFFAOYSA-N -1 1 344.411 2.590 20 10 EFCDMM CC(=O)c1cc(F)cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1O ZINC000825946590 601147183 /nfs/dbraw/zinc/14/71/83/601147183.db2.gz GEOQWSKOVLXPQW-KRWDZBQOSA-N -1 1 343.354 2.745 20 10 EFCDMM O=C([O-])C[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000833220202 601374520 /nfs/dbraw/zinc/37/45/20/601374520.db2.gz VNGJRCBKJPAWSV-LBPRGKRZSA-N -1 1 345.395 2.693 20 10 EFCDMM O=C([O-])C[C@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000833220202 601374523 /nfs/dbraw/zinc/37/45/23/601374523.db2.gz VNGJRCBKJPAWSV-LBPRGKRZSA-N -1 1 345.395 2.693 20 10 EFCDMM O=C([O-])C[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000833220202 601374526 /nfs/dbraw/zinc/37/45/26/601374526.db2.gz VNGJRCBKJPAWSV-LBPRGKRZSA-N -1 1 345.395 2.693 20 10 EFCDMM O=C([O-])C[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000833220202 601374528 /nfs/dbraw/zinc/37/45/28/601374528.db2.gz VNGJRCBKJPAWSV-LBPRGKRZSA-N -1 1 345.395 2.693 20 10 EFCDMM O=C([O-])C[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000833220201 601374633 /nfs/dbraw/zinc/37/46/33/601374633.db2.gz VNGJRCBKJPAWSV-GFCCVEGCSA-N -1 1 345.395 2.693 20 10 EFCDMM O=C([O-])C[C@@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000833220201 601374635 /nfs/dbraw/zinc/37/46/35/601374635.db2.gz VNGJRCBKJPAWSV-GFCCVEGCSA-N -1 1 345.395 2.693 20 10 EFCDMM O=C([O-])C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000833220201 601374636 /nfs/dbraw/zinc/37/46/36/601374636.db2.gz VNGJRCBKJPAWSV-GFCCVEGCSA-N -1 1 345.395 2.693 20 10 EFCDMM O=C([O-])C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000833220201 601374638 /nfs/dbraw/zinc/37/46/38/601374638.db2.gz VNGJRCBKJPAWSV-GFCCVEGCSA-N -1 1 345.395 2.693 20 10 EFCDMM O=C([O-])[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000405367061 604646468 /nfs/dbraw/zinc/64/64/68/604646468.db2.gz VRKAUULDPWAOSB-LBPRGKRZSA-N -1 1 340.217 2.841 20 10 EFCDMM Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000850044366 1250242126 /nfs/dbraw/zinc/24/21/26/1250242126.db2.gz KSSWKGTUWDOMQW-LSDHHAIUSA-N -1 1 326.348 2.936 20 10 EFCDMM CCn1cc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])nn1 ZINC000850522101 1250520520 /nfs/dbraw/zinc/52/05/20/1250520520.db2.gz CABDJEFRGKPFTN-MRVPVSSYSA-N -1 1 343.200 2.756 20 10 EFCDMM CC(C)N(CC(N)=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708140223 1259679175 /nfs/dbraw/zinc/67/91/75/1259679175.db2.gz JLOKTNHSQMSEEZ-UHFFFAOYSA-N -1 1 335.629 2.504 20 10 EFCDMM C[C@H]1C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCCO1 ZINC000738163560 1268385980 /nfs/dbraw/zinc/38/59/80/1268385980.db2.gz ZKVHNPYAIBXHFW-AWEZNQCLSA-N -1 1 341.407 2.940 20 10 EFCDMM C[C@H]1C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCCO1 ZINC000738163560 1268385991 /nfs/dbraw/zinc/38/59/91/1268385991.db2.gz ZKVHNPYAIBXHFW-AWEZNQCLSA-N -1 1 341.407 2.940 20 10 EFCDMM CC(C)(C)c1cnc(NCC(=O)c2ccc([O-])c(O)c2)c([N+](=O)[O-])c1 ZINC001170316210 1279009023 /nfs/dbraw/zinc/00/90/23/1279009023.db2.gz CGVYABNRENTHNX-UHFFFAOYSA-N -1 1 345.355 2.993 20 10 EFCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(-c2cccnc2)n1 ZINC001170315817 1279009119 /nfs/dbraw/zinc/00/91/19/1279009119.db2.gz GRWJGMPPOYZWAI-UHFFFAOYSA-N -1 1 336.351 2.553 20 10 EFCDMM COC(=O)c1cc2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2[nH]1 ZINC001170314973 1279009139 /nfs/dbraw/zinc/00/91/39/1279009139.db2.gz NKSJWWWAXNCNDQ-UHFFFAOYSA-N -1 1 340.335 2.661 20 10 EFCDMM COC(=O)c1cc2[nH]ccc2cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314754 1279009663 /nfs/dbraw/zinc/00/96/63/1279009663.db2.gz HIRCIRBMQWHQTI-UHFFFAOYSA-N -1 1 340.335 2.661 20 10 EFCDMM Cc1cc(C(F)(F)F)c(NCC(=O)c2ccc([O-])c(O)c2)nn1 ZINC001170315596 1279009798 /nfs/dbraw/zinc/00/97/98/1279009798.db2.gz AZWFWXXTEFRVDU-UHFFFAOYSA-N -1 1 327.262 2.510 20 10 EFCDMM O=C(CNc1ccc(OC(F)(F)F)cn1)c1ccc([O-])c(O)c1 ZINC001170315112 1279009983 /nfs/dbraw/zinc/00/99/83/1279009983.db2.gz PPUUWCFOJLZMCI-UHFFFAOYSA-N -1 1 328.246 2.686 20 10 EFCDMM Cc1cc(C(=O)OC(C)C)cnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316911 1279012462 /nfs/dbraw/zinc/01/24/62/1279012462.db2.gz UZCVAFNQGMGVLB-UHFFFAOYSA-N -1 1 344.367 2.661 20 10 EFCDMM O=C(CNc1ccc(OC(F)(F)F)nc1)c1ccc([O-])c(O)c1 ZINC001170321636 1279014862 /nfs/dbraw/zinc/01/48/62/1279014862.db2.gz AXQUHCNFKCIANE-UHFFFAOYSA-N -1 1 328.246 2.686 20 10 EFCDMM CC(=O)c1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1C ZINC000789139884 1276530782 /nfs/dbraw/zinc/53/07/82/1276530782.db2.gz ZNGTUEUYCBVEFQ-UHFFFAOYSA-N -1 1 328.320 2.649 20 10 EFCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000819589961 1276833795 /nfs/dbraw/zinc/83/37/95/1276833795.db2.gz UYELRJMWMSXHJG-ZDUSSCGKSA-N -1 1 344.386 2.796 20 10 EFCDMM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC000789955599 1277115262 /nfs/dbraw/zinc/11/52/62/1277115262.db2.gz XGABXEZSMALQBF-SECBINFHSA-N -1 1 332.331 2.686 20 10 EFCDMM CCC1(CC)[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H](C)[C@H]1OC ZINC000789994326 1277154442 /nfs/dbraw/zinc/15/44/42/1277154442.db2.gz CGGKFEFYZOSMKP-DFKRKDTASA-N -1 1 325.380 2.806 20 10 EFCDMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000790074610 1277210476 /nfs/dbraw/zinc/21/04/76/1277210476.db2.gz DWHRBNALQRQAPO-LKFCYVNXSA-N -1 1 337.322 2.618 20 10 EFCDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1 ZINC000790415494 1277527977 /nfs/dbraw/zinc/52/79/77/1277527977.db2.gz HDIGVYHBKFJTPV-UHFFFAOYSA-N -1 1 349.408 2.932 20 10 EFCDMM O=C(COC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccc([O-])c(O)c1 ZINC000792645017 1279046083 /nfs/dbraw/zinc/04/60/83/1279046083.db2.gz KBUJJDORKAPRHH-AWEZNQCLSA-N -1 1 340.331 2.584 20 10 EFCDMM O=C(Cc1ccc(C2CC2)cc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144723851 1280053479 /nfs/dbraw/zinc/05/34/79/1280053479.db2.gz HSQXFMJPBXHZAO-UHFFFAOYSA-N -1 1 325.364 2.517 20 10 EFCDMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1ccccc1C ZINC000805609551 1280670407 /nfs/dbraw/zinc/67/04/07/1280670407.db2.gz STYDEELWGZSVRV-UHFFFAOYSA-N -1 1 338.367 2.560 20 10 EFCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000839851794 1281232506 /nfs/dbraw/zinc/23/25/06/1281232506.db2.gz BPIVCHUYLMMOIM-CYBMUJFWSA-N -1 1 344.386 2.583 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccnc1F ZINC000807417340 1281317451 /nfs/dbraw/zinc/31/74/51/1281317451.db2.gz XCJWYVZBMPEOAQ-UHFFFAOYSA-N -1 1 325.137 2.619 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C\c1cn2ccc(Br)cc2n1 ZINC000811684998 1284512429 /nfs/dbraw/zinc/51/24/29/1284512429.db2.gz GWBJPUGDUMXTLX-YWEYNIOJSA-N -1 1 340.227 2.586 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C/c1cn2ccc(Br)cc2n1 ZINC000811684997 1284512869 /nfs/dbraw/zinc/51/28/69/1284512869.db2.gz GWBJPUGDUMXTLX-XBXARRHUSA-N -1 1 340.227 2.586 20 10 EFCDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(O)cc1OC(C)C ZINC000817356859 1288548306 /nfs/dbraw/zinc/54/83/06/1288548306.db2.gz WLCKPMZBPBGUNW-CQSZACIVSA-N -1 1 345.461 2.982 20 10 EFCDMM C[C@H]1CSC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000805789986 1289011568 /nfs/dbraw/zinc/01/15/68/1289011568.db2.gz PIFHEESSYOCCKQ-GZMMTYOYSA-N -1 1 345.262 2.705 20 10 EFCDMM CN(C)C(=O)O[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000824576279 1289704876 /nfs/dbraw/zinc/70/48/76/1289704876.db2.gz HFZJFHRUZRZWPI-LLVKDONJSA-N -1 1 333.215 2.972 20 10 EFCDMM O=C(CCCCCCCCCO)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181415838 1289787301 /nfs/dbraw/zinc/78/73/01/1289787301.db2.gz KSOURQQSOWQLTO-UHFFFAOYSA-N -1 1 337.416 2.510 20 10 EFCDMM Cc1ccccc1C(C)(C)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182468048 1290199466 /nfs/dbraw/zinc/19/94/66/1290199466.db2.gz KENXYFHRXYYVOB-UHFFFAOYSA-N -1 1 327.380 2.683 20 10 EFCDMM C[C@@H]1CC[C@H](CO)CN1Cc1c([O-])cc(Br)cc1F ZINC001233028264 1312836716 /nfs/dbraw/zinc/83/67/16/1312836716.db2.gz LMAIGKYFFJHGAQ-ZJUUUORDSA-N -1 1 332.213 2.887 20 10 EFCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@H](CCO)C1 ZINC001233031515 1312837100 /nfs/dbraw/zinc/83/71/00/1312837100.db2.gz FHUCSYUQQXTBQF-JTQLQIEISA-N -1 1 332.213 2.888 20 10 EFCDMM COC(=O)C[C@@H]1CCCN1Cc1c([O-])cc(Br)cc1F ZINC001233032321 1312837219 /nfs/dbraw/zinc/83/72/19/1312837219.db2.gz ZSSFXHAKFISHMA-JTQLQIEISA-N -1 1 346.196 2.821 20 10 EFCDMM CO[C@H](C)C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000795749059 1291344888 /nfs/dbraw/zinc/34/48/88/1291344888.db2.gz DZSJBGAREPQCGX-CYBMUJFWSA-N -1 1 329.396 2.796 20 10 EFCDMM CO[C@H](C)C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000795749059 1291344896 /nfs/dbraw/zinc/34/48/96/1291344896.db2.gz DZSJBGAREPQCGX-CYBMUJFWSA-N -1 1 329.396 2.796 20 10 EFCDMM COC(=O)CCN(Cc1ccco1)Cc1ccc(F)c(F)c1[O-] ZINC001233077136 1312849951 /nfs/dbraw/zinc/84/99/51/1312849951.db2.gz GFSBOJDPYCWBMB-UHFFFAOYSA-N -1 1 325.311 2.829 20 10 EFCDMM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233078881 1312850574 /nfs/dbraw/zinc/85/05/74/1312850574.db2.gz MRLBMYAZPJXYJP-WCQYABFASA-N -1 1 340.370 2.722 20 10 EFCDMM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cccc(O)c1O ZINC001189104352 1291587847 /nfs/dbraw/zinc/58/78/47/1291587847.db2.gz REQHRGYIJHSYFQ-UHFFFAOYSA-N -1 1 327.789 2.736 20 10 EFCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2F)[C@H]2C[C@H]21 ZINC001233332271 1312905148 /nfs/dbraw/zinc/90/51/48/1312905148.db2.gz FPQHROFGSVALCB-QWHCGFSZSA-N -1 1 340.370 2.864 20 10 EFCDMM CC(C)(C)OC(=O)NCC1CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332303 1312905289 /nfs/dbraw/zinc/90/52/89/1312905289.db2.gz GPVQMFPEROXZLY-UHFFFAOYSA-N -1 1 328.359 2.627 20 10 EFCDMM CCOCc1ncn2c1CN(Cc1c([O-])ccc(F)c1F)CCC2 ZINC001233333669 1312905790 /nfs/dbraw/zinc/90/57/90/1312905790.db2.gz DKEPIVXIQDTNLA-UHFFFAOYSA-N -1 1 337.370 2.809 20 10 EFCDMM CCOc1cccc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)n1 ZINC001233335400 1312906114 /nfs/dbraw/zinc/90/61/14/1312906114.db2.gz SXNQNRSRBLWVCD-UHFFFAOYSA-N -1 1 349.381 2.786 20 10 EFCDMM [O-]c1c(CN2C[C@@H](CO)CC(F)(F)C2)cccc1C(F)(F)F ZINC001233415630 1312927789 /nfs/dbraw/zinc/92/77/89/1312927789.db2.gz CZONCONJGFNTCO-VIFPVBQESA-N -1 1 325.277 2.861 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C(=O)OC)C(F)(F)F ZINC001233494493 1312942796 /nfs/dbraw/zinc/94/27/96/1312942796.db2.gz CKOAGLKQYDYCJK-LBPRGKRZSA-N -1 1 336.262 2.563 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCc2cc3c(cc2C1)OCO3 ZINC001193218599 1293199640 /nfs/dbraw/zinc/19/96/40/1293199640.db2.gz BPRLZLQYZYWHPS-UHFFFAOYSA-N -1 1 347.754 2.678 20 10 EFCDMM O=C(Nc1cc(Cl)nc2ccnn21)c1ccc(O)c([O-])c1Cl ZINC001193218538 1293200012 /nfs/dbraw/zinc/20/00/12/1293200012.db2.gz BBVSRBWFKHLNCY-UHFFFAOYSA-N -1 1 339.138 2.700 20 10 EFCDMM O=C(Nc1ccnn1CC(F)(F)F)c1ccc(O)c([O-])c1Cl ZINC001193219963 1293200098 /nfs/dbraw/zinc/20/00/98/1293200098.db2.gz OHVGOCFOYNVPSN-UHFFFAOYSA-N -1 1 335.669 2.762 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001193232787 1293205409 /nfs/dbraw/zinc/20/54/09/1293205409.db2.gz ORAMSQYBERLSFZ-ZDUSSCGKSA-N -1 1 347.798 2.835 20 10 EFCDMM CC1(C)CC(NC(=O)c2ccc(O)c([O-])c2Cl)CC(C)(C)N1O ZINC001193237049 1293209260 /nfs/dbraw/zinc/20/92/60/1293209260.db2.gz VOQVSKCQPARPFK-UHFFFAOYSA-N -1 1 342.823 2.892 20 10 EFCDMM Cn1cc2cccc(CNC(=O)c3ccc(O)c([O-])c3Cl)c2n1 ZINC001193236674 1293209639 /nfs/dbraw/zinc/20/96/39/1293209639.db2.gz MLUDPDPIKUVRIK-UHFFFAOYSA-N -1 1 331.759 2.568 20 10 EFCDMM Cc1ccc(C2(NC(=O)c3ccc(O)c([O-])c3Cl)COC2)cc1 ZINC001193237171 1293210690 /nfs/dbraw/zinc/21/06/90/1293210690.db2.gz ZHGBJNYIIZYNJO-UHFFFAOYSA-N -1 1 333.771 2.715 20 10 EFCDMM Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(O)c([O-])c2Cl)no1 ZINC001193225480 1293222176 /nfs/dbraw/zinc/22/21/76/1293222176.db2.gz NNIAJHQFZGAEJZ-JTQLQIEISA-N -1 1 337.763 2.810 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@H]1Cc1ccccn1 ZINC001193225060 1293223190 /nfs/dbraw/zinc/22/31/90/1293223190.db2.gz HAMJVFHMUXEZOU-LBPRGKRZSA-N -1 1 332.787 2.994 20 10 EFCDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(Cl)c1 ZINC001193307670 1293248202 /nfs/dbraw/zinc/24/82/02/1293248202.db2.gz IXVBJXQYARXKJM-UHFFFAOYSA-N -1 1 340.788 2.805 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C=CCC1 ZINC000883781193 1293712176 /nfs/dbraw/zinc/71/21/76/1293712176.db2.gz GDSYISDJFGEZJC-SNVBAGLBSA-N -1 1 325.206 2.920 20 10 EFCDMM Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nc2ccccc12 ZINC001198602247 1295139460 /nfs/dbraw/zinc/13/94/60/1295139460.db2.gz HKQRTVXNYNRLKJ-UHFFFAOYSA-N -1 1 336.347 2.567 20 10 EFCDMM Cc1cc(C)cc(NC(=S)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001201213387 1296635546 /nfs/dbraw/zinc/63/55/46/1296635546.db2.gz DRIPVVBCNUCIGG-UHFFFAOYSA-N -1 1 330.409 2.884 20 10 EFCDMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@H](C)c1ccccc1O ZINC001201767114 1297063269 /nfs/dbraw/zinc/06/32/69/1297063269.db2.gz NFQZUMYKWVQZJG-SSDOTTSWSA-N -1 1 332.834 2.850 20 10 EFCDMM CCC(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC001236674295 1313507608 /nfs/dbraw/zinc/50/76/08/1313507608.db2.gz XSQYKGAXRHISPB-UHFFFAOYSA-N -1 1 341.249 2.517 20 10 EFCDMM COC(=O)CC[C@@H]1COCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236801592 1313531236 /nfs/dbraw/zinc/53/12/36/1313531236.db2.gz DETIZVRSGJOCRD-LLVKDONJSA-N -1 1 348.226 2.853 20 10 EFCDMM COc1cc([O-])c(CN2CC(NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001236797441 1313531557 /nfs/dbraw/zinc/53/15/57/1313531557.db2.gz FCESTMBQJZONDF-UHFFFAOYSA-N -1 1 342.823 2.763 20 10 EFCDMM O=C1NC[C@]2(CCCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)O1 ZINC001236800167 1313531591 /nfs/dbraw/zinc/53/15/91/1313531591.db2.gz UOBRBGGPYWTSBS-AWEZNQCLSA-N -1 1 331.199 2.773 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001237078870 1313582984 /nfs/dbraw/zinc/58/29/84/1313582984.db2.gz ZAEIETXKBSNEKF-MRCXROJRSA-N -1 1 332.227 2.671 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1Cc2ccnn2CC[C@H]1CO ZINC001237087003 1313583711 /nfs/dbraw/zinc/58/37/11/1313583711.db2.gz RJPCKQUUDJYNKQ-NSHDSACASA-N -1 1 342.226 2.662 20 10 EFCDMM CS(=O)(=O)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084602 1313583878 /nfs/dbraw/zinc/58/38/78/1313583878.db2.gz LSNAMOBAOIHLSY-SECBINFHSA-N -1 1 338.256 2.708 20 10 EFCDMM CCOC(=O)[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CCC1=O ZINC001237123334 1313590325 /nfs/dbraw/zinc/59/03/25/1313590325.db2.gz CQTVWZNBVAJWJH-JTQLQIEISA-N -1 1 343.782 2.529 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN[C@@H](CCO)C(F)(F)F)c1[O-] ZINC000852084416 1299542761 /nfs/dbraw/zinc/54/27/61/1299542761.db2.gz MUXKYPUWSHISCK-NSHDSACASA-N -1 1 325.714 2.651 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN[C@H](CCO)C(F)(F)F)c1[O-] ZINC000852084415 1299542960 /nfs/dbraw/zinc/54/29/60/1299542960.db2.gz MUXKYPUWSHISCK-LLVKDONJSA-N -1 1 325.714 2.651 20 10 EFCDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000854243995 1300483944 /nfs/dbraw/zinc/48/39/44/1300483944.db2.gz KRXRDMAALYVFBW-UHFFFAOYSA-N -1 1 330.768 2.887 20 10 EFCDMM CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001276537535 1313703195 /nfs/dbraw/zinc/70/31/95/1313703195.db2.gz JDKXSOFUNUHGFF-IXDOHACOSA-N -1 1 342.414 2.839 20 10 EFCDMM CN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001237798830 1313708250 /nfs/dbraw/zinc/70/82/50/1313708250.db2.gz CVDUBFUCBGOZNH-MRXNPFEDSA-N -1 1 326.799 2.772 20 10 EFCDMM [O-]c1c(I)cccc1CN1CC2(CSC2)C1 ZINC001237788530 1313705831 /nfs/dbraw/zinc/70/58/31/1313705831.db2.gz MWPBNHJIUZTYIS-UHFFFAOYSA-N -1 1 347.221 2.546 20 10 EFCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC001237807778 1313710869 /nfs/dbraw/zinc/71/08/69/1313710869.db2.gz LXSVJTLRBSPISD-LBPRGKRZSA-N -1 1 327.705 2.931 20 10 EFCDMM COC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2cn(C)nc21 ZINC001237939133 1313733564 /nfs/dbraw/zinc/73/35/64/1313733564.db2.gz TUMGKENKUXDEOA-GFCCVEGCSA-N -1 1 339.798 2.664 20 10 EFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(Cc2ccncc2)CC1 ZINC001237936737 1313733922 /nfs/dbraw/zinc/73/39/22/1313733922.db2.gz MBCJQJDSBSFKRY-UHFFFAOYSA-N -1 1 335.810 2.898 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000901703189 1310907114 /nfs/dbraw/zinc/90/71/14/1310907114.db2.gz DBQUMEWSXYBKCZ-UHFFFAOYSA-N -1 1 349.408 2.915 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000901703962 1310908878 /nfs/dbraw/zinc/90/88/78/1310908878.db2.gz NMKAXSKCFZJIKR-UHFFFAOYSA-N -1 1 337.397 2.827 20 10 EFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000901704360 1310910697 /nfs/dbraw/zinc/91/06/97/1310910697.db2.gz RQRVBDIDQNKHGG-UHFFFAOYSA-N -1 1 337.397 2.989 20 10 EFCDMM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(F)c1Cl ZINC001276838220 1311180656 /nfs/dbraw/zinc/18/06/56/1311180656.db2.gz XHQFMGMHOWWEAQ-PHIMTYICSA-N -1 1 341.814 2.561 20 10 EFCDMM [O-]c1ccc(F)c(Cl)c1CN1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001276837169 1311182082 /nfs/dbraw/zinc/18/20/82/1311182082.db2.gz HIKKCJQNZFGVEM-UHFFFAOYSA-N -1 1 335.810 2.973 20 10 EFCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(-c2ccccn2)n1 ZINC001159279232 1311484374 /nfs/dbraw/zinc/48/43/74/1311484374.db2.gz NEQMEQRYODOTGA-UHFFFAOYSA-N -1 1 336.351 2.553 20 10 EFCDMM O=C(CNc1nnc(Cl)c2c1CCCC2)c1ccc([O-])c(O)c1 ZINC001159276057 1311484493 /nfs/dbraw/zinc/48/44/93/1311484493.db2.gz DGIXITNNEPWZHY-UHFFFAOYSA-N -1 1 333.775 2.715 20 10 EFCDMM O=C(CNc1ncc2c(Cl)cccc2n1)c1ccc([O-])c(O)c1 ZINC001159279251 1311484834 /nfs/dbraw/zinc/48/48/34/1311484834.db2.gz NZVAMGZIMUSRBS-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1nc2c(nc1Cl)CCCC2)c1ccc([O-])c(O)c1 ZINC001159280488 1311485260 /nfs/dbraw/zinc/48/52/60/1311485260.db2.gz TXXULQHSLKVZAO-UHFFFAOYSA-N -1 1 333.775 2.715 20 10 EFCDMM CO[C@H](C)CCOc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227581375 1311824490 /nfs/dbraw/zinc/82/44/90/1311824490.db2.gz ZWCYSIZZOIXNNH-LLVKDONJSA-N -1 1 326.348 2.971 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1CCn2ccnc21 ZINC001227581104 1311824623 /nfs/dbraw/zinc/82/46/23/1311824623.db2.gz WYGIHLDGGSQIMQ-OAHLLOKOSA-N -1 1 346.342 2.888 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1CCOC[C@H]1F ZINC001228111567 1311900538 /nfs/dbraw/zinc/90/05/38/1311900538.db2.gz VSCPQMLGRIXMSV-UKRRQHHQSA-N -1 1 348.326 2.540 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1CCCOC1 ZINC001228111635 1311900946 /nfs/dbraw/zinc/90/09/46/1311900946.db2.gz WODRMEIHGJHMBY-CYBMUJFWSA-N -1 1 330.336 2.592 20 10 EFCDMM CC[C@@H](COC)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197418 1312060239 /nfs/dbraw/zinc/06/02/39/1312060239.db2.gz OTYRIVQLGCWKGS-JTQLQIEISA-N -1 1 342.347 2.677 20 10 EFCDMM CC(C)OCCOc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196873 1312060427 /nfs/dbraw/zinc/06/04/27/1312060427.db2.gz JIOSRJYAXJVMRU-UHFFFAOYSA-N -1 1 342.347 2.677 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CC3(CCN3Cc3ccccc3)C2)c1 ZINC001231563970 1312525599 /nfs/dbraw/zinc/52/55/99/1312525599.db2.gz HHMOSDDAZAIPKN-UHFFFAOYSA-N -1 1 338.407 2.551 20 10 EFCDMM CN(C)c1ccc(CN(C)Cc2ccccc2OCC(=O)[O-])cc1 ZINC001231794139 1312567355 /nfs/dbraw/zinc/56/73/55/1312567355.db2.gz VOPFZDZSEJQPOF-UHFFFAOYSA-N -1 1 328.412 2.848 20 10 EFCDMM COC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231881665 1312580141 /nfs/dbraw/zinc/58/01/41/1312580141.db2.gz ADVSCQKDZVJKHV-INIZCTEOSA-N -1 1 329.396 2.699 20 10 EFCDMM CCOC[C@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cn(C)nc21 ZINC001231909878 1312586582 /nfs/dbraw/zinc/58/65/82/1312586582.db2.gz GVCQJMVXVZVYED-CQSZACIVSA-N -1 1 335.835 2.915 20 10 EFCDMM [O-]c1c(Cl)cccc1CN1CCN(c2nccc(Cl)n2)CC1 ZINC001231912291 1312587685 /nfs/dbraw/zinc/58/76/85/1312587685.db2.gz CBQMURQPQTYPPZ-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM C[C@@H](NC(=S)NCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC001245551090 1314506417 /nfs/dbraw/zinc/50/64/17/1314506417.db2.gz XCIJLCGWZWZRPB-LLVKDONJSA-N -1 1 330.409 2.506 20 10 EFCDMM CCc1ccc(NC(=S)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001247353653 1314775504 /nfs/dbraw/zinc/77/55/04/1314775504.db2.gz DIRILKMJRNHPGK-UHFFFAOYSA-N -1 1 330.409 2.830 20 10 EFCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2N)cc(Cl)c1O ZINC001216087562 1314910115 /nfs/dbraw/zinc/91/01/15/1314910115.db2.gz ROIPXPUPBXJQKY-UHFFFAOYSA-N -1 1 330.768 2.876 20 10 EFCDMM CC(=O)Nc1ccc2nc(-c3cc(O)c([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC001251027768 1315311653 /nfs/dbraw/zinc/31/16/53/1315311653.db2.gz YAUNPOPZAPYDGS-UHFFFAOYSA-N -1 1 328.284 2.508 20 10 EFCDMM C[C@H]1SCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000827650956 1316009599 /nfs/dbraw/zinc/00/95/99/1316009599.db2.gz VUGKYUIKBXTXSO-LDYMZIIASA-N -1 1 345.262 2.848 20 10 EFCDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1O ZINC001259500763 1316252139 /nfs/dbraw/zinc/25/21/39/1316252139.db2.gz DXTQMRCAWBCLHG-UHFFFAOYSA-N -1 1 345.298 2.813 20 10 EFCDMM O=S(=O)(CCc1cccc(F)c1)Nc1cc(F)c([O-])cc1F ZINC001259775089 1316276633 /nfs/dbraw/zinc/27/66/33/1316276633.db2.gz YUCJBKBYNQWVRT-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM O=S(=O)(Nc1cc(F)c([O-])c(F)c1)c1ccc2c(c1)CCC2 ZINC001259861093 1316288266 /nfs/dbraw/zinc/28/82/66/1316288266.db2.gz MCWSIJQUZBZWTB-UHFFFAOYSA-N -1 1 325.336 2.960 20 10 EFCDMM COc1ccc(CS(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001259900747 1316295356 /nfs/dbraw/zinc/29/53/56/1316295356.db2.gz OOJDXGAYNJDTRH-UHFFFAOYSA-N -1 1 329.324 2.621 20 10 EFCDMM O=S(=O)([N-]Cc1cccc(O)c1O)c1cc(F)c(F)cc1Cl ZINC001260288917 1316328895 /nfs/dbraw/zinc/32/88/95/1316328895.db2.gz GZJTZXMQSYOMIR-UHFFFAOYSA-N -1 1 349.742 2.508 20 10 EFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1c(F)cc(F)cc1F ZINC001260354961 1316334178 /nfs/dbraw/zinc/33/41/78/1316334178.db2.gz IFFYDNFIPVAUJM-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM O=S(=O)([N-]c1c(O)cccc1Cl)c1cccc2nsnc21 ZINC001260388169 1316336592 /nfs/dbraw/zinc/33/65/92/1316336592.db2.gz XLNWSXFGSPJGQK-UHFFFAOYSA-N -1 1 341.801 2.851 20 10 EFCDMM Cc1cc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)cc1O ZINC001260388216 1316336743 /nfs/dbraw/zinc/33/67/43/1316336743.db2.gz ZXNRZPRUFGIVJS-UHFFFAOYSA-N -1 1 339.373 2.645 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1C ZINC001260638684 1316352169 /nfs/dbraw/zinc/35/21/69/1316352169.db2.gz XNQJSKWJYDUZEO-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM Cc1ccc(N2CCC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC001261259743 1316399363 /nfs/dbraw/zinc/39/93/63/1316399363.db2.gz QQBDDXLWXGVIGO-CYBMUJFWSA-N -1 1 344.386 2.944 20 10 EFCDMM O=C([O-])[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC001262164619 1316450512 /nfs/dbraw/zinc/45/05/12/1316450512.db2.gz OYBRKYZEXVRFLU-AOOOYVTPSA-N -1 1 328.206 2.888 20 10 EFCDMM Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753778699 1324795285 /nfs/dbraw/zinc/79/52/85/1324795285.db2.gz GXXZPOUYRPYARW-UHFFFAOYSA-N -1 1 339.344 2.647 20 10 EFCDMM Cc1ccc2c(c1)S[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C2 ZINC001320874279 1329312698 /nfs/dbraw/zinc/31/26/98/1329312698.db2.gz ORBXEKSKYXHFQD-QGZVFWFLSA-N -1 1 344.388 2.849 20 10 EFCDMM COC(=O)N1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC001323579798 1329552773 /nfs/dbraw/zinc/55/27/73/1329552773.db2.gz LDCMIRBRKGRVAO-UHFFFAOYSA-N -1 1 340.807 2.522 20 10 EFCDMM CCOc1ccc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC001324660178 1329649179 /nfs/dbraw/zinc/64/91/79/1329649179.db2.gz NQPANQWMDAWPLQ-UHFFFAOYSA-N -1 1 349.358 2.916 20 10 EFCDMM C[C@@H](Cc1cnc[nH]1)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000848079464 1334255478 /nfs/dbraw/zinc/25/54/78/1334255478.db2.gz IDPZXOPONVEEPX-QMMMGPOBSA-N -1 1 328.199 2.917 20 10 EFCDMM COc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2 ZINC000848925797 1334990356 /nfs/dbraw/zinc/99/03/56/1334990356.db2.gz KWXRXRUDHVLOHR-UHFFFAOYSA-N -1 1 330.340 2.833 20 10 EFCDMM CC1(C)C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC001358160269 1335364007 /nfs/dbraw/zinc/36/40/07/1335364007.db2.gz ZNHKZRHQBVGLBE-JTQLQIEISA-N -1 1 342.233 2.976 20 10 EFCDMM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(Cl)ccc1O ZINC000826186300 1429330324 /nfs/dbraw/zinc/33/03/24/1429330324.db2.gz MUQCLLPSXHGZHK-UHFFFAOYSA-N -1 1 331.763 2.846 20 10 EFCDMM COc1ccc(O)c([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737106479 1425012795 /nfs/dbraw/zinc/01/27/95/1425012795.db2.gz UKBRSJQOZJQHGX-MRVPVSSYSA-N -1 1 346.778 2.802 20 10 EFCDMM Cc1c(Cl)cnc(N(C)Cc2ccccc2O)c1-c1nnn[n-]1 ZINC000826237229 1425126620 /nfs/dbraw/zinc/12/66/20/1425126620.db2.gz SOTHLCRHUXRZCI-UHFFFAOYSA-N -1 1 330.779 2.566 20 10 EFCDMM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)C)cc1 ZINC000824019673 1425373218 /nfs/dbraw/zinc/37/32/18/1425373218.db2.gz KDOXSMFJIWLHGC-UHFFFAOYSA-N -1 1 336.399 2.747 20 10 EFCDMM Cc1cc(C(=O)NCc2nnn[n-]2)c(C)n1-c1cccc(C(C)C)c1 ZINC000732157872 1425398561 /nfs/dbraw/zinc/39/85/61/1425398561.db2.gz JSEKIPVAVGLNNV-UHFFFAOYSA-N -1 1 338.415 2.661 20 10 EFCDMM CCN(CC)c1ccc(CNc2cnccc2-c2nnn[n-]2)cc1F ZINC000825417678 1425757091 /nfs/dbraw/zinc/75/70/91/1425757091.db2.gz SPLULGDGGJGFHB-UHFFFAOYSA-N -1 1 341.394 2.859 20 10 EFCDMM c1csc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000738453035 1425995999 /nfs/dbraw/zinc/99/59/99/1425995999.db2.gz UDYRJIZXWMXRGY-UHFFFAOYSA-N -1 1 343.397 2.666 20 10 EFCDMM COc1cccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1O ZINC000826216427 1426570479 /nfs/dbraw/zinc/57/04/79/1426570479.db2.gz XZHCJSPEJGAMRO-UHFFFAOYSA-N -1 1 346.778 2.550 20 10 EFCDMM C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824618317 1427620760 /nfs/dbraw/zinc/62/07/60/1427620760.db2.gz OGQZQBQPHBUUDL-GFCCVEGCSA-N -1 1 340.406 2.923 20 10 EFCDMM C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824618317 1427620763 /nfs/dbraw/zinc/62/07/63/1427620763.db2.gz OGQZQBQPHBUUDL-GFCCVEGCSA-N -1 1 340.406 2.923 20 10 EFCDMM CN(C(=O)C=Cc1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825812616 1443211446 /nfs/dbraw/zinc/21/14/46/1443211446.db2.gz ORJTYTVZASUDRR-SOFGYWHQSA-N -1 1 340.774 2.591 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2OC)cc1F ZINC000826209164 1446236790 /nfs/dbraw/zinc/23/67/90/1446236790.db2.gz PIBCKFZQLPHAGZ-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM Cc1cc(C(=O)NC(C)(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737234845 1446731391 /nfs/dbraw/zinc/73/13/91/1446731391.db2.gz RQNLIKUVQBEUDV-UHFFFAOYSA-N -1 1 338.415 2.803 20 10 EFCDMM Cc1cc(C(=O)Nc2cnoc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238469 1446952484 /nfs/dbraw/zinc/95/24/84/1446952484.db2.gz NQXZUZJYXAXVAM-UHFFFAOYSA-N -1 1 349.354 2.515 20 10 EFCDMM COC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177239536 717954343 /nfs/dbraw/zinc/95/43/43/717954343.db2.gz SZIMMSYPIHESDV-CQSZACIVSA-N -1 1 325.792 2.776 20 10 EFCDMM CCN1C(=O)C(C)(C)N[C@@H]1c1cc(C)cc(Br)c1[O-] ZINC000840838316 714655207 /nfs/dbraw/zinc/65/52/07/714655207.db2.gz OAXBKJSPQHZBNK-LBPRGKRZSA-N -1 1 327.222 2.692 20 10 EFCDMM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000065643270 716448510 /nfs/dbraw/zinc/44/85/10/716448510.db2.gz VURVGGAMMSANFQ-NSHDSACASA-N -1 1 346.408 2.528 20 10 EFCDMM COC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893917055 720159514 /nfs/dbraw/zinc/15/95/14/720159514.db2.gz ORGIISRNGYEHQO-SECBINFHSA-N -1 1 346.196 2.679 20 10 EFCDMM O=C(CSc1nncn1-c1ccccc1F)c1ccc([O-])c(O)c1 ZINC000025551841 723217066 /nfs/dbraw/zinc/21/70/66/723217066.db2.gz DZZOYCYANNKMPB-UHFFFAOYSA-N -1 1 345.355 2.793 20 10 EFCDMM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(N(C)C)cc1 ZINC000907493844 726953810 /nfs/dbraw/zinc/95/38/10/726953810.db2.gz VEDJCESLFVRPEZ-LLVKDONJSA-N -1 1 326.400 2.617 20 10 EFCDMM CC[C@H]1CN(CC)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375738 727435782 /nfs/dbraw/zinc/43/57/82/727435782.db2.gz ROKQFLNYLQAAMB-QPBFKRLHSA-N -1 1 333.388 2.613 20 10 EFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccc2n1 ZINC000916591081 727699084 /nfs/dbraw/zinc/69/90/84/727699084.db2.gz ZIVJAFCFPRLDDA-UHFFFAOYSA-N -1 1 337.331 2.994 20 10 EFCDMM O=C(COC(=O)c1nc(Cl)ccc1Cl)c1ccc([O-])c(O)c1 ZINC000916590793 727699103 /nfs/dbraw/zinc/69/91/03/727699103.db2.gz PMHGGEKZESBVKZ-UHFFFAOYSA-N -1 1 342.134 2.839 20 10 EFCDMM CCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000919807393 729090371 /nfs/dbraw/zinc/09/03/71/729090371.db2.gz GISYDJBMCBUGEE-UHFFFAOYSA-N -1 1 334.397 2.578 20 10 EFCDMM CCCc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000920979924 729250445 /nfs/dbraw/zinc/25/04/45/729250445.db2.gz ZPFNILPWRYBZIR-GDNBJRDFSA-N -1 1 345.468 2.834 20 10 EFCDMM C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)[C@H]1C(=O)[O-] ZINC001589334631 953980368 /nfs/dbraw/zinc/98/03/68/953980368.db2.gz QNUCKEGQIKDFCK-TVQRCGJNSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)[C@H]1C(=O)[O-] ZINC001589334631 953980376 /nfs/dbraw/zinc/98/03/76/953980376.db2.gz QNUCKEGQIKDFCK-TVQRCGJNSA-N -1 1 328.206 2.840 20 10 EFCDMM CC[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC001341451554 958003499 /nfs/dbraw/zinc/00/34/99/958003499.db2.gz OUCVVSDFBXIVDQ-SSDOTTSWSA-N -1 1 335.187 2.609 20 10 EFCDMM C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])[C@H]1C(=O)[O-] ZINC001573725091 959892652 /nfs/dbraw/zinc/89/26/52/959892652.db2.gz BFCSBEYKBXRGHP-NOZJJQNGSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])[C@H]1C(=O)[O-] ZINC001573725091 959892663 /nfs/dbraw/zinc/89/26/63/959892663.db2.gz BFCSBEYKBXRGHP-NOZJJQNGSA-N -1 1 328.206 2.840 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000236428610 960583615 /nfs/dbraw/zinc/58/36/15/960583615.db2.gz LUWWPPCLPHNAQI-UHFFFAOYSA-N -1 1 328.206 2.984 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000236428610 960583635 /nfs/dbraw/zinc/58/36/35/960583635.db2.gz LUWWPPCLPHNAQI-UHFFFAOYSA-N -1 1 328.206 2.984 20 10 EFCDMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706674445 969018037 /nfs/dbraw/zinc/01/80/37/969018037.db2.gz ZFLUMEJIKFUCOU-NXEZZACHSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706674445 969018042 /nfs/dbraw/zinc/01/80/42/969018042.db2.gz ZFLUMEJIKFUCOU-NXEZZACHSA-N -1 1 328.206 2.697 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000842935097 969233608 /nfs/dbraw/zinc/23/36/08/969233608.db2.gz INJDSMIYTRONBH-GXSJLCMTSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000842935097 969233614 /nfs/dbraw/zinc/23/36/14/969233614.db2.gz INJDSMIYTRONBH-GXSJLCMTSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000863534747 969310256 /nfs/dbraw/zinc/31/02/56/969310256.db2.gz PZRCFVHDQAOBOW-ZANVPECISA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000863534747 969310266 /nfs/dbraw/zinc/31/02/66/969310266.db2.gz PZRCFVHDQAOBOW-ZANVPECISA-N -1 1 325.792 2.791 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424203 976355032 /nfs/dbraw/zinc/35/50/32/976355032.db2.gz SLXVUZKGIKHJSF-LQJRIPTKSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424203 976355042 /nfs/dbraw/zinc/35/50/42/976355042.db2.gz SLXVUZKGIKHJSF-LQJRIPTKSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715762950 977782036 /nfs/dbraw/zinc/78/20/36/977782036.db2.gz STJMRADCKZTQCF-LLVKDONJSA-N -1 1 332.169 2.733 20 10 EFCDMM CC[C@H](C)[C@@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001594882247 982247935 /nfs/dbraw/zinc/24/79/35/982247935.db2.gz KCBYHIFDWHDBIJ-XHDPSFHLSA-N -1 1 329.824 2.993 20 10 EFCDMM CC[C@H](C)[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001594882247 982247939 /nfs/dbraw/zinc/24/79/39/982247939.db2.gz KCBYHIFDWHDBIJ-XHDPSFHLSA-N -1 1 329.824 2.993 20 10 EFCDMM COc1ccc(O)c([C@H](C)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)c1 ZINC001599597981 993774012 /nfs/dbraw/zinc/77/40/12/993774012.db2.gz CSYWCZVRHILNHJ-JTQLQIEISA-N -1 1 341.367 2.826 20 10 EFCDMM C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1OCC(=O)[O-] ZINC001593304870 994755660 /nfs/dbraw/zinc/75/56/60/994755660.db2.gz UCFMSCXYJDAYDG-ZDUSSCGKSA-N -1 1 327.380 2.936 20 10 EFCDMM COc1ccc(N(C)Cc2csc(-c3nn[n-]n3)c2)cc1OC ZINC001591609017 1093794011 /nfs/dbraw/zinc/79/40/11/1093794011.db2.gz XSPAEGCPRVCZDS-UHFFFAOYSA-N -1 1 331.401 2.582 20 10 EFCDMM [O-]c1c(F)cc(Cl)cc1CNc1n[nH]c(C2CC2)c1-c1nn[nH]n1 ZINC001593539283 1094350574 /nfs/dbraw/zinc/35/05/74/1094350574.db2.gz YCALQPMFASRIEA-UHFFFAOYSA-N -1 1 349.757 2.577 20 10 EFCDMM Oc1ccc(Cl)cc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593540274 1094351911 /nfs/dbraw/zinc/35/19/11/1094351911.db2.gz DBJVSLYUTLRDQY-UHFFFAOYSA-N -1 1 343.199 2.948 20 10 EFCDMM Oc1ccc(Cl)cc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593540274 1094351919 /nfs/dbraw/zinc/35/19/19/1094351919.db2.gz DBJVSLYUTLRDQY-UHFFFAOYSA-N -1 1 343.199 2.948 20 10 EFCDMM Cc1ccc2nc(CN[C@@H](C)c3cc(C(=O)[O-])ccc3O)cn2c1 ZINC001600504134 1095117982 /nfs/dbraw/zinc/11/79/82/1095117982.db2.gz VHNBWJRHARMCTO-LBPRGKRZSA-N -1 1 325.368 2.897 20 10 EFCDMM Cc1cc(C)cc(OCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782676409 1095396444 /nfs/dbraw/zinc/39/64/44/1095396444.db2.gz JCXLJKDRGLMPIC-UHFFFAOYSA-N -1 1 344.363 2.910 20 10 EFCDMM O=C([O-])C1([C@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CCC1 ZINC001601706126 1095852040 /nfs/dbraw/zinc/85/20/40/1095852040.db2.gz MOVLGZSDNQVNGP-KRWDZBQOSA-N -1 1 339.819 2.627 20 10 EFCDMM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001601707921 1095856540 /nfs/dbraw/zinc/85/65/40/1095856540.db2.gz WHKGFABAFAWDEE-LBPRGKRZSA-N -1 1 325.233 2.509 20 10 EFCDMM O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC001601815486 1095917325 /nfs/dbraw/zinc/91/73/25/1095917325.db2.gz BULLKBVJZAOWPC-GFCCVEGCSA-N -1 1 328.206 2.984 20 10 EFCDMM COc1cccc2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)oc21 ZINC000782792946 1095978195 /nfs/dbraw/zinc/97/81/95/1095978195.db2.gz OTKOPSFJFVLYDR-UHFFFAOYSA-N -1 1 342.303 2.892 20 10 EFCDMM O=C([O-])CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCCO1 ZINC001602006492 1096017995 /nfs/dbraw/zinc/01/79/95/1096017995.db2.gz DAQKKYPWNSELFG-SNVBAGLBSA-N -1 1 331.771 2.640 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)C1CCCCC1 ZINC001602057397 1096045246 /nfs/dbraw/zinc/04/52/46/1096045246.db2.gz ZNIFWMJLNSMDAV-INIZCTEOSA-N -1 1 341.835 2.873 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)C1CCCCC1 ZINC001602057397 1096045251 /nfs/dbraw/zinc/04/52/51/1096045251.db2.gz ZNIFWMJLNSMDAV-INIZCTEOSA-N -1 1 341.835 2.873 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)C1CCCCC1 ZINC001602057398 1096045570 /nfs/dbraw/zinc/04/55/70/1096045570.db2.gz ZNIFWMJLNSMDAV-MRXNPFEDSA-N -1 1 341.835 2.873 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)C1CCCCC1 ZINC001602057398 1096045583 /nfs/dbraw/zinc/04/55/83/1096045583.db2.gz ZNIFWMJLNSMDAV-MRXNPFEDSA-N -1 1 341.835 2.873 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC001603102848 1096442097 /nfs/dbraw/zinc/44/20/97/1096442097.db2.gz AWEPDCSPNZLDIF-FVMDXXJSSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC001603102848 1096442100 /nfs/dbraw/zinc/44/21/00/1096442100.db2.gz AWEPDCSPNZLDIF-FVMDXXJSSA-N -1 1 325.792 2.791 20 10 EFCDMM C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603685870 1096589838 /nfs/dbraw/zinc/58/98/38/1096589838.db2.gz KVRFKSWDWXMSGX-QWRGUYRKSA-N -1 1 339.403 2.913 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC001605291262 1097083032 /nfs/dbraw/zinc/08/30/32/1097083032.db2.gz LAXVNSMKIBKHOY-UHFFFAOYSA-N -1 1 331.401 2.582 20 10 EFCDMM COc1ccc(N(C)CCN(C)Cc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001607268523 1097579547 /nfs/dbraw/zinc/57/95/47/1097579547.db2.gz ZJRBQVBVGMFHAC-KHPPLWFESA-N -1 1 344.411 2.954 20 10 EFCDMM COc1cccc(C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])c1 ZINC001607321482 1097600696 /nfs/dbraw/zinc/60/06/96/1097600696.db2.gz IDUKRJBTMUIEGZ-OAHLLOKOSA-N -1 1 335.787 2.840 20 10 EFCDMM Cc1cc([O-])c(C[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1Cl ZINC001607698681 1097702569 /nfs/dbraw/zinc/70/25/69/1097702569.db2.gz CZSDLURSJMLFQN-ZDUSSCGKSA-N -1 1 327.808 2.810 20 10 EFCDMM Cc1cc([O-])c(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1Cl ZINC001607698681 1097702575 /nfs/dbraw/zinc/70/25/75/1097702575.db2.gz CZSDLURSJMLFQN-ZDUSSCGKSA-N -1 1 327.808 2.810 20 10 EFCDMM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001608512954 1097936927 /nfs/dbraw/zinc/93/69/27/1097936927.db2.gz PLPBSMQQXXMJQN-WDEREUQCSA-N -1 1 331.299 2.677 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001608746803 1098008862 /nfs/dbraw/zinc/00/88/62/1098008862.db2.gz MVWNGUMGPIFQJB-HZUKXOBISA-N -1 1 339.819 2.890 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001608746803 1098008868 /nfs/dbraw/zinc/00/88/68/1098008868.db2.gz MVWNGUMGPIFQJB-HZUKXOBISA-N -1 1 339.819 2.890 20 10 EFCDMM O=C([O-])c1cncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC001608980551 1098096865 /nfs/dbraw/zinc/09/68/65/1098096865.db2.gz FVXXUYWMSHQDOO-KRWDZBQOSA-N -1 1 342.395 2.667 20 10 EFCDMM O=C([O-])c1cncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC001608980552 1098096978 /nfs/dbraw/zinc/09/69/78/1098096978.db2.gz FVXXUYWMSHQDOO-QGZVFWFLSA-N -1 1 342.395 2.667 20 10 EFCDMM CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C(=O)[O-])C1 ZINC001610237964 1098586015 /nfs/dbraw/zinc/58/60/15/1098586015.db2.gz ROEPKUKUWWWRTR-PWSUYJOCSA-N -1 1 334.199 2.763 20 10 EFCDMM CCOC[C@H]1CN(Cc2cc(F)c(F)cc2[O-])Cc2ncn(C)c21 ZINC001142512655 1106053144 /nfs/dbraw/zinc/05/31/44/1106053144.db2.gz HLLQRXAPUSAZBD-GFCCVEGCSA-N -1 1 337.370 2.540 20 10 EFCDMM O=C(NC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1)C1CCCC1 ZINC001142520419 1106106801 /nfs/dbraw/zinc/10/68/01/1106106801.db2.gz IZFACKOJIBXKLZ-UHFFFAOYSA-N -1 1 338.398 2.941 20 10 EFCDMM Cc1ccc(C(=O)N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142527184 1106179632 /nfs/dbraw/zinc/17/96/32/1106179632.db2.gz NOKNRAIHCFYPSY-UHFFFAOYSA-N -1 1 346.377 2.937 20 10 EFCDMM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(F)c(F)cc1[O-] ZINC001142527446 1106183963 /nfs/dbraw/zinc/18/39/63/1106183963.db2.gz UZBXCGWMLQWTCH-PKWAYOAASA-N -1 1 325.355 2.834 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000248510646 240291940 /nfs/dbraw/zinc/29/19/40/240291940.db2.gz AJDMOPQRHHCDHQ-UVBJJODRSA-N -1 1 335.375 2.952 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000248510646 240291944 /nfs/dbraw/zinc/29/19/44/240291944.db2.gz AJDMOPQRHHCDHQ-UVBJJODRSA-N -1 1 335.375 2.952 20 10 EFCDMM CC(C)c1nc(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)no1 ZINC000296112265 241074605 /nfs/dbraw/zinc/07/46/05/241074605.db2.gz QMGRBFYTLCLOTA-UHFFFAOYSA-N -1 1 349.362 2.763 20 10 EFCDMM Cc1c2ccccc2n(C)c1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000358627822 242127560 /nfs/dbraw/zinc/12/75/60/242127560.db2.gz CQQNRNXXRPNMEE-UHFFFAOYSA-N -1 1 346.390 2.653 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000280605048 277105626 /nfs/dbraw/zinc/10/56/26/277105626.db2.gz VMROYPUFVKEWLT-GTNSWQLSSA-N -1 1 339.819 2.628 20 10 EFCDMM COc1ccc(N2CCCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000081944517 473276513 /nfs/dbraw/zinc/27/65/13/473276513.db2.gz ZSAZIZNPULIOCM-UHFFFAOYSA-N -1 1 344.386 2.892 20 10 EFCDMM CC(C)CNc1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000023226722 472028526 /nfs/dbraw/zinc/02/85/26/472028526.db2.gz XDVVLVFCTJEMOY-UHFFFAOYSA-N -1 1 339.442 2.992 20 10 EFCDMM CCOCCO[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092067380 472851873 /nfs/dbraw/zinc/85/18/73/472851873.db2.gz DVJWIGFFUNWYDI-ZDUSSCGKSA-N -1 1 344.795 2.581 20 10 EFCDMM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000179671705 473706230 /nfs/dbraw/zinc/70/62/30/473706230.db2.gz XRCWWFLEYWNBED-HNNXBMFYSA-N -1 1 334.803 2.919 20 10 EFCDMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000281438708 473721333 /nfs/dbraw/zinc/72/13/33/473721333.db2.gz BSZZYYRZBFKWGV-VHSXEESVSA-N -1 1 340.217 2.776 20 10 EFCDMM O=S1(=O)CCN(Cc2c([O-])cccc2Cl)Cc2ccccc21 ZINC000274846094 473985146 /nfs/dbraw/zinc/98/51/46/473985146.db2.gz ABSGTVKPWIKCTK-UHFFFAOYSA-N -1 1 337.828 2.835 20 10 EFCDMM COc1ccc(N2CCCN(C(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC000181163436 474010573 /nfs/dbraw/zinc/01/05/73/474010573.db2.gz SSEJWJYXPSWZSS-UHFFFAOYSA-N -1 1 344.386 2.892 20 10 EFCDMM C[N@H+](CC(=O)NC1CC1)Cc1ccc(OCc2ccccc2)cc1O ZINC000182960720 474296386 /nfs/dbraw/zinc/29/63/86/474296386.db2.gz OEZXKEZIAHRHAN-UHFFFAOYSA-N -1 1 340.423 2.682 20 10 EFCDMM CO[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000277374032 474582965 /nfs/dbraw/zinc/58/29/65/474582965.db2.gz HTMBMRUEABQQKG-LBPRGKRZSA-N -1 1 345.237 2.625 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000276554546 474566413 /nfs/dbraw/zinc/56/64/13/474566413.db2.gz IDXDQBLAFPZYEK-AWEZNQCLSA-N -1 1 345.370 2.916 20 10 EFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000276799215 474571543 /nfs/dbraw/zinc/57/15/43/474571543.db2.gz DMDGFZBHBVYFDL-NSHDSACASA-N -1 1 349.408 2.915 20 10 EFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000276946504 474574448 /nfs/dbraw/zinc/57/44/48/474574448.db2.gz SMYLBAXNHSFSNR-UHFFFAOYSA-N -1 1 337.397 2.909 20 10 EFCDMM CC(C)n1cc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000277589078 474590145 /nfs/dbraw/zinc/59/01/45/474590145.db2.gz SHMCXKAJQGBPKC-UHFFFAOYSA-N -1 1 338.205 2.862 20 10 EFCDMM CC[C@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277635603 474591322 /nfs/dbraw/zinc/59/13/22/474591322.db2.gz XMAIOEMBDRMQGM-JQWIXIFHSA-N -1 1 342.233 2.976 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NOC1CCCC1 ZINC000277600493 474591532 /nfs/dbraw/zinc/59/15/32/474591532.db2.gz VENWRMLAVRYYNX-UHFFFAOYSA-N -1 1 329.194 2.828 20 10 EFCDMM CC[C@@H]1CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000277658131 474592343 /nfs/dbraw/zinc/59/23/43/474592343.db2.gz ZOZDIVGKUYAZOA-PWSUYJOCSA-N -1 1 328.206 2.729 20 10 EFCDMM CSC1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000280042563 475005809 /nfs/dbraw/zinc/00/58/09/475005809.db2.gz ODDRSIDCQIBJRK-UHFFFAOYSA-N -1 1 345.262 2.850 20 10 EFCDMM CC[C@H](C)Oc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccn1 ZINC000295111073 475103825 /nfs/dbraw/zinc/10/38/25/475103825.db2.gz VKBUYTQUSMUCGD-JTQLQIEISA-N -1 1 334.347 2.739 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000361366002 475388948 /nfs/dbraw/zinc/38/89/48/475388948.db2.gz RFKSMJHMGVXZDK-INIZCTEOSA-N -1 1 348.418 2.711 20 10 EFCDMM CC[C@H](NC(c1nccn1C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000527949990 478583169 /nfs/dbraw/zinc/58/31/69/478583169.db2.gz VITCQAUUTLHWDX-AWEZNQCLSA-N -1 1 343.406 2.829 20 10 EFCDMM CCOC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1 ZINC000529664227 479238764 /nfs/dbraw/zinc/23/87/64/479238764.db2.gz BQDHXGOVJUSEHG-CYBMUJFWSA-N -1 1 344.249 2.700 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1[O-] ZINC000177170276 527205628 /nfs/dbraw/zinc/20/56/28/527205628.db2.gz YUXWQLUIJYGHCY-KOLCDFICSA-N -1 1 347.864 2.502 20 10 EFCDMM C[C@@H](NCc1nccn1C)c1cc(Br)cc(F)c1[O-] ZINC000756539902 575757366 /nfs/dbraw/zinc/75/73/66/575757366.db2.gz VWEYFSIHCHVOQR-MRVPVSSYSA-N -1 1 328.185 2.878 20 10 EFCDMM CC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])C(=O)OC(C)(C)C ZINC000756657279 575773604 /nfs/dbraw/zinc/77/36/04/575773604.db2.gz CTWLHIDZGRQSNZ-BXUZGUMPSA-N -1 1 337.416 2.950 20 10 EFCDMM C[C@H](Nc1cnn(CCO)c1)c1cc(Br)c(F)cc1[O-] ZINC000756857209 575793711 /nfs/dbraw/zinc/79/37/11/575793711.db2.gz SZLCXSDHPSIOKU-QMMMGPOBSA-N -1 1 344.184 2.656 20 10 EFCDMM COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1-n1cnnn1 ZINC000757615090 575845320 /nfs/dbraw/zinc/84/53/20/575845320.db2.gz WDCNICWJCIQCRR-VIFPVBQESA-N -1 1 347.325 2.828 20 10 EFCDMM CCOc1cc(C(=O)NCc2ccc(O)c(O)c2)cc(Cl)c1[O-] ZINC000762621668 576319010 /nfs/dbraw/zinc/31/90/10/576319010.db2.gz IVPMDFRLVSHUBH-UHFFFAOYSA-N -1 1 337.759 2.786 20 10 EFCDMM O=C(NCc1ccoc1)NCc1cccc(Br)c1[O-] ZINC000764766040 576500281 /nfs/dbraw/zinc/50/02/81/576500281.db2.gz FFBSEERYVIZWJW-UHFFFAOYSA-N -1 1 325.162 2.747 20 10 EFCDMM O=C(NCCOC1CCC1)NCc1cccc(Br)c1[O-] ZINC000764791647 576504131 /nfs/dbraw/zinc/50/41/31/576504131.db2.gz OYOAGAKATRJEKE-UHFFFAOYSA-N -1 1 343.221 2.523 20 10 EFCDMM CCn1cnc2c1ncnc2NCc1cccc(Br)c1[O-] ZINC000764933419 576525760 /nfs/dbraw/zinc/52/57/60/576525760.db2.gz CWRCBGIYQWRZJG-UHFFFAOYSA-N -1 1 348.204 2.926 20 10 EFCDMM Cc1nc2c(cnn2C)c(NCc2cccc(Br)c2[O-])n1 ZINC000764935318 576526158 /nfs/dbraw/zinc/52/61/58/576526158.db2.gz RHYPFMDKXPMTGD-UHFFFAOYSA-N -1 1 348.204 2.752 20 10 EFCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])nn1C ZINC000765316593 577031484 /nfs/dbraw/zinc/03/14/84/577031484.db2.gz MWCPYWNWOCIJHX-UHFFFAOYSA-N -1 1 339.193 2.518 20 10 EFCDMM CCn1nccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765340411 577033625 /nfs/dbraw/zinc/03/36/25/577033625.db2.gz VXDMEPRTUDVRHX-UHFFFAOYSA-N -1 1 339.193 2.693 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC12CCOCC2 ZINC000765735565 577071538 /nfs/dbraw/zinc/07/15/38/577071538.db2.gz HJKUUDJXEOIKED-NSHDSACASA-N -1 1 340.217 2.588 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC12CCOCC2 ZINC000765735519 577071579 /nfs/dbraw/zinc/07/15/79/577071579.db2.gz HJKUUDJXEOIKED-LLVKDONJSA-N -1 1 340.217 2.588 20 10 EFCDMM O=C(COc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765746743 577072089 /nfs/dbraw/zinc/07/20/89/577072089.db2.gz IMJCUNSOBFYSKR-UHFFFAOYSA-N -1 1 336.185 2.850 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1COc2ccccc21 ZINC000765750504 577072475 /nfs/dbraw/zinc/07/24/75/577072475.db2.gz HLNVBESQRKLNFS-LBPRGKRZSA-N -1 1 348.196 2.947 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])o1 ZINC000765750760 577072572 /nfs/dbraw/zinc/07/25/72/577072572.db2.gz LGACSPJLORZQPN-UHFFFAOYSA-N -1 1 341.117 2.586 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H](O)C1CCCCC1 ZINC000765751177 577072605 /nfs/dbraw/zinc/07/26/05/577072605.db2.gz QWOXXCXXCLDPAT-AWEZNQCLSA-N -1 1 342.233 2.712 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccncc1F ZINC000765755176 577072813 /nfs/dbraw/zinc/07/28/13/577072813.db2.gz HTJMTFIAVCOMQS-UHFFFAOYSA-N -1 1 325.137 2.619 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(F)nc1 ZINC000765767871 577074255 /nfs/dbraw/zinc/07/42/55/577074255.db2.gz FGHUEYDNWHCPRD-UHFFFAOYSA-N -1 1 325.137 2.619 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])C1=CC(=O)CS1 ZINC000765943292 577090867 /nfs/dbraw/zinc/09/08/67/577090867.db2.gz IBRIGKVRTQZULQ-UHFFFAOYSA-N -1 1 328.187 2.852 20 10 EFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000766048494 577101782 /nfs/dbraw/zinc/10/17/82/577101782.db2.gz UDWRGCFZFUJLDX-SNVBAGLBSA-N -1 1 347.392 2.719 20 10 EFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000766201207 577120498 /nfs/dbraw/zinc/12/04/98/577120498.db2.gz PMEGFXYQXJPRRY-UHFFFAOYSA-N -1 1 342.214 2.633 20 10 EFCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000767289888 577202800 /nfs/dbraw/zinc/20/28/00/577202800.db2.gz FWOKFDIYHDDRCY-UHFFFAOYSA-N -1 1 344.386 2.640 20 10 EFCDMM CCn1nc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000769741830 577382048 /nfs/dbraw/zinc/38/20/48/577382048.db2.gz XTZNOCUIKOWHAU-NTCAYCPXSA-N -1 1 332.363 2.518 20 10 EFCDMM CN1CCN(c2ccc(/C=C\c3ncc(C(=O)[O-])s3)cc2)CC1 ZINC000771525231 581220541 /nfs/dbraw/zinc/22/05/41/581220541.db2.gz AYBBDVIAFYUXJA-DAXSKMNVSA-N -1 1 329.425 2.764 20 10 EFCDMM CC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000772658978 581352433 /nfs/dbraw/zinc/35/24/33/581352433.db2.gz MYJRCFNGGILZDW-UHFFFAOYSA-N -1 1 338.157 2.880 20 10 EFCDMM O=C([O-])C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000236426301 598151258 /nfs/dbraw/zinc/15/12/58/598151258.db2.gz GKKHYYZIKUNWOD-SNVBAGLBSA-N -1 1 328.206 2.841 20 10 EFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000236426301 598151259 /nfs/dbraw/zinc/15/12/59/598151259.db2.gz GKKHYYZIKUNWOD-SNVBAGLBSA-N -1 1 328.206 2.841 20 10 EFCDMM Cc1[nH]c(C(=O)[C@H](C)N(C)Cc2ccccc2O)c(C)c1C(=O)[O-] ZINC000738230362 600142894 /nfs/dbraw/zinc/14/28/94/600142894.db2.gz QEFMQCZFMZBCOH-LBPRGKRZSA-N -1 1 330.384 2.739 20 10 EFCDMM CCc1cc(C[N@H+]2CCO[C@H](CC(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000830218637 601376933 /nfs/dbraw/zinc/37/69/33/601376933.db2.gz GIDFHSCWCXEJLQ-OAHLLOKOSA-N -1 1 335.444 2.928 20 10 EFCDMM CCc1cc(CN2CCO[C@H](CC(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000830218637 601376936 /nfs/dbraw/zinc/37/69/36/601376936.db2.gz GIDFHSCWCXEJLQ-OAHLLOKOSA-N -1 1 335.444 2.928 20 10 EFCDMM C[C@H]1C[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833594429 605478442 /nfs/dbraw/zinc/47/84/42/605478442.db2.gz CKNOQZMZSWSZII-RYUDHWBXSA-N -1 1 327.808 2.747 20 10 EFCDMM C[C@H]1C[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833594429 605478445 /nfs/dbraw/zinc/47/84/45/605478445.db2.gz CKNOQZMZSWSZII-RYUDHWBXSA-N -1 1 327.808 2.747 20 10 EFCDMM C[C@H](C[N@@H+](Cc1cccc(Br)c1[O-])C1CC1)C(=O)[O-] ZINC000833516163 605750495 /nfs/dbraw/zinc/75/04/95/605750495.db2.gz GIINLKJFYDJECD-SECBINFHSA-N -1 1 328.206 2.840 20 10 EFCDMM CCn1cc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])nn1 ZINC000850522551 1250519695 /nfs/dbraw/zinc/51/96/95/1250519695.db2.gz UQKSNSQMVHYPGW-MRVPVSSYSA-N -1 1 343.200 2.756 20 10 EFCDMM O=C1[N-]C(=S)S/C1=C\c1cc2c(cc1OC(F)F)OCO2 ZINC000741840398 1256187673 /nfs/dbraw/zinc/18/76/73/1256187673.db2.gz SDEBTBGXPAQTTC-MBXJOHMKSA-N -1 1 331.321 2.506 20 10 EFCDMM CC(C)(C)OC(=O)NC[C@@]1(F)CCN(Cc2c([O-])cccc2F)C1 ZINC001137841566 1260064509 /nfs/dbraw/zinc/06/45/09/1260064509.db2.gz JYHBHBMXKREUEI-KRWDZBQOSA-N -1 1 342.386 2.970 20 10 EFCDMM CC(C)CN1CC[C@]2(CCCN2Cc2c(F)ccc(F)c2[O-])C1=O ZINC001273205669 1263250788 /nfs/dbraw/zinc/25/07/88/1263250788.db2.gz BKOAMVCNJPZXHF-GOSISDBHSA-N -1 1 338.398 2.893 20 10 EFCDMM C[C@@H]1C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCCO1 ZINC000738163561 1268384198 /nfs/dbraw/zinc/38/41/98/1268384198.db2.gz ZKVHNPYAIBXHFW-CQSZACIVSA-N -1 1 341.407 2.940 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCCO1 ZINC000738163561 1268384208 /nfs/dbraw/zinc/38/42/08/1268384208.db2.gz ZKVHNPYAIBXHFW-CQSZACIVSA-N -1 1 341.407 2.940 20 10 EFCDMM COc1cc(C=C2SC(=S)[N-]C2=O)c(SC)cc1OC ZINC000741165269 1269363710 /nfs/dbraw/zinc/36/37/10/1269363710.db2.gz IQFVSVSHQZPPDA-WZUFQYTHSA-N -1 1 327.452 2.915 20 10 EFCDMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000825425379 1278547342 /nfs/dbraw/zinc/54/73/42/1278547342.db2.gz RZTHYOPEWOFXEB-SNVBAGLBSA-N -1 1 347.342 2.717 20 10 EFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C ZINC000743259803 1270486436 /nfs/dbraw/zinc/48/64/36/1270486436.db2.gz NJUJTXXJCYIFNH-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)c(O)c2O)c1 ZINC000744909248 1271238446 /nfs/dbraw/zinc/23/84/46/1271238446.db2.gz IKTYTMFAVHSQQX-UHFFFAOYSA-N -1 1 330.336 2.714 20 10 EFCDMM CN(c1ccc(Cl)c([O-])c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001212592573 1273073340 /nfs/dbraw/zinc/07/33/40/1273073340.db2.gz WSJYYEYFSRDRMP-UHFFFAOYSA-N -1 1 340.832 2.637 20 10 EFCDMM Cc1cc2c(cc1C)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CO2 ZINC000786960501 1275589654 /nfs/dbraw/zinc/58/96/54/1275589654.db2.gz OBDCCYZGYKVBOI-CQSZACIVSA-N -1 1 342.347 2.617 20 10 EFCDMM O=C(CNc1cc(Cl)nc2cnccc21)c1ccc([O-])c(O)c1 ZINC001170316649 1279009638 /nfs/dbraw/zinc/00/96/38/1279009638.db2.gz WGPILAUKZDVLPL-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM CC(C)[S@@](=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170315420 1279010008 /nfs/dbraw/zinc/01/00/08/1279010008.db2.gz YDMRDAOHILWAAA-HSZRJFAPSA-N -1 1 333.409 2.909 20 10 EFCDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc(-c2ccccn2)n1 ZINC001170315811 1279010503 /nfs/dbraw/zinc/01/05/03/1279010503.db2.gz GMPIIAHSTJXYJB-UHFFFAOYSA-N -1 1 336.351 2.553 20 10 EFCDMM CC(=O)N1CCCc2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc21 ZINC001170314538 1279010663 /nfs/dbraw/zinc/01/06/63/1279010663.db2.gz CPOJYSWIELOUFQ-UHFFFAOYSA-N -1 1 340.379 2.692 20 10 EFCDMM O=C(CNc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc([O-])c(O)c1 ZINC001170317104 1279012225 /nfs/dbraw/zinc/01/22/25/1279012225.db2.gz ZAIANUVYRYGUHH-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2cccnc21 ZINC000819943558 1276963375 /nfs/dbraw/zinc/96/33/75/1276963375.db2.gz IGFNOTPCOORWDU-LBPRGKRZSA-N -1 1 347.212 2.896 20 10 EFCDMM CCN(CCNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1C ZINC000789956048 1277119426 /nfs/dbraw/zinc/11/94/26/1277119426.db2.gz AIQTXOMBKWIABO-UHFFFAOYSA-N -1 1 332.375 2.802 20 10 EFCDMM O=C(NCc1cccc(Br)c1)c1c([O-])c(O)ccc1F ZINC000789963434 1277125146 /nfs/dbraw/zinc/12/51/46/1277125146.db2.gz HUJAKBNXNMMZFW-UHFFFAOYSA-N -1 1 340.148 2.929 20 10 EFCDMM O=C(NCc1nnc(-c2ccccc2)s1)c1c(F)ccc(O)c1[O-] ZINC000789988553 1277150042 /nfs/dbraw/zinc/15/00/42/1277150042.db2.gz IQLKDPVRRPVJBM-UHFFFAOYSA-N -1 1 345.355 2.685 20 10 EFCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(-n2cccn2)c1 ZINC000789989384 1277151170 /nfs/dbraw/zinc/15/11/70/1277151170.db2.gz HCJNVKDECRZPRG-NSHDSACASA-N -1 1 341.342 2.914 20 10 EFCDMM CC[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])Oc1cccc(F)c1 ZINC000789989664 1277151643 /nfs/dbraw/zinc/15/16/43/1277151643.db2.gz KTQHBJLYORKISV-LLVKDONJSA-N -1 1 337.322 2.963 20 10 EFCDMM CCC1(CC)[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H](C)[C@@H]1OC ZINC000789994328 1277153818 /nfs/dbraw/zinc/15/38/18/1277153818.db2.gz CGGKFEFYZOSMKP-ZWZTZDBGSA-N -1 1 325.380 2.806 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@@H](c2ccccc2F)C1 ZINC000789971868 1277166322 /nfs/dbraw/zinc/16/63/22/1277166322.db2.gz UHAQZOKRUOIOSG-CQSZACIVSA-N -1 1 335.306 2.590 20 10 EFCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cc(C(F)(F)F)ccc1O ZINC000821118960 1277446210 /nfs/dbraw/zinc/44/62/10/1277446210.db2.gz ISSXJSDHAXIEOW-UHFFFAOYSA-N -1 1 333.287 2.917 20 10 EFCDMM O=C(CSc1nccc(C(F)(F)F)n1)c1ccc([O-])c(O)c1 ZINC000844519525 1279073272 /nfs/dbraw/zinc/07/32/72/1279073272.db2.gz GSEQCEKMBCOUJH-UHFFFAOYSA-N -1 1 330.287 2.882 20 10 EFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000792702697 1279127054 /nfs/dbraw/zinc/12/70/54/1279127054.db2.gz DKESXORDLLGEEM-UHFFFAOYSA-N -1 1 337.422 2.850 20 10 EFCDMM C[C@H](COCC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000845217848 1279498518 /nfs/dbraw/zinc/49/85/18/1279498518.db2.gz RPICAKLSEWWAHR-CYBMUJFWSA-N -1 1 344.363 2.644 20 10 EFCDMM COc1ccc(N2CCN(Cc3sccc3C(=O)[O-])CC2)cc1 ZINC001144665776 1279972583 /nfs/dbraw/zinc/97/25/83/1279972583.db2.gz VCBPSVGQMFGQRQ-UHFFFAOYSA-N -1 1 332.425 2.777 20 10 EFCDMM Cc1nc2ccc(NCc3cccc(Br)c3[O-])nn2n1 ZINC000804653795 1280345179 /nfs/dbraw/zinc/34/51/79/1280345179.db2.gz CBHBSIKPCVEAQN-UHFFFAOYSA-N -1 1 334.177 2.513 20 10 EFCDMM CCOC(=O)C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])CC(C)C ZINC000846659157 1280373201 /nfs/dbraw/zinc/37/32/01/1280373201.db2.gz PYGOWSJVTJEQLB-NSHDSACASA-N -1 1 341.379 2.582 20 10 EFCDMM Cc1nnc(SCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000807836867 1281446984 /nfs/dbraw/zinc/44/69/84/1281446984.db2.gz SCAUJRFTGFQLIR-UHFFFAOYSA-N -1 1 347.227 2.534 20 10 EFCDMM CCCCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(C)n1 ZINC000872361803 1287551485 /nfs/dbraw/zinc/55/14/85/1287551485.db2.gz QTHSCBFAUUMLGK-UHFFFAOYSA-N -1 1 327.381 2.637 20 10 EFCDMM COC[C@@H](C)[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000812557769 1285245590 /nfs/dbraw/zinc/24/55/90/1285245590.db2.gz KRBXFKNWGFEQMG-NXEZZACHSA-N -1 1 330.222 2.690 20 10 EFCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])c1ccc2c(c1)OCO2 ZINC000825624285 1289366000 /nfs/dbraw/zinc/36/60/00/1289366000.db2.gz KJODXLRGSKVOHP-UHFFFAOYSA-N -1 1 347.342 2.673 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC12CCC2 ZINC000873266474 1289690720 /nfs/dbraw/zinc/69/07/20/1289690720.db2.gz NQQNJCBIGOHROU-NSHDSACASA-N -1 1 325.206 2.897 20 10 EFCDMM CN(C)C(=O)O[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824615848 1289729162 /nfs/dbraw/zinc/72/91/62/1289729162.db2.gz NJHKHAAIRUFZHW-GFCCVEGCSA-N -1 1 330.787 2.847 20 10 EFCDMM O=C(CNC(=O)[C@H]1CC12CCC(F)(F)CC2)c1ccc([O-])c(O)c1 ZINC001183593217 1290375757 /nfs/dbraw/zinc/37/57/57/1290375757.db2.gz JNEOCICNWWJTBT-LLVKDONJSA-N -1 1 339.338 2.612 20 10 EFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1c(F)cc(F)cc1F ZINC001186079047 1290835470 /nfs/dbraw/zinc/83/54/70/1290835470.db2.gz VMDISCSIFOHQBS-UHFFFAOYSA-N -1 1 340.257 2.520 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CC(C)(C)OC2=O)c1[O-] ZINC000795661886 1291004633 /nfs/dbraw/zinc/00/46/33/1291004633.db2.gz VXHMRBZSWXKXQO-ZDUSSCGKSA-N -1 1 325.792 2.774 20 10 EFCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@@H](O)[C@@H](F)CC1 ZINC001233028536 1312835926 /nfs/dbraw/zinc/83/59/26/1312835926.db2.gz QFWBTLNQSWLGEG-CMPLNLGQSA-N -1 1 336.176 2.589 20 10 EFCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@@H](F)[C@@H](O)CC1 ZINC001233028538 1312836070 /nfs/dbraw/zinc/83/60/70/1312836070.db2.gz QFWBTLNQSWLGEG-PWSUYJOCSA-N -1 1 336.176 2.589 20 10 EFCDMM Cc1ccc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000093899904 1291238242 /nfs/dbraw/zinc/23/82/42/1291238242.db2.gz STHVRNQYLQBKMF-UHFFFAOYSA-N -1 1 334.397 2.633 20 10 EFCDMM CO[C@@H](C)C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000795749061 1291344576 /nfs/dbraw/zinc/34/45/76/1291344576.db2.gz DZSJBGAREPQCGX-ZDUSSCGKSA-N -1 1 329.396 2.796 20 10 EFCDMM CO[C@@H](C)C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000795749061 1291344582 /nfs/dbraw/zinc/34/45/82/1291344582.db2.gz DZSJBGAREPQCGX-ZDUSSCGKSA-N -1 1 329.396 2.796 20 10 EFCDMM [O-]c1c(CN2CCCC[C@@](O)(C(F)(F)F)C2)ccc(F)c1F ZINC001233076019 1312850105 /nfs/dbraw/zinc/85/01/05/1312850105.db2.gz JJKOZGSPAAWOFR-ZDUSSCGKSA-N -1 1 325.277 2.950 20 10 EFCDMM Cc1cncnc1OC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233080110 1312850446 /nfs/dbraw/zinc/85/04/46/1312850446.db2.gz PTZAWVGSRHURLY-UHFFFAOYSA-N -1 1 335.354 2.812 20 10 EFCDMM O=C(COC(=O)c1cnc2c(F)cccc2c1)c1ccc([O-])c(O)c1 ZINC000795845311 1291550641 /nfs/dbraw/zinc/55/06/41/1291550641.db2.gz ZGNNXDBRQBQAOZ-UHFFFAOYSA-N -1 1 341.294 2.825 20 10 EFCDMM COc1cc(O)c(C[N@H+](C)Cc2ccno2)cc1Br ZINC001233140994 1312865004 /nfs/dbraw/zinc/86/50/04/1312865004.db2.gz BFRWJQCYZLKFDT-UHFFFAOYSA-N -1 1 327.178 2.783 20 10 EFCDMM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1cc(F)c([O-])cc1F ZINC001189317894 1291670888 /nfs/dbraw/zinc/67/08/88/1291670888.db2.gz NSOZLYZPCGTFLD-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001233332822 1312904512 /nfs/dbraw/zinc/90/45/12/1312904512.db2.gz YQUIOOAAQHPOOP-PHIMTYICSA-N -1 1 340.370 2.864 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001233332427 1312904773 /nfs/dbraw/zinc/90/47/73/1312904773.db2.gz KUSIPGOBZKFTNO-JQWIXIFHSA-N -1 1 329.240 2.508 20 10 EFCDMM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1c([O-])ccc(F)c1F ZINC001233334935 1312906026 /nfs/dbraw/zinc/90/60/26/1312906026.db2.gz AEJHQTONYUZEQF-HNNXBMFYSA-N -1 1 333.334 2.770 20 10 EFCDMM CCOC[C@@H]1Cn2nccc2CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233333850 1312906731 /nfs/dbraw/zinc/90/67/31/1312906731.db2.gz JWRNWOXFMZFGSB-LBPRGKRZSA-N -1 1 337.370 2.535 20 10 EFCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1c(F)ccc(O)c1[O-] ZINC000826137836 1292320724 /nfs/dbraw/zinc/32/07/24/1292320724.db2.gz ZLOGELLBWGCRMD-UHFFFAOYSA-N -1 1 331.343 2.751 20 10 EFCDMM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416630 1312927959 /nfs/dbraw/zinc/92/79/59/1312927959.db2.gz PDTYIXWWBKKDFD-XHDPSFHLSA-N -1 1 329.318 2.939 20 10 EFCDMM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000880333202 1292460817 /nfs/dbraw/zinc/46/08/17/1292460817.db2.gz ZVDKKCJVWVXMQR-LBPRGKRZSA-N -1 1 347.745 2.631 20 10 EFCDMM COC1C[C@@H]2COC[C@H](C1)N2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417599 1312928173 /nfs/dbraw/zinc/92/81/73/1312928173.db2.gz APSZKOCIRUYLSK-FUNVUKJBSA-N -1 1 331.334 2.789 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)CO[C@@H](C)COC ZINC001233496100 1312942842 /nfs/dbraw/zinc/94/28/42/1312942842.db2.gz PYOKEDCXMCTFDB-NWDGAFQWSA-N -1 1 326.389 2.899 20 10 EFCDMM O=C(Nc1cccnc1-n1cccn1)c1ccc(O)c([O-])c1Cl ZINC001193209645 1293198512 /nfs/dbraw/zinc/19/85/12/1293198512.db2.gz MTYADLJHPAFICM-UHFFFAOYSA-N -1 1 330.731 2.584 20 10 EFCDMM CCOC(=O)c1ccncc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193210194 1293198637 /nfs/dbraw/zinc/19/86/37/1293198637.db2.gz VZPQDMZOYGSYRU-UHFFFAOYSA-N -1 1 336.731 2.575 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC(OC2CCC2)CC1 ZINC001193220210 1293199450 /nfs/dbraw/zinc/19/94/50/1293199450.db2.gz RTQWJIZVYIQPTB-UHFFFAOYSA-N -1 1 325.792 2.925 20 10 EFCDMM O=C(NCCc1c[nH]c2cccnc12)c1ccc(O)c([O-])c1Cl ZINC001193236776 1293208881 /nfs/dbraw/zinc/20/88/81/1293208881.db2.gz QNJNNSUCKIOPLB-UHFFFAOYSA-N -1 1 331.759 2.600 20 10 EFCDMM O=C(NC1(Cc2ccc(O)cc2)CC1)c1ccc(O)c([O-])c1Cl ZINC001193247394 1293213188 /nfs/dbraw/zinc/21/31/88/1293213188.db2.gz XHGGCQUAWPWFPH-UHFFFAOYSA-N -1 1 333.771 2.962 20 10 EFCDMM O=C(NCc1cc(F)cnc1Cl)c1ccc(O)c([O-])c1Cl ZINC001193247301 1293213424 /nfs/dbraw/zinc/21/34/24/1293213424.db2.gz TZQCPIIPQVXOOG-UHFFFAOYSA-N -1 1 331.130 2.869 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@@H]1Cc1ccccn1 ZINC001193225059 1293222324 /nfs/dbraw/zinc/22/23/24/1293222324.db2.gz HAMJVFHMUXEZOU-GFCCVEGCSA-N -1 1 332.787 2.994 20 10 EFCDMM O=C(Nc1ccccc1-c1nc[nH]n1)c1ccc(O)c([O-])c1Cl ZINC001193229780 1293225989 /nfs/dbraw/zinc/22/59/89/1293225989.db2.gz NJVBESVEURFCPQ-UHFFFAOYSA-N -1 1 330.731 2.789 20 10 EFCDMM O=C(Nc1ccccc1-n1cncn1)c1ccc(O)c([O-])c1Cl ZINC001193229768 1293226232 /nfs/dbraw/zinc/22/62/32/1293226232.db2.gz MRYFIJZZWYFTFJ-UHFFFAOYSA-N -1 1 330.731 2.584 20 10 EFCDMM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)cn1 ZINC000775652509 1293918665 /nfs/dbraw/zinc/91/86/65/1293918665.db2.gz MFRIBQNJQZLVMA-UHFFFAOYSA-N -1 1 348.790 2.671 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN[C@@H](CCO)C(F)(F)F)c1 ZINC000886370918 1294902325 /nfs/dbraw/zinc/90/23/25/1294902325.db2.gz AMFYPUPMWULIIA-JTQLQIEISA-N -1 1 342.155 2.866 20 10 EFCDMM O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1[O-] ZINC000097152699 1295048522 /nfs/dbraw/zinc/04/85/22/1295048522.db2.gz YLJGIDNJYKTAQG-UHFFFAOYSA-N -1 1 346.814 2.812 20 10 EFCDMM O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001274226823 1295814716 /nfs/dbraw/zinc/81/47/16/1295814716.db2.gz AVMCLSWYXVPPKC-INIZCTEOSA-N -1 1 344.789 2.878 20 10 EFCDMM CCc1ccccc1NC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001201150349 1296591342 /nfs/dbraw/zinc/59/13/42/1296591342.db2.gz DWWIJWHSWCUNMB-UHFFFAOYSA-N -1 1 330.409 2.830 20 10 EFCDMM CN(Cc1ccncn1)Cc1cc(F)cc(Br)c1[O-] ZINC001235306460 1313286801 /nfs/dbraw/zinc/28/68/01/1313286801.db2.gz GKNXHYYGDFRNKA-UHFFFAOYSA-N -1 1 326.169 2.716 20 10 EFCDMM Cc1nc(Cl)sc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001201764511 1297061652 /nfs/dbraw/zinc/06/16/52/1297061652.db2.gz XASCGVSZGGIUDQ-UHFFFAOYSA-N -1 1 340.760 2.890 20 10 EFCDMM CC[C@@H]1C(=O)NCC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000106855672 1297583868 /nfs/dbraw/zinc/58/38/68/1297583868.db2.gz IBMSCYZFDMDAQI-CQSZACIVSA-N -1 1 328.412 2.728 20 10 EFCDMM CN[C@@H]1CCN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001236165857 1313450221 /nfs/dbraw/zinc/45/02/21/1313450221.db2.gz AMJBQJZEFSFLKM-JTQLQIEISA-N -1 1 339.155 2.925 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001236789293 1313529704 /nfs/dbraw/zinc/52/97/04/1313529704.db2.gz DKQXVQSNRXWWFT-RJIBLYRGSA-N -1 1 332.227 2.671 20 10 EFCDMM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236796818 1313530356 /nfs/dbraw/zinc/53/03/56/1313530356.db2.gz REVOBEJKHCADRC-AWEZNQCLSA-N -1 1 346.210 2.796 20 10 EFCDMM CCOC(=O)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236795618 1313530598 /nfs/dbraw/zinc/53/05/98/1313530598.db2.gz IIUIMKNJAZCADK-UHFFFAOYSA-N -1 1 333.215 2.973 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1Cc2ccnn2CC[C@@H]1CO ZINC001236802976 1313531892 /nfs/dbraw/zinc/53/18/92/1313531892.db2.gz LDWIBLPTOQSDLO-GFCCVEGCSA-N -1 1 342.226 2.662 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1Cc2ccnn2CC[C@H]1CO ZINC001236802980 1313532193 /nfs/dbraw/zinc/53/21/93/1313532193.db2.gz LDWIBLPTOQSDLO-LBPRGKRZSA-N -1 1 342.226 2.662 20 10 EFCDMM CC(C)C(=O)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236803045 1313532430 /nfs/dbraw/zinc/53/24/30/1313532430.db2.gz MBEGZRHYDSTNJM-UHFFFAOYSA-N -1 1 331.243 2.999 20 10 EFCDMM COc1ccc(C[N@H+]2CC[C@@H](Oc3ncncc3C)C2)c([O-])c1Cl ZINC001236809754 1313534101 /nfs/dbraw/zinc/53/41/01/1313534101.db2.gz OEAKLRBELGLTTM-CYBMUJFWSA-N -1 1 349.818 2.806 20 10 EFCDMM CC1(C)CN(C2CN(Cc3c([O-])ccc(Cl)c3Cl)C2)CCO1 ZINC001237084840 1313584097 /nfs/dbraw/zinc/58/40/97/1313584097.db2.gz OKJSJOGPAHZEJB-UHFFFAOYSA-N -1 1 345.270 2.994 20 10 EFCDMM C[C@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306034525 1299443220 /nfs/dbraw/zinc/44/32/20/1299443220.db2.gz LWKFKDFJVVNZNY-CABZTGNLSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306034525 1299443223 /nfs/dbraw/zinc/44/32/23/1299443223.db2.gz LWKFKDFJVVNZNY-CABZTGNLSA-N -1 1 328.206 2.697 20 10 EFCDMM CC1CCN(c2ccc(CNC(=O)c3cncc([O-])c3)cc2)CC1 ZINC000111617667 1300291098 /nfs/dbraw/zinc/29/10/98/1300291098.db2.gz YTMJJGYLANPVPK-UHFFFAOYSA-N -1 1 325.412 2.954 20 10 EFCDMM [O-]c1c(I)cccc1CN1CCC[C@H](F)C1 ZINC001237780250 1313704919 /nfs/dbraw/zinc/70/49/19/1313704919.db2.gz RHTUHRQQMUWUNO-JTQLQIEISA-N -1 1 335.160 2.931 20 10 EFCDMM [O-]c1c(I)cccc1CN1CCC[C@@H]1CF ZINC001237785740 1313705423 /nfs/dbraw/zinc/70/54/23/1313705423.db2.gz INNZHLHLFMGMTQ-SNVBAGLBSA-N -1 1 335.160 2.931 20 10 EFCDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000776745895 1300605794 /nfs/dbraw/zinc/60/57/94/1300605794.db2.gz PPBOGPHRADEMIW-UHFFFAOYSA-N -1 1 335.381 2.760 20 10 EFCDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000776748097 1300613731 /nfs/dbraw/zinc/61/37/31/1300613731.db2.gz WXAABQHJZWVMOG-UHFFFAOYSA-N -1 1 349.408 2.905 20 10 EFCDMM Cc1nccnc1O[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800785 1313708661 /nfs/dbraw/zinc/70/86/61/1313708661.db2.gz CDLIXGYHCFHTBM-CYBMUJFWSA-N -1 1 337.782 2.936 20 10 EFCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001237802751 1313708822 /nfs/dbraw/zinc/70/88/22/1313708822.db2.gz OOLXLTAIMQXDDU-LBPRGKRZSA-N -1 1 341.745 2.767 20 10 EFCDMM Cc1ccnc(O[C@@H]2CCN(Cc3cc(F)cc(Cl)c3[O-])C2)n1 ZINC001237803289 1313709175 /nfs/dbraw/zinc/70/91/75/1313709175.db2.gz SCBGCSJTQSOXAJ-CYBMUJFWSA-N -1 1 337.782 2.936 20 10 EFCDMM CCNC(=O)OC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237807237 1313710543 /nfs/dbraw/zinc/71/05/43/1313710543.db2.gz ZMWMGXFOAAKPBM-UHFFFAOYSA-N -1 1 330.787 2.895 20 10 EFCDMM COCc1noc2c1CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237939595 1313733445 /nfs/dbraw/zinc/73/34/45/1313733445.db2.gz YWNQLIJQLVWBBB-UHFFFAOYSA-N -1 1 326.755 2.877 20 10 EFCDMM COC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2ncn(C)c21 ZINC001237938873 1313733674 /nfs/dbraw/zinc/73/36/74/1313733674.db2.gz QDWJIOMPFWUKPL-NSHDSACASA-N -1 1 339.798 2.664 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])C1(c2ccccn2)CC1 ZINC000867831299 1303975212 /nfs/dbraw/zinc/97/52/12/1303975212.db2.gz UJOAJOVGXNUYGI-UHFFFAOYSA-N -1 1 347.212 2.898 20 10 EFCDMM CCCNC(=O)CN(CCC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750040430 1311047513 /nfs/dbraw/zinc/04/75/13/1311047513.db2.gz WYZLBWHUIQMERM-UHFFFAOYSA-N -1 1 340.851 2.986 20 10 EFCDMM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(F)c(O)cc2Cl)c1 ZINC000901963606 1311248228 /nfs/dbraw/zinc/24/82/28/1311248228.db2.gz VYQDRHOGEBLIPC-UHFFFAOYSA-N -1 1 333.772 2.763 20 10 EFCDMM O=C(CNC(F)(F)Oc1cccnc1Cl)c1ccc([O-])c(O)c1 ZINC001159277171 1311484590 /nfs/dbraw/zinc/48/45/90/1311484590.db2.gz PVNJHJIFXWWUQK-UHFFFAOYSA-N -1 1 344.701 2.548 20 10 EFCDMM O=C(CNc1ccc2c(Cl)ccnc2n1)c1ccc([O-])c(O)c1 ZINC001159279197 1311484918 /nfs/dbraw/zinc/48/49/18/1311484918.db2.gz LLNZQVJVJGMPJC-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1nccnc1Oc1ccccc1)c1ccc([O-])c(O)c1 ZINC001159280287 1311485332 /nfs/dbraw/zinc/48/53/32/1311485332.db2.gz JPEBFXMFVYXJLK-UHFFFAOYSA-N -1 1 337.335 2.975 20 10 EFCDMM Cc1ccc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)nc1Cl ZINC001159279786 1311485507 /nfs/dbraw/zinc/48/55/07/1311485507.db2.gz YVVUCLRKKGJCLQ-UHFFFAOYSA-N -1 1 342.729 2.976 20 10 EFCDMM C[C@H]1OCC[C@H]1COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580467 1311824497 /nfs/dbraw/zinc/82/44/97/1311824497.db2.gz QTOQSXGXZWLRQQ-NEPJUHHUSA-N -1 1 338.359 2.971 20 10 EFCDMM CCOC[C@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227579965 1311824551 /nfs/dbraw/zinc/82/45/51/1311824551.db2.gz CMJOWXGWMOEDQY-NSHDSACASA-N -1 1 326.348 2.971 20 10 EFCDMM CO[C@@H](C)CCOc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227581379 1311824591 /nfs/dbraw/zinc/82/45/91/1311824591.db2.gz ZWCYSIZZOIXNNH-NSHDSACASA-N -1 1 326.348 2.971 20 10 EFCDMM C[C@@H](O)CCCC(=O)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940387 1311876575 /nfs/dbraw/zinc/87/65/75/1311876575.db2.gz LDONXRZZYZBRIW-GFCCVEGCSA-N -1 1 344.363 2.785 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC[C@H]1CCCCO1 ZINC001228112867 1311901624 /nfs/dbraw/zinc/90/16/24/1311901624.db2.gz BBMNXNOGDGNFIZ-CQSZACIVSA-N -1 1 344.363 2.982 20 10 EFCDMM CO[C@@H](C)CCOc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228115750 1311901860 /nfs/dbraw/zinc/90/18/60/1311901860.db2.gz QJKQLRFSZXVGBJ-NSHDSACASA-N -1 1 332.352 2.838 20 10 EFCDMM O=C([O-])CC[C@@H](O)C(=O)Oc1ccccc1N=Nc1ccccc1O ZINC001228417829 1311944995 /nfs/dbraw/zinc/94/49/95/1311944995.db2.gz APQGTMQRCHWJSI-IWHJNQCMSA-N -1 1 344.323 2.939 20 10 EFCDMM CC[C@@H](COc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)OC ZINC001229197046 1312060675 /nfs/dbraw/zinc/06/06/75/1312060675.db2.gz MFRHPYCXHLCYSC-JTQLQIEISA-N -1 1 342.347 2.677 20 10 EFCDMM CC(C)(C)NC(=O)c1noc2c1CN(Cc1c([O-])cccc1F)CC2 ZINC001277485101 1312426714 /nfs/dbraw/zinc/42/67/14/1312426714.db2.gz XXZYIIXKKXNDSN-UHFFFAOYSA-N -1 1 347.390 2.606 20 10 EFCDMM O=C([O-])c1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001231453218 1312501316 /nfs/dbraw/zinc/50/13/16/1312501316.db2.gz DROLYMMEKMPQLF-KRWDZBQOSA-N -1 1 327.380 2.534 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CCC[C@H]2C(=O)Nc2ccccc2)c1 ZINC001231566662 1312526240 /nfs/dbraw/zinc/52/62/40/1312526240.db2.gz PODBILVLHOHBSJ-INIZCTEOSA-N -1 1 340.379 2.694 20 10 EFCDMM CCOC[C@@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cn(C)nc21 ZINC001231909877 1312586144 /nfs/dbraw/zinc/58/61/44/1312586144.db2.gz GVCQJMVXVZVYED-AWEZNQCLSA-N -1 1 335.835 2.915 20 10 EFCDMM [O-]c1cc(O)c(CN2CCn3cc(C(F)(F)F)nc3C2)cc1Cl ZINC001232264423 1312661710 /nfs/dbraw/zinc/66/17/10/1312661710.db2.gz BJZHNCIYNXFUKG-UHFFFAOYSA-N -1 1 347.724 2.982 20 10 EFCDMM CC(C)(C)Cc1cc(=O)n([C@@](C)(Cc2ccc(O)c(O)c2)C(=O)[O-])[nH]1 ZINC001245932386 1314551437 /nfs/dbraw/zinc/55/14/37/1314551437.db2.gz NCCWAKXLFILIND-SFHVURJKSA-N -1 1 348.399 2.631 20 10 EFCDMM CS(=O)(=O)N(c1ccc(N)cc1)c1c(F)c([O-])ccc1Cl ZINC001214561638 1314707517 /nfs/dbraw/zinc/70/75/17/1314707517.db2.gz WCFYBAUTNQZUAM-UHFFFAOYSA-N -1 1 330.768 2.865 20 10 EFCDMM COc1cc(O)c(C[N@@H+]2CC[C@H]2C)cc1I ZINC001248462007 1314937094 /nfs/dbraw/zinc/93/70/94/1314937094.db2.gz JZVMGCWKKFNPKJ-MRVPVSSYSA-N -1 1 333.169 2.600 20 10 EFCDMM COCn1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001216575641 1314974391 /nfs/dbraw/zinc/97/43/91/1314974391.db2.gz SCGGTHOKAOGFDH-UHFFFAOYSA-N -1 1 349.346 2.712 20 10 EFCDMM COCOc1ccc2nc(-c3cc(O)c([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC001251027108 1315312079 /nfs/dbraw/zinc/31/20/79/1315312079.db2.gz ILDFXMPPDPYBHU-UHFFFAOYSA-N -1 1 331.284 2.532 20 10 EFCDMM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(O)cc1Br ZINC001258659270 1316170472 /nfs/dbraw/zinc/17/04/72/1316170472.db2.gz IJTSLALOAQQLOM-UHFFFAOYSA-N -1 1 347.190 2.560 20 10 EFCDMM COc1cc(C)ccc1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001259205455 1316220148 /nfs/dbraw/zinc/22/01/48/1316220148.db2.gz UBWXWAVBQPYSAZ-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM O=S(=O)(CCc1ccccc1F)Nc1cc(F)c([O-])cc1F ZINC001259786768 1316278274 /nfs/dbraw/zinc/27/82/74/1316278274.db2.gz OCLOKAXOPQIDQD-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM O=S(=O)(CCc1ccccc1F)Nc1c(F)cc([O-])cc1F ZINC001259787156 1316278506 /nfs/dbraw/zinc/27/85/06/1316278506.db2.gz JDLYXMPANXSNDQ-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001260296912 1316329869 /nfs/dbraw/zinc/32/98/69/1316329869.db2.gz JGRXRJZHVCHKHU-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM COc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(F)c1 ZINC001260382516 1316335966 /nfs/dbraw/zinc/33/59/66/1316335966.db2.gz TZVVQTQARVWVPD-UHFFFAOYSA-N -1 1 339.373 2.640 20 10 EFCDMM CCOc1ccc(NC(=S)NN=c2nc(OC)cc(C)[n-]2)cc1 ZINC000747653603 1324583498 /nfs/dbraw/zinc/58/34/98/1324583498.db2.gz FAMRIGHGHRPTLL-UHFFFAOYSA-N -1 1 333.417 2.506 20 10 EFCDMM CC(C)c1ncc(C(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC001320797462 1329303273 /nfs/dbraw/zinc/30/32/73/1329303273.db2.gz JQMPCORNJXBFRL-UHFFFAOYSA-N -1 1 338.205 2.931 20 10 EFCDMM CC(C)CCn1cc(C(=O)[N-]c2c3nonc3ccc2Cl)nn1 ZINC001324139924 1329602603 /nfs/dbraw/zinc/60/26/03/1329602603.db2.gz CVTGEHMPWAEYAH-UHFFFAOYSA-N -1 1 334.767 2.766 20 10 EFCDMM Cc1conc1NC(=O)NCc1cccc(Br)c1[O-] ZINC001324638329 1329647084 /nfs/dbraw/zinc/64/70/84/1329647084.db2.gz KKNAUCQOVUYJFJ-UHFFFAOYSA-N -1 1 326.150 2.773 20 10 EFCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1F ZINC001339315461 1331841326 /nfs/dbraw/zinc/84/13/26/1331841326.db2.gz MGVVCVIEFYYWQD-VIFPVBQESA-N -1 1 336.290 2.906 20 10 EFCDMM Cc1noc(CN(C)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000848928073 1334993383 /nfs/dbraw/zinc/99/33/83/1334993383.db2.gz VNOBFXGMWBLMGT-UHFFFAOYSA-N -1 1 326.194 2.787 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826209111 1429007576 /nfs/dbraw/zinc/00/75/76/1429007576.db2.gz NCDCIAAPEVRLSG-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM CN(Cc1cc2c(cc1O)CCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000825953761 1429265704 /nfs/dbraw/zinc/26/57/04/1429265704.db2.gz PCFWKZUHMVIKPY-UHFFFAOYSA-N -1 1 339.374 2.837 20 10 EFCDMM CCCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736471987 1429511102 /nfs/dbraw/zinc/51/11/02/1429511102.db2.gz MCLACAPIQDVDML-UHFFFAOYSA-N -1 1 338.415 2.756 20 10 EFCDMM CCN(CC)c1ccc(CNCc2ccc(-c3nn[n-]n3)o2)cc1F ZINC000821197276 1425394502 /nfs/dbraw/zinc/39/45/02/1425394502.db2.gz IBJKFVCAELVWBP-UHFFFAOYSA-N -1 1 344.394 2.735 20 10 EFCDMM CCN(CC)c1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC000821197276 1425394507 /nfs/dbraw/zinc/39/45/07/1425394507.db2.gz IBJKFVCAELVWBP-UHFFFAOYSA-N -1 1 344.394 2.735 20 10 EFCDMM c1cc(NCc2ccc(N3CCCCC3)cc2)nc(-c2nnn[n-]2)c1 ZINC000738419065 1426083624 /nfs/dbraw/zinc/08/36/24/1426083624.db2.gz MTGXXCJLTXXWJG-UHFFFAOYSA-N -1 1 335.415 2.864 20 10 EFCDMM CCN(CC)C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736530098 1442082941 /nfs/dbraw/zinc/08/29/41/1442082941.db2.gz WQCUJEQYJWQXIF-UHFFFAOYSA-N -1 1 338.415 2.756 20 10 EFCDMM COc1cc(C)cc(CN(C)c2ccc(-c3nnn[n-]3)cc2F)c1O ZINC000826178247 1442141600 /nfs/dbraw/zinc/14/16/00/1442141600.db2.gz PQFQIVDGBJDFNF-UHFFFAOYSA-N -1 1 343.362 2.665 20 10 EFCDMM CC(C)Oc1ccc(NCc2ccccc2O)cc1-c1nnn[n-]1 ZINC000824328877 1447280677 /nfs/dbraw/zinc/28/06/77/1447280677.db2.gz CWQUKRFKOVOBTI-UHFFFAOYSA-N -1 1 325.372 2.972 20 10 EFCDMM C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824618320 1449300853 /nfs/dbraw/zinc/30/08/53/1449300853.db2.gz OGQZQBQPHBUUDL-LBPRGKRZSA-N -1 1 340.406 2.923 20 10 EFCDMM C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824618320 1449300859 /nfs/dbraw/zinc/30/08/59/1449300859.db2.gz OGQZQBQPHBUUDL-LBPRGKRZSA-N -1 1 340.406 2.923 20 10 EFCDMM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000826276813 1449907732 /nfs/dbraw/zinc/90/77/32/1449907732.db2.gz YKFCQOAKSGCXJN-UHFFFAOYSA-N -1 1 333.399 2.558 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(CC(N)=O)Cc2ccccc2)c1[O-] ZINC000177284361 717976501 /nfs/dbraw/zinc/97/65/01/717976501.db2.gz QADWUGYKUUMYAT-UHFFFAOYSA-N -1 1 346.814 2.736 20 10 EFCDMM CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2nnn[n-]2)cc1 ZINC000255557257 715836658 /nfs/dbraw/zinc/83/66/58/715836658.db2.gz JJZXEZBGNLNXCJ-UHFFFAOYSA-N -1 1 336.359 2.933 20 10 EFCDMM CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2nn[n-]n2)cc1 ZINC000255557257 715836660 /nfs/dbraw/zinc/83/66/60/715836660.db2.gz JJZXEZBGNLNXCJ-UHFFFAOYSA-N -1 1 336.359 2.933 20 10 EFCDMM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894429644 722734016 /nfs/dbraw/zinc/73/40/16/722734016.db2.gz NOLOOMHDJRNYRD-OAHLLOKOSA-N -1 1 332.350 2.738 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c2cccnc12 ZINC000917716299 728777266 /nfs/dbraw/zinc/77/72/66/728777266.db2.gz UKSCVGVYWMFHCN-UHFFFAOYSA-N -1 1 330.365 2.750 20 10 EFCDMM CC(C)C[C@@H]1CN(C)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375136 727435584 /nfs/dbraw/zinc/43/55/84/727435584.db2.gz PAYAAWNXSFZGDX-ZQMJAJRESA-N -1 1 347.415 2.859 20 10 EFCDMM Cc1ccc(C)c(OCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916590404 727698868 /nfs/dbraw/zinc/69/88/68/727698868.db2.gz XNPRNVLYGMPOHJ-UHFFFAOYSA-N -1 1 344.363 2.910 20 10 EFCDMM O=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590272 727698935 /nfs/dbraw/zinc/69/89/35/727698935.db2.gz WGBQAOAKRQFNDK-UHFFFAOYSA-N -1 1 325.320 2.548 20 10 EFCDMM Cc1cccc(OCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916617640 727702029 /nfs/dbraw/zinc/70/20/29/727702029.db2.gz QVMVOUAXBZMAPW-UHFFFAOYSA-N -1 1 330.336 2.601 20 10 EFCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1c1ccccc1 ZINC001602188637 971170759 /nfs/dbraw/zinc/17/07/59/971170759.db2.gz HBDLEQXVQGQOLK-UONOGXRCSA-N -1 1 333.334 2.971 20 10 EFCDMM C[C@H](C[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000708107156 954991241 /nfs/dbraw/zinc/99/12/41/954991241.db2.gz XMVZTPQHROKKLV-SSDOTTSWSA-N -1 1 336.613 2.961 20 10 EFCDMM C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715761521 955116485 /nfs/dbraw/zinc/11/64/85/955116485.db2.gz MJVFMAFSBPTVIE-CYBMUJFWSA-N -1 1 332.169 2.733 20 10 EFCDMM C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715761521 955116491 /nfs/dbraw/zinc/11/64/91/955116491.db2.gz MJVFMAFSBPTVIE-CYBMUJFWSA-N -1 1 332.169 2.733 20 10 EFCDMM C[C@]1(C(=O)[O-])CCCN1Cc1cc(Br)cc(F)c1O ZINC000715761521 955116500 /nfs/dbraw/zinc/11/65/00/955116500.db2.gz MJVFMAFSBPTVIE-CYBMUJFWSA-N -1 1 332.169 2.733 20 10 EFCDMM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000831082699 955552513 /nfs/dbraw/zinc/55/25/13/955552513.db2.gz MLHLAFVRWLYAAE-XCBNKYQSSA-N -1 1 347.198 2.752 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000300437315 963006496 /nfs/dbraw/zinc/00/64/96/963006496.db2.gz GPJWUXPAPWQHKR-BHYNMZESSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000300437315 963006511 /nfs/dbraw/zinc/00/65/11/963006511.db2.gz GPJWUXPAPWQHKR-BHYNMZESSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000300437316 963007072 /nfs/dbraw/zinc/00/70/72/963007072.db2.gz GPJWUXPAPWQHKR-WFBYXXMGSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000300437316 963007084 /nfs/dbraw/zinc/00/70/84/963007084.db2.gz GPJWUXPAPWQHKR-WFBYXXMGSA-N -1 1 340.217 2.840 20 10 EFCDMM C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@@H]1C(=O)[O-] ZINC000715790530 969084008 /nfs/dbraw/zinc/08/40/08/969084008.db2.gz UIVTYCBRALGZKC-KWQFWETISA-N -1 1 346.196 2.836 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000842935100 969233356 /nfs/dbraw/zinc/23/33/56/969233356.db2.gz INJDSMIYTRONBH-ONGXEEELSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000842935100 969233364 /nfs/dbraw/zinc/23/33/64/969233364.db2.gz INJDSMIYTRONBH-ONGXEEELSA-N -1 1 325.792 2.933 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000863534745 969310130 /nfs/dbraw/zinc/31/01/30/969310130.db2.gz PZRCFVHDQAOBOW-RNCFNFMXSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000863534745 969310135 /nfs/dbraw/zinc/31/01/35/969310135.db2.gz PZRCFVHDQAOBOW-RNCFNFMXSA-N -1 1 325.792 2.791 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424204 976355448 /nfs/dbraw/zinc/35/54/48/976355448.db2.gz SLXVUZKGIKHJSF-WFBYXXMGSA-N -1 1 340.217 2.840 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424204 976355462 /nfs/dbraw/zinc/35/54/62/976355462.db2.gz SLXVUZKGIKHJSF-WFBYXXMGSA-N -1 1 340.217 2.840 20 10 EFCDMM Cc1cc(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000863474638 979669357 /nfs/dbraw/zinc/66/93/57/979669357.db2.gz QKJOQFZVTISBKL-QAPCUYQASA-N -1 1 332.444 2.659 20 10 EFCDMM CCCN(CC(=O)OC)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001595860549 982795618 /nfs/dbraw/zinc/79/56/18/982795618.db2.gz PXLGDESZDOEYAV-UHFFFAOYSA-N -1 1 331.368 2.629 20 10 EFCDMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593317875 994824256 /nfs/dbraw/zinc/82/42/56/994824256.db2.gz WAWQIJWUZPAOTD-CYBMUJFWSA-N -1 1 330.384 2.665 20 10 EFCDMM COC(=O)C(C)(C)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001598683270 994964892 /nfs/dbraw/zinc/96/48/92/994964892.db2.gz QEOHZHCQBVHBLQ-UHFFFAOYSA-N -1 1 343.807 2.522 20 10 EFCDMM COC(=O)C(C)(C)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001598683270 994964900 /nfs/dbraw/zinc/96/49/00/994964900.db2.gz QEOHZHCQBVHBLQ-UHFFFAOYSA-N -1 1 343.807 2.522 20 10 EFCDMM CO[C@]1(C(=O)[O-])CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC001599079115 996953838 /nfs/dbraw/zinc/95/38/38/996953838.db2.gz OBDVHUIABQDPON-LJQANCHMSA-N -1 1 345.395 2.693 20 10 EFCDMM CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC001599079115 996953847 /nfs/dbraw/zinc/95/38/47/996953847.db2.gz OBDVHUIABQDPON-LJQANCHMSA-N -1 1 345.395 2.693 20 10 EFCDMM COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC001599501604 997131744 /nfs/dbraw/zinc/13/17/44/997131744.db2.gz MVGHQRFGUHIHHP-UHFFFAOYSA-N -1 1 331.343 2.796 20 10 EFCDMM COc1ccc([C@@H](NCc2ccc(N(C)C)c(F)c2)C(=O)[O-])cc1O ZINC001599531760 997667681 /nfs/dbraw/zinc/66/76/81/997667681.db2.gz MNPSGUTWZIRLEZ-QGZVFWFLSA-N -1 1 348.374 2.521 20 10 EFCDMM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001140582482 1092980856 /nfs/dbraw/zinc/98/08/56/1092980856.db2.gz JHRKNRCDBLTDKW-ZYHUDNBSSA-N -1 1 325.277 2.806 20 10 EFCDMM Cc1cc(CNc2ncncc2-c2nn[n-]n2)c(C)n1-c1ccccc1 ZINC001591969989 1093939134 /nfs/dbraw/zinc/93/91/34/1093939134.db2.gz ADQONWULKLPLFU-UHFFFAOYSA-N -1 1 346.398 2.676 20 10 EFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1C1CCC1 ZINC001593376180 1094300734 /nfs/dbraw/zinc/30/07/34/1094300734.db2.gz BIGOCBQACRIAFE-POHAHGRESA-N -1 1 349.466 2.682 20 10 EFCDMM Oc1ccccc1CN(Cc1ccco1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593539763 1094351735 /nfs/dbraw/zinc/35/17/35/1094351735.db2.gz GKJODQKCPKOBJO-UHFFFAOYSA-N -1 1 348.366 2.767 20 10 EFCDMM Oc1ccccc1CN(Cc1ccco1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593539763 1094351745 /nfs/dbraw/zinc/35/17/45/1094351745.db2.gz GKJODQKCPKOBJO-UHFFFAOYSA-N -1 1 348.366 2.767 20 10 EFCDMM Oc1ccc(Cl)cc1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593540241 1094352415 /nfs/dbraw/zinc/35/24/15/1094352415.db2.gz BFTCZGLCCUHGLH-UHFFFAOYSA-N -1 1 343.199 2.948 20 10 EFCDMM Cc1cc(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])ccc1O ZINC001600281961 1094941522 /nfs/dbraw/zinc/94/15/22/1094941522.db2.gz SKAJBEXQLZYGTF-UHFFFAOYSA-N -1 1 341.772 2.853 20 10 EFCDMM Cc1cc([O-])c(C[NH2+][C@H](C[C@H]2CCCOC2)C(=O)[O-])cc1Cl ZINC001600285688 1094945834 /nfs/dbraw/zinc/94/58/34/1094945834.db2.gz GDPZHKIAYCPNIP-BXUZGUMPSA-N -1 1 327.808 2.714 20 10 EFCDMM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001601706732 1095850775 /nfs/dbraw/zinc/85/07/75/1095850775.db2.gz BZBQCUPRKWFNJV-LBPRGKRZSA-N -1 1 325.233 2.509 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccccc1 ZINC001602056929 1096046197 /nfs/dbraw/zinc/04/61/97/1096046197.db2.gz CHXQDQJWGSQJCX-INIZCTEOSA-N -1 1 335.787 2.666 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccccc1 ZINC001602056929 1096046208 /nfs/dbraw/zinc/04/62/08/1096046208.db2.gz CHXQDQJWGSQJCX-INIZCTEOSA-N -1 1 335.787 2.666 20 10 EFCDMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc2c(cc1O)OCO2 ZINC001602174371 1096102795 /nfs/dbraw/zinc/10/27/95/1096102795.db2.gz KMPPWBDZGFYAHF-GJZGRUSLSA-N -1 1 341.363 2.911 20 10 EFCDMM O=C([O-])c1cnc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)s1 ZINC001602518973 1096278582 /nfs/dbraw/zinc/27/85/82/1096278582.db2.gz UOCPEEFQRGYOJG-VIFPVBQESA-N -1 1 340.351 2.815 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CC(=O)[O-])c2ccncc2)c1[O-] ZINC001603102936 1096442061 /nfs/dbraw/zinc/44/20/61/1096442061.db2.gz FKJIOLPELPXZNE-GOSISDBHSA-N -1 1 346.358 2.609 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CC(=O)[O-])c2cccnc2)c1[O-] ZINC001603103868 1096442555 /nfs/dbraw/zinc/44/25/55/1096442555.db2.gz XLVHFSYGUIBUSJ-GOSISDBHSA-N -1 1 346.358 2.609 20 10 EFCDMM C[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001604753628 1096947779 /nfs/dbraw/zinc/94/77/79/1096947779.db2.gz FWNJNPITNVRTIP-JOYOIKCWSA-N -1 1 328.206 2.840 20 10 EFCDMM COc1ccc(N(C)CCN(C)Cc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001607268524 1097580123 /nfs/dbraw/zinc/58/01/23/1097580123.db2.gz ZJRBQVBVGMFHAC-ZHACJKMWSA-N -1 1 344.411 2.954 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccccc1 ZINC001608746614 1098009102 /nfs/dbraw/zinc/00/91/02/1098009102.db2.gz CHXQDQJWGSQJCX-MRXNPFEDSA-N -1 1 335.787 2.666 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccccc1 ZINC001608746614 1098009111 /nfs/dbraw/zinc/00/91/11/1098009111.db2.gz CHXQDQJWGSQJCX-MRXNPFEDSA-N -1 1 335.787 2.666 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccccc1 ZINC001608746614 1098009117 /nfs/dbraw/zinc/00/91/17/1098009117.db2.gz CHXQDQJWGSQJCX-MRXNPFEDSA-N -1 1 335.787 2.666 20 10 EFCDMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001608822993 1098034002 /nfs/dbraw/zinc/03/40/02/1098034002.db2.gz RCUWXORIQGZYKB-DTWKUNHWSA-N -1 1 339.260 2.755 20 10 EFCDMM COc1ccc2c(c1)CCCCN2Cc1nc(-c2nnn[n-]2)cs1 ZINC001609359850 1098266075 /nfs/dbraw/zinc/26/60/75/1098266075.db2.gz QWACQDCXICNSRG-UHFFFAOYSA-N -1 1 342.428 2.675 20 10 EFCDMM COc1ccc2c(c1)CCCCN2Cc1nc(-c2nn[n-]n2)cs1 ZINC001609359850 1098266078 /nfs/dbraw/zinc/26/60/78/1098266078.db2.gz QWACQDCXICNSRG-UHFFFAOYSA-N -1 1 342.428 2.675 20 10 EFCDMM c1sc(COc2ccc(N3CCCC3)cc2)nc1-c1nnn[n-]1 ZINC001609614471 1098401689 /nfs/dbraw/zinc/40/16/89/1098401689.db2.gz SUGBLLFJWPKZMA-UHFFFAOYSA-N -1 1 328.401 2.502 20 10 EFCDMM c1sc(COc2ccc(N3CCCC3)cc2)nc1-c1nn[n-]n1 ZINC001609614471 1098401692 /nfs/dbraw/zinc/40/16/92/1098401692.db2.gz SUGBLLFJWPKZMA-UHFFFAOYSA-N -1 1 328.401 2.502 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@](C)(C(=O)[O-])c2ccc(F)cc2)c1[O-] ZINC001609628782 1098409041 /nfs/dbraw/zinc/40/90/41/1098409041.db2.gz WTXXPFNSQWKPDN-SFHVURJKSA-N -1 1 349.333 2.963 20 10 EFCDMM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001609811150 1098465749 /nfs/dbraw/zinc/46/57/49/1098465749.db2.gz KULJVQIHUWQFOM-AWEZNQCLSA-N -1 1 328.752 2.641 20 10 EFCDMM CCc1cc(CN2CCOC[C@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001610059177 1098533569 /nfs/dbraw/zinc/53/35/69/1098533569.db2.gz UNKMVLLHNNAWNX-OAHLLOKOSA-N -1 1 335.444 2.928 20 10 EFCDMM CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001610237962 1098586363 /nfs/dbraw/zinc/58/63/63/1098586363.db2.gz ROEPKUKUWWWRTR-CMPLNLGQSA-N -1 1 334.199 2.763 20 10 EFCDMM COc1ccc([C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])cc1O ZINC001610326437 1098621523 /nfs/dbraw/zinc/62/15/23/1098621523.db2.gz YAYXEEHPVCKJMS-OAHLLOKOSA-N -1 1 337.759 2.675 20 10 EFCDMM Cc1cc(CN2C[C@H](C)O[C@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC001610459993 1098691079 /nfs/dbraw/zinc/69/10/79/1098691079.db2.gz QKJOQFZVTISBKL-YJBOKZPZSA-N -1 1 332.444 2.659 20 10 EFCDMM COCC1(C(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000837583061 1099291677 /nfs/dbraw/zinc/29/16/77/1099291677.db2.gz VLNWPPPRISLPSH-UHFFFAOYSA-N -1 1 342.233 2.978 20 10 EFCDMM CC(C)(O)c1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905412907 1103156286 /nfs/dbraw/zinc/15/62/86/1103156286.db2.gz DWQJLPMZHIIADG-UHFFFAOYSA-N -1 1 346.156 2.516 20 10 EFCDMM O=C(C[C@H]1CCc2ccccc21)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783681095 1103775898 /nfs/dbraw/zinc/77/58/98/1103775898.db2.gz DTUYDVNJZVRZMN-CYBMUJFWSA-N -1 1 326.348 2.944 20 10 EFCDMM O=C(c1ccco1)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527491 1106183375 /nfs/dbraw/zinc/18/33/75/1106183375.db2.gz WSJAKJYRZNVWEI-UHFFFAOYSA-N -1 1 336.338 2.612 20 10 EFCDMM O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc([O-])c(O)c1 ZINC000783859667 1106421317 /nfs/dbraw/zinc/42/13/17/1106421317.db2.gz USMZNDBKPYQGRO-VXGBXAGGSA-N -1 1 348.301 2.906 20 10 EFCDMM C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)CC[C@]1(C)O ZINC001233027508 1107544407 /nfs/dbraw/zinc/54/44/07/1107544407.db2.gz AOMBPOOPSSPMCQ-OTYXRUKQSA-N -1 1 332.213 2.887 20 10 EFCDMM C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)CC[C@@]1(C)O ZINC001233027511 1107545394 /nfs/dbraw/zinc/54/53/94/1107545394.db2.gz AOMBPOOPSSPMCQ-YMTOWFKASA-N -1 1 332.213 2.887 20 10 EFCDMM C[C@@H](CCOc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783948451 1108855764 /nfs/dbraw/zinc/85/57/64/1108855764.db2.gz WCVTWGOWWDIFKT-ZDUSSCGKSA-N -1 1 344.363 2.929 20 10 EFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000189428125 1119122454 /nfs/dbraw/zinc/12/24/54/1119122454.db2.gz HTIGALXGLSSFBI-UHFFFAOYSA-N -1 1 336.369 2.972 20 10 EFCDMM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000296342803 241083089 /nfs/dbraw/zinc/08/30/89/241083089.db2.gz QKJDJQYDHMJFSJ-SWLSCSKDSA-N -1 1 331.343 2.887 20 10 EFCDMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000297340572 241120961 /nfs/dbraw/zinc/12/09/61/241120961.db2.gz AYFXHQRJGGRGAR-BTDLBPIBSA-N -1 1 349.358 2.752 20 10 EFCDMM COc1ccc(OC)c(CCCNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000295533502 241055401 /nfs/dbraw/zinc/05/54/01/241055401.db2.gz NQFWFYWDLVUJNE-UHFFFAOYSA-N -1 1 349.358 2.617 20 10 EFCDMM COCCn1c(C)c(C)nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000047560617 472731833 /nfs/dbraw/zinc/73/18/33/472731833.db2.gz JEBNXDHFHOSYIW-UHFFFAOYSA-N -1 1 336.413 2.533 20 10 EFCDMM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000188105775 473984802 /nfs/dbraw/zinc/98/48/02/473984802.db2.gz DLXSMSSUTFIGFO-CABZTGNLSA-N -1 1 342.779 2.585 20 10 EFCDMM CC(C)(CO)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000276511539 474565443 /nfs/dbraw/zinc/56/54/43/474565443.db2.gz BHTBAINDYYIWGM-CYBMUJFWSA-N -1 1 347.386 2.769 20 10 EFCDMM CN(c1ccccc1)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000276617795 474568042 /nfs/dbraw/zinc/56/80/42/474568042.db2.gz QJKDASMKJYKODE-UHFFFAOYSA-N -1 1 344.386 2.978 20 10 EFCDMM COc1ccc([C@@H]2CCN(C(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000276661294 474568992 /nfs/dbraw/zinc/56/89/92/474568992.db2.gz YBSLOSPQXXRLAW-GFCCVEGCSA-N -1 1 331.343 2.875 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C)[S@@](=O)CC2)c1[O-] ZINC000277126628 474578192 /nfs/dbraw/zinc/57/81/92/474578192.db2.gz ICRXPEVLSJFFEM-CWKPULSASA-N -1 1 329.849 2.591 20 10 EFCDMM CSC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277407843 474584196 /nfs/dbraw/zinc/58/41/96/474584196.db2.gz KFHVPFNGHSMYEB-MRVPVSSYSA-N -1 1 333.251 2.705 20 10 EFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])C1CCCCC1 ZINC000277420399 474584473 /nfs/dbraw/zinc/58/44/73/474584473.db2.gz ANTYWFRGOUOWAA-UHFFFAOYSA-N -1 1 348.262 2.907 20 10 EFCDMM CC(Cl)(Cl)C(=O)NCc1cccc(Br)c1[O-] ZINC000277442846 474586101 /nfs/dbraw/zinc/58/61/01/474586101.db2.gz FMRBHBJQWVOJCY-UHFFFAOYSA-N -1 1 327.005 2.965 20 10 EFCDMM CC(C)n1ccc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277522755 474588399 /nfs/dbraw/zinc/58/83/99/474588399.db2.gz LVTIHPPWKBWZMK-UHFFFAOYSA-N -1 1 338.205 2.862 20 10 EFCDMM O=C(CC[C@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000277561318 474589669 /nfs/dbraw/zinc/58/96/69/474589669.db2.gz PLAGIJHQYPXTHF-LLVKDONJSA-N -1 1 328.206 2.730 20 10 EFCDMM CCCCO[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277553878 474590488 /nfs/dbraw/zinc/59/04/88/474590488.db2.gz OMVVRFDETZHGJM-JTQLQIEISA-N -1 1 330.222 2.976 20 10 EFCDMM COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280465598 475027707 /nfs/dbraw/zinc/02/77/07/475027707.db2.gz MSANDCGRQDXZQU-GFCCVEGCSA-N -1 1 341.835 2.824 20 10 EFCDMM O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000293785128 475053486 /nfs/dbraw/zinc/05/34/86/475053486.db2.gz CBMGBGWYUPUZES-ZDUSSCGKSA-N -1 1 326.780 2.833 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1O ZINC000281134669 475084341 /nfs/dbraw/zinc/08/43/41/475084341.db2.gz YSDMPMGUICZTSO-KRWDZBQOSA-N -1 1 344.386 2.920 20 10 EFCDMM COCCOc1cc(C)ccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295040922 475099950 /nfs/dbraw/zinc/09/99/50/475099950.db2.gz FXPCQGHGTZLXAN-UHFFFAOYSA-N -1 1 349.358 2.501 20 10 EFCDMM CCOc1c(OC)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000299692674 476147881 /nfs/dbraw/zinc/14/78/81/476147881.db2.gz ZMICALIZKCGBHF-YRNVUSSQSA-N -1 1 325.411 2.591 20 10 EFCDMM COc1c([O-])c(CN2CCOC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000373924441 476440264 /nfs/dbraw/zinc/44/02/64/476440264.db2.gz RXUKCTQRJFPEGM-INIZCTEOSA-N -1 1 344.367 2.883 20 10 EFCDMM COc1c([O-])c(CN2CCOc3cccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000375009238 476632501 /nfs/dbraw/zinc/63/25/01/476632501.db2.gz VBLWDGINGNUVAQ-UHFFFAOYSA-N -1 1 348.330 2.843 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](COC(C)C)C2)c1[O-] ZINC000372127972 477652913 /nfs/dbraw/zinc/65/29/13/477652913.db2.gz IEKFTCUVXPNCOV-OAHLLOKOSA-N -1 1 341.835 2.874 20 10 EFCDMM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000177167215 528767347 /nfs/dbraw/zinc/76/73/47/528767347.db2.gz QKWLVDIKXZEWSG-JTQLQIEISA-N -1 1 347.864 2.503 20 10 EFCDMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000276642375 535130456 /nfs/dbraw/zinc/13/04/56/535130456.db2.gz VBQRGXQBFKXZNR-RISCZKNCSA-N -1 1 325.380 2.951 20 10 EFCDMM C[C@@H]1COCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000753987013 575371091 /nfs/dbraw/zinc/37/10/91/575371091.db2.gz QNUHENCCGHOBGE-AWEZNQCLSA-N -1 1 341.407 2.797 20 10 EFCDMM C[C@@H]1COCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000753987013 575371093 /nfs/dbraw/zinc/37/10/93/575371093.db2.gz QNUHENCCGHOBGE-AWEZNQCLSA-N -1 1 341.407 2.797 20 10 EFCDMM C[C@@H](N[C@H](C)c1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000756535704 575756598 /nfs/dbraw/zinc/75/65/98/575756598.db2.gz PWMXTLZYAUBSNV-HTQZYQBOSA-N -1 1 343.200 2.834 20 10 EFCDMM COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756713153 575780072 /nfs/dbraw/zinc/78/00/72/575780072.db2.gz VENSCJVSEHZSHU-XHDPSFHLSA-N -1 1 332.356 2.693 20 10 EFCDMM COc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1-n1cnnn1 ZINC000757615087 575845381 /nfs/dbraw/zinc/84/53/81/575845381.db2.gz WDCNICWJCIQCRR-SECBINFHSA-N -1 1 347.325 2.828 20 10 EFCDMM O=S1(=O)CC[C@H](CC[N@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC000760856754 576081360 /nfs/dbraw/zinc/08/13/60/576081360.db2.gz MNZMKVPISCWQLY-HNNXBMFYSA-N -1 1 349.452 2.812 20 10 EFCDMM O=C(NCc1nccs1)NCc1cccc(Br)c1[O-] ZINC000764766299 576500845 /nfs/dbraw/zinc/50/08/45/576500845.db2.gz ZLQHTHREFZXEQA-UHFFFAOYSA-N -1 1 342.218 2.611 20 10 EFCDMM COC1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765727711 577070796 /nfs/dbraw/zinc/07/07/96/577070796.db2.gz NXHMHLFGDHZNNR-UHFFFAOYSA-N -1 1 342.233 2.976 20 10 EFCDMM C[C@@H](OCC1CC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765731697 577071218 /nfs/dbraw/zinc/07/12/18/577071218.db2.gz KJIQDSYCSPZWPO-SECBINFHSA-N -1 1 328.206 2.586 20 10 EFCDMM O=C(CCC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000765750710 577072549 /nfs/dbraw/zinc/07/25/49/577072549.db2.gz KISDYUNVHSLXOO-UHFFFAOYSA-N -1 1 342.233 2.978 20 10 EFCDMM O=C(/C=C\C1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000765752554 577072856 /nfs/dbraw/zinc/07/28/56/577072856.db2.gz XIYKVEBDEZBXLK-PLNGDYQASA-N -1 1 340.217 2.754 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1[nH]nc2ccccc21 ZINC000765758378 577073414 /nfs/dbraw/zinc/07/34/14/577073414.db2.gz VUFFXSLEILZDDZ-UHFFFAOYSA-N -1 1 346.184 2.961 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccn(C(F)F)n1 ZINC000765768204 577074328 /nfs/dbraw/zinc/07/43/28/577074328.db2.gz HQULZCWWSJPTGJ-UHFFFAOYSA-N -1 1 346.131 2.676 20 10 EFCDMM C[C@H](NCc1nnnn1CC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000769987987 577396569 /nfs/dbraw/zinc/39/65/69/577396569.db2.gz LPZPDSVZWHNDSL-QMMMGPOBSA-N -1 1 342.230 2.946 20 10 EFCDMM CCc1nc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cs1 ZINC000774859850 581502595 /nfs/dbraw/zinc/50/25/95/581502595.db2.gz VWIVEPZMIGYCIU-UHFFFAOYSA-N -1 1 337.401 2.960 20 10 EFCDMM O=C([O-])c1coc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000740268672 600314124 /nfs/dbraw/zinc/31/41/24/600314124.db2.gz JMURTGMZCGPFEN-OAHLLOKOSA-N -1 1 331.368 2.865 20 10 EFCDMM CCc1cc(C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000830218636 601376632 /nfs/dbraw/zinc/37/66/32/601376632.db2.gz GIDFHSCWCXEJLQ-HNNXBMFYSA-N -1 1 335.444 2.928 20 10 EFCDMM CCc1cc(CN2CCO[C@@H](CC(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000830218636 601376635 /nfs/dbraw/zinc/37/66/35/601376635.db2.gz GIDFHSCWCXEJLQ-HNNXBMFYSA-N -1 1 335.444 2.928 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CC(=O)[O-])CC2)c1[O-] ZINC000825946724 601413042 /nfs/dbraw/zinc/41/30/42/601413042.db2.gz NRHACMVPRSGEOS-UHFFFAOYSA-N -1 1 325.792 2.935 20 10 EFCDMM Cn1c(-c2ccccc2)cnc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826354755 607538221 /nfs/dbraw/zinc/53/82/21/607538221.db2.gz TUOGAKSKACKGEU-UHFFFAOYSA-N -1 1 349.423 2.955 20 10 EFCDMM Cn1c(-c2ccccc2)cnc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826354755 607538222 /nfs/dbraw/zinc/53/82/22/607538222.db2.gz TUOGAKSKACKGEU-UHFFFAOYSA-N -1 1 349.423 2.955 20 10 EFCDMM CCOC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC001118224930 1262059583 /nfs/dbraw/zinc/05/95/83/1262059583.db2.gz TZJPCXJLEBWGNW-CQSZACIVSA-N -1 1 325.792 2.680 20 10 EFCDMM Cn1ccnc1[C@@H](NCc1cc(Cl)cc(F)c1[O-])C(C)(C)CO ZINC000824673415 1278239611 /nfs/dbraw/zinc/23/96/11/1278239611.db2.gz SPBRBARJNOPOON-CQSZACIVSA-N -1 1 341.814 2.768 20 10 EFCDMM CC[C@H](Oc1ccccc1F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786531995 1275421097 /nfs/dbraw/zinc/42/10/97/1275421097.db2.gz YLIOLTOCAXJLSI-INIZCTEOSA-N -1 1 348.326 2.820 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(Cl)cn1 ZINC000787921810 1275972802 /nfs/dbraw/zinc/97/28/02/1275972802.db2.gz HXYARFJBKDHLID-UHFFFAOYSA-N -1 1 342.580 2.528 20 10 EFCDMM O=C(CNc1ncnc2cc(F)c(F)cc21)c1ccc([O-])c(O)c1 ZINC001170313700 1279008092 /nfs/dbraw/zinc/00/80/92/1279008092.db2.gz CCYUMBKPCYMQAH-UHFFFAOYSA-N -1 1 331.278 2.614 20 10 EFCDMM Cc1c(NCC(=O)c2ccc([O-])c(O)c2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170314550 1279009214 /nfs/dbraw/zinc/00/92/14/1279009214.db2.gz DCDQPRRHFATPMC-UHFFFAOYSA-N -1 1 347.283 2.517 20 10 EFCDMM O=C(CNc1ccc2ccc(Cl)nc2n1)c1ccc([O-])c(O)c1 ZINC001170316731 1279010137 /nfs/dbraw/zinc/01/01/37/1279010137.db2.gz LRTBHLRUJXVHKM-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM COc1cc(C(F)(F)F)cc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170314247 1279010390 /nfs/dbraw/zinc/01/03/90/1279010390.db2.gz UMUIISPMKPCONT-UHFFFAOYSA-N -1 1 342.273 2.815 20 10 EFCDMM CCOC(=O)c1ccc(OC)c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170320522 1279012714 /nfs/dbraw/zinc/01/27/14/1279012714.db2.gz FIPIHFMVUIMNBZ-UHFFFAOYSA-N -1 1 345.351 2.578 20 10 EFCDMM CC1(C)Cc2c(NCC(=O)c3ccc([O-])c(O)c3)cccc2NC1=O ZINC001170320956 1279013680 /nfs/dbraw/zinc/01/36/80/1279013680.db2.gz RLQREUFILAOYPS-UHFFFAOYSA-N -1 1 340.379 2.913 20 10 EFCDMM O=C(CNc1ccc2c(c1)C(=O)N(C1CC1)C2)c1ccc([O-])c(O)c1 ZINC001170323042 1279015399 /nfs/dbraw/zinc/01/53/99/1279015399.db2.gz UXPLGEUDQJDOHC-UHFFFAOYSA-N -1 1 338.363 2.511 20 10 EFCDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000788749618 1276288366 /nfs/dbraw/zinc/28/83/66/1276288366.db2.gz XLWNPSVFZCLFIQ-UHFFFAOYSA-N -1 1 349.408 2.987 20 10 EFCDMM COc1ccc(N2CC[C@H](CNC(=O)c3c([O-])cccc3F)C2)cc1 ZINC000819589490 1276830903 /nfs/dbraw/zinc/83/09/03/1276830903.db2.gz RRGUSFPLSNYXJW-CYBMUJFWSA-N -1 1 344.386 2.796 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC=C(c2ccc(O)cc2)CC1 ZINC000789955248 1277115016 /nfs/dbraw/zinc/11/50/16/1277115016.db2.gz VYZFPFUGYUPEQY-UHFFFAOYSA-N -1 1 329.327 2.872 20 10 EFCDMM O=C(NCc1coc(-c2cccs2)n1)c1c(F)ccc(O)c1[O-] ZINC000789963859 1277125286 /nfs/dbraw/zinc/12/52/86/1277125286.db2.gz HPNRXFIOXFZMGX-UHFFFAOYSA-N -1 1 334.328 2.883 20 10 EFCDMM COc1ccc(CC[C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789963987 1277125435 /nfs/dbraw/zinc/12/54/35/1277125435.db2.gz JQLNFAFHYZLPST-LLVKDONJSA-N -1 1 333.359 2.997 20 10 EFCDMM CC[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])Oc1cccc(F)c1 ZINC000789989667 1277151505 /nfs/dbraw/zinc/15/15/05/1277151505.db2.gz KTQHBJLYORKISV-NSHDSACASA-N -1 1 337.322 2.963 20 10 EFCDMM Cn1c(=O)n(C)c2cc(NCc3c([O-])ccc(Cl)c3F)ccc21 ZINC000790963983 1277882928 /nfs/dbraw/zinc/88/29/28/1277882928.db2.gz GPISRKJZRUEOCG-UHFFFAOYSA-N -1 1 335.766 2.987 20 10 EFCDMM COc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000792702148 1279127232 /nfs/dbraw/zinc/12/72/32/1279127232.db2.gz NTDBTEDAZVDHRS-UHFFFAOYSA-N -1 1 325.411 2.924 20 10 EFCDMM CC[C@@H](C)[C@H](OC)C(=O)NCc1cccc(Br)c1[O-] ZINC000793973097 1279965871 /nfs/dbraw/zinc/96/58/71/1279965871.db2.gz YGNWHCPRNGZNCE-RNCFNFMXSA-N -1 1 330.222 2.832 20 10 EFCDMM CCN(CC)c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001148279225 1281491834 /nfs/dbraw/zinc/49/18/34/1281491834.db2.gz ITDVMSIYXMGHAT-UHFFFAOYSA-N -1 1 342.395 2.557 20 10 EFCDMM Cc1cc(=O)n(-c2ccc(C(=O)N3CCc4cccc(O)c4C3)cc2)[n-]1 ZINC001148333053 1281502418 /nfs/dbraw/zinc/50/24/18/1281502418.db2.gz LKOYQBJDDSECDF-UHFFFAOYSA-N -1 1 349.390 2.703 20 10 EFCDMM O=C(COC(=O)c1cncc(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000808620047 1281805199 /nfs/dbraw/zinc/80/51/99/1281805199.db2.gz OBZQKVJLDGULGN-UHFFFAOYSA-N -1 1 341.241 2.551 20 10 EFCDMM O=C(Cc1cccc(Cl)c1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000811335169 1284242832 /nfs/dbraw/zinc/24/28/32/1284242832.db2.gz UGLVSXNVFTYSHX-UHFFFAOYSA-N -1 1 338.718 2.859 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCSC1 ZINC000811459361 1284332487 /nfs/dbraw/zinc/33/24/87/1284332487.db2.gz DRJIGZCATXUUCK-JTQLQIEISA-N -1 1 330.247 2.914 20 10 EFCDMM O=C1NCCN(Cc2cccc(Br)c2[O-])c2ccccc21 ZINC000811508591 1284387516 /nfs/dbraw/zinc/38/75/16/1284387516.db2.gz YJYUBPVCFUMTEG-UHFFFAOYSA-N -1 1 347.212 2.905 20 10 EFCDMM COC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000813604022 1286019962 /nfs/dbraw/zinc/01/99/62/1286019962.db2.gz RPRUJWXLSATFSO-UHFFFAOYSA-N -1 1 337.173 2.948 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NCC1CC(F)(F)C1 ZINC000813770700 1286108150 /nfs/dbraw/zinc/10/81/50/1286108150.db2.gz JLNHVUNPARITGH-UHFFFAOYSA-N -1 1 349.175 2.999 20 10 EFCDMM Cn1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)ccc1=O ZINC001174361065 1286988768 /nfs/dbraw/zinc/98/87/68/1286988768.db2.gz YXBBOXTYLDCFIB-UHFFFAOYSA-N -1 1 346.342 2.610 20 10 EFCDMM C[C@H]1CSC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000805789988 1289011800 /nfs/dbraw/zinc/01/18/00/1289011800.db2.gz PIFHEESSYOCCKQ-KWQFWETISA-N -1 1 345.262 2.705 20 10 EFCDMM CSc1nc(NC(=O)C=Cc2ccc(N(C)C)cc2)cc(=O)[n-]1 ZINC001180122875 1289425555 /nfs/dbraw/zinc/42/55/55/1289425555.db2.gz IGNLIJBAAWGOBL-RMKNXTFCSA-N -1 1 330.413 2.622 20 10 EFCDMM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC001203582071 1290417584 /nfs/dbraw/zinc/41/75/84/1290417584.db2.gz PCRNDRANWOZKFH-PJXYFTJBSA-N -1 1 330.211 2.940 20 10 EFCDMM O=C(CCCCOc1ccccc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001184370611 1290456958 /nfs/dbraw/zinc/45/69/58/1290456958.db2.gz QJFKECRXCCOXRE-UHFFFAOYSA-N -1 1 343.379 2.646 20 10 EFCDMM CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])C(=O)OC(C)(C)C ZINC000775050842 1291018901 /nfs/dbraw/zinc/01/89/01/1291018901.db2.gz JABMKDJVCPOCKE-LLVKDONJSA-N -1 1 340.376 2.519 20 10 EFCDMM C[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@@]1(O)C(F)(F)F ZINC001233074656 1312848902 /nfs/dbraw/zinc/84/89/02/1312848902.db2.gz ROWVGZQAKSCBOC-OQPBUACISA-N -1 1 325.277 2.806 20 10 EFCDMM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CC[C@@]1(O)C(F)(F)F ZINC001233074222 1312849636 /nfs/dbraw/zinc/84/96/36/1312849636.db2.gz LFHROTQTWDENSZ-SDBXPKJASA-N -1 1 325.277 2.806 20 10 EFCDMM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1cc(F)c([O-])c(F)c1 ZINC001189309114 1291666900 /nfs/dbraw/zinc/66/69/00/1291666900.db2.gz JGIZXBCDURTXPQ-UHFFFAOYSA-N -1 1 335.278 2.891 20 10 EFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC(F)CC2)c1 ZINC001233306239 1312899035 /nfs/dbraw/zinc/89/90/35/1312899035.db2.gz KLSGNHBSHQKNEK-UHFFFAOYSA-N -1 1 346.196 2.875 20 10 EFCDMM COc1ccccc1CN1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334319 1312905611 /nfs/dbraw/zinc/90/56/11/1312905611.db2.gz BSRPGGOWNXDVIQ-UHFFFAOYSA-N -1 1 348.393 2.997 20 10 EFCDMM O=C(NCc1ccco1)C12CC(C1)CN2Cc1c([O-])ccc(F)c1F ZINC001233333752 1312906574 /nfs/dbraw/zinc/90/65/74/1312906574.db2.gz GSDKSJJGNUTFKN-UHFFFAOYSA-N -1 1 348.349 2.544 20 10 EFCDMM CCn1cc2c(n1)CN(Cc1c([O-])ccc(F)c1F)C[C@H]2COC ZINC001233333332 1312906823 /nfs/dbraw/zinc/90/68/23/1312906823.db2.gz RVKAPIKSHVFOFV-NSHDSACASA-N -1 1 337.370 2.633 20 10 EFCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@@H]1F ZINC001233335491 1312906912 /nfs/dbraw/zinc/90/69/12/1312906912.db2.gz XNEQAGILXWBNKB-NWDGAFQWSA-N -1 1 346.349 2.717 20 10 EFCDMM CC(F)(F)c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001190517311 1292196123 /nfs/dbraw/zinc/19/61/23/1292196123.db2.gz WBLJMWOFGXUESA-UHFFFAOYSA-N -1 1 335.306 2.822 20 10 EFCDMM O=C1CN(Cc2cccc(C(F)(F)F)c2[O-])CC2(CCCC2)N1 ZINC001233419705 1312928564 /nfs/dbraw/zinc/92/85/64/1312928564.db2.gz JIDQNIWCMQJREL-UHFFFAOYSA-N -1 1 328.334 2.656 20 10 EFCDMM COC(=O)CC[C@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233420074 1312928824 /nfs/dbraw/zinc/92/88/24/1312928824.db2.gz YQSXJWDSVCTGKE-LBPRGKRZSA-N -1 1 347.333 2.565 20 10 EFCDMM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418712 1312929187 /nfs/dbraw/zinc/92/91/87/1312929187.db2.gz RZQNDHGOLJXQCO-ZDUSSCGKSA-N -1 1 345.317 2.508 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@@H](C)OC[C@H](C)OC ZINC001233496671 1312942721 /nfs/dbraw/zinc/94/27/21/1312942721.db2.gz ZACWYHDIKNMJCM-NWDGAFQWSA-N -1 1 326.389 2.899 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@@H](C)OC[C@@H](C)OC ZINC001233496673 1312942997 /nfs/dbraw/zinc/94/29/97/1312942997.db2.gz ZACWYHDIKNMJCM-VXGBXAGGSA-N -1 1 326.389 2.899 20 10 EFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CCN(CCF)CC1 ZINC001233499330 1312944327 /nfs/dbraw/zinc/94/43/27/1312944327.db2.gz YFYIQNQQZLUQDS-UHFFFAOYSA-N -1 1 325.380 2.893 20 10 EFCDMM O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193231991 1293205235 /nfs/dbraw/zinc/20/52/35/1293205235.db2.gz DPZBRZDUIZIZPN-UHFFFAOYSA-N -1 1 344.758 2.643 20 10 EFCDMM Cc1cccnc1O[C@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193232989 1293207867 /nfs/dbraw/zinc/20/78/67/1293207867.db2.gz TUUNMONFDQQZKJ-NSHDSACASA-N -1 1 348.786 2.748 20 10 EFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCO[C@H](c2ccccc2)C1 ZINC001193225019 1293223083 /nfs/dbraw/zinc/22/30/83/1293223083.db2.gz FWKKKIYMTSYHPM-AWEZNQCLSA-N -1 1 333.771 2.965 20 10 EFCDMM CN1Cc2c(NC(=O)c3ccc(O)c([O-])c3Cl)cccc2NC1=O ZINC001193230070 1293225490 /nfs/dbraw/zinc/22/54/90/1293225490.db2.gz PTVGWPOUQLQKSI-UHFFFAOYSA-N -1 1 347.758 2.981 20 10 EFCDMM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1ncnn1C ZINC000883101833 1293462210 /nfs/dbraw/zinc/46/22/10/1293462210.db2.gz WZRWAVRHGWCNGP-SSDOTTSWSA-N -1 1 345.628 2.787 20 10 EFCDMM Cc1cccc(NC(=S)NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001196440237 1294232889 /nfs/dbraw/zinc/23/28/89/1294232889.db2.gz VALCWTOLJZCELF-UHFFFAOYSA-N -1 1 330.409 2.884 20 10 EFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H](C)[S@@]1=O ZINC000796368707 1294570663 /nfs/dbraw/zinc/57/06/63/1294570663.db2.gz WIGSUSCRNCYNAX-OIAWAGMISA-N -1 1 343.876 2.980 20 10 EFCDMM O=S(=O)(Cc1ccccn1)[N-]c1ccc(O)cc1C(F)(F)F ZINC001197828683 1294757836 /nfs/dbraw/zinc/75/78/36/1294757836.db2.gz AKIJHEXUOXFGRG-UHFFFAOYSA-N -1 1 332.303 2.748 20 10 EFCDMM [O-]c1c(Br)cc(F)cc1CN1CCN(C2CC2)CC1 ZINC001235298403 1313284919 /nfs/dbraw/zinc/28/49/19/1313284919.db2.gz SBWLBBOWSKJSCM-UHFFFAOYSA-N -1 1 329.213 2.574 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CC(O)(C(F)(F)F)C2)c1 ZINC001236662350 1313504688 /nfs/dbraw/zinc/50/46/88/1313504688.db2.gz CPKVRDGPIIMYNP-UHFFFAOYSA-N -1 1 340.139 2.572 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCCC(=O)[C@@H](F)C2)c1 ZINC001236662622 1313505112 /nfs/dbraw/zinc/50/51/12/1313505112.db2.gz GFZWFPYSGRGVLV-LBPRGKRZSA-N -1 1 330.197 2.966 20 10 EFCDMM CS(=O)(=O)C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236795580 1313530523 /nfs/dbraw/zinc/53/05/23/1313530523.db2.gz GYOMZKROTIJDJY-UHFFFAOYSA-N -1 1 338.256 2.708 20 10 EFCDMM COc1cc([O-])c(CN2CCN(c3ccccc3)C(=O)C2)c(Cl)c1 ZINC001236797838 1313531154 /nfs/dbraw/zinc/53/11/54/1313531154.db2.gz BHEVEVBSEJTPBD-UHFFFAOYSA-N -1 1 346.814 2.903 20 10 EFCDMM COC(=O)CC[C@H]1COCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236801645 1313531519 /nfs/dbraw/zinc/53/15/19/1313531519.db2.gz DETIZVRSGJOCRD-NSHDSACASA-N -1 1 348.226 2.853 20 10 EFCDMM [O-]c1c(CN2CCN[C@H](C(F)(F)F)C2)cccc1C(F)(F)F ZINC001236994243 1313568283 /nfs/dbraw/zinc/56/82/83/1313568283.db2.gz ACCLPFKOUBBNSF-JTQLQIEISA-N -1 1 328.256 2.747 20 10 EFCDMM CCOC(=O)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237080487 1313583318 /nfs/dbraw/zinc/58/33/18/1313583318.db2.gz DHWVTFLZNBAUIZ-UHFFFAOYSA-N -1 1 333.215 2.973 20 10 EFCDMM CC(=O)N1CCC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001237081697 1313583804 /nfs/dbraw/zinc/58/38/04/1313583804.db2.gz SEOPZDVTMAIZCG-UHFFFAOYSA-N -1 1 329.227 2.753 20 10 EFCDMM CC(C)C(=O)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237087044 1313583952 /nfs/dbraw/zinc/58/39/52/1313583952.db2.gz SPDLVZYSWKNZPQ-UHFFFAOYSA-N -1 1 331.243 2.999 20 10 EFCDMM C[C@H]1CN(C2CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C[C@H](C)O1 ZINC001237086731 1313583986 /nfs/dbraw/zinc/58/39/86/1313583986.db2.gz OCLZMBLIOHNJQT-QWRGUYRKSA-N -1 1 345.270 2.992 20 10 EFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(Cc2ccncc2)CC1 ZINC001237125964 1313591198 /nfs/dbraw/zinc/59/11/98/1313591198.db2.gz WRIFDBINTMHDMS-UHFFFAOYSA-N -1 1 335.810 2.898 20 10 EFCDMM C[C@@H]1CC(=O)CCN1Cc1cccc(I)c1[O-] ZINC001237777932 1313704290 /nfs/dbraw/zinc/70/42/90/1313704290.db2.gz QHJCYCAZKSIPNB-SECBINFHSA-N -1 1 345.180 2.550 20 10 EFCDMM O=C(Cc1ccsc1)N1CCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001276537944 1313705402 /nfs/dbraw/zinc/70/54/02/1313705402.db2.gz RHITTXTWUSPJFC-UHFFFAOYSA-N -1 1 346.427 2.622 20 10 EFCDMM CCOC(=O)[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCS1 ZINC001237939370 1313733729 /nfs/dbraw/zinc/73/37/29/1313733729.db2.gz BIIFYUZAYNADMD-ZDUSSCGKSA-N -1 1 333.812 2.665 20 10 EFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(Cc2ccccn2)CC1 ZINC001237936831 1313734001 /nfs/dbraw/zinc/73/40/01/1313734001.db2.gz GCKKPUGVMARDBR-UHFFFAOYSA-N -1 1 335.810 2.898 20 10 EFCDMM CCOC(=O)[C@H]1CSCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237940789 1313734487 /nfs/dbraw/zinc/73/44/87/1313734487.db2.gz NIWCICGFXJWUOL-GFCCVEGCSA-N -1 1 333.812 2.665 20 10 EFCDMM CCCSC[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864506418 1302954097 /nfs/dbraw/zinc/95/40/97/1302954097.db2.gz PQTLAUZIDSPKGY-NSHDSACASA-N -1 1 348.262 2.841 20 10 EFCDMM CCn1ncnc1CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000794842596 1303283285 /nfs/dbraw/zinc/28/32/85/1303283285.db2.gz RGWSJOSZDHNYMV-QMMMGPOBSA-N -1 1 343.200 2.756 20 10 EFCDMM COC(C)(C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000868994903 1304567149 /nfs/dbraw/zinc/56/71/49/1304567149.db2.gz WPBYXNSMEQASMO-UHFFFAOYSA-N -1 1 345.237 2.769 20 10 EFCDMM COc1cccc([O-])c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000900895075 1308849491 /nfs/dbraw/zinc/84/94/91/1308849491.db2.gz LKQDLNZBFIUURC-UHFFFAOYSA-N -1 1 328.368 2.506 20 10 EFCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1cnc(C2CC2)[n-]c1=O ZINC000901131818 1309562796 /nfs/dbraw/zinc/56/27/96/1309562796.db2.gz PBZACLVCIGDROM-UHFFFAOYSA-N -1 1 339.395 2.574 20 10 EFCDMM CO[C@H](CC(C)C)CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901962900 1311246574 /nfs/dbraw/zinc/24/65/74/1311246574.db2.gz NJXBTLQFNCPGPY-SECBINFHSA-N -1 1 339.816 2.988 20 10 EFCDMM CO[C@@H](CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000901962402 1311246807 /nfs/dbraw/zinc/24/68/07/1311246807.db2.gz HBEFIMANVUHNNF-LBPRGKRZSA-N -1 1 325.789 2.597 20 10 EFCDMM Cn1nc(C2CC2)cc1S(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901963596 1311247659 /nfs/dbraw/zinc/24/76/59/1311247659.db2.gz VTBLLPQDKJXSGX-UHFFFAOYSA-N -1 1 345.783 2.596 20 10 EFCDMM CCOc1ccc2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001159278996 1311484379 /nfs/dbraw/zinc/48/43/79/1311484379.db2.gz IDPYMUAGVWPPGM-UHFFFAOYSA-N -1 1 339.351 2.735 20 10 EFCDMM O=C(CNc1ccc2nccc(Cl)c2n1)c1ccc([O-])c(O)c1 ZINC001159278879 1311484439 /nfs/dbraw/zinc/48/44/39/1311484439.db2.gz FHVUGWPKYQRNIW-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1ncc2cc(Cl)ccc2n1)c1ccc([O-])c(O)c1 ZINC001159279771 1311484876 /nfs/dbraw/zinc/48/48/76/1311484876.db2.gz YBFVDMASUZFYEZ-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1nccc2cc([N+](=O)[O-])ccc21)c1ccc([O-])c(O)c1 ZINC001159280398 1311485013 /nfs/dbraw/zinc/48/50/13/1311485013.db2.gz OZMVMTQMMROLOW-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM O=C(CNc1ccc(-c2cccc(F)c2)nn1)c1ccc([O-])c(O)c1 ZINC001159280273 1311485434 /nfs/dbraw/zinc/48/54/34/1311485434.db2.gz JENWZCJONOTKLD-UHFFFAOYSA-N -1 1 339.326 2.989 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1CCOC[C@@H]1F ZINC001227576681 1311823998 /nfs/dbraw/zinc/82/39/98/1311823998.db2.gz DEIVHMYERAGECP-DZGCQCFKSA-N -1 1 342.322 2.673 20 10 EFCDMM C[C@@H]1COCC[C@@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227576667 1311824171 /nfs/dbraw/zinc/82/41/71/1311824171.db2.gz CXQYOQPUHBQABC-BZNIZROVSA-N -1 1 338.359 2.971 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1CCOC[C@H]1F ZINC001227576683 1311824215 /nfs/dbraw/zinc/82/42/15/1311824215.db2.gz DEIVHMYERAGECP-HIFRSBDPSA-N -1 1 342.322 2.673 20 10 EFCDMM CC(C)OCCOc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580401 1311824753 /nfs/dbraw/zinc/82/47/53/1311824753.db2.gz OOFGJLQOUAYEBD-UHFFFAOYSA-N -1 1 326.348 2.971 20 10 EFCDMM NC(=O)NC(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000802660856 1311895993 /nfs/dbraw/zinc/89/59/93/1311895993.db2.gz XYNXGMQQKQUBKV-UHFFFAOYSA-N -1 1 337.738 2.605 20 10 EFCDMM CCO[C@@H](C)COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228110230 1311900607 /nfs/dbraw/zinc/90/06/07/1311900607.db2.gz HYBLUHCEEWBZHU-NSHDSACASA-N -1 1 332.352 2.838 20 10 EFCDMM CCOC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228113050 1311901149 /nfs/dbraw/zinc/90/11/49/1311901149.db2.gz CJZYQAVUPBZXHW-LLVKDONJSA-N -1 1 332.352 2.838 20 10 EFCDMM CCN(C(=O)c1n[nH]c2c1CN(Cc1c([O-])cccc1F)C2)C(C)C ZINC001277488714 1312437958 /nfs/dbraw/zinc/43/79/58/1312437958.db2.gz FQBNXWRAXARMPE-UHFFFAOYSA-N -1 1 346.406 2.641 20 10 EFCDMM C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231455040 1312501206 /nfs/dbraw/zinc/50/12/06/1312501206.db2.gz VJINBWOQNYEYDY-UHFFFAOYSA-N -1 1 337.379 2.908 20 10 EFCDMM CC(=O)c1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231455425 1312501507 /nfs/dbraw/zinc/50/15/07/1312501507.db2.gz NIUIGZXQFKVJHT-UHFFFAOYSA-N -1 1 325.364 2.851 20 10 EFCDMM O=C([O-])COc1ccccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001231793754 1312567552 /nfs/dbraw/zinc/56/75/52/1312567552.db2.gz IRYVLNSRRYCQAL-UHFFFAOYSA-N -1 1 343.379 2.510 20 10 EFCDMM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc2ccccc2c1O ZINC001231880547 1312580154 /nfs/dbraw/zinc/58/01/54/1312580154.db2.gz HNQCRIJOAUGKON-OSYLJGHBSA-N -1 1 341.407 2.698 20 10 EFCDMM O=C1CN(Cc2cc(Cl)c([O-])cc2O)CCN1c1ccccc1 ZINC001232266919 1312662380 /nfs/dbraw/zinc/66/23/80/1312662380.db2.gz FTZMRHRXSPCVPJ-UHFFFAOYSA-N -1 1 332.787 2.600 20 10 EFCDMM C[C@H](NC(=S)NCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC001245551091 1314506221 /nfs/dbraw/zinc/50/62/21/1314506221.db2.gz XCIJLCGWZWZRPB-NSHDSACASA-N -1 1 330.409 2.506 20 10 EFCDMM CC(=O)c1ccc(F)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215327436 1314816079 /nfs/dbraw/zinc/81/60/79/1314816079.db2.gz AXNYABTWIGEPEE-UHFFFAOYSA-N -1 1 330.271 2.862 20 10 EFCDMM COc1cc(OC)c(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)cn1 ZINC001216953266 1315025148 /nfs/dbraw/zinc/02/51/48/1315025148.db2.gz FOAJBXHKNSFAIK-UHFFFAOYSA-N -1 1 349.730 2.880 20 10 EFCDMM [O-]c1ccc(-c2nc(-c3ccccc3)no2)cc1CN1CCOCC1 ZINC001217054735 1315032850 /nfs/dbraw/zinc/03/28/50/1315032850.db2.gz JPMSRYBIWVRPOY-UHFFFAOYSA-N -1 1 337.379 2.941 20 10 EFCDMM Cc1c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cnn1C ZINC001251383872 1315344661 /nfs/dbraw/zinc/34/46/61/1315344661.db2.gz KNWWBKHHLPBQIL-UHFFFAOYSA-N -1 1 336.200 2.542 20 10 EFCDMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1cccc(OC(F)F)c1 ZINC001259444940 1316244032 /nfs/dbraw/zinc/24/40/32/1316244032.db2.gz NGNGEAFBXNDTDS-UHFFFAOYSA-N -1 1 333.287 2.934 20 10 EFCDMM O=S(=O)(CCc1cccc(F)c1)Nc1ccc([O-])c(F)c1F ZINC001259772703 1316276061 /nfs/dbraw/zinc/27/60/61/1316276061.db2.gz NPUKQIDCDLVRQX-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM O=S(=O)(CCc1ccccc1F)Nc1cc(F)c([O-])c(F)c1 ZINC001259786286 1316278499 /nfs/dbraw/zinc/27/84/99/1316278499.db2.gz PSBVFXOBPILNFE-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM COc1ccc(CS(=O)(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001259898855 1316294300 /nfs/dbraw/zinc/29/43/00/1316294300.db2.gz DMZPCZLRYOVWAL-UHFFFAOYSA-N -1 1 327.789 2.996 20 10 EFCDMM O=S(=O)([N-]c1ccc(O)c(F)c1F)c1c(F)cc(F)cc1F ZINC001260352920 1316333548 /nfs/dbraw/zinc/33/35/48/1316333548.db2.gz GBQPSTGLJDDXDC-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(O)c1 ZINC001260357127 1316334414 /nfs/dbraw/zinc/33/44/14/1316334414.db2.gz MNIVHXXKJNMIGE-UHFFFAOYSA-N -1 1 345.342 2.905 20 10 EFCDMM Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)c1O ZINC001260441133 1316338902 /nfs/dbraw/zinc/33/89/02/1316338902.db2.gz PXWWWRRHXVJXFD-UHFFFAOYSA-N -1 1 339.760 2.691 20 10 EFCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC001260452947 1316339770 /nfs/dbraw/zinc/33/97/70/1316339770.db2.gz HGACRVUMTGKCSB-UHFFFAOYSA-N -1 1 344.392 2.660 20 10 EFCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(Cl)c2nonc21 ZINC001261071208 1316388256 /nfs/dbraw/zinc/38/82/56/1316388256.db2.gz RIBGXPZDYCBBJT-UHFFFAOYSA-N -1 1 343.723 2.522 20 10 EFCDMM CCOc1cccc(NC(=S)NN=c2nc(OC)cc(C)[n-]2)c1 ZINC000747654053 1324582778 /nfs/dbraw/zinc/58/27/78/1324582778.db2.gz JBVZNJDFZFKQHW-UHFFFAOYSA-N -1 1 333.417 2.506 20 10 EFCDMM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)cc1F ZINC000904049060 1324862360 /nfs/dbraw/zinc/86/23/60/1324862360.db2.gz VPCAWIWTYINJMP-QGZVFWFLSA-N -1 1 348.422 2.629 20 10 EFCDMM O=C(COC(=O)c1csc(-c2ccco2)n1)c1ccc([O-])c(O)c1 ZINC001321023372 1329332703 /nfs/dbraw/zinc/33/27/03/1329332703.db2.gz FNQPMEFHRDTKRI-UHFFFAOYSA-N -1 1 345.332 2.854 20 10 EFCDMM CC(C)n1ncc2c1[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])CCC2 ZINC001324488955 1329632758 /nfs/dbraw/zinc/63/27/58/1329632758.db2.gz RIDHOCUGBRAQKO-LBPRGKRZSA-N -1 1 333.363 2.822 20 10 EFCDMM O=C(NC/C=C\C1CC1)NCc1cccc(Br)c1[O-] ZINC001326685580 1330346689 /nfs/dbraw/zinc/34/66/89/1330346689.db2.gz ZVCIHDSKAIQQEJ-IHWYPQMZSA-N -1 1 325.206 2.920 20 10 EFCDMM O=C(CNC(=S)Nc1cc(F)cc(F)c1)c1ccc([O-])c(O)c1 ZINC001200678135 1334327568 /nfs/dbraw/zinc/32/75/68/1334327568.db2.gz NDTUMFFKKASVMG-UHFFFAOYSA-N -1 1 338.335 2.545 20 10 EFCDMM CC(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000848391179 1334704635 /nfs/dbraw/zinc/70/46/35/1334704635.db2.gz YWABFNLPWDHOBY-SNVBAGLBSA-N -1 1 341.379 2.581 20 10 EFCDMM COCCN(Cc1cc(Cl)cc(F)c1[O-])C[C@@H](O)C(F)(F)F ZINC000848921432 1334987414 /nfs/dbraw/zinc/98/74/14/1334987414.db2.gz BAALNJSQSFINHF-LLVKDONJSA-N -1 1 345.720 2.556 20 10 EFCDMM CC1(C)C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC001358160270 1335364211 /nfs/dbraw/zinc/36/42/11/1335364211.db2.gz ZNHKZRHQBVGLBE-SNVBAGLBSA-N -1 1 342.233 2.976 20 10 EFCDMM COc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2F)cc1F ZINC000826209013 1423533484 /nfs/dbraw/zinc/53/34/84/1423533484.db2.gz JIVWTDNSWYUSLM-UHFFFAOYSA-N -1 1 331.326 2.790 20 10 EFCDMM COc1ccc(O)c([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821838502 1424238747 /nfs/dbraw/zinc/23/87/47/1424238747.db2.gz OGNXDCUBGCGTFQ-MRVPVSSYSA-N -1 1 346.778 2.802 20 10 EFCDMM Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000187330311 1424797760 /nfs/dbraw/zinc/79/77/60/1424797760.db2.gz KEYJCDNCCLFCQX-JTQLQIEISA-N -1 1 344.444 2.544 20 10 EFCDMM COc1ccc2c(c1)CCCN2Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821849876 1425883976 /nfs/dbraw/zinc/88/39/76/1425883976.db2.gz SOOUCRVLHIYZPY-UHFFFAOYSA-N -1 1 339.374 2.967 20 10 EFCDMM CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812636 1425958282 /nfs/dbraw/zinc/95/82/82/1425958282.db2.gz PKJRWKZWFYEYHD-OQFOIZHKSA-N -1 1 340.774 2.591 20 10 EFCDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OC)c1O ZINC000825631763 1427015002 /nfs/dbraw/zinc/01/50/02/1427015002.db2.gz FSMKTPPYKMZRMW-UHFFFAOYSA-N -1 1 341.371 2.592 20 10 EFCDMM Cc1c(Cl)cnc(NCc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000826240215 1427325167 /nfs/dbraw/zinc/32/51/67/1427325167.db2.gz IWIDCYIDLXKJJU-UHFFFAOYSA-N -1 1 343.822 2.902 20 10 EFCDMM CCN(Cc1ccc(-c2nnn[n-]2)cc1OC)c1ccc(OC)cc1 ZINC000825428635 1441570843 /nfs/dbraw/zinc/57/08/43/1441570843.db2.gz RQYOARFJLZIEOG-UHFFFAOYSA-N -1 1 339.399 2.910 20 10 EFCDMM [O-]c1c(F)cccc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826510955 1441916762 /nfs/dbraw/zinc/91/67/62/1441916762.db2.gz UDSYYROXYQNHFB-UHFFFAOYSA-N -1 1 339.374 2.876 20 10 EFCDMM COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1-c1nnn[n-]1 ZINC000826202968 1442375428 /nfs/dbraw/zinc/37/54/28/1442375428.db2.gz UOEVHKBTJBQNJW-UHFFFAOYSA-N -1 1 345.790 2.524 20 10 EFCDMM Cc1cc(N(C)C)ccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000737269715 1442472750 /nfs/dbraw/zinc/47/27/50/1442472750.db2.gz HGRVVNAUCQMNPM-UHFFFAOYSA-N -1 1 349.851 2.963 20 10 EFCDMM COc1ccc2c(c1)CCCN2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821849471 1443936311 /nfs/dbraw/zinc/93/63/11/1443936311.db2.gz JNVYDZHHASRPFU-UHFFFAOYSA-N -1 1 339.374 2.967 20 10 EFCDMM Cc1cc(C(=O)NCc2nnn[n-]2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000731888691 1446100197 /nfs/dbraw/zinc/10/01/97/1446100197.db2.gz YSNIRUPTLNHSNF-UHFFFAOYSA-N -1 1 338.415 2.661 20 10 EFCDMM CCN(C(=O)C=Cc1cnc(C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367712 1446173087 /nfs/dbraw/zinc/17/30/87/1446173087.db2.gz UKJMGLIJDNMCCV-HJWRWDBZSA-N -1 1 340.412 2.698 20 10 EFCDMM CCOc1ccc(N(C)Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825639167 1446262473 /nfs/dbraw/zinc/26/24/73/1446262473.db2.gz RRHSCPUMNPQKAP-UHFFFAOYSA-N -1 1 339.399 2.910 20 10 EFCDMM CCOc1cccc(CNc2cccc(-c3nnn[n-]3)c2C)c1O ZINC000825649101 1449840871 /nfs/dbraw/zinc/84/08/71/1449840871.db2.gz LDLRWRRFXSVGNP-UHFFFAOYSA-N -1 1 325.372 2.892 20 10 EFCDMM CC[C@@](O)(CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000840620179 717602145 /nfs/dbraw/zinc/60/21/45/717602145.db2.gz ATTTXUSZSXPNOD-LJQANCHMSA-N -1 1 344.363 2.512 20 10 EFCDMM COC(=O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893917056 720159448 /nfs/dbraw/zinc/15/94/48/720159448.db2.gz ORGIISRNGYEHQO-VIFPVBQESA-N -1 1 346.196 2.679 20 10 EFCDMM Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000894748556 722833469 /nfs/dbraw/zinc/83/34/69/722833469.db2.gz OTZRTYSCWBUDIO-CYBMUJFWSA-N -1 1 325.277 2.950 20 10 EFCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](n2cccn2)C1 ZINC000894814762 722855489 /nfs/dbraw/zinc/85/54/89/722855489.db2.gz JKRNCQWPQPFDAO-LBPRGKRZSA-N -1 1 340.196 2.937 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[S@@](=O)C(C)(C)CC2)c1[O-] ZINC000321726165 726090455 /nfs/dbraw/zinc/09/04/55/726090455.db2.gz RXLMICMISBKBMZ-JOCHJYFZSA-N -1 1 343.876 2.981 20 10 EFCDMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(F)c2ncccc12 ZINC000032585283 727133682 /nfs/dbraw/zinc/13/36/82/727133682.db2.gz XZKJPXSPOJXXSU-UHFFFAOYSA-N -1 1 346.339 2.903 20 10 EFCDMM CC(C)C[C@@H]1CN(C)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375130 727435596 /nfs/dbraw/zinc/43/55/96/727435596.db2.gz PAYAAWNXSFZGDX-KEDPEKRHSA-N -1 1 347.415 2.859 20 10 EFCDMM Cc1ccc(O[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916590613 727698920 /nfs/dbraw/zinc/69/89/20/727698920.db2.gz BNHCFBFQUNQLIZ-GFCCVEGCSA-N -1 1 330.336 2.600 20 10 EFCDMM O=C(COC(=O)c1cccc(OC(F)F)c1)c1ccc([O-])c(O)c1 ZINC000916590273 727698947 /nfs/dbraw/zinc/69/89/47/727698947.db2.gz WOSDKHXOOMLFOU-UHFFFAOYSA-N -1 1 338.262 2.739 20 10 EFCDMM O=C(CCCOc1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590801 727699130 /nfs/dbraw/zinc/69/91/30/727699130.db2.gz QGEOAHKFAAJPGC-UHFFFAOYSA-N -1 1 330.336 2.683 20 10 EFCDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000060497804 728371505 /nfs/dbraw/zinc/37/15/05/728371505.db2.gz KIUDZYJSOSEJNH-UHFFFAOYSA-N -1 1 344.358 2.648 20 10 EFCDMM C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC001602819688 971619503 /nfs/dbraw/zinc/61/95/03/971619503.db2.gz CYOSGCDOWPWBSW-ZETCQYMHSA-N -1 1 332.169 2.731 20 10 EFCDMM Cc1cc(Br)c([O-])c(C[N@H+](CC(=O)[O-])CC2CC2)c1 ZINC000844934789 955682807 /nfs/dbraw/zinc/68/28/07/955682807.db2.gz FKTYUPBPOAZMQX-UHFFFAOYSA-N -1 1 328.206 2.760 20 10 EFCDMM CC[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC001341451555 958003189 /nfs/dbraw/zinc/00/31/89/958003189.db2.gz OUCVVSDFBXIVDQ-ZETCQYMHSA-N -1 1 335.187 2.609 20 10 EFCDMM Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1Cl ZINC001594327442 958186457 /nfs/dbraw/zinc/18/64/57/958186457.db2.gz YVKNAPLCFVIXHU-JZLYGMAVSA-N -1 1 339.819 2.856 20 10 EFCDMM C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@H]1C(=O)[O-] ZINC000715790533 969084177 /nfs/dbraw/zinc/08/41/77/969084177.db2.gz UIVTYCBRALGZKC-LDYMZIIASA-N -1 1 346.196 2.836 20 10 EFCDMM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715758603 977781279 /nfs/dbraw/zinc/78/12/79/977781279.db2.gz DDQLUTVQWJVSSP-XCBNKYQSSA-N -1 1 332.169 2.589 20 10 EFCDMM CN(C)c1ccc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1F ZINC000901787547 980517906 /nfs/dbraw/zinc/51/79/06/980517906.db2.gz BHZZPBHMRXBKTC-AWEZNQCLSA-N -1 1 334.313 2.731 20 10 EFCDMM CCOCCC[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H](C)C(=O)[O-] ZINC001596914601 985929278 /nfs/dbraw/zinc/92/92/78/985929278.db2.gz CHLPBBCIDAPHEG-NSHDSACASA-N -1 1 331.359 2.620 20 10 EFCDMM COc1cccc([C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C(=O)[O-])c1 ZINC001599688242 991022656 /nfs/dbraw/zinc/02/26/56/991022656.db2.gz VKGCCVIMJGBPJB-INIZCTEOSA-N -1 1 347.342 2.658 20 10 EFCDMM C[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@@H](C(=O)[O-])C1 ZINC001594422686 999575331 /nfs/dbraw/zinc/57/53/31/999575331.db2.gz HMQJKSDSJUMRNA-JOYOIKCWSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@@H](C(=O)[O-])C1 ZINC001594422686 999575335 /nfs/dbraw/zinc/57/53/35/999575335.db2.gz HMQJKSDSJUMRNA-JOYOIKCWSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001594424013 999585373 /nfs/dbraw/zinc/58/53/73/999585373.db2.gz OKIQKZXESJEVSQ-CABZTGNLSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001594424013 999585377 /nfs/dbraw/zinc/58/53/77/999585377.db2.gz OKIQKZXESJEVSQ-CABZTGNLSA-N -1 1 328.206 2.840 20 10 EFCDMM CCCN(CCC)c1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001577578582 1090060013 /nfs/dbraw/zinc/06/00/13/1090060013.db2.gz QXZZJULMFIPREU-UHFFFAOYSA-N -1 1 340.435 2.828 20 10 EFCDMM CCCN(CCC)c1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001577578582 1090060024 /nfs/dbraw/zinc/06/00/24/1090060024.db2.gz QXZZJULMFIPREU-UHFFFAOYSA-N -1 1 340.435 2.828 20 10 EFCDMM C[C@@H](Nc1cccc(CCCO)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984894 1093208387 /nfs/dbraw/zinc/20/83/87/1093208387.db2.gz XEYQYCSFAJUCBN-GFCCVEGCSA-N -1 1 339.399 2.670 20 10 EFCDMM CC[C@H](Nc1cccc(CCO)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590473544 1093445675 /nfs/dbraw/zinc/44/56/75/1093445675.db2.gz PUBRFAGWRFNQSA-INIZCTEOSA-N -1 1 339.399 2.670 20 10 EFCDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1O ZINC001591729719 1093844826 /nfs/dbraw/zinc/84/48/26/1093844826.db2.gz FYGYLDJKLOHCNX-SSDOTTSWSA-N -1 1 332.345 2.715 20 10 EFCDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1O ZINC001591729719 1093844827 /nfs/dbraw/zinc/84/48/27/1093844827.db2.gz FYGYLDJKLOHCNX-SSDOTTSWSA-N -1 1 332.345 2.715 20 10 EFCDMM Cc1cc(NCCCSc2nccs2)cc(-c2nnn[n-]2)n1 ZINC001592048671 1093967303 /nfs/dbraw/zinc/96/73/03/1093967303.db2.gz LSTLPEONLBNSET-UHFFFAOYSA-N -1 1 333.446 2.621 20 10 EFCDMM Cc1cc(NCCCSc2nccs2)cc(-c2nn[n-]n2)n1 ZINC001592048671 1093967313 /nfs/dbraw/zinc/96/73/13/1093967313.db2.gz LSTLPEONLBNSET-UHFFFAOYSA-N -1 1 333.446 2.621 20 10 EFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc(-c2nn[nH]n2)cc1 ZINC001593144647 1094229574 /nfs/dbraw/zinc/22/95/74/1094229574.db2.gz JYCWZHHBFGUJHF-UHFFFAOYSA-N -1 1 344.762 2.547 20 10 EFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1C1CCC1 ZINC001593376187 1094299586 /nfs/dbraw/zinc/29/95/86/1094299586.db2.gz BIGOCBQACRIAFE-UXBLZVDNSA-N -1 1 349.466 2.682 20 10 EFCDMM Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)oc1C(=O)[O-] ZINC001600203780 1094876205 /nfs/dbraw/zinc/87/62/05/1094876205.db2.gz VKZLOURUKSONES-AWEZNQCLSA-N -1 1 344.411 2.974 20 10 EFCDMM Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)oc1C(=O)[O-] ZINC001600209156 1094884575 /nfs/dbraw/zinc/88/45/75/1094884575.db2.gz CFAFMLWNCPTLCU-UHFFFAOYSA-N -1 1 344.411 2.537 20 10 EFCDMM Cc1oc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1C(=O)[O-] ZINC001600852134 1095382371 /nfs/dbraw/zinc/38/23/71/1095382371.db2.gz HBNUOCNZQGGHLY-UHFFFAOYSA-N -1 1 344.411 2.537 20 10 EFCDMM O=C([O-])c1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c[nH]1 ZINC001602256754 1096143108 /nfs/dbraw/zinc/14/31/08/1096143108.db2.gz KKPBOWKJXQUTDK-OAHLLOKOSA-N -1 1 330.384 2.600 20 10 EFCDMM O=C([O-])c1cnc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)s1 ZINC001602518971 1096278624 /nfs/dbraw/zinc/27/86/24/1096278624.db2.gz UOCPEEFQRGYOJG-SECBINFHSA-N -1 1 340.351 2.815 20 10 EFCDMM C[C@@H](C(=O)[O-])[N@H+](Cc1cc(Br)ccc1[O-])C1CCC1 ZINC001603199215 1096471219 /nfs/dbraw/zinc/47/12/19/1096471219.db2.gz WMYMPHOAGHDIHC-VIFPVBQESA-N -1 1 328.206 2.982 20 10 EFCDMM C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Br)ccc1[O-])C1CCC1 ZINC001603199215 1096471224 /nfs/dbraw/zinc/47/12/24/1096471224.db2.gz WMYMPHOAGHDIHC-VIFPVBQESA-N -1 1 328.206 2.982 20 10 EFCDMM C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC001603197792 1096471575 /nfs/dbraw/zinc/47/15/75/1096471575.db2.gz AHGBMXNBXRYECY-QMMMGPOBSA-N -1 1 328.752 2.781 20 10 EFCDMM CC1=NC(=S)N[C@@H](c2ccc(N3CCCCC3)cc2)C1C(=O)[O-] ZINC001604607165 1096913743 /nfs/dbraw/zinc/91/37/43/1096913743.db2.gz KHYVRZXUNAMXMV-HNNXBMFYSA-N -1 1 331.441 2.554 20 10 EFCDMM COc1ccc(N(Cc2ccc(-c3nnn[n-]3)o2)CC2CC2)cc1 ZINC001605291096 1097083305 /nfs/dbraw/zinc/08/33/05/1097083305.db2.gz IAMPTTRHBBKIJV-UHFFFAOYSA-N -1 1 325.372 2.885 20 10 EFCDMM COc1ccc(N(Cc2ccc(-c3nn[n-]n3)o2)CC2CC2)cc1 ZINC001605291096 1097083310 /nfs/dbraw/zinc/08/33/10/1097083310.db2.gz IAMPTTRHBBKIJV-UHFFFAOYSA-N -1 1 325.372 2.885 20 10 EFCDMM CCOCCC[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](C)C(=O)[O-] ZINC001605632108 1097174336 /nfs/dbraw/zinc/17/43/36/1097174336.db2.gz DUBCBVNDVHAMLS-LBPRGKRZSA-N -1 1 329.824 2.995 20 10 EFCDMM Cc1ccc(NCCCSc2nccs2)nc1-c1nn[n-]n1 ZINC001605874279 1097261571 /nfs/dbraw/zinc/26/15/71/1097261571.db2.gz MEXZWEXOWLBFBU-UHFFFAOYSA-N -1 1 333.446 2.621 20 10 EFCDMM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC001608007235 1097803172 /nfs/dbraw/zinc/80/31/72/1097803172.db2.gz WOJRELLGXUPTKL-UHFFFAOYSA-N -1 1 344.459 2.673 20 10 EFCDMM O=C([O-])C1=NO[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC001608589923 1097962262 /nfs/dbraw/zinc/96/22/62/1097962262.db2.gz UVKKYTKPDHHNMQ-AWEZNQCLSA-N -1 1 345.182 2.504 20 10 EFCDMM O=C([O-])C1=NO[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC001608589923 1097962266 /nfs/dbraw/zinc/96/22/66/1097962266.db2.gz UVKKYTKPDHHNMQ-AWEZNQCLSA-N -1 1 345.182 2.504 20 10 EFCDMM O=C([O-])/C=C\c1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC001608659700 1097980504 /nfs/dbraw/zinc/98/05/04/1097980504.db2.gz GZCPIGRDVZCWGR-FPLPWBNLSA-N -1 1 342.395 2.504 20 10 EFCDMM O=C([O-])C[N@H+](CCCc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC001608745342 1098009135 /nfs/dbraw/zinc/00/91/35/1098009135.db2.gz BWKFZNRGRKZKRS-UHFFFAOYSA-N -1 1 334.803 2.960 20 10 EFCDMM O=C([O-])C[N@@H+](CCCc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC001608745342 1098009141 /nfs/dbraw/zinc/00/91/41/1098009141.db2.gz BWKFZNRGRKZKRS-UHFFFAOYSA-N -1 1 334.803 2.960 20 10 EFCDMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001608812421 1098029991 /nfs/dbraw/zinc/02/99/91/1098029991.db2.gz RCUWXORIQGZYKB-BDAKNGLRSA-N -1 1 339.260 2.755 20 10 EFCDMM CCCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609210214 1098204239 /nfs/dbraw/zinc/20/42/39/1098204239.db2.gz GRSLLUIWODIYJA-UHFFFAOYSA-N -1 1 341.371 2.608 20 10 EFCDMM CN(C)c1ccc(CN(C)c2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC001609270620 1098233392 /nfs/dbraw/zinc/23/33/92/1098233392.db2.gz LTXWPOSMHLIDES-UHFFFAOYSA-N -1 1 349.851 2.679 20 10 EFCDMM CN(C)c1ccc(CN(C)c2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC001609270620 1098233393 /nfs/dbraw/zinc/23/33/93/1098233393.db2.gz LTXWPOSMHLIDES-UHFFFAOYSA-N -1 1 349.851 2.679 20 10 EFCDMM Cc1nsc(NCc2c(O)ccc3c2CCCC3)c1-c1nn[n-]n1 ZINC001609466513 1098337666 /nfs/dbraw/zinc/33/76/66/1098337666.db2.gz WBKNCGVQNQSGJH-UHFFFAOYSA-N -1 1 342.428 2.828 20 10 EFCDMM Cc1nsc(NCc2ccc(N3CCCC3)cc2)c1-c1nn[n-]n1 ZINC001609466400 1098337864 /nfs/dbraw/zinc/33/78/64/1098337864.db2.gz SVMVBCWYQATHQR-UHFFFAOYSA-N -1 1 341.444 2.844 20 10 EFCDMM CCc1cc(CN2CCOC[C@@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001610059176 1098533987 /nfs/dbraw/zinc/53/39/87/1098533987.db2.gz UNKMVLLHNNAWNX-HNNXBMFYSA-N -1 1 335.444 2.928 20 10 EFCDMM CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001610237966 1098586780 /nfs/dbraw/zinc/58/67/80/1098586780.db2.gz ROEPKUKUWWWRTR-ZYHUDNBSSA-N -1 1 334.199 2.763 20 10 EFCDMM O=C([O-])CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCO1 ZINC001610773163 1098880082 /nfs/dbraw/zinc/88/00/82/1098880082.db2.gz IYCCVIAABPCYTK-GFCCVEGCSA-N -1 1 331.771 2.640 20 10 EFCDMM O=C([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC001610853974 1098938978 /nfs/dbraw/zinc/93/89/78/1098938978.db2.gz XPNCANGSLSBUAF-UHFFFAOYSA-N -1 1 345.735 2.684 20 10 EFCDMM COC(=O)c1ccc([O-])c([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)c1 ZINC000840826099 1101754199 /nfs/dbraw/zinc/75/41/99/1101754199.db2.gz HNYPROOPELWQHF-INIZCTEOSA-N -1 1 346.427 2.578 20 10 EFCDMM CCCn1nccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000834475717 1102782344 /nfs/dbraw/zinc/78/23/44/1102782344.db2.gz BIIGPILBBCSPDK-UHFFFAOYSA-N -1 1 338.205 2.691 20 10 EFCDMM CCOC(=O)Cc1cnc(NCc2cc(F)cc(F)c2[O-])s1 ZINC000905414516 1103157470 /nfs/dbraw/zinc/15/74/70/1103157470.db2.gz OQAFTLWMTBUTEU-UHFFFAOYSA-N -1 1 328.340 2.845 20 10 EFCDMM CS[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783765097 1104224766 /nfs/dbraw/zinc/22/47/66/1104224766.db2.gz OPJVPBOVLRAVHR-MRXNPFEDSA-N -1 1 332.377 2.928 20 10 EFCDMM [O-]c1cc(F)c(F)cc1CN1CCn2cc(C(F)(F)F)nc2C1 ZINC001142520104 1106119508 /nfs/dbraw/zinc/11/95/08/1106119508.db2.gz BJGHXWCOXGSTNO-UHFFFAOYSA-N -1 1 333.260 2.902 20 10 EFCDMM O=C1CN(Cc2cc(F)c(F)cc2[O-])CCN1Cc1ccccc1 ZINC001142527119 1106179163 /nfs/dbraw/zinc/17/91/63/1106179163.db2.gz LGFUMOSLHNHWGN-UHFFFAOYSA-N -1 1 332.350 2.515 20 10 EFCDMM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001142534588 1106240202 /nfs/dbraw/zinc/24/02/02/1106240202.db2.gz OUZACERQDQWNEM-OAHLLOKOSA-N -1 1 332.341 2.976 20 10 EFCDMM [O-]c1cc(F)c(F)cc1CN1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001142534587 1106240352 /nfs/dbraw/zinc/24/03/52/1106240352.db2.gz OUZACERQDQWNEM-HNNXBMFYSA-N -1 1 332.341 2.976 20 10 EFCDMM Cc1nc(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)[nH]c1C ZINC000899509898 1109360041 /nfs/dbraw/zinc/36/00/41/1109360041.db2.gz QUPDIXGYLIOKHU-UHFFFAOYSA-N -1 1 333.363 2.597 20 10 EFCDMM CC(C)CN1CC[C@@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272616062 1111748017 /nfs/dbraw/zinc/74/80/17/1111748017.db2.gz GOYFIRXOXXOOKJ-SFHVURJKSA-N -1 1 338.398 2.893 20 10 EFCDMM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])cc(F)cc2F)N1CC(F)F ZINC001272616255 1111748856 /nfs/dbraw/zinc/74/88/56/1111748856.db2.gz HOQVOVPDROBITE-CHWSQXEVSA-N -1 1 346.324 2.501 20 10 EFCDMM C[C@H](O)C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000276515265 240767150 /nfs/dbraw/zinc/76/71/50/240767150.db2.gz BQPCBCWMOIHHJT-AAEUAGOBSA-N -1 1 333.359 2.521 20 10 EFCDMM O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1c(F)ccc(O)c1[O-] ZINC000295958379 241070639 /nfs/dbraw/zinc/07/06/39/241070639.db2.gz HRAOTGFZSGCXJD-LLVKDONJSA-N -1 1 348.349 2.632 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1[O-] ZINC000296739532 241096740 /nfs/dbraw/zinc/09/67/40/241096740.db2.gz OHXMBWMSCBUAHA-CYBMUJFWSA-N -1 1 340.807 2.521 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000248510647 278244193 /nfs/dbraw/zinc/24/41/93/278244193.db2.gz AJDMOPQRHHCDHQ-XZJROXQQSA-N -1 1 335.375 2.952 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000248510647 278244196 /nfs/dbraw/zinc/24/41/96/278244196.db2.gz AJDMOPQRHHCDHQ-XZJROXQQSA-N -1 1 335.375 2.952 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000089155440 472391049 /nfs/dbraw/zinc/39/10/49/472391049.db2.gz XBCGZCQAZXMFDX-JKSUJKDBSA-N -1 1 339.819 2.628 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2nncn2C)c1[O-] ZINC000156939409 472769394 /nfs/dbraw/zinc/76/93/94/472769394.db2.gz HAPJFJQCFLZBNY-CQSZACIVSA-N -1 1 334.807 2.714 20 10 EFCDMM CC(C)Oc1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000065845487 473018133 /nfs/dbraw/zinc/01/81/33/473018133.db2.gz FHVGBKDYVUEACK-UHFFFAOYSA-N -1 1 326.399 2.712 20 10 EFCDMM CC(C)[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000182953732 474296294 /nfs/dbraw/zinc/29/62/94/474296294.db2.gz WLNCRMOVBLJILL-UHFFFAOYSA-N -1 1 328.412 2.667 20 10 EFCDMM O=S(=O)(CCC1CCC1)NCc1cccc(Br)c1[O-] ZINC000289905957 474480408 /nfs/dbraw/zinc/48/04/08/474480408.db2.gz PWKHBVZLJRVUHF-UHFFFAOYSA-N -1 1 348.262 2.764 20 10 EFCDMM O=S1(=O)CCN(Cc2c([O-])cccc2Cl)CC12CCCCC2 ZINC000271306645 474485258 /nfs/dbraw/zinc/48/52/58/474485258.db2.gz VUMVNVREBYHBMT-UHFFFAOYSA-N -1 1 343.876 2.979 20 10 EFCDMM CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000189870905 474497305 /nfs/dbraw/zinc/49/73/05/474497305.db2.gz WMEKWGROCASXDI-LLVKDONJSA-N -1 1 327.730 2.799 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])OCC(F)(F)F ZINC000277468032 474586598 /nfs/dbraw/zinc/58/65/98/474586598.db2.gz JRDQRDWQDFHQPG-UHFFFAOYSA-N -1 1 328.084 2.943 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCSCC1 ZINC000277383256 474582710 /nfs/dbraw/zinc/58/27/10/474582710.db2.gz IJTZLMDSADCVKM-UHFFFAOYSA-N -1 1 345.262 2.850 20 10 EFCDMM COCCC1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277468072 474586440 /nfs/dbraw/zinc/58/64/40/474586440.db2.gz HQFLUDGBRNUVNY-UHFFFAOYSA-N -1 1 328.206 2.588 20 10 EFCDMM C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277475245 474587002 /nfs/dbraw/zinc/58/70/02/474587002.db2.gz PDUPVJJVWJKPCE-ONGXEEELSA-N -1 1 343.221 2.521 20 10 EFCDMM CC[C@@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277475155 474587195 /nfs/dbraw/zinc/58/71/95/474587195.db2.gz KWTAMBFXDVGAJX-SECBINFHSA-N -1 1 336.251 2.620 20 10 EFCDMM CCCn1cc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000277488360 474587874 /nfs/dbraw/zinc/58/78/74/474587874.db2.gz JGFBWSZSKXHNLF-UHFFFAOYSA-N -1 1 338.205 2.691 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(C2CC2)n[nH]1 ZINC000277579818 474589810 /nfs/dbraw/zinc/58/98/10/474589810.db2.gz RJUHFGXETPITRU-UHFFFAOYSA-N -1 1 336.189 2.685 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCOCC1 ZINC000277692845 474592549 /nfs/dbraw/zinc/59/25/49/474592549.db2.gz GXMQUINDIIGRAH-LLVKDONJSA-N -1 1 343.221 2.523 20 10 EFCDMM CC(C)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nncn1C ZINC000285537365 475029020 /nfs/dbraw/zinc/02/90/20/475029020.db2.gz POYNXTUUEQUYCP-GFCCVEGCSA-N -1 1 339.783 2.569 20 10 EFCDMM Cc1ccnc(OC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000294827541 475084821 /nfs/dbraw/zinc/08/48/21/475084821.db2.gz ABGPGQPEOSVVIA-UHFFFAOYSA-N -1 1 346.358 2.624 20 10 EFCDMM CCCOc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000294852152 475086964 /nfs/dbraw/zinc/08/69/64/475086964.db2.gz NNCKYZSQOUENEH-UHFFFAOYSA-N -1 1 349.358 2.964 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCCN2c3ccccc3C[C@H]2C1 ZINC000295633710 475129427 /nfs/dbraw/zinc/12/94/27/475129427.db2.gz CAJVEAGSJYANON-ZDUSSCGKSA-N -1 1 342.370 2.514 20 10 EFCDMM COc1c(O)c(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000373209903 476384161 /nfs/dbraw/zinc/38/41/61/476384161.db2.gz MXJDBLZRFHIHQM-CQSZACIVSA-N -1 1 346.387 2.688 20 10 EFCDMM C[C@H](NCc1nnc2n1CCOC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000375448880 476843332 /nfs/dbraw/zinc/84/33/32/476843332.db2.gz VNJLRYKYYMEMLA-QMMMGPOBSA-N -1 1 343.214 2.672 20 10 EFCDMM C[C@@H](NCc1nncn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756401584 575731077 /nfs/dbraw/zinc/73/10/77/575731077.db2.gz IWZMNOFJTWTKOK-GFCCVEGCSA-N -1 1 339.355 2.732 20 10 EFCDMM COc1ccccc1[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756713151 575779774 /nfs/dbraw/zinc/77/97/74/575779774.db2.gz VENSCJVSEHZSHU-NHYWBVRUSA-N -1 1 332.356 2.693 20 10 EFCDMM C[C@@H](Nc1cnn(CCO)c1)c1cc(Br)cc(F)c1[O-] ZINC000756856469 575793714 /nfs/dbraw/zinc/79/37/14/575793714.db2.gz QJACGONLLIXSBC-MRVPVSSYSA-N -1 1 344.184 2.656 20 10 EFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCOCC3(CCC3)C2)c1[O-] ZINC000761225928 576132799 /nfs/dbraw/zinc/13/27/99/576132799.db2.gz NFBICSXJPQMFNT-UHFFFAOYSA-N -1 1 326.780 2.956 20 10 EFCDMM CCC[C@H](C)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000761856149 576221190 /nfs/dbraw/zinc/22/11/90/576221190.db2.gz UUEBOTYMUQXQFI-VIFPVBQESA-N -1 1 325.390 2.717 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCS1 ZINC000764797045 576504978 /nfs/dbraw/zinc/50/49/78/576504978.db2.gz INLPZTHRLRCXSQ-SNVBAGLBSA-N -1 1 345.262 2.850 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCC=CO1 ZINC000764802914 576505500 /nfs/dbraw/zinc/50/55/00/576505500.db2.gz ADQSTHRAKZRWRJ-LLVKDONJSA-N -1 1 341.205 2.647 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nccs1 ZINC000765212873 577019473 /nfs/dbraw/zinc/01/94/73/577019473.db2.gz UNXRCAIWOPLIEI-UHFFFAOYSA-N -1 1 328.191 2.933 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2cc[nH]c2n1 ZINC000765729598 577071234 /nfs/dbraw/zinc/07/12/34/577071234.db2.gz PVVFMHNLNQUPHZ-UHFFFAOYSA-N -1 1 346.184 2.961 20 10 EFCDMM Cc1cnccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765747144 577072107 /nfs/dbraw/zinc/07/21/07/577072107.db2.gz MJUIZUVRAILTDO-UHFFFAOYSA-N -1 1 335.201 2.717 20 10 EFCDMM CN(CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765751135 577072515 /nfs/dbraw/zinc/07/25/15/577072515.db2.gz PGAFHJVQWFNZPK-UHFFFAOYSA-N -1 1 349.228 2.907 20 10 EFCDMM O=C(/C=C/C1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000765752556 577072826 /nfs/dbraw/zinc/07/28/26/577072826.db2.gz XIYKVEBDEZBXLK-SNAWJCMRSA-N -1 1 340.217 2.754 20 10 EFCDMM CCOCCCNC(=S)NCc1cccc(Br)c1[O-] ZINC000765993651 577096680 /nfs/dbraw/zinc/09/66/80/577096680.db2.gz YHPMJBALUJJQHH-UHFFFAOYSA-N -1 1 347.278 2.545 20 10 EFCDMM CN1CCN(c2ccc(/C=C/c3ncc(C(=O)[O-])s3)cc2)CC1 ZINC000771525236 581220535 /nfs/dbraw/zinc/22/05/35/581220535.db2.gz AYBBDVIAFYUXJA-QPJJXVBHSA-N -1 1 329.425 2.764 20 10 EFCDMM O=C([O-])[C@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000738547949 599956726 /nfs/dbraw/zinc/95/67/26/599956726.db2.gz FRVZUEMXUXZQTB-QGZVFWFLSA-N -1 1 327.336 2.577 20 10 EFCDMM O=C([O-])C1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000236427137 600007753 /nfs/dbraw/zinc/00/77/53/600007753.db2.gz ZDBUDKRMGCXLCW-UHFFFAOYSA-N -1 1 328.206 2.888 20 10 EFCDMM CC(=O)c1cc(F)cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c1O ZINC000825946591 601147294 /nfs/dbraw/zinc/14/72/94/601147294.db2.gz GEOQWSKOVLXPQW-QGZVFWFLSA-N -1 1 343.354 2.745 20 10 EFCDMM COc1cc(O)c(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000833730107 604545909 /nfs/dbraw/zinc/54/59/09/604545909.db2.gz VWUOSEKWXGRVMP-UHFFFAOYSA-N -1 1 335.356 2.641 20 10 EFCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1O ZINC000316994486 604827424 /nfs/dbraw/zinc/82/74/24/604827424.db2.gz NKLVGJZYIUACSC-UHFFFAOYSA-N -1 1 341.772 2.853 20 10 EFCDMM CC(C)(C)OC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833434266 604949320 /nfs/dbraw/zinc/94/93/20/604949320.db2.gz SXMDDXITTPDECG-UHFFFAOYSA-N -1 1 343.807 2.664 20 10 EFCDMM CC(C)(C)OC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833434266 604949323 /nfs/dbraw/zinc/94/93/23/604949323.db2.gz SXMDDXITTPDECG-UHFFFAOYSA-N -1 1 343.807 2.664 20 10 EFCDMM CC[C@@H](NCc1nc(C(N)=O)cs1)c1cccc(Cl)c1[O-] ZINC000850539619 1250527654 /nfs/dbraw/zinc/52/76/54/1250527654.db2.gz FBZFBHGWEIJZHI-SNVBAGLBSA-N -1 1 325.821 2.842 20 10 EFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000189435241 1249528997 /nfs/dbraw/zinc/52/89/97/1249528997.db2.gz ZPNQSJXMPGYSKU-UHFFFAOYSA-N -1 1 336.369 2.972 20 10 EFCDMM CCN(CC(=O)N(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708147333 1259679004 /nfs/dbraw/zinc/67/90/04/1259679004.db2.gz YKAQSAFRZLTCKT-UHFFFAOYSA-N -1 1 349.656 2.718 20 10 EFCDMM CCOC(=O)C(=C([O-])CSc1nccs1)c1nc(C)cs1 ZINC000133227043 1268480789 /nfs/dbraw/zinc/48/07/89/1268480789.db2.gz GIOAAZOJIRPUEC-JTQLQIEISA-N -1 1 342.467 2.916 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)S(=O)[C@@H](C)C2)c1[O-] ZINC000792393487 1278757821 /nfs/dbraw/zinc/75/78/21/1278757821.db2.gz HTMNFAMWTRSQFL-UWVGGRQHSA-N -1 1 329.849 2.590 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)S(=O)[C@H](C)C2)c1[O-] ZINC000792393486 1278758104 /nfs/dbraw/zinc/75/81/04/1278758104.db2.gz HTMNFAMWTRSQFL-NXEZZACHSA-N -1 1 329.849 2.590 20 10 EFCDMM O=C(COC(=O)c1cc(F)c(F)cc1F)c1ccc([O-])c(O)c1 ZINC000785591583 1275122726 /nfs/dbraw/zinc/12/27/26/1275122726.db2.gz LBXCYCJJWJURCS-UHFFFAOYSA-N -1 1 326.226 2.555 20 10 EFCDMM O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808113530 1275203436 /nfs/dbraw/zinc/20/34/36/1275203436.db2.gz CDLJNOOYIZCVTP-UHFFFAOYSA-N -1 1 346.723 2.894 20 10 EFCDMM COc1cc(C)c([N+](=O)[O-])cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315201 1279009496 /nfs/dbraw/zinc/00/94/96/1279009496.db2.gz UDEUCXIHLMSOKJ-UHFFFAOYSA-N -1 1 332.312 2.618 20 10 EFCDMM O=C(CNc1ncc(Cl)c(C(F)(F)F)n1)c1ccc([O-])c(O)c1 ZINC001170314661 1279009613 /nfs/dbraw/zinc/00/96/13/1279009613.db2.gz XKSUMTFSPKLBAE-UHFFFAOYSA-N -1 1 347.680 2.855 20 10 EFCDMM Cc1cnc(NCC(=O)c2ccc([O-])c(O)c2)c([Si](C)(C)C)c1 ZINC001170316149 1279010289 /nfs/dbraw/zinc/01/02/89/1279010289.db2.gz ARGAMFUENTXVHZ-UHFFFAOYSA-N -1 1 330.460 2.641 20 10 EFCDMM COc1ccc2nc(C)nc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001170316179 1279010604 /nfs/dbraw/zinc/01/06/04/1279010604.db2.gz BHIZBDSGAIUIOP-UHFFFAOYSA-N -1 1 339.351 2.653 20 10 EFCDMM Cc1nc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)c(Cl)n1 ZINC001170316650 1279010697 /nfs/dbraw/zinc/01/06/97/1279010697.db2.gz WJHLXACRINRYDC-UHFFFAOYSA-N -1 1 328.155 2.798 20 10 EFCDMM COC(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)c(C)c1C ZINC001170322998 1279015494 /nfs/dbraw/zinc/01/54/94/1279015494.db2.gz SBQVYLYVNRRHDT-UHFFFAOYSA-N -1 1 329.352 2.796 20 10 EFCDMM O=C(CNc1cc(O)ccc1Br)c1ccc([O-])c(O)c1 ZINC001170323284 1279015566 /nfs/dbraw/zinc/01/55/66/1279015566.db2.gz VMDFLERGAHEVOD-UHFFFAOYSA-N -1 1 338.157 2.861 20 10 EFCDMM O=C(CNc1nc(Cl)cc2ncccc21)c1ccc([O-])c(O)c1 ZINC001170316847 1279011945 /nfs/dbraw/zinc/01/19/45/1279011945.db2.gz RAFXVBXQBAURMB-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1cc(OCC(F)(F)F)ccn1)c1ccc([O-])c(O)c1 ZINC001170321024 1279014401 /nfs/dbraw/zinc/01/44/01/1279014401.db2.gz VKUCWWCLAFUTJW-UHFFFAOYSA-N -1 1 342.273 2.729 20 10 EFCDMM O=C(CNc1cncc(OC(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC001170322192 1279014429 /nfs/dbraw/zinc/01/44/29/1279014429.db2.gz GZMCOJAIHOLJJX-UHFFFAOYSA-N -1 1 328.246 2.686 20 10 EFCDMM O=C(CNc1cccnc1OCC(F)(F)F)c1ccc([O-])c(O)c1 ZINC001170322968 1279014562 /nfs/dbraw/zinc/01/45/62/1279014562.db2.gz QDBHGCDGVACKBK-UHFFFAOYSA-N -1 1 342.273 2.729 20 10 EFCDMM O=C(CNc1nccc(Br)c1F)c1ccc([O-])c(O)c1 ZINC001170322708 1279014823 /nfs/dbraw/zinc/01/48/23/1279014823.db2.gz NBSWWZPEZDNYOC-UHFFFAOYSA-N -1 1 341.136 2.689 20 10 EFCDMM C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000817880595 1276358454 /nfs/dbraw/zinc/35/84/54/1276358454.db2.gz AFOKXYPHPXVVGF-ONGXEEELSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000817880593 1276358725 /nfs/dbraw/zinc/35/87/25/1276358725.db2.gz AFOKXYPHPXVVGF-KOLCDFICSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000817881181 1276359373 /nfs/dbraw/zinc/35/93/73/1276359373.db2.gz PSVOADUHYQPMMV-IUCAKERBSA-N -1 1 328.752 2.639 20 10 EFCDMM CC1(C)COc2c1cccc2C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000789245136 1276589183 /nfs/dbraw/zinc/58/91/83/1276589183.db2.gz MPTXTOJLGILJLE-UHFFFAOYSA-N -1 1 342.347 2.808 20 10 EFCDMM CN1CCN(c2ccc(CNc3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000789899274 1277087636 /nfs/dbraw/zinc/08/76/36/1277087636.db2.gz UXDMUFMUFZGDGU-UHFFFAOYSA-N -1 1 325.412 2.749 20 10 EFCDMM CN1CCCc2cc(CNC(=O)c3c(F)ccc(O)c3[O-])ccc21 ZINC000789963427 1277125520 /nfs/dbraw/zinc/12/55/20/1277125520.db2.gz HCNASWXPTFLGSX-UHFFFAOYSA-N -1 1 330.359 2.549 20 10 EFCDMM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1c([O-])c(O)ccc1F ZINC000789978147 1277140549 /nfs/dbraw/zinc/14/05/49/1277140549.db2.gz IACCOXDGFRUEFJ-LBPRGKRZSA-N -1 1 348.349 2.775 20 10 EFCDMM C[C@@]1(c2ccccc2)CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000789988209 1277149780 /nfs/dbraw/zinc/14/97/80/1277149780.db2.gz CFERMRAJTJIYAF-SFHVURJKSA-N -1 1 331.343 2.625 20 10 EFCDMM C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000790074614 1277210535 /nfs/dbraw/zinc/21/05/35/1277210535.db2.gz DWHRBNALQRQAPO-YMTOWFKASA-N -1 1 337.322 2.618 20 10 EFCDMM C[C@](O)(CNC(=O)c1c([O-])c(O)ccc1F)c1ccccc1Cl ZINC000790077183 1277212252 /nfs/dbraw/zinc/21/22/52/1277212252.db2.gz VIIPMUPYWJGXIE-INIZCTEOSA-N -1 1 339.750 2.528 20 10 EFCDMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2)cc1OC ZINC000790342505 1277477589 /nfs/dbraw/zinc/47/75/89/1277477589.db2.gz VJSNDPJJPODYNP-UHFFFAOYSA-N -1 1 343.788 2.864 20 10 EFCDMM Cc1cc(CN(C)Cc2cc(Br)c(F)cc2[O-])n(C)n1 ZINC001144299704 1279388260 /nfs/dbraw/zinc/38/82/60/1279388260.db2.gz GSVVVORXTHHUOV-UHFFFAOYSA-N -1 1 342.212 2.968 20 10 EFCDMM CC[C@@H](C)[C@@H](OC)C(=O)NCc1cccc(Br)c1[O-] ZINC000793973096 1279965802 /nfs/dbraw/zinc/96/58/02/1279965802.db2.gz YGNWHCPRNGZNCE-NOZJJQNGSA-N -1 1 330.222 2.832 20 10 EFCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])n1ccnc1 ZINC000846015923 1279977964 /nfs/dbraw/zinc/97/79/64/1279977964.db2.gz OUIADVZUOPMKSE-JTQLQIEISA-N -1 1 338.205 2.619 20 10 EFCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cccc2nonc21 ZINC000808114444 1281542851 /nfs/dbraw/zinc/54/28/51/1281542851.db2.gz YRQFUDUBWJWUMN-UHFFFAOYSA-N -1 1 343.723 2.522 20 10 EFCDMM O=C(COC(=O)c1ccnc(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000808666188 1281852391 /nfs/dbraw/zinc/85/23/91/1281852391.db2.gz AOJOMQAPUXQJNU-UHFFFAOYSA-N -1 1 341.241 2.551 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])c1ocnc1C1CC1 ZINC000809798159 1282465896 /nfs/dbraw/zinc/46/58/96/1282465896.db2.gz JQWVRVMAQLWEEU-UHFFFAOYSA-N -1 1 337.173 2.950 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CCOCC(F)(F)C2)c1 ZINC000809788153 1282486507 /nfs/dbraw/zinc/48/65/07/1282486507.db2.gz OONWAKGGIVHSNU-UHFFFAOYSA-N -1 1 336.176 2.931 20 10 EFCDMM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cn1 ZINC000811824121 1284688338 /nfs/dbraw/zinc/68/83/38/1284688338.db2.gz ITSOAYBXDPZWJW-UHFFFAOYSA-N -1 1 346.456 2.549 20 10 EFCDMM CN(C)c1ccc(C=Cc2ccc(NC(=O)Cc3nn[n-]n3)cc2)cc1 ZINC001176845702 1288166051 /nfs/dbraw/zinc/16/60/51/1288166051.db2.gz ZIORSMSYLSPTKX-ONEGZZNKSA-N -1 1 348.410 2.617 20 10 EFCDMM CN(C)c1ccc(/C=C/c2ccc(NC(=O)Cc3nn[n-]n3)cc2)cc1 ZINC001176845702 1288166056 /nfs/dbraw/zinc/16/60/56/1288166056.db2.gz ZIORSMSYLSPTKX-ONEGZZNKSA-N -1 1 348.410 2.617 20 10 EFCDMM O=C1CNC(=O)N1c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816523305 1288201758 /nfs/dbraw/zinc/20/17/58/1288201758.db2.gz LMOPORRLOVQQCD-UHFFFAOYSA-N -1 1 349.749 2.853 20 10 EFCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1-n1cnnn1 ZINC000816527212 1288205222 /nfs/dbraw/zinc/20/52/22/1288205222.db2.gz AHBBCIQTHAZLDQ-UHFFFAOYSA-N -1 1 349.753 2.781 20 10 EFCDMM O=C(NCCO)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816597826 1288219475 /nfs/dbraw/zinc/21/94/75/1288219475.db2.gz GZZLGUFGJUYFPG-UHFFFAOYSA-N -1 1 338.766 2.519 20 10 EFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000817356773 1288548092 /nfs/dbraw/zinc/54/80/92/1288548092.db2.gz TXOPWUAYIUOZMN-CYBMUJFWSA-N -1 1 331.434 2.594 20 10 EFCDMM C[C@H](CCc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001186028398 1290821077 /nfs/dbraw/zinc/82/10/77/1290821077.db2.gz SSKHEYLWYZUGCP-CYBMUJFWSA-N -1 1 327.380 2.666 20 10 EFCDMM Cc1cc([N-]S(=O)(=O)c2ccc3nsnc3c2)c(C)cc1O ZINC001186260770 1290916160 /nfs/dbraw/zinc/91/61/60/1290916160.db2.gz CDCIMNYFPIOHLK-UHFFFAOYSA-N -1 1 335.410 2.815 20 10 EFCDMM COC(=O)[C@@H]1CCCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233027069 1312835087 /nfs/dbraw/zinc/83/50/87/1312835087.db2.gz LFSBOQRJNQPGGS-SECBINFHSA-N -1 1 346.196 2.679 20 10 EFCDMM COC(=O)[C@H]1CN(Cc2c([O-])cc(Br)cc2F)C[C@@H]1C ZINC001233031397 1312836196 /nfs/dbraw/zinc/83/61/96/1312836196.db2.gz BGMIYLOXBDROGB-WPRPVWTQSA-N -1 1 346.196 2.535 20 10 EFCDMM CSc1ccc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001188127026 1291313621 /nfs/dbraw/zinc/31/36/21/1291313621.db2.gz MVSZKLZMRLOZJI-UHFFFAOYSA-N -1 1 332.381 2.824 20 10 EFCDMM COC(=O)[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])Cc2ccccc21 ZINC000877659702 1291315466 /nfs/dbraw/zinc/31/54/66/1291315466.db2.gz ZXLPVNXFBOSUJO-CQSZACIVSA-N -1 1 333.334 2.943 20 10 EFCDMM COc1cc(O)c(C[N@H+](C2CC2)C2COC2)cc1Br ZINC001233140366 1312865037 /nfs/dbraw/zinc/86/50/37/1312865037.db2.gz GPOHSUSDPFIUNO-UHFFFAOYSA-N -1 1 328.206 2.527 20 10 EFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CC3(CCC3)C2)c1 ZINC001233306524 1312898784 /nfs/dbraw/zinc/89/87/84/1312898784.db2.gz UCYSJWWDIYVULB-UHFFFAOYSA-N -1 1 340.217 2.927 20 10 EFCDMM CC(C)(C)OC(=O)N1CC2(CCN2Cc2c([O-])ccc(F)c2F)C1 ZINC001233332207 1312905040 /nfs/dbraw/zinc/90/50/40/1312905040.db2.gz CGHFYNQYVYTGSF-UHFFFAOYSA-N -1 1 340.370 2.866 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@@H](COc2ccccc2)C1 ZINC001233335335 1312905679 /nfs/dbraw/zinc/90/56/79/1312905679.db2.gz QOSYXVFOGOPACY-CQSZACIVSA-N -1 1 335.350 2.950 20 10 EFCDMM CC(C)(C)CC(=O)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335605 1312905915 /nfs/dbraw/zinc/90/59/15/1312905915.db2.gz CVSZRQKKQKVUNE-UHFFFAOYSA-N -1 1 326.387 2.751 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@H](COc2ccccc2)C1 ZINC001233335334 1312906282 /nfs/dbraw/zinc/90/62/82/1312906282.db2.gz QOSYXVFOGOPACY-AWEZNQCLSA-N -1 1 335.350 2.950 20 10 EFCDMM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418552 1312927684 /nfs/dbraw/zinc/92/76/84/1312927684.db2.gz LUPNWCUVPLHLBL-JTQLQIEISA-N -1 1 339.260 2.794 20 10 EFCDMM CC(C)(C)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1=O ZINC001233418665 1312928634 /nfs/dbraw/zinc/92/86/34/1312928634.db2.gz QBHLLXBXQWFLIS-UHFFFAOYSA-N -1 1 330.350 2.854 20 10 EFCDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)c1nc(Cl)ccc1N ZINC001193219594 1293199524 /nfs/dbraw/zinc/19/95/24/1293199524.db2.gz LCBNPHDCBIDREZ-UHFFFAOYSA-N -1 1 328.155 2.658 20 10 EFCDMM Cc1ccn2cc(CN(C)C(=O)c3ccc(O)c([O-])c3Cl)nc2c1 ZINC001193232708 1293205726 /nfs/dbraw/zinc/20/57/26/1293205726.db2.gz NQLMMIJTYYEWKS-UHFFFAOYSA-N -1 1 345.786 2.980 20 10 EFCDMM COc1cc2c(cc1OC)CN(C(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193233146 1293207692 /nfs/dbraw/zinc/20/76/92/1293207692.db2.gz VJDLDPRFEYATRE-UHFFFAOYSA-N -1 1 349.770 2.924 20 10 EFCDMM O=C(NCc1cccnc1N1CCCC1)c1ccc(O)c([O-])c1Cl ZINC001193236657 1293208841 /nfs/dbraw/zinc/20/88/41/1293208841.db2.gz LLFIWNYBCWFODQ-UHFFFAOYSA-N -1 1 347.802 2.676 20 10 EFCDMM COc1cc2c(cc1C)C[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193236642 1293209446 /nfs/dbraw/zinc/20/94/46/1293209446.db2.gz KVIGCKXFUIPRDU-GFCCVEGCSA-N -1 1 347.798 2.965 20 10 EFCDMM CC(C)[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1cccc(N)n1 ZINC001193254314 1293216132 /nfs/dbraw/zinc/21/61/32/1293216132.db2.gz GPXJFWQBAZKBFV-CQSZACIVSA-N -1 1 335.791 2.856 20 10 EFCDMM O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(O)c([O-])c1Cl ZINC001193229100 1293225541 /nfs/dbraw/zinc/22/55/41/1293225541.db2.gz DMPWWBPCLNQEMN-UHFFFAOYSA-N -1 1 346.770 2.896 20 10 EFCDMM COCCn1ccc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000883001467 1293424347 /nfs/dbraw/zinc/42/43/47/1293424347.db2.gz FDOUTFAQSAEZRV-UHFFFAOYSA-N -1 1 344.184 2.749 20 10 EFCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(N2CCC(CO)CC2)cn1 ZINC000883050073 1293442891 /nfs/dbraw/zinc/44/28/91/1293442891.db2.gz CWOGPRXAOIWXGF-UHFFFAOYSA-N -1 1 349.381 2.886 20 10 EFCDMM O=S(=O)(Cc1noc2ccccc21)Nc1c(F)cc([O-])cc1F ZINC001194101203 1293531689 /nfs/dbraw/zinc/53/16/89/1293531689.db2.gz WYEFRYXEHAZMJT-UHFFFAOYSA-N -1 1 340.307 2.754 20 10 EFCDMM COc1cccc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1F ZINC000803726915 1313062573 /nfs/dbraw/zinc/06/25/73/1313062573.db2.gz CLSKQYPNNUCQRS-UHFFFAOYSA-N -1 1 348.326 2.604 20 10 EFCDMM COC(=O)C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235073566 1313236911 /nfs/dbraw/zinc/23/69/11/1313236911.db2.gz BKJNEFPATPWHPQ-SECBINFHSA-N -1 1 346.196 2.679 20 10 EFCDMM COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001235304558 1313286318 /nfs/dbraw/zinc/28/63/18/1313286318.db2.gz ZVIKSEIYVWROIC-NSHDSACASA-N -1 1 346.196 2.821 20 10 EFCDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)c(O)cc1F ZINC001201764395 1297061987 /nfs/dbraw/zinc/06/19/87/1297061987.db2.gz GEBUZJQFYZLZRB-UHFFFAOYSA-N -1 1 340.760 2.890 20 10 EFCDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000778568445 1297688706 /nfs/dbraw/zinc/68/87/06/1297688706.db2.gz VINFDFDKOVBGSB-UHFFFAOYSA-N -1 1 327.789 2.993 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2CC[C@@](C)(O)[C@@H](F)C2)c1 ZINC001236664985 1313506152 /nfs/dbraw/zinc/50/61/52/1313506152.db2.gz ZMFRTOCQVYNPNL-GXTWGEPZSA-N -1 1 332.213 2.758 20 10 EFCDMM CCN1C[C@@H](C)N(Cc2cc(C)cc(Br)c2[O-])CC1=O ZINC001236669161 1313506336 /nfs/dbraw/zinc/50/63/36/1313506336.db2.gz HDNIKNHEHUQVIK-LLVKDONJSA-N -1 1 341.249 2.516 20 10 EFCDMM CCOC(=O)[C@H]1CSCCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236807760 1313533448 /nfs/dbraw/zinc/53/34/48/1313533448.db2.gz ISWQOTVIYLQDFQ-CYBMUJFWSA-N -1 1 345.848 2.535 20 10 EFCDMM COc1cc([O-])c(CN2CCn3c(nnc3C(C)C)C2)c(Cl)c1 ZINC001236801898 1313532235 /nfs/dbraw/zinc/53/22/35/1313532235.db2.gz DSNDWSFRWSEQOV-UHFFFAOYSA-N -1 1 336.823 2.785 20 10 EFCDMM O=C1CN(Cc2cc(Cl)c(Cl)cc2[O-])CC2(CCCC2)N1 ZINC001236804435 1313532530 /nfs/dbraw/zinc/53/25/30/1313532530.db2.gz SQANSUCFDJNVNY-UHFFFAOYSA-N -1 1 329.227 2.944 20 10 EFCDMM COc1ccc(CN2CCN(c3ccccn3)CC2)c([O-])c1Cl ZINC001236806102 1313533208 /nfs/dbraw/zinc/53/32/08/1313533208.db2.gz MFGDTFKRLSWLDC-UHFFFAOYSA-N -1 1 333.819 2.771 20 10 EFCDMM C[C@@H]1CN(C2CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C[C@H](C)O1 ZINC001237086729 1313583665 /nfs/dbraw/zinc/58/36/65/1313583665.db2.gz OCLZMBLIOHNJQT-PHIMTYICSA-N -1 1 345.270 2.992 20 10 EFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(c2nccs2)CC1 ZINC001237120069 1313589905 /nfs/dbraw/zinc/58/99/05/1313589905.db2.gz IIDGXBYRNNLDJJ-UHFFFAOYSA-N -1 1 327.812 2.963 20 10 EFCDMM O=C(c1ccccn1)N1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125362 1313591150 /nfs/dbraw/zinc/59/11/50/1313591150.db2.gz DBUCQRSAEPLBSI-UHFFFAOYSA-N -1 1 349.793 2.538 20 10 EFCDMM C[C@@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306034533 1299442808 /nfs/dbraw/zinc/44/28/08/1299442808.db2.gz LWKFKDFJVVNZNY-SKDRFNHKSA-N -1 1 328.206 2.697 20 10 EFCDMM C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306034533 1299442814 /nfs/dbraw/zinc/44/28/14/1299442814.db2.gz LWKFKDFJVVNZNY-SKDRFNHKSA-N -1 1 328.206 2.697 20 10 EFCDMM CN1C(=O)C2(CCCC2)N[C@H]1c1ccc(Br)cc1[O-] ZINC000853007496 1299969206 /nfs/dbraw/zinc/96/92/06/1299969206.db2.gz BBLFHAUQCGQYQB-GFCCVEGCSA-N -1 1 325.206 2.528 20 10 EFCDMM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001276537045 1313701540 /nfs/dbraw/zinc/70/15/40/1313701540.db2.gz AYVTVJRODTXEOB-OKILXGFUSA-N -1 1 333.432 2.755 20 10 EFCDMM CCCOC1CN(Cc2cccc(I)c2[O-])C1 ZINC001237778709 1313703279 /nfs/dbraw/zinc/70/32/79/1313703279.db2.gz AFWNOUQWSFUXID-UHFFFAOYSA-N -1 1 347.196 2.608 20 10 EFCDMM CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001276537534 1313703854 /nfs/dbraw/zinc/70/38/54/1313703854.db2.gz JDKXSOFUNUHGFF-BBWFWOEESA-N -1 1 342.414 2.839 20 10 EFCDMM CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001276537901 1313704538 /nfs/dbraw/zinc/70/45/38/1313704538.db2.gz PHQVEJHVVPXKKF-INIZCTEOSA-N -1 1 342.414 2.840 20 10 EFCDMM CC1(C)COCCN1Cc1cccc(I)c1[O-] ZINC001237781139 1313705092 /nfs/dbraw/zinc/70/50/92/1313705092.db2.gz SRYBSEWVHXGQKF-UHFFFAOYSA-N -1 1 347.196 2.608 20 10 EFCDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2)c1Cl ZINC000776744930 1300591702 /nfs/dbraw/zinc/59/17/02/1300591702.db2.gz QMOLZYKPHMTVJI-UHFFFAOYSA-N -1 1 341.772 2.853 20 10 EFCDMM CN(Cc1cccc(I)c1[O-])CC(F)F ZINC001237789599 1313706682 /nfs/dbraw/zinc/70/66/82/1313706682.db2.gz TUTWRHWWUNDJEH-UHFFFAOYSA-N -1 1 327.112 2.694 20 10 EFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1Cl ZINC000776743873 1300614899 /nfs/dbraw/zinc/61/48/99/1300614899.db2.gz AXYKPKAPQKZLOG-UHFFFAOYSA-N -1 1 341.772 2.633 20 10 EFCDMM CCOCc1ncn2c1CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237938180 1313733579 /nfs/dbraw/zinc/73/35/79/1313733579.db2.gz VXKOLPARMXDTLX-UHFFFAOYSA-N -1 1 339.798 2.934 20 10 EFCDMM O=C1CN(Cc2cc(F)c(Cl)cc2[O-])CCN1C1CCCC1 ZINC001237936346 1313733994 /nfs/dbraw/zinc/73/39/94/1313733994.db2.gz IYGJUFPBDKJTJT-UHFFFAOYSA-N -1 1 326.799 2.772 20 10 EFCDMM COC[C@@H]1Cn2ccnc2CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237939534 1313734138 /nfs/dbraw/zinc/73/41/38/1313734138.db2.gz YCDKXQFMNIDROC-NSHDSACASA-N -1 1 339.798 2.660 20 10 EFCDMM CCOC(=O)[C@@H]1CSCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237940794 1313734634 /nfs/dbraw/zinc/73/46/34/1313734634.db2.gz NIWCICGFXJWUOL-LBPRGKRZSA-N -1 1 333.812 2.665 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000776854087 1301198449 /nfs/dbraw/zinc/19/84/49/1301198449.db2.gz OJXPLSZMDHAVIY-SNVBAGLBSA-N -1 1 340.851 2.983 20 10 EFCDMM C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC[C@H]1C(=O)[O-] ZINC000863740571 1302703282 /nfs/dbraw/zinc/70/32/82/1302703282.db2.gz XXRCPJWLAWHLDR-GXSJLCMTSA-N -1 1 328.206 2.697 20 10 EFCDMM CN1CC=C(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)CC1 ZINC001208857573 1314030520 /nfs/dbraw/zinc/03/05/20/1314030520.db2.gz MHTCIQOQQGKDJM-UHFFFAOYSA-N -1 1 334.375 2.799 20 10 EFCDMM COC(=O)c1cc2c(o1)c(OC)ccc2C=C1SC(=S)[N-]C1=O ZINC000748994647 1314231579 /nfs/dbraw/zinc/23/15/79/1314231579.db2.gz PXKWEGXJCKYTDR-WZUFQYTHSA-N -1 1 349.389 2.717 20 10 EFCDMM CN(c1cccc(Cl)c1[O-])S(=O)(=O)Cc1ccc(N)cc1 ZINC001210220423 1314297731 /nfs/dbraw/zinc/29/77/31/1314297731.db2.gz VTSWOAHPXULYHH-UHFFFAOYSA-N -1 1 326.805 2.594 20 10 EFCDMM CN(c1cccc([O-])c1Cl)S(=O)(=O)CCc1ccc(N)cc1 ZINC001210854510 1314400550 /nfs/dbraw/zinc/40/05/50/1314400550.db2.gz AWVKJJWWUUGFPT-UHFFFAOYSA-N -1 1 340.832 2.637 20 10 EFCDMM CSc1nc(Cl)ncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159277338 1311484460 /nfs/dbraw/zinc/48/44/60/1311484460.db2.gz UPGUUFCTTPADMQ-UHFFFAOYSA-N -1 1 325.777 2.558 20 10 EFCDMM CC(C)(C)OC(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC001159276066 1311484604 /nfs/dbraw/zinc/48/46/04/1311484604.db2.gz DJMKVNHECLTAAC-UHFFFAOYSA-N -1 1 344.367 2.743 20 10 EFCDMM CC(C)(C)OC(=O)c1ccnc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159275835 1311484741 /nfs/dbraw/zinc/48/47/41/1311484741.db2.gz AEIBDZRECLQHGW-UHFFFAOYSA-N -1 1 344.367 2.743 20 10 EFCDMM O=C(CNc1ccc(-c2ccccc2F)nn1)c1ccc([O-])c(O)c1 ZINC001159280181 1311485003 /nfs/dbraw/zinc/48/50/03/1311485003.db2.gz FAKYXLSEQXBCBI-UHFFFAOYSA-N -1 1 339.326 2.989 20 10 EFCDMM CCc1nc2sccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159280343 1311485022 /nfs/dbraw/zinc/48/50/22/1311485022.db2.gz MALKVSAXFZWPFZ-UHFFFAOYSA-N -1 1 329.381 2.960 20 10 EFCDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc(-c2ccncc2)n1 ZINC001159280218 1311485597 /nfs/dbraw/zinc/48/55/97/1311485597.db2.gz GVHYMNUVGSNUQS-UHFFFAOYSA-N -1 1 336.351 2.553 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1CCn2ccnc21 ZINC001227581103 1311824679 /nfs/dbraw/zinc/82/46/79/1311824679.db2.gz WYGIHLDGGSQIMQ-HNNXBMFYSA-N -1 1 346.342 2.888 20 10 EFCDMM CCN1CC[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227579926 1311824778 /nfs/dbraw/zinc/82/47/78/1311824778.db2.gz BFVRXOXNMBNLEB-LBPRGKRZSA-N -1 1 337.375 2.641 20 10 EFCDMM C[C@H]1C[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)CCO1 ZINC001228110606 1311900621 /nfs/dbraw/zinc/90/06/21/1311900621.db2.gz KXTXTNWHVOVKMV-FZMZJTMJSA-N -1 1 344.363 2.981 20 10 EFCDMM CC[C@@H](COC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228115184 1311901889 /nfs/dbraw/zinc/90/18/89/1311901889.db2.gz MBPSWELMHYLPCO-ZDUSSCGKSA-N -1 1 332.352 2.838 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC1CCOCC1 ZINC001228115315 1311902105 /nfs/dbraw/zinc/90/21/05/1311902105.db2.gz NOMCQXWDZYMMFQ-UHFFFAOYSA-N -1 1 330.336 2.592 20 10 EFCDMM CC[C@H](COC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228115183 1311902171 /nfs/dbraw/zinc/90/21/71/1311902171.db2.gz MBPSWELMHYLPCO-CYBMUJFWSA-N -1 1 332.352 2.838 20 10 EFCDMM O=C([O-])C[C@@H](O)C(=O)Oc1ccccc1N=Nc1ccccc1O ZINC001228418036 1311944957 /nfs/dbraw/zinc/94/49/57/1311944957.db2.gz DFQQHGPIJAEBNF-OYLHUBKDSA-N -1 1 330.296 2.549 20 10 EFCDMM CC(C)[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787287 1312139205 /nfs/dbraw/zinc/13/92/05/1312139205.db2.gz ULCCEEFDUCTNKH-SECBINFHSA-N -1 1 348.351 2.869 20 10 EFCDMM CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447438 1312499612 /nfs/dbraw/zinc/49/96/12/1312499612.db2.gz TYOQWMXTFXHDGJ-SFHVURJKSA-N -1 1 335.400 2.646 20 10 EFCDMM CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447438 1312499614 /nfs/dbraw/zinc/49/96/14/1312499614.db2.gz TYOQWMXTFXHDGJ-SFHVURJKSA-N -1 1 335.400 2.646 20 10 EFCDMM O=C([O-])c1ccc(CN2CCN(c3ccccc3F)CC2)c(O)c1 ZINC001231451719 1312500612 /nfs/dbraw/zinc/50/06/12/1312500612.db2.gz RROSYZBVGKBPCK-UHFFFAOYSA-N -1 1 330.359 2.552 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CCc3nn(-c4ccccc4)cc3C2)c1 ZINC001231565590 1312526535 /nfs/dbraw/zinc/52/65/35/1312526535.db2.gz HREPSKQFCRBGMQ-UHFFFAOYSA-N -1 1 349.390 2.834 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001231566222 1312526569 /nfs/dbraw/zinc/52/65/69/1312526569.db2.gz VKAOYZPYFFYHLC-KRWDZBQOSA-N -1 1 327.380 2.534 20 10 EFCDMM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc2ccccc2c1O ZINC001231880544 1312579993 /nfs/dbraw/zinc/57/99/93/1312579993.db2.gz HNQCRIJOAUGKON-BJWYYQGGSA-N -1 1 341.407 2.698 20 10 EFCDMM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)c([O-])cc1O ZINC001232262185 1312661375 /nfs/dbraw/zinc/66/13/75/1312661375.db2.gz BRVCDDVGJSABGB-HNNXBMFYSA-N -1 1 347.798 2.851 20 10 EFCDMM O=C1c2cccc(O)c2C(=O)c2c([O-])cc(-c3nnc(C4CC4)o3)cc21 ZINC001254055017 1315669903 /nfs/dbraw/zinc/66/99/03/1315669903.db2.gz XNAGMSACJGYZDA-UHFFFAOYSA-N -1 1 348.314 2.801 20 10 EFCDMM CC(C)(C)c1nc(CCNC(=O)c2c(F)ccc(O)c2[O-])cs1 ZINC000827573967 1316001415 /nfs/dbraw/zinc/00/14/15/1316001415.db2.gz QNRIBFWEMZFHGS-UHFFFAOYSA-N -1 1 338.404 2.963 20 10 EFCDMM CC(C)(C)Oc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000827617605 1316003889 /nfs/dbraw/zinc/00/38/89/1316003889.db2.gz CKMUCYGDUGHCPR-UHFFFAOYSA-N -1 1 334.347 2.739 20 10 EFCDMM O=c1[n-]c(=S)[nH]cc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256981847 1316017325 /nfs/dbraw/zinc/01/73/25/1316017325.db2.gz SJJGKBFSWGVTNJ-UHFFFAOYSA-N -1 1 337.364 2.979 20 10 EFCDMM COc1ccc(CS(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001259899737 1316294766 /nfs/dbraw/zinc/29/47/66/1316294766.db2.gz WHRQDZGQZHQNQS-UHFFFAOYSA-N -1 1 329.324 2.621 20 10 EFCDMM O=S(=O)([N-]c1cc(F)c(O)cc1F)c1c(F)cc(F)cc1F ZINC001260354250 1316334001 /nfs/dbraw/zinc/33/40/01/1316334001.db2.gz YAAIRQUZKNRWDC-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM Cc1cc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)cc1O ZINC001260441514 1316339089 /nfs/dbraw/zinc/33/90/89/1316339089.db2.gz MLOAFOUNRLDHHR-UHFFFAOYSA-N -1 1 339.760 2.691 20 10 EFCDMM COc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1C ZINC001260637827 1316351814 /nfs/dbraw/zinc/35/18/14/1316351814.db2.gz RNFFOIRWJXZKCS-UHFFFAOYSA-N -1 1 329.324 2.788 20 10 EFCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c1 ZINC001260844821 1316374019 /nfs/dbraw/zinc/37/40/19/1316374019.db2.gz HQWPJLFXYMBAFO-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM O=S(=O)([N-]Cc1ccccc1O)c1cnc(Cl)cc1Cl ZINC001319780044 1328986916 /nfs/dbraw/zinc/98/69/16/1328986916.db2.gz WXAVYHYSCOKMCS-UHFFFAOYSA-N -1 1 333.196 2.573 20 10 EFCDMM Cc1oc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1C(=O)[O-] ZINC001339119306 1331795311 /nfs/dbraw/zinc/79/53/11/1331795311.db2.gz XMCGQNQWPOGULT-UHFFFAOYSA-N -1 1 344.411 2.755 20 10 EFCDMM Cc1csc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC001339126411 1331797202 /nfs/dbraw/zinc/79/72/02/1331797202.db2.gz QYUPJXVMAXVABB-UHFFFAOYSA-N -1 1 327.203 2.850 20 10 EFCDMM C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001347209924 1332724125 /nfs/dbraw/zinc/72/41/25/1332724125.db2.gz AXAZTJOPHYDWAO-UHFFFAOYSA-N -1 1 349.774 2.685 20 10 EFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001350979210 1333162070 /nfs/dbraw/zinc/16/20/70/1333162070.db2.gz GTZKGBBOKQADAZ-UHFFFAOYSA-N -1 1 346.456 2.508 20 10 EFCDMM CC(C)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000848391178 1334704257 /nfs/dbraw/zinc/70/42/57/1334704257.db2.gz YWABFNLPWDHOBY-JTQLQIEISA-N -1 1 341.379 2.581 20 10 EFCDMM O=C(Cn1ccnc1[C@@H](O)C1CCCCC1)c1ccc([O-])c(O)c1 ZINC000849944047 1335816657 /nfs/dbraw/zinc/81/66/57/1335816657.db2.gz ZVAHEFLNGVYTTH-KRWDZBQOSA-N -1 1 330.384 2.791 20 10 EFCDMM CCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367915 1429302136 /nfs/dbraw/zinc/30/21/36/1429302136.db2.gz XOJZRZNHBHCLHP-RUDMXATFSA-N -1 1 334.383 2.636 20 10 EFCDMM CCN(CC)c1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000736532005 1429337059 /nfs/dbraw/zinc/33/70/59/1429337059.db2.gz OXONWPMKDFWOIW-UHFFFAOYSA-N -1 1 341.394 2.859 20 10 EFCDMM Oc1c(Br)cccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000048796556 1424813346 /nfs/dbraw/zinc/81/33/46/1424813346.db2.gz KVQQAOIGUKTDJA-UHFFFAOYSA-N -1 1 346.188 2.947 20 10 EFCDMM C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Cl)ccc1[O-] ZINC000825975953 1425167654 /nfs/dbraw/zinc/16/76/54/1425167654.db2.gz CBLMGRGBJBMCAG-UHFFFAOYSA-N -1 1 329.791 2.858 20 10 EFCDMM C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Cl)ccc1[O-] ZINC000825975953 1425167658 /nfs/dbraw/zinc/16/76/58/1425167658.db2.gz CBLMGRGBJBMCAG-UHFFFAOYSA-N -1 1 329.791 2.858 20 10 EFCDMM Cc1cc(C(=O)NCC(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737235628 1425287570 /nfs/dbraw/zinc/28/75/70/1425287570.db2.gz WLNGCIHOUROTDV-UHFFFAOYSA-N -1 1 338.415 2.660 20 10 EFCDMM C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc(Cl)c1[O-] ZINC000825976764 1426800005 /nfs/dbraw/zinc/80/00/05/1426800005.db2.gz PJRGMEJMESUNCT-UHFFFAOYSA-N -1 1 329.791 2.858 20 10 EFCDMM C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617283 1427475872 /nfs/dbraw/zinc/47/58/72/1427475872.db2.gz GBUCQDPAIAPRFM-LLVKDONJSA-N -1 1 339.374 2.792 20 10 EFCDMM C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824617283 1427475875 /nfs/dbraw/zinc/47/58/75/1427475875.db2.gz GBUCQDPAIAPRFM-LLVKDONJSA-N -1 1 339.374 2.792 20 10 EFCDMM Oc1ccc(Br)cc1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000826510912 1442207818 /nfs/dbraw/zinc/20/78/18/1442207818.db2.gz RBMHXOISMHUWQD-UHFFFAOYSA-N -1 1 346.188 2.947 20 10 EFCDMM COc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826209071 1443887704 /nfs/dbraw/zinc/88/77/04/1443887704.db2.gz LMIUPVFKPTWMNB-UHFFFAOYSA-N -1 1 325.372 2.520 20 10 EFCDMM COc1ccc(N(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000821828368 1447149741 /nfs/dbraw/zinc/14/97/41/1447149741.db2.gz UHWXQQVEJLKOEG-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM CC[C@](O)(CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000840620178 717602124 /nfs/dbraw/zinc/60/21/24/717602124.db2.gz ATTTXUSZSXPNOD-IBGZPJMESA-N -1 1 344.363 2.512 20 10 EFCDMM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893949554 720179571 /nfs/dbraw/zinc/17/95/71/720179571.db2.gz NEDCGQZGIRLNLP-QMMMGPOBSA-N -1 1 348.624 2.803 20 10 EFCDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1[N+](=O)[O-] ZINC000189322250 720599929 /nfs/dbraw/zinc/59/99/29/720599929.db2.gz QGAJIOWBQFCTAL-UHFFFAOYSA-N -1 1 340.332 2.857 20 10 EFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000840998648 725532293 /nfs/dbraw/zinc/53/22/93/725532293.db2.gz MUIWJPLRHKNAJB-AWEZNQCLSA-N -1 1 328.206 2.760 20 10 EFCDMM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000911745749 727592403 /nfs/dbraw/zinc/59/24/03/727592403.db2.gz UFIPZIWIXXLKHC-JGVFFNPUSA-N -1 1 332.183 2.816 20 10 EFCDMM O=C(COC(=O)c1ccc2ccccc2c1O)c1ccc([O-])c(O)c1 ZINC000916611508 727701473 /nfs/dbraw/zinc/70/14/73/727701473.db2.gz OOHXGNKLRAMFCE-UHFFFAOYSA-N -1 1 338.315 2.996 20 10 EFCDMM O=C(COC(=O)c1cnc(Cl)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000916617692 727701979 /nfs/dbraw/zinc/70/19/79/727701979.db2.gz XLKRLPQXTCEELN-UHFFFAOYSA-N -1 1 342.134 2.839 20 10 EFCDMM CCCC[C@@H](CC)CNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920976840 729249941 /nfs/dbraw/zinc/24/99/41/729249941.db2.gz YBERRBBYEHPMHZ-JFBXQDQPSA-N -1 1 339.505 2.576 20 10 EFCDMM CSc1ccccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920977096 729250207 /nfs/dbraw/zinc/25/02/07/729250207.db2.gz YDJJDXZNBSWDGS-FLIBITNWSA-N -1 1 349.481 2.604 20 10 EFCDMM CO[C@@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000170842219 729509574 /nfs/dbraw/zinc/50/95/74/729509574.db2.gz SSZGUTZSMBXHMD-OAHLLOKOSA-N -1 1 341.407 2.940 20 10 EFCDMM CO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000170842219 729509577 /nfs/dbraw/zinc/50/95/77/729509577.db2.gz SSZGUTZSMBXHMD-OAHLLOKOSA-N -1 1 341.407 2.940 20 10 EFCDMM CO[C@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000170842222 729509753 /nfs/dbraw/zinc/50/97/53/729509753.db2.gz SSZGUTZSMBXHMD-HNNXBMFYSA-N -1 1 341.407 2.940 20 10 EFCDMM CO[C@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000170842222 729509757 /nfs/dbraw/zinc/50/97/57/729509757.db2.gz SSZGUTZSMBXHMD-HNNXBMFYSA-N -1 1 341.407 2.940 20 10 EFCDMM O=C([O-])[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)C[C@H]1C1CC1 ZINC001595191546 952286284 /nfs/dbraw/zinc/28/62/84/952286284.db2.gz VMZOTWRVQZQMKO-WDEREUQCSA-N -1 1 340.217 2.697 20 10 EFCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)C[C@H]1C1CC1 ZINC001595191546 952286289 /nfs/dbraw/zinc/28/62/89/952286289.db2.gz VMZOTWRVQZQMKO-WDEREUQCSA-N -1 1 340.217 2.697 20 10 EFCDMM O=C([O-])C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC=CC1 ZINC001594863280 954296855 /nfs/dbraw/zinc/29/68/55/954296855.db2.gz ZJVNOZQVPARPNN-UHFFFAOYSA-N -1 1 330.167 2.736 20 10 EFCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC001588528263 958884008 /nfs/dbraw/zinc/88/40/08/958884008.db2.gz VSTJWSRMPWBWHL-INIZCTEOSA-N -1 1 331.343 2.519 20 10 EFCDMM C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])[C@H]1C(=O)[O-] ZINC001573725094 959892378 /nfs/dbraw/zinc/89/23/78/959892378.db2.gz BFCSBEYKBXRGHP-TVQRCGJNSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])[C@H]1C(=O)[O-] ZINC001573725094 959892388 /nfs/dbraw/zinc/89/23/88/959892388.db2.gz BFCSBEYKBXRGHP-TVQRCGJNSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C(=O)[O-] ZINC001573725092 959892525 /nfs/dbraw/zinc/89/25/25/959892525.db2.gz BFCSBEYKBXRGHP-RNCFNFMXSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C(=O)[O-] ZINC001573725092 959892536 /nfs/dbraw/zinc/89/25/36/959892536.db2.gz BFCSBEYKBXRGHP-RNCFNFMXSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000235423729 960431914 /nfs/dbraw/zinc/43/19/14/960431914.db2.gz YLOBXCGLIAFGNC-CQSZACIVSA-N -1 1 328.206 2.841 20 10 EFCDMM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000235423729 960431926 /nfs/dbraw/zinc/43/19/26/960431926.db2.gz YLOBXCGLIAFGNC-CQSZACIVSA-N -1 1 328.206 2.841 20 10 EFCDMM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708073203 969032531 /nfs/dbraw/zinc/03/25/31/969032531.db2.gz ZNJZASRIWXPVIZ-JTQLQIEISA-N -1 1 334.597 2.857 20 10 EFCDMM O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708073203 969032540 /nfs/dbraw/zinc/03/25/40/969032540.db2.gz ZNJZASRIWXPVIZ-JTQLQIEISA-N -1 1 334.597 2.857 20 10 EFCDMM C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@@H]1C(=O)[O-] ZINC000715790527 969084332 /nfs/dbraw/zinc/08/43/32/969084332.db2.gz UIVTYCBRALGZKC-KCJUWKMLSA-N -1 1 346.196 2.836 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000863534744 969310891 /nfs/dbraw/zinc/31/08/91/969310891.db2.gz PZRCFVHDQAOBOW-NOZJJQNGSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000863534744 969310896 /nfs/dbraw/zinc/31/08/96/969310896.db2.gz PZRCFVHDQAOBOW-NOZJJQNGSA-N -1 1 325.792 2.791 20 10 EFCDMM CC(C)C[C@@H](C[NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864514281 969330173 /nfs/dbraw/zinc/33/01/73/969330173.db2.gz RQDOLTDSLUKULM-JTQLQIEISA-N -1 1 330.222 2.991 20 10 EFCDMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Br)cc(F)c1O ZINC001605011341 972613715 /nfs/dbraw/zinc/61/37/15/972613715.db2.gz IHRKFJJPKLOYQI-RDDDGLTNSA-N -1 1 332.169 2.731 20 10 EFCDMM C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC001605011341 972613722 /nfs/dbraw/zinc/61/37/22/972613722.db2.gz IHRKFJJPKLOYQI-RDDDGLTNSA-N -1 1 332.169 2.731 20 10 EFCDMM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC001605011341 972613726 /nfs/dbraw/zinc/61/37/26/972613726.db2.gz IHRKFJJPKLOYQI-RDDDGLTNSA-N -1 1 332.169 2.731 20 10 EFCDMM O=C([O-])C[C@H]1CSCCN1Cc1ccc(Br)cc1O ZINC000691424166 976354862 /nfs/dbraw/zinc/35/48/62/976354862.db2.gz SGAQSTDBHFOEST-NSHDSACASA-N -1 1 346.246 2.547 20 10 EFCDMM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424166 976354878 /nfs/dbraw/zinc/35/48/78/976354878.db2.gz SGAQSTDBHFOEST-NSHDSACASA-N -1 1 346.246 2.547 20 10 EFCDMM O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691424166 976354899 /nfs/dbraw/zinc/35/48/99/976354899.db2.gz SGAQSTDBHFOEST-NSHDSACASA-N -1 1 346.246 2.547 20 10 EFCDMM O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Br)cc1[O-])C2 ZINC000701537410 977023298 /nfs/dbraw/zinc/02/32/98/977023298.db2.gz XSKUOOVBYXOWES-NHYWBVRUSA-N -1 1 340.217 2.841 20 10 EFCDMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Br)cc1[O-])C2 ZINC000701537410 977023307 /nfs/dbraw/zinc/02/33/07/977023307.db2.gz XSKUOOVBYXOWES-NHYWBVRUSA-N -1 1 340.217 2.841 20 10 EFCDMM CSc1cc(O)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000792703227 978800815 /nfs/dbraw/zinc/80/08/15/978800815.db2.gz QQDLNYDZYKGSGC-UHFFFAOYSA-N -1 1 345.423 2.675 20 10 EFCDMM O=C([O-])CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC000843041759 979330937 /nfs/dbraw/zinc/33/09/37/979330937.db2.gz VSHJHNOLVUYOFN-UHFFFAOYSA-N -1 1 331.771 2.640 20 10 EFCDMM CN(C)c1cc(F)c(CNCc2ccccc2CC(=O)[O-])cc1F ZINC000864504893 979938282 /nfs/dbraw/zinc/93/82/82/979938282.db2.gz SBBGNTFRXWPFJI-UHFFFAOYSA-N -1 1 334.366 2.948 20 10 EFCDMM CCCN(CCC)c1ccc(CN2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000902002216 980680822 /nfs/dbraw/zinc/68/08/22/980680822.db2.gz NEHGTRAWCXHZLH-SFHVURJKSA-N -1 1 334.460 2.989 20 10 EFCDMM O=C([O-])[C@@H]1C[N@H+](Cc2cc(Br)ccc2[O-])C[C@H]1C1CC1 ZINC000904431381 981085164 /nfs/dbraw/zinc/08/51/64/981085164.db2.gz XRBAIMWPNNNZRA-QWHCGFSZSA-N -1 1 340.217 2.697 20 10 EFCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])C[C@H]1C1CC1 ZINC000904431381 981085168 /nfs/dbraw/zinc/08/51/68/981085168.db2.gz XRBAIMWPNNNZRA-QWHCGFSZSA-N -1 1 340.217 2.697 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1[O-] ZINC000923528948 982858257 /nfs/dbraw/zinc/85/82/57/982858257.db2.gz WJKFVPHDOPSOEY-LSDHHAIUSA-N -1 1 337.803 2.791 20 10 EFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1[O-] ZINC000923528948 982858262 /nfs/dbraw/zinc/85/82/62/982858262.db2.gz WJKFVPHDOPSOEY-LSDHHAIUSA-N -1 1 337.803 2.791 20 10 EFCDMM CC(C)(NCc1c(O)ccc(Cl)c1F)c1nocc1C(=O)[O-] ZINC001590871549 990779280 /nfs/dbraw/zinc/77/92/80/990779280.db2.gz ZXQYRWACJGUUEF-UHFFFAOYSA-N -1 1 328.727 2.896 20 10 EFCDMM COCC1(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCC1 ZINC001599198337 997258541 /nfs/dbraw/zinc/25/85/41/997258541.db2.gz PTIPXXSEXSBJJW-UHFFFAOYSA-N -1 1 327.808 2.749 20 10 EFCDMM COCC1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCC1 ZINC001599198337 997258550 /nfs/dbraw/zinc/25/85/50/997258550.db2.gz PTIPXXSEXSBJJW-UHFFFAOYSA-N -1 1 327.808 2.749 20 10 EFCDMM COc1c([O-])c(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001599345636 998000132 /nfs/dbraw/zinc/00/01/32/998000132.db2.gz YEQWZXBASMUFJU-UHFFFAOYSA-N -1 1 346.339 2.639 20 10 EFCDMM COc1c([O-])c(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001599345636 998000145 /nfs/dbraw/zinc/00/01/45/998000145.db2.gz YEQWZXBASMUFJU-UHFFFAOYSA-N -1 1 346.339 2.639 20 10 EFCDMM COC[C@@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C(C)C ZINC001599163850 998506163 /nfs/dbraw/zinc/50/61/63/998506163.db2.gz WUDNOADZPXCJIN-CYBMUJFWSA-N -1 1 329.824 2.851 20 10 EFCDMM COC[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C(C)C ZINC001599163850 998506174 /nfs/dbraw/zinc/50/61/74/998506174.db2.gz WUDNOADZPXCJIN-CYBMUJFWSA-N -1 1 329.824 2.851 20 10 EFCDMM CO[C@](C)(C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1CC1 ZINC001599035677 999081314 /nfs/dbraw/zinc/08/13/14/999081314.db2.gz CEFXULNLLZZDKC-MRXNPFEDSA-N -1 1 327.808 2.747 20 10 EFCDMM CO[C@](C)(C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1CC1 ZINC001599035677 999081319 /nfs/dbraw/zinc/08/13/19/999081319.db2.gz CEFXULNLLZZDKC-MRXNPFEDSA-N -1 1 327.808 2.747 20 10 EFCDMM C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594424014 999585636 /nfs/dbraw/zinc/58/56/36/999585636.db2.gz OKIQKZXESJEVSQ-JOYOIKCWSA-N -1 1 328.206 2.840 20 10 EFCDMM C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594424014 999585639 /nfs/dbraw/zinc/58/56/39/999585639.db2.gz OKIQKZXESJEVSQ-JOYOIKCWSA-N -1 1 328.206 2.840 20 10 EFCDMM Nc1nc(CNCc2cc(Br)cc(F)c2[O-])cs1 ZINC001580468525 1090910825 /nfs/dbraw/zinc/91/08/25/1090910825.db2.gz CQASFYNNSCBZFM-UHFFFAOYSA-N -1 1 332.198 2.622 20 10 EFCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001591141393 1093672413 /nfs/dbraw/zinc/67/24/13/1093672413.db2.gz MCPSHJWXLWAICV-UHFFFAOYSA-N -1 1 349.442 2.888 20 10 EFCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001591141393 1093672416 /nfs/dbraw/zinc/67/24/16/1093672416.db2.gz MCPSHJWXLWAICV-UHFFFAOYSA-N -1 1 349.442 2.888 20 10 EFCDMM Cc1cc(CNc2ccc(-c3nnn[n-]3)nn2)c(C)n1-c1ccccc1 ZINC001591969608 1093937730 /nfs/dbraw/zinc/93/77/30/1093937730.db2.gz GRWQSFRJDCCKJM-UHFFFAOYSA-N -1 1 346.398 2.676 20 10 EFCDMM Cc1cc(CNc2ccc(-c3nn[n-]n3)nn2)c(C)n1-c1ccccc1 ZINC001591969608 1093937736 /nfs/dbraw/zinc/93/77/36/1093937736.db2.gz GRWQSFRJDCCKJM-UHFFFAOYSA-N -1 1 346.398 2.676 20 10 EFCDMM Cc1c(C(=O)[O-])cc(CNCc2cc(F)c(N(C)C)cc2F)n1C ZINC001599996911 1094710369 /nfs/dbraw/zinc/71/03/69/1094710369.db2.gz QCEQJNMSJOYSPH-UHFFFAOYSA-N -1 1 337.370 2.666 20 10 EFCDMM Cc1cc([O-])c(C[NH2+][C@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1Cl ZINC001600285699 1094945968 /nfs/dbraw/zinc/94/59/68/1094945968.db2.gz GDPZHKIAYCPNIP-SMDDNHRTSA-N -1 1 327.808 2.714 20 10 EFCDMM Cc1cc(O)ccc1NS(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001600286496 1094946230 /nfs/dbraw/zinc/94/62/30/1094946230.db2.gz KZESJCMCEQKQSM-UHFFFAOYSA-N -1 1 341.772 2.853 20 10 EFCDMM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001601757374 1095890945 /nfs/dbraw/zinc/89/09/45/1095890945.db2.gz SKMAFJRRXNGNJX-WLTAIBSBSA-N -1 1 340.763 2.639 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CC2(CCC2)CO1 ZINC001602057184 1096045794 /nfs/dbraw/zinc/04/57/94/1096045794.db2.gz MQXLJJVYHDIHHV-CQSZACIVSA-N -1 1 339.819 2.891 20 10 EFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CC2(CCC2)CO1 ZINC001602057184 1096045805 /nfs/dbraw/zinc/04/58/05/1096045805.db2.gz MQXLJJVYHDIHHV-CQSZACIVSA-N -1 1 339.819 2.891 20 10 EFCDMM CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])Cc1cccc(Cl)c1[O-] ZINC001603373110 1096516362 /nfs/dbraw/zinc/51/63/62/1096516362.db2.gz MXVCNADKAUCJLM-UHFFFAOYSA-N -1 1 343.807 2.664 20 10 EFCDMM CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])Cc1cccc(Cl)c1[O-] ZINC001603373110 1096516367 /nfs/dbraw/zinc/51/63/67/1096516367.db2.gz MXVCNADKAUCJLM-UHFFFAOYSA-N -1 1 343.807 2.664 20 10 EFCDMM CC[C@H](Nc1cc(COC)ccn1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604063539 1096716881 /nfs/dbraw/zinc/71/68/81/1096716881.db2.gz GMVVQLNBXFNUKC-AWEZNQCLSA-N -1 1 340.387 2.677 20 10 EFCDMM CC1=NC(=S)N[C@H](c2ccc(N3CCCCC3)cc2)C1C(=O)[O-] ZINC001604607167 1096914110 /nfs/dbraw/zinc/91/41/10/1096914110.db2.gz KHYVRZXUNAMXMV-OAHLLOKOSA-N -1 1 331.441 2.554 20 10 EFCDMM Cc1nsc(NCc2ccc(N3CC=CC3)cc2)c1-c1nn[n-]n1 ZINC001606162488 1097332922 /nfs/dbraw/zinc/33/29/22/1097332922.db2.gz WIAXBQULOPALPB-UHFFFAOYSA-N -1 1 339.428 2.620 20 10 EFCDMM Oc1ccc(Cl)cc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001607111436 1097518545 /nfs/dbraw/zinc/51/85/45/1097518545.db2.gz WFLOAFUIHTYJAG-UHFFFAOYSA-N -1 1 337.170 2.886 20 10 EFCDMM Oc1ccc(Cl)cc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001607111436 1097518550 /nfs/dbraw/zinc/51/85/50/1097518550.db2.gz WFLOAFUIHTYJAG-UHFFFAOYSA-N -1 1 337.170 2.886 20 10 EFCDMM COc1cccc(O)c1CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001607326284 1097601559 /nfs/dbraw/zinc/60/15/59/1097601559.db2.gz BQRUBFXDIBVKKR-UHFFFAOYSA-N -1 1 331.343 2.796 20 10 EFCDMM O=C([O-])c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c[nH]1 ZINC001608462559 1097925825 /nfs/dbraw/zinc/92/58/25/1097925825.db2.gz ABXJFBNOTTVPDY-UHFFFAOYSA-N -1 1 329.139 2.655 20 10 EFCDMM O=C([O-])CN(Cc1cc(F)ccc1O)Cc1cc(Cl)ccc1O ZINC001608746900 1098010242 /nfs/dbraw/zinc/01/02/42/1098010242.db2.gz RNTXOLVCUXEIRS-UHFFFAOYSA-N -1 1 339.750 2.977 20 10 EFCDMM O=C([O-])C[N@@H+](Cc1cccc(Br)c1[O-])C1CCCC1 ZINC001608747898 1098010543 /nfs/dbraw/zinc/01/05/43/1098010543.db2.gz RNZYOPZZVOFIMV-UHFFFAOYSA-N -1 1 328.206 2.984 20 10 EFCDMM CC1(C)CC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)O1 ZINC001609815056 1098466424 /nfs/dbraw/zinc/46/64/24/1098466424.db2.gz CKNCKDZVNYWWSK-ZDUSSCGKSA-N -1 1 327.808 2.890 20 10 EFCDMM CC1(C)CC[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001609815056 1098466427 /nfs/dbraw/zinc/46/64/27/1098466427.db2.gz CKNCKDZVNYWWSK-ZDUSSCGKSA-N -1 1 327.808 2.890 20 10 EFCDMM CC1(C)CC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001609815056 1098466431 /nfs/dbraw/zinc/46/64/31/1098466431.db2.gz CKNCKDZVNYWWSK-ZDUSSCGKSA-N -1 1 327.808 2.890 20 10 EFCDMM COC(=O)c1ccc([O-])c([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)c1 ZINC000840824463 1101758087 /nfs/dbraw/zinc/75/80/87/1101758087.db2.gz JLEYEVZHGONBKS-MRXNPFEDSA-N -1 1 340.379 2.592 20 10 EFCDMM CC(C)n1[nH]cnc1=NCc1cc(Br)cc(F)c1[O-] ZINC000905414967 1103157886 /nfs/dbraw/zinc/15/78/86/1103157886.db2.gz VVMYFQFFKMJQOX-UHFFFAOYSA-N -1 1 329.173 2.500 20 10 EFCDMM [O-]c1c(F)cc(Br)cc1CNc1nc2n(n1)CCCC2 ZINC000905415066 1103159603 /nfs/dbraw/zinc/15/96/03/1103159603.db2.gz YHCZEVLCHCFULR-UHFFFAOYSA-N -1 1 341.184 2.834 20 10 EFCDMM CC(C)(C)CC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527246 1106182503 /nfs/dbraw/zinc/18/25/03/1106182503.db2.gz PTMVYDVLQOWFHK-UHFFFAOYSA-N -1 1 326.387 2.751 20 10 EFCDMM O=C(c1cccs1)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527216 1106182688 /nfs/dbraw/zinc/18/26/88/1106182688.db2.gz OPKOUCUSXMVMGF-UHFFFAOYSA-N -1 1 338.379 2.690 20 10 EFCDMM O=C1CN(Cc2cc(F)c(F)cc2[O-])CCN1c1ccc(F)cc1 ZINC001142527493 1106184808 /nfs/dbraw/zinc/18/48/08/1106184808.db2.gz WUZGXQZAGZEZRS-UHFFFAOYSA-N -1 1 336.313 2.658 20 10 EFCDMM O=C(COC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc([O-])c(O)c1 ZINC000783859666 1106420685 /nfs/dbraw/zinc/42/06/85/1106420685.db2.gz USMZNDBKPYQGRO-RYUDHWBXSA-N -1 1 348.301 2.906 20 10 EFCDMM CCn1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cc1=O ZINC001168525396 1112404362 /nfs/dbraw/zinc/40/43/62/1112404362.db2.gz CCIKPGKGNLJLML-UHFFFAOYSA-N -1 1 330.775 2.783 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCCO1 ZINC000277288825 295694803 /nfs/dbraw/zinc/69/48/03/295694803.db2.gz BKLFURJKQLSMQG-NSHDSACASA-N -1 1 343.221 2.523 20 10 EFCDMM COc1ccccc1[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295923930 241066206 /nfs/dbraw/zinc/06/62/06/241066206.db2.gz SAIDZBRPYFBWNZ-LLVKDONJSA-N -1 1 331.343 2.875 20 10 EFCDMM O=C(CSc1nnnn1C1CCCCC1)c1ccc([O-])c(O)c1 ZINC000016295012 471930400 /nfs/dbraw/zinc/93/04/00/471930400.db2.gz ZNLQTRRWAQNRFT-UHFFFAOYSA-N -1 1 334.401 2.565 20 10 EFCDMM COc1ccc(N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1F ZINC000084937290 472228573 /nfs/dbraw/zinc/22/85/73/472228573.db2.gz HGWVPWKJOMGIIM-UHFFFAOYSA-N -1 1 348.349 2.641 20 10 EFCDMM O=C1NCCN1[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092188787 472871527 /nfs/dbraw/zinc/87/15/27/472871527.db2.gz JRTDUNNGMJAQSE-LBPRGKRZSA-N -1 1 344.242 2.689 20 10 EFCDMM O=C([N-][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000134266197 472889749 /nfs/dbraw/zinc/88/97/49/472889749.db2.gz OEOHVHXLVCALNI-NSHDSACASA-N -1 1 336.741 2.689 20 10 EFCDMM CS[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158084197 472891015 /nfs/dbraw/zinc/89/10/15/472891015.db2.gz GPYIDBBEVIEBAJ-BXUZGUMPSA-N -1 1 342.892 2.878 20 10 EFCDMM CS[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158084342 472891179 /nfs/dbraw/zinc/89/11/79/472891179.db2.gz GPYIDBBEVIEBAJ-FZMZJTMJSA-N -1 1 342.892 2.878 20 10 EFCDMM Cc1ccc(C)n1-c1ccsc1C(=O)NCc1n[n-]c(=S)n1C ZINC000066625911 473127765 /nfs/dbraw/zinc/12/77/65/473127765.db2.gz HSSFNIPKYUQGMG-UHFFFAOYSA-N -1 1 347.469 2.877 20 10 EFCDMM CC(C)n1cnc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000282382370 474045524 /nfs/dbraw/zinc/04/55/24/474045524.db2.gz PKROHAUAMPATOL-UHFFFAOYSA-N -1 1 338.205 2.862 20 10 EFCDMM CCCOc1ccc(C[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)c(O)c1 ZINC000289209959 474184466 /nfs/dbraw/zinc/18/44/66/474184466.db2.gz BXUKXTXYTHNMBQ-JWCWZOIMSA-N -1 1 325.474 2.912 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)[S@](=O)CC2)c1[O-] ZINC000277126629 474578505 /nfs/dbraw/zinc/57/85/05/474578505.db2.gz ICRXPEVLSJFFEM-LADRHHBVSA-N -1 1 329.849 2.591 20 10 EFCDMM CCOC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277334621 474582678 /nfs/dbraw/zinc/58/26/78/474582678.db2.gz FJOUUUNCWMONNW-UHFFFAOYSA-N -1 1 345.237 2.769 20 10 EFCDMM CSCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277356918 474583203 /nfs/dbraw/zinc/58/32/03/474583203.db2.gz GSQOUGNQXBUYAS-UHFFFAOYSA-N -1 1 333.251 2.707 20 10 EFCDMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277475236 474587607 /nfs/dbraw/zinc/58/76/07/474587607.db2.gz PDUPVJJVWJKPCE-KOLCDFICSA-N -1 1 343.221 2.521 20 10 EFCDMM C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CCCOC1 ZINC000277530719 474588536 /nfs/dbraw/zinc/58/85/36/474588536.db2.gz MLGSSZQFLINEQR-CQSZACIVSA-N -1 1 328.206 2.588 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCSC1 ZINC000277735573 474594346 /nfs/dbraw/zinc/59/43/46/474594346.db2.gz LUKNSNRMJKXPMV-SNVBAGLBSA-N -1 1 345.262 2.850 20 10 EFCDMM COCC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000291951488 474770586 /nfs/dbraw/zinc/77/05/86/474770586.db2.gz VKPWBWVFMBUENI-UHFFFAOYSA-N -1 1 345.237 2.627 20 10 EFCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](c2ccsc2)O1 ZINC000295129562 475105199 /nfs/dbraw/zinc/10/51/99/475105199.db2.gz NJCQVWMCBCEBPU-NOZJJQNGSA-N -1 1 337.372 2.901 20 10 EFCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](c2ccsc2)O1 ZINC000295129567 475105873 /nfs/dbraw/zinc/10/58/73/475105873.db2.gz NJCQVWMCBCEBPU-TVQRCGJNSA-N -1 1 337.372 2.901 20 10 EFCDMM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1c([O-])c(O)ccc1F ZINC000295360658 475121930 /nfs/dbraw/zinc/12/19/30/475121930.db2.gz OXBWTANFSSZFSQ-NSHDSACASA-N -1 1 348.349 2.727 20 10 EFCDMM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1c(F)ccc(O)c1[O-] ZINC000295406095 475124726 /nfs/dbraw/zinc/12/47/26/475124726.db2.gz ZZXLJRPLBSRLCQ-HNNXBMFYSA-N -1 1 331.343 2.623 20 10 EFCDMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000529173360 479073964 /nfs/dbraw/zinc/07/39/64/479073964.db2.gz SVRHKYQCWKTNIU-XHSYRHOGSA-N -1 1 342.233 2.830 20 10 EFCDMM CCOC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1 ZINC000529664229 479238815 /nfs/dbraw/zinc/23/88/15/479238815.db2.gz BQDHXGOVJUSEHG-ZDUSSCGKSA-N -1 1 344.249 2.700 20 10 EFCDMM COc1c([O-])c(CN2CC(C)(C)[C@@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000294694437 536861336 /nfs/dbraw/zinc/86/13/36/536861336.db2.gz CMGGJJIGAXETKZ-HNNXBMFYSA-N -1 1 346.387 2.626 20 10 EFCDMM C[C@H](NCc1nccn1C)c1cc(Br)cc(F)c1[O-] ZINC000756539903 575757585 /nfs/dbraw/zinc/75/75/85/575757585.db2.gz VWEYFSIHCHVOQR-QMMMGPOBSA-N -1 1 328.185 2.878 20 10 EFCDMM C[C@@H](NCc1nnnn1C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756731641 575782097 /nfs/dbraw/zinc/78/20/97/575782097.db2.gz HMDFQLKDRBZSAM-SSDOTTSWSA-N -1 1 328.203 2.871 20 10 EFCDMM CC(=O)c1ccc([O-])c(CCOC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000759595780 575906449 /nfs/dbraw/zinc/90/64/49/575906449.db2.gz LZOGQGWLDOHVAV-CLTKARDFSA-N -1 1 342.347 2.805 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCS1 ZINC000764797044 576504943 /nfs/dbraw/zinc/50/49/43/576504943.db2.gz INLPZTHRLRCXSQ-JTQLQIEISA-N -1 1 345.262 2.850 20 10 EFCDMM Cc1ncc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765278893 577026430 /nfs/dbraw/zinc/02/64/30/577026430.db2.gz SINMXDWJYOSUBH-UHFFFAOYSA-N -1 1 337.177 2.575 20 10 EFCDMM C[C@H](OCC1CC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765731698 577071205 /nfs/dbraw/zinc/07/12/05/577071205.db2.gz KJIQDSYCSPZWPO-VIFPVBQESA-N -1 1 328.206 2.586 20 10 EFCDMM O=C(CCc1cccnc1)NCc1cccc(Br)c1[O-] ZINC000765737297 577071554 /nfs/dbraw/zinc/07/15/54/577071554.db2.gz UOFLHYWIQIZOOX-UHFFFAOYSA-N -1 1 335.201 2.799 20 10 EFCDMM Cc1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765735028 577071562 /nfs/dbraw/zinc/07/15/62/577071562.db2.gz CFJBLQMYXGBACV-UHFFFAOYSA-N -1 1 327.203 2.850 20 10 EFCDMM O=CNc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765752053 577072965 /nfs/dbraw/zinc/07/29/65/577072965.db2.gz VTYIDFSRWDLPMH-UHFFFAOYSA-N -1 1 349.184 2.653 20 10 EFCDMM CSCCCNC(=S)NCc1cccc(Br)c1[O-] ZINC000765978888 577091983 /nfs/dbraw/zinc/09/19/83/577091983.db2.gz XFTRSWWVVDSODG-UHFFFAOYSA-N -1 1 349.319 2.872 20 10 EFCDMM COc1ccc(N2CCC(NC(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC000767941154 577244046 /nfs/dbraw/zinc/24/40/46/577244046.db2.gz OTZBUZKKFZOZPH-UHFFFAOYSA-N -1 1 344.386 2.939 20 10 EFCDMM Cc1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c(C)o1 ZINC000771614321 581227153 /nfs/dbraw/zinc/22/71/53/581227153.db2.gz BPAQPVYUKARRDH-UHFFFAOYSA-N -1 1 349.368 2.691 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C3CC3)cc2)c1 ZINC000772853261 581375294 /nfs/dbraw/zinc/37/52/94/581375294.db2.gz QHSUEDXEHSACRX-UHFFFAOYSA-N -1 1 346.408 2.893 20 10 EFCDMM CCCN(Cc1ccccc1O)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774045549 581480200 /nfs/dbraw/zinc/48/02/00/581480200.db2.gz XJZWUBXVJDTGRP-UHFFFAOYSA-N -1 1 342.424 2.776 20 10 EFCDMM CCCN(CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccccc1O ZINC000737011120 599770216 /nfs/dbraw/zinc/77/02/16/599770216.db2.gz SCAHZMRBQNOKRB-UHFFFAOYSA-N -1 1 342.395 2.941 20 10 EFCDMM CC[N@@H+](CCC(=O)[O-])Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000737097396 600425732 /nfs/dbraw/zinc/42/57/32/600425732.db2.gz ZDRPXBUKTWVNED-UHFFFAOYSA-N -1 1 343.379 2.625 20 10 EFCDMM O=C([O-])c1cc2ccccc2c(CN2CCc3cncnc3C2)c1O ZINC000740095550 600540030 /nfs/dbraw/zinc/54/00/30/600540030.db2.gz BGLFISQHMFJDEP-UHFFFAOYSA-N -1 1 335.363 2.592 20 10 EFCDMM COc1ccc([C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C(=O)[O-])cc1 ZINC000832252505 601151575 /nfs/dbraw/zinc/15/15/75/601151575.db2.gz ONGJWPMMUQINQO-INIZCTEOSA-N -1 1 347.342 2.658 20 10 EFCDMM C[C@@H](C[N@@H+](Cc1cccc(Br)c1[O-])C1CC1)C(=O)[O-] ZINC000833516164 605750842 /nfs/dbraw/zinc/75/08/42/605750842.db2.gz GIINLKJFYDJECD-VIFPVBQESA-N -1 1 328.206 2.840 20 10 EFCDMM Cc1nnc(CNCc2cc(Cl)cc(Br)c2[O-])n1C ZINC000708137368 1251270447 /nfs/dbraw/zinc/27/04/47/1251270447.db2.gz BCFASAJETLHKMB-UHFFFAOYSA-N -1 1 345.628 2.535 20 10 EFCDMM Cn1ccc(CNCc2cc(Cl)cc(Br)c2[O-])n1 ZINC000708138294 1259678661 /nfs/dbraw/zinc/67/86/61/1259678661.db2.gz KRIARKYLUJAABZ-UHFFFAOYSA-N -1 1 330.613 2.831 20 10 EFCDMM C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1O ZINC000710551861 1259828279 /nfs/dbraw/zinc/82/82/79/1259828279.db2.gz NBYDUNMNEVCKCX-QMMMGPOBSA-N -1 1 328.185 2.878 20 10 EFCDMM CC(C)(C)OC(=O)NC[C@]1(F)CCN(Cc2c([O-])cccc2F)C1 ZINC001137841567 1260064703 /nfs/dbraw/zinc/06/47/03/1260064703.db2.gz JYHBHBMXKREUEI-QGZVFWFLSA-N -1 1 342.386 2.970 20 10 EFCDMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000825425378 1278547798 /nfs/dbraw/zinc/54/77/98/1278547798.db2.gz RZTHYOPEWOFXEB-JTQLQIEISA-N -1 1 347.342 2.717 20 10 EFCDMM CC(C)CCOC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825481158 1278584069 /nfs/dbraw/zinc/58/40/69/1278584069.db2.gz FNEAWDUUOOKOQI-UHFFFAOYSA-N -1 1 325.380 2.904 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)c1ccccc1 ZINC000792484851 1278806673 /nfs/dbraw/zinc/80/66/73/1278806673.db2.gz VPQBJQDMJILRGH-UHFFFAOYSA-N -1 1 334.169 2.654 20 10 EFCDMM C[C@@H](NCc1ncnn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000786943492 1275599699 /nfs/dbraw/zinc/59/96/99/1275599699.db2.gz ZOZWFWIZRZCNMC-GFCCVEGCSA-N -1 1 339.355 2.732 20 10 EFCDMM O=C(CNc1nccc(C(F)(F)F)c1F)c1ccc([O-])c(O)c1 ZINC001170314629 1279009401 /nfs/dbraw/zinc/00/94/01/1279009401.db2.gz VSEJPDBDZCPFLC-UHFFFAOYSA-N -1 1 330.237 2.946 20 10 EFCDMM Cc1cc(C(F)(F)F)nc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316523 1279010363 /nfs/dbraw/zinc/01/03/63/1279010363.db2.gz GWHVWYPARGYQPF-UHFFFAOYSA-N -1 1 327.262 2.510 20 10 EFCDMM O=C(CNc1nc(CC2CC2)nc2[nH]ccc21)c1ccc([O-])c(O)c1 ZINC001170316640 1279010443 /nfs/dbraw/zinc/01/04/43/1279010443.db2.gz VRPKWBNXJOFXQM-UHFFFAOYSA-N -1 1 338.367 2.616 20 10 EFCDMM CCc1nc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)nc1CC ZINC001170315626 1279010536 /nfs/dbraw/zinc/01/05/36/1279010536.db2.gz CWPJVKNSXQCXES-UHFFFAOYSA-N -1 1 335.791 2.961 20 10 EFCDMM O=C(CNc1cc2c(nn1)-c1ccccc1OC2)c1ccc([O-])c(O)c1 ZINC001170316639 1279010560 /nfs/dbraw/zinc/01/05/60/1279010560.db2.gz VPLQGFHMYBWKLC-UHFFFAOYSA-N -1 1 349.346 2.742 20 10 EFCDMM CC1(C)NC(=O)Nc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC001170321245 1279015210 /nfs/dbraw/zinc/01/52/10/1279015210.db2.gz YIPVFBOTEQGSQM-UHFFFAOYSA-N -1 1 341.367 2.763 20 10 EFCDMM O=C(CNc1ccc2cnccc2c1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC001170323338 1279015369 /nfs/dbraw/zinc/01/53/69/1279015369.db2.gz XPJINGRAQMOZOW-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM C[C@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1ncnn1C ZINC000788980982 1276450284 /nfs/dbraw/zinc/45/02/84/1276450284.db2.gz CIGADSZLOASKCJ-YUMQZZPRSA-N -1 1 343.200 2.834 20 10 EFCDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cn1 ZINC000187058134 1276511294 /nfs/dbraw/zinc/51/12/94/1276511294.db2.gz PTWWDEQIPNAMPT-UHFFFAOYSA-N -1 1 336.413 2.912 20 10 EFCDMM O=C(Nc1ccc(N=Nc2ccccc2)cc1)NN1CC(=O)[N-]C1=O ZINC000789835112 1277024219 /nfs/dbraw/zinc/02/42/19/1277024219.db2.gz VBBIKHJLNWGRED-UHFFFAOYSA-N -1 1 338.327 2.690 20 10 EFCDMM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1c([O-])c(O)ccc1F ZINC000789959702 1277123790 /nfs/dbraw/zinc/12/37/90/1277123790.db2.gz XRVLPRBTFOSTHM-UHFFFAOYSA-N -1 1 332.209 2.609 20 10 EFCDMM O=C(NCc1ccc(Br)cc1)c1c([O-])c(O)ccc1F ZINC000789964659 1277127412 /nfs/dbraw/zinc/12/74/12/1277127412.db2.gz ZJPKIUUABUEORF-UHFFFAOYSA-N -1 1 340.148 2.929 20 10 EFCDMM C[C@]1(c2ccccc2)CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000789988208 1277149875 /nfs/dbraw/zinc/14/98/75/1277149875.db2.gz CFERMRAJTJIYAF-GOSISDBHSA-N -1 1 331.343 2.625 20 10 EFCDMM Cc1nc2sccn2c1CN(C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789990728 1277151500 /nfs/dbraw/zinc/15/15/00/1277151500.db2.gz QFLNZHMHLYFRQY-UHFFFAOYSA-N -1 1 335.360 2.527 20 10 EFCDMM CCO[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(CC)CC ZINC000789992372 1277152664 /nfs/dbraw/zinc/15/26/64/1277152664.db2.gz KPJPIKRVPILRQH-OLZOCXBDSA-N -1 1 325.380 2.951 20 10 EFCDMM CCO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(CC)CC ZINC000789992376 1277152731 /nfs/dbraw/zinc/15/27/31/1277152731.db2.gz KPJPIKRVPILRQH-STQMWFEESA-N -1 1 325.380 2.951 20 10 EFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000789993809 1277154208 /nfs/dbraw/zinc/15/42/08/1277154208.db2.gz GLCYNXYAMXEQFS-IBGZPJMESA-N -1 1 343.354 2.551 20 10 EFCDMM CCC[C@H](C)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000845921186 1279934659 /nfs/dbraw/zinc/93/46/59/1279934659.db2.gz JZWNTFAKJOJMHV-VIFPVBQESA-N -1 1 336.251 2.763 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC000846271014 1280093461 /nfs/dbraw/zinc/09/34/61/1280093461.db2.gz BUTWAELNCJBBQV-QGZVFWFLSA-N -1 1 345.370 2.862 20 10 EFCDMM CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC000846271014 1280093468 /nfs/dbraw/zinc/09/34/68/1280093468.db2.gz BUTWAELNCJBBQV-QGZVFWFLSA-N -1 1 345.370 2.862 20 10 EFCDMM Cc1cc(CN2CCOC[C@H]2CC(=O)[O-])ccc1N1CCCCC1 ZINC000846272294 1280093668 /nfs/dbraw/zinc/09/36/68/1280093668.db2.gz MSUPNPSGUUFHID-QGZVFWFLSA-N -1 1 332.444 2.661 20 10 EFCDMM O=C(NCc1cccnc1N1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000825575671 1287428557 /nfs/dbraw/zinc/42/85/57/1287428557.db2.gz SJBPEYAYJSONMH-UHFFFAOYSA-N -1 1 345.374 2.552 20 10 EFCDMM CC[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1cccc(Cl)c1[O-] ZINC000806159189 1280994992 /nfs/dbraw/zinc/99/49/92/1280994992.db2.gz ZMBXEDMUISMVNL-AWEZNQCLSA-N -1 1 336.823 2.894 20 10 EFCDMM CC[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cccc(Cl)c1[O-] ZINC000806159190 1280995890 /nfs/dbraw/zinc/99/58/90/1280995890.db2.gz ZMBXEDMUISMVNL-CQSZACIVSA-N -1 1 336.823 2.894 20 10 EFCDMM O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)ccc([O-])c1F ZINC000809617497 1282319578 /nfs/dbraw/zinc/31/95/78/1282319578.db2.gz BUIZFMBEFMBVQT-UHFFFAOYSA-N -1 1 334.322 2.759 20 10 EFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCSC1 ZINC000811459362 1284332928 /nfs/dbraw/zinc/33/29/28/1284332928.db2.gz DRJIGZCATXUUCK-SNVBAGLBSA-N -1 1 330.247 2.914 20 10 EFCDMM Cc1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)n(C)n1 ZINC001174824932 1287177130 /nfs/dbraw/zinc/17/71/30/1287177130.db2.gz YFXARFBGRZIAQZ-UHFFFAOYSA-N -1 1 333.347 2.953 20 10 EFCDMM CO[C@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000816495646 1288163549 /nfs/dbraw/zinc/16/35/49/1288163549.db2.gz DPHWXNVVPYHUBB-JQWIXIFHSA-N -1 1 342.233 2.976 20 10 EFCDMM Cn1c(=O)n(C)c2cc(NCc3cc(Cl)c(F)cc3[O-])ccc21 ZINC000816551599 1288190827 /nfs/dbraw/zinc/19/08/27/1288190827.db2.gz IELKGHBZYKJTQJ-UHFFFAOYSA-N -1 1 335.766 2.987 20 10 EFCDMM CC(C)Cc1ccc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001181820438 1289962080 /nfs/dbraw/zinc/96/20/80/1289962080.db2.gz JLLPFSQQSXAFGI-UHFFFAOYSA-N -1 1 341.407 2.838 20 10 EFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCO[C@@H](c2ccccc2)C1 ZINC000825750978 1290369503 /nfs/dbraw/zinc/36/95/03/1290369503.db2.gz GUNSWPNMGGXKHP-OAHLLOKOSA-N -1 1 331.343 2.841 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CC(C)(C)OC2=O)c1[O-] ZINC000795661883 1291004368 /nfs/dbraw/zinc/00/43/68/1291004368.db2.gz VXHMRBZSWXKXQO-CYBMUJFWSA-N -1 1 325.792 2.774 20 10 EFCDMM COc1ccc(N2CCN(Cc3cc(Cl)ncc3[O-])CC2)cc1 ZINC001233033156 1312837785 /nfs/dbraw/zinc/83/77/85/1312837785.db2.gz ISZLZHQIDZXKFZ-UHFFFAOYSA-N -1 1 333.819 2.771 20 10 EFCDMM Cc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000093900297 1291238471 /nfs/dbraw/zinc/23/84/71/1291238471.db2.gz MIXNQQSSADYFNK-UHFFFAOYSA-N -1 1 334.397 2.633 20 10 EFCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775291525 1291818175 /nfs/dbraw/zinc/81/81/75/1291818175.db2.gz LMABLBSYLQECPB-UHFFFAOYSA-N -1 1 349.408 2.905 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1[C@@H](C(F)(F)F)CCC[C@H]1CO ZINC001233332538 1312904622 /nfs/dbraw/zinc/90/46/22/1312904622.db2.gz ONRCTQGOYAYKBQ-QPUJVOFHSA-N -1 1 325.277 2.948 20 10 EFCDMM CC(C)(C)OC(=O)N1CC2(CN(Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001233332145 1312904738 /nfs/dbraw/zinc/90/47/38/1312904738.db2.gz AEUXLXNBQSDRIV-UHFFFAOYSA-N -1 1 340.370 2.723 20 10 EFCDMM O=C1c2ccccc2[C@@H]2CN(Cc3c([O-])ccc(F)c3F)CCN12 ZINC001233332343 1312905005 /nfs/dbraw/zinc/90/50/05/1312905005.db2.gz HXSULPYSYVFDJD-HNNXBMFYSA-N -1 1 330.334 2.683 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1[C@@H](CO)CCC[C@@H]1C(F)(F)F ZINC001233332537 1312905080 /nfs/dbraw/zinc/90/50/80/1312905080.db2.gz ONRCTQGOYAYKBQ-PRHODGIISA-N -1 1 325.277 2.948 20 10 EFCDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2Cc1c([O-])ccc(F)c1F ZINC001233332731 1312905137 /nfs/dbraw/zinc/90/51/37/1312905137.db2.gz VYFANDTUJTYMMW-QWRGUYRKSA-N -1 1 340.370 2.864 20 10 EFCDMM [O-]c1ccc(F)c(F)c1CN1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001233332428 1312905257 /nfs/dbraw/zinc/90/52/57/1312905257.db2.gz KUSIPGOBZKFTNO-PWSUYJOCSA-N -1 1 329.240 2.508 20 10 EFCDMM O=C(c1cccs1)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335094 1312906324 /nfs/dbraw/zinc/90/63/24/1312906324.db2.gz HBZWEPMZTUXINX-UHFFFAOYSA-N -1 1 338.379 2.690 20 10 EFCDMM CCOC(=O)[C@]12C[C@H]1CCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416627 1312927820 /nfs/dbraw/zinc/92/78/20/1312927820.db2.gz PDTYIXWWBKKDFD-ABAIWWIYSA-N -1 1 329.318 2.939 20 10 EFCDMM O=C(CNC(=O)c1cccc(OC2CCC2)c1)c1ccc([O-])c(O)c1 ZINC001193200765 1293197240 /nfs/dbraw/zinc/19/72/40/1293197240.db2.gz QDZONAMOBBGAAM-UHFFFAOYSA-N -1 1 341.363 2.642 20 10 EFCDMM Cc1[nH]nc(NC(=O)c2ccc(O)c([O-])c2Cl)c1Br ZINC001193209676 1293198281 /nfs/dbraw/zinc/19/82/81/1293198281.db2.gz NGMLKOCVIICPIQ-UHFFFAOYSA-N -1 1 346.568 2.798 20 10 EFCDMM CCCCOC(=O)[C@@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193232428 1293206134 /nfs/dbraw/zinc/20/61/34/1293206134.db2.gz JBDFGFQIZZGMNY-SNVBAGLBSA-N -1 1 341.791 2.557 20 10 EFCDMM O=C(NC[C@@H](O)c1cc2ccccc2o1)c1ccc(O)c([O-])c1Cl ZINC001193247423 1293213656 /nfs/dbraw/zinc/21/36/56/1293213656.db2.gz YMFULXUGBNEJFF-GFCCVEGCSA-N -1 1 347.754 2.961 20 10 EFCDMM O=C(NCc1ccc2oc(=O)[nH]c2c1)c1ccc(O)c([O-])c1Cl ZINC001193255139 1293216218 /nfs/dbraw/zinc/21/62/18/1293216218.db2.gz PDHUPOIBAKZZNZ-UHFFFAOYSA-N -1 1 334.715 2.528 20 10 EFCDMM Cc1cc(N)cc2sc(=N)n(C(=O)c3ccc(O)c([O-])c3Cl)c21 ZINC001193230023 1293225187 /nfs/dbraw/zinc/22/51/87/1293225187.db2.gz OTQDGLPDVHUANA-UHFFFAOYSA-N -1 1 349.799 2.826 20 10 EFCDMM CN1Cc2cccc(NC(=O)c3ccc(O)c([O-])c3Cl)c2C1=O ZINC001193229722 1293225581 /nfs/dbraw/zinc/22/55/81/1293225581.db2.gz KOIIWYILOKOMFQ-UHFFFAOYSA-N -1 1 332.743 2.589 20 10 EFCDMM O=C(Nc1cccc2c1NC(=O)NC2)c1ccc(O)c([O-])c1Cl ZINC001193229506 1293226149 /nfs/dbraw/zinc/22/61/49/1293226149.db2.gz KBEBDYVJRPAAAL-UHFFFAOYSA-N -1 1 333.731 2.639 20 10 EFCDMM [O-]c1c(F)cc(F)cc1CNc1cccnc1N1CCC(O)CC1 ZINC000883075563 1293452042 /nfs/dbraw/zinc/45/20/42/1293452042.db2.gz FZGXNHLOJHIFDF-UHFFFAOYSA-N -1 1 335.354 2.639 20 10 EFCDMM O=C(Cc1ccsc1)N1CCC12CN(Cc1c([O-])cccc1F)C2 ZINC001276353963 1294569496 /nfs/dbraw/zinc/56/94/96/1294569496.db2.gz AQEIJCQWQWDUPM-UHFFFAOYSA-N -1 1 346.427 2.622 20 10 EFCDMM CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1c([O-])cccc1F)C2 ZINC001276354192 1294571420 /nfs/dbraw/zinc/57/14/20/1294571420.db2.gz LSVYXEGRCPFUHW-HNNXBMFYSA-N -1 1 342.414 2.840 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001234474036 1313136072 /nfs/dbraw/zinc/13/60/72/1313136072.db2.gz NDXJMVVUORLUIC-LLVKDONJSA-N -1 1 337.372 2.689 20 10 EFCDMM COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474234 1313136513 /nfs/dbraw/zinc/13/65/13/1313136513.db2.gz PNJMXMWCPXVBQN-QGZVFWFLSA-N -1 1 348.326 2.603 20 10 EFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 ZINC001234478072 1313136529 /nfs/dbraw/zinc/13/65/29/1313136529.db2.gz XGPYJWAMGMWPSX-LBPRGKRZSA-N -1 1 349.383 2.855 20 10 EFCDMM COC(=O)[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)c1cccc(F)c1 ZINC001234476480 1313136588 /nfs/dbraw/zinc/13/65/88/1313136588.db2.gz MPQLLLZPBKBBHI-INIZCTEOSA-N -1 1 334.299 2.733 20 10 EFCDMM Cc1cc(NC(=S)NCC(=O)c2ccc([O-])c(O)c2)ccc1F ZINC001201044353 1296560001 /nfs/dbraw/zinc/56/00/01/1296560001.db2.gz BIHRXBNDBFEWAU-UHFFFAOYSA-N -1 1 334.372 2.715 20 10 EFCDMM CSc1ccc(NC(=S)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001201189539 1296617271 /nfs/dbraw/zinc/61/72/71/1296617271.db2.gz OITGXJLIBBLIRV-UHFFFAOYSA-N -1 1 348.449 2.989 20 10 EFCDMM Cc1ccnc2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc12 ZINC000803868190 1313281620 /nfs/dbraw/zinc/28/16/20/1313281620.db2.gz UFDFZDFEURVCRX-UHFFFAOYSA-N -1 1 337.331 2.994 20 10 EFCDMM Oc1c(Br)cc(F)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001235303713 1313286406 /nfs/dbraw/zinc/28/64/06/1313286406.db2.gz QGPJILMFXPKAIN-UHFFFAOYSA-N -1 1 343.240 2.964 20 10 EFCDMM COC(=O)C[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235306709 1313286981 /nfs/dbraw/zinc/28/69/81/1313286981.db2.gz HVWGADZICFYXBU-SECBINFHSA-N -1 1 346.196 2.679 20 10 EFCDMM Nc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001201285136 1296679272 /nfs/dbraw/zinc/67/92/72/1296679272.db2.gz BBEQFQSBAQSKBM-UHFFFAOYSA-N -1 1 331.331 2.888 20 10 EFCDMM CN[C@H]1CCN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001236165859 1313450014 /nfs/dbraw/zinc/45/00/14/1313450014.db2.gz AMJBQJZEFSFLKM-SNVBAGLBSA-N -1 1 339.155 2.925 20 10 EFCDMM Cc1cc(Br)c([O-])c(CN2C[C@H](F)C[C@H](CO)C2)c1 ZINC001236664763 1313506079 /nfs/dbraw/zinc/50/60/79/1313506079.db2.gz WUVGFIMHPMNSBA-CMPLNLGQSA-N -1 1 332.213 2.615 20 10 EFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(c2ccncn2)CC1 ZINC001236795222 1313530075 /nfs/dbraw/zinc/53/00/75/1313530075.db2.gz AXUSINAEBYSHRW-UHFFFAOYSA-N -1 1 339.226 2.811 20 10 EFCDMM COc1cc([O-])c(CN2CCN(C3CCCC3)C(=O)C2)c(Cl)c1 ZINC001236800683 1313531322 /nfs/dbraw/zinc/53/13/22/1313531322.db2.gz WYVPLMCXIIBKFG-UHFFFAOYSA-N -1 1 338.835 2.641 20 10 EFCDMM CS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236800526 1313531451 /nfs/dbraw/zinc/53/14/51/1313531451.db2.gz VQSOSIKJQKSHOR-JTQLQIEISA-N -1 1 338.256 2.708 20 10 EFCDMM CC1(C)CN(C2CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)CCO1 ZINC001236800497 1313531465 /nfs/dbraw/zinc/53/14/65/1313531465.db2.gz UZKKEIKNGWBWHS-UHFFFAOYSA-N -1 1 345.270 2.994 20 10 EFCDMM O=C1NC[C@@]2(CCCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)O1 ZINC001236800173 1313531640 /nfs/dbraw/zinc/53/16/40/1313531640.db2.gz UOBRBGGPYWTSBS-CQSZACIVSA-N -1 1 331.199 2.773 20 10 EFCDMM C[C@@H]1CN(C2CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C[C@H](C)O1 ZINC001236805236 1313532243 /nfs/dbraw/zinc/53/22/43/1313532243.db2.gz YAHSXAJXHPEXNX-PHIMTYICSA-N -1 1 345.270 2.992 20 10 EFCDMM COc1ccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)c([O-])c1Cl ZINC001236806604 1313532901 /nfs/dbraw/zinc/53/29/01/1313532901.db2.gz DPMHEBCZHXYWOV-CYBMUJFWSA-N -1 1 338.835 2.545 20 10 EFCDMM CC(=O)c1cc(Cl)cc(CN(C)C[C@H](O)C(F)(F)F)c1[O-] ZINC000305761034 1298779914 /nfs/dbraw/zinc/77/99/14/1298779914.db2.gz DTYBFSHJOBSQSU-NSHDSACASA-N -1 1 325.714 2.603 20 10 EFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001237078869 1313582957 /nfs/dbraw/zinc/58/29/57/1313582957.db2.gz ZAEIETXKBSNEKF-DUFXMDAXSA-N -1 1 332.227 2.671 20 10 EFCDMM CS(=O)(=O)C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237082742 1313583834 /nfs/dbraw/zinc/58/38/34/1313583834.db2.gz UQRKHSSUPDRJCI-UHFFFAOYSA-N -1 1 338.256 2.708 20 10 EFCDMM COC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2ncn(C)c21 ZINC001237120459 1313590242 /nfs/dbraw/zinc/59/02/42/1313590242.db2.gz DPNIMABIBAWZDX-JTQLQIEISA-N -1 1 339.798 2.664 20 10 EFCDMM Oc1c(I)cccc1C[N@H+]1CCC2(CC2)C1 ZINC001237775096 1313704235 /nfs/dbraw/zinc/70/42/35/1313704235.db2.gz CVHAPILYIKYJGK-UHFFFAOYSA-N -1 1 329.181 2.983 20 10 EFCDMM Cc1ncsc1CN1CCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001276537735 1313704337 /nfs/dbraw/zinc/70/43/37/1313704337.db2.gz MUECNYDCIVUEPO-UHFFFAOYSA-N -1 1 333.432 2.757 20 10 EFCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000776750473 1300617704 /nfs/dbraw/zinc/61/77/04/1300617704.db2.gz FXJWDKFVWHCSDU-UHFFFAOYSA-N -1 1 341.772 2.633 20 10 EFCDMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(O)cc2F)no1 ZINC000795347663 1300824093 /nfs/dbraw/zinc/82/40/93/1300824093.db2.gz ITEJDFNDFAHFGS-UHFFFAOYSA-N -1 1 328.365 2.759 20 10 EFCDMM COC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2ncn(C)c21 ZINC001237938865 1313733862 /nfs/dbraw/zinc/73/38/62/1313733862.db2.gz QDWJIOMPFWUKPL-LLVKDONJSA-N -1 1 339.798 2.664 20 10 EFCDMM Cc1cnc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)nc1 ZINC001237941417 1313734560 /nfs/dbraw/zinc/73/45/60/1313734560.db2.gz VNVUZXHIPPIINF-UHFFFAOYSA-N -1 1 336.798 2.605 20 10 EFCDMM CCCCCN1CC(=O)N[C@H]1c1c([O-])cccc1Br ZINC000864387811 1302917374 /nfs/dbraw/zinc/91/73/74/1302917374.db2.gz VOBKHOZLXILDBK-CQSZACIVSA-N -1 1 327.222 2.775 20 10 EFCDMM O=C([O-])CC1(C[NH2+]Cc2c([O-])cccc2Br)CCC1 ZINC000864504883 1302952917 /nfs/dbraw/zinc/95/29/17/1302952917.db2.gz RRZVMYHPDXNYSU-UHFFFAOYSA-N -1 1 328.206 2.889 20 10 EFCDMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209726792 1314222934 /nfs/dbraw/zinc/22/29/34/1314222934.db2.gz BUWUTVCJCFHVQQ-UHFFFAOYSA-N -1 1 334.397 2.734 20 10 EFCDMM O=C(CNc1nncc2cc(Cl)ccc21)c1ccc([O-])c(O)c1 ZINC001159279778 1311484394 /nfs/dbraw/zinc/48/43/94/1311484394.db2.gz YIPVAIYXDWVBFS-UHFFFAOYSA-N -1 1 329.743 2.989 20 10 EFCDMM O=C(CNc1nc(Cl)nc2c1CCCC2)c1ccc([O-])c(O)c1 ZINC001159276580 1311484505 /nfs/dbraw/zinc/48/45/05/1311484505.db2.gz LEBUWDZSBHWENC-UHFFFAOYSA-N -1 1 333.775 2.715 20 10 EFCDMM CSc1ncc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159277714 1311484548 /nfs/dbraw/zinc/48/45/48/1311484548.db2.gz WKUFRNIITSYJFZ-UHFFFAOYSA-N -1 1 325.777 2.558 20 10 EFCDMM O=C(CNc1nc2ccccc2cc1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC001159278807 1311484922 /nfs/dbraw/zinc/48/49/22/1311484922.db2.gz BVWFVVMPBFXBIB-UHFFFAOYSA-N -1 1 339.307 2.849 20 10 EFCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(-c2cccs2)n1 ZINC001159280229 1311485164 /nfs/dbraw/zinc/48/51/64/1311485164.db2.gz HDZUBZKQRFPYSF-UHFFFAOYSA-N -1 1 341.392 2.641 20 10 EFCDMM CSc1cnc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279789 1311485590 /nfs/dbraw/zinc/48/55/90/1311485590.db2.gz YYYUBPHUYHTGAU-UHFFFAOYSA-N -1 1 325.777 2.558 20 10 EFCDMM COc1cc(C)c2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001159280270 1311485608 /nfs/dbraw/zinc/48/56/08/1311485608.db2.gz JALXKOMEQYNOHP-UHFFFAOYSA-N -1 1 339.351 2.653 20 10 EFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1CCOC[C@H]1F ZINC001227576685 1311824021 /nfs/dbraw/zinc/82/40/21/1311824021.db2.gz DEIVHMYERAGECP-UKRRQHHQSA-N -1 1 342.322 2.673 20 10 EFCDMM CCOC[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227579964 1311824772 /nfs/dbraw/zinc/82/47/72/1311824772.db2.gz CMJOWXGWMOEDQY-LLVKDONJSA-N -1 1 326.348 2.971 20 10 EFCDMM CCN1CC[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227579925 1311824972 /nfs/dbraw/zinc/82/49/72/1311824972.db2.gz BFVRXOXNMBNLEB-GFCCVEGCSA-N -1 1 337.375 2.641 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1CCOC[C@H]1F ZINC001228111565 1311900774 /nfs/dbraw/zinc/90/07/74/1311900774.db2.gz VSCPQMLGRIXMSV-HIFRSBDPSA-N -1 1 348.326 2.540 20 10 EFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1CCOC[C@@H]1F ZINC001228111563 1311900916 /nfs/dbraw/zinc/90/09/16/1311900916.db2.gz VSCPQMLGRIXMSV-DZGCQCFKSA-N -1 1 348.326 2.540 20 10 EFCDMM O=C([O-])C[C@H](O)C(=O)Oc1ccccc1N=Nc1ccccc1O ZINC001228418034 1311944889 /nfs/dbraw/zinc/94/48/89/1311944889.db2.gz DFQQHGPIJAEBNF-BZSIDJSBSA-N -1 1 330.296 2.549 20 10 EFCDMM CO[C@@H](C)CCOc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197006 1312060250 /nfs/dbraw/zinc/06/02/50/1312060250.db2.gz LKXYNEDDPNIFNO-JTQLQIEISA-N -1 1 342.347 2.677 20 10 EFCDMM CC(C)[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787289 1312139422 /nfs/dbraw/zinc/13/94/22/1312139422.db2.gz ULCCEEFDUCTNKH-VIFPVBQESA-N -1 1 348.351 2.869 20 10 EFCDMM Cc1noc(NC(=O)[C@@]23C[C@@H]2CCN3Cc2c([O-])cccc2F)c1C ZINC001277485103 1312427076 /nfs/dbraw/zinc/42/70/76/1312427076.db2.gz XYWQUWSAUWUUCU-KPZWWZAWSA-N -1 1 345.374 2.739 20 10 EFCDMM O=C([O-])c1ccc(CN2CC3(CCN3Cc3ccccc3)C2)c(O)c1 ZINC001231452253 1312500625 /nfs/dbraw/zinc/50/06/25/1312500625.db2.gz ISDXLRVUDZBJQM-UHFFFAOYSA-N -1 1 338.407 2.551 20 10 EFCDMM O=C([O-])c1ccc(O)c(CN2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC001231561866 1312525931 /nfs/dbraw/zinc/52/59/31/1312525931.db2.gz WVEOGANRTDTUGH-UHFFFAOYSA-N -1 1 344.386 2.547 20 10 EFCDMM C[C@]1(c2ccc(F)cc2)CN(Cc2cc(C(=O)[O-])ccc2O)CCO1 ZINC001231565307 1312526208 /nfs/dbraw/zinc/52/62/08/1312526208.db2.gz DRQUPYSEZZRQKT-LJQANCHMSA-N -1 1 345.370 2.977 20 10 EFCDMM COCc1cnc2n1CCN(Cc1cc(Cl)c([O-])cc1O)[C@@H]2C ZINC001232260563 1312659980 /nfs/dbraw/zinc/65/99/80/1312659980.db2.gz YYUPFKRIGKPQNE-SNVBAGLBSA-N -1 1 337.807 2.671 20 10 EFCDMM C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])n1[nH]c(C2CCCC2)cc1=O ZINC001245928709 1314550808 /nfs/dbraw/zinc/55/08/08/1314550808.db2.gz QQVVEZCKVHMZKM-SFHVURJKSA-N -1 1 346.383 2.700 20 10 EFCDMM O=C(CNC(=S)Nc1c(F)cccc1F)c1ccc([O-])c(O)c1 ZINC001247103031 1314741778 /nfs/dbraw/zinc/74/17/78/1314741778.db2.gz LAPVGZFTOGQMLP-UHFFFAOYSA-N -1 1 338.335 2.545 20 10 EFCDMM CCS(=O)(=O)[N-]c1cccc2c1C(=O)c1cccc(Cl)c1C2=O ZINC001253354995 1315594407 /nfs/dbraw/zinc/59/44/07/1315594407.db2.gz DXTPDFQIFOABGN-UHFFFAOYSA-N -1 1 349.795 2.877 20 10 EFCDMM C[C@@H]1SCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000827650953 1316009754 /nfs/dbraw/zinc/00/97/54/1316009754.db2.gz VUGKYUIKBXTXSO-GZMMTYOYSA-N -1 1 345.262 2.848 20 10 EFCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)cc1OC ZINC001257103387 1316034214 /nfs/dbraw/zinc/03/42/14/1316034214.db2.gz HBDNSQRBLCLLSU-UHFFFAOYSA-N -1 1 336.413 2.571 20 10 EFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc(C)c2)ccc1O ZINC001259521973 1316256180 /nfs/dbraw/zinc/25/61/80/1316256180.db2.gz BKTFNTLKVFTVHZ-UHFFFAOYSA-N -1 1 335.381 2.596 20 10 EFCDMM O=S(=O)(CCc1ccccc1F)Nc1ccc([O-])c(F)c1F ZINC001259786044 1316278260 /nfs/dbraw/zinc/27/82/60/1316278260.db2.gz WYFVXBIWEVJXID-UHFFFAOYSA-N -1 1 331.315 2.794 20 10 EFCDMM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1cc(Cl)c(F)cc1F ZINC001260205128 1316323551 /nfs/dbraw/zinc/32/35/51/1316323551.db2.gz XRFGIUKEUHIJJM-UHFFFAOYSA-N -1 1 349.742 2.508 20 10 EFCDMM O=S(=O)([N-]Cc1ccccc1O)c1cc(Cl)c(F)cc1F ZINC001260205872 1316323571 /nfs/dbraw/zinc/32/35/71/1316323571.db2.gz SVGMKYMYUGXLQL-UHFFFAOYSA-N -1 1 333.743 2.802 20 10 EFCDMM O=S(=O)([N-]Cc1ccc(O)cc1O)c1cc(Cl)c(F)cc1F ZINC001260204863 1316323581 /nfs/dbraw/zinc/32/35/81/1316323581.db2.gz NRVBZRQCVXELCZ-UHFFFAOYSA-N -1 1 349.742 2.508 20 10 EFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1c(F)cc(F)cc1F ZINC001260354058 1316334007 /nfs/dbraw/zinc/33/40/07/1316334007.db2.gz UVHPRLMWALZYTF-UHFFFAOYSA-N -1 1 339.241 2.889 20 10 EFCDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1O ZINC001260356266 1316334763 /nfs/dbraw/zinc/33/47/63/1316334763.db2.gz PRELIACKGUMFRJ-QMMMGPOBSA-N -1 1 331.315 2.849 20 10 EFCDMM O=S(=O)([N-]c1ccc(F)c(Cl)c1F)c1cccc2nonc21 ZINC001260441026 1316338399 /nfs/dbraw/zinc/33/83/99/1316338399.db2.gz IDRSTXNIKSKHLU-UHFFFAOYSA-N -1 1 345.714 2.955 20 10 EFCDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1C ZINC001260998099 1316382786 /nfs/dbraw/zinc/38/27/86/1316382786.db2.gz LERKFMDAEQZIRZ-UHFFFAOYSA-N -1 1 346.452 2.941 20 10 EFCDMM COC(=O)c1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000734160062 1321829698 /nfs/dbraw/zinc/82/96/98/1321829698.db2.gz LSSJVUZIJVQUDM-UHFFFAOYSA-N -1 1 340.719 2.623 20 10 EFCDMM O=C(CNC(=S)Nc1ccc(F)c(F)c1)c1ccc([O-])c(O)c1 ZINC001200703615 1334375141 /nfs/dbraw/zinc/37/51/41/1334375141.db2.gz DTGHTXHPVVTADP-UHFFFAOYSA-N -1 1 338.335 2.545 20 10 EFCDMM Clc1ccc(C2=CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cn1 ZINC000826351588 1428739611 /nfs/dbraw/zinc/73/96/11/1428739611.db2.gz RZSGIFUKSORHGR-UHFFFAOYSA-N -1 1 339.790 2.604 20 10 EFCDMM Cc1ccnc(NCc2ccc3c(c2)CCCN3C)c1-c1nnn[n-]1 ZINC000826314362 1428790625 /nfs/dbraw/zinc/79/06/25/1428790625.db2.gz SSSLXTYMJMHTMX-UHFFFAOYSA-N -1 1 335.415 2.565 20 10 EFCDMM COc1ccc(N(C)Cc2cc(F)ccc2-c2nnn[n-]2)cc1OC ZINC000821828276 1429221285 /nfs/dbraw/zinc/22/12/85/1429221285.db2.gz RNUPVQSGXUCAMH-UHFFFAOYSA-N -1 1 343.362 2.659 20 10 EFCDMM Fc1cccc(NCc2ccc(N3CC=CC3)cc2)c1-c1nnn[n-]1 ZINC000737666534 1424938961 /nfs/dbraw/zinc/93/89/61/1424938961.db2.gz YXUSLYQOSNAZBN-UHFFFAOYSA-N -1 1 336.374 2.994 20 10 EFCDMM Cc1cc(C)c(O)c(CN(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826263647 1425777806 /nfs/dbraw/zinc/77/78/06/1425777806.db2.gz LIIAVQPDNVKANP-UHFFFAOYSA-N -1 1 327.363 2.965 20 10 EFCDMM O=[N+]([O-])c1ccc([O-])c(CNCc2ccc(Br)o2)c1 ZINC000178902059 1426292263 /nfs/dbraw/zinc/29/22/63/1426292263.db2.gz IDTDEVZQGICTNZ-UHFFFAOYSA-N -1 1 327.134 2.946 20 10 EFCDMM [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823733571 1446103100 /nfs/dbraw/zinc/10/31/00/1446103100.db2.gz ZIMAGDMZEZCTIQ-UHFFFAOYSA-N -1 1 333.754 2.655 20 10 EFCDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C)c1O ZINC000825632462 1449466012 /nfs/dbraw/zinc/46/60/12/1449466012.db2.gz STYSBVAPXXHANN-UHFFFAOYSA-N -1 1 325.372 2.892 20 10 EFCDMM CN(C)c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000821589504 1449987759 /nfs/dbraw/zinc/98/77/59/1449987759.db2.gz QOCYUKZPUOZEMA-UHFFFAOYSA-N -1 1 330.342 2.823 20 10 EFCDMM COc1cc(CN(C)c2ccccc2-c2nnn[n-]2)c(O)cc1C ZINC000826179419 1450243136 /nfs/dbraw/zinc/24/31/36/1450243136.db2.gz NPOMCVVGNLXSOH-UHFFFAOYSA-N -1 1 325.372 2.526 20 10 EFCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCOC1 ZINC000730260774 725563140 /nfs/dbraw/zinc/56/31/40/725563140.db2.gz UQNHJJVFIQKFAW-CQSZACIVSA-N -1 1 327.380 2.550 20 10 EFCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCOC1 ZINC000730260774 725563143 /nfs/dbraw/zinc/56/31/43/725563143.db2.gz UQNHJJVFIQKFAW-CQSZACIVSA-N -1 1 327.380 2.550 20 10 EFCDMM O=C1[N-]C(=O)C(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)S1 ZINC000915840185 727199532 /nfs/dbraw/zinc/19/95/32/727199532.db2.gz SQQRPHJMMSXKBE-UKTHLTGXSA-N -1 1 333.369 2.909 20 10 EFCDMM CC[C@@H]1CN(CC)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375735 727435707 /nfs/dbraw/zinc/43/57/07/727435707.db2.gz ROKQFLNYLQAAMB-IZPAUZPXSA-N -1 1 333.388 2.613 20 10 EFCDMM O=C(COC(=O)c1ccc(OC(F)F)cc1)c1ccc([O-])c(O)c1 ZINC000916591323 727699135 /nfs/dbraw/zinc/69/91/35/727699135.db2.gz HMXKDTMZXFEXTN-UHFFFAOYSA-N -1 1 338.262 2.739 20 10 EFCDMM Cc1cccc(O[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916591371 727699137 /nfs/dbraw/zinc/69/91/37/727699137.db2.gz XZHIJZVXRCOLKN-GFCCVEGCSA-N -1 1 330.336 2.600 20 10 EFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000055159170 727907512 /nfs/dbraw/zinc/90/75/12/727907512.db2.gz XEDGNLRTAIWMIN-UHFFFAOYSA-N -1 1 346.408 2.505 20 10 EFCDMM CC(C)CN1C(=O)C(=CNc2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000920974863 729250137 /nfs/dbraw/zinc/25/01/37/729250137.db2.gz WDKGNRRLHMNVMP-KPKJPENVSA-N -1 1 337.832 2.535 20 10 EFCDMM