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GGTFCXYAZQHQGV-SNVBAGLBSA-N -2 0 331.346 0.518 20 0 ECADRL O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000277274161 437206535 /nfs/dbraw/zinc/20/65/35/437206535.db2.gz OUNFRBCSYHOYQP-SSDOTTSWSA-N -2 0 331.243 0.568 20 0 ECADRL CS(=O)(=O)c1cc([N-]S(=O)(=O)c2c[nH]cn2)cc(C(=O)[O-])c1 ZINC000356471765 437768925 /nfs/dbraw/zinc/76/89/25/437768925.db2.gz AZKYOLHKKPAVHS-UHFFFAOYSA-N -2 0 345.358 0.312 20 0 ECADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)cc1C(=O)[O-] ZINC000347270510 437863467 /nfs/dbraw/zinc/86/34/67/437863467.db2.gz UXASWEDDDCEWSM-UHFFFAOYSA-N -2 0 335.341 0.988 20 0 ECADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000358554069 438253526 /nfs/dbraw/zinc/25/35/26/438253526.db2.gz HXXOOHBGBYUZFJ-UHFFFAOYSA-N -2 0 334.354 0.721 20 0 ECADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000358558297 438253857 /nfs/dbraw/zinc/25/38/57/438253857.db2.gz XPEUWVGAQUYCMX-UHFFFAOYSA-N -2 0 348.381 0.732 20 0 ECADRL O=C([O-])[C@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC000387631829 438423414 /nfs/dbraw/zinc/42/34/14/438423414.db2.gz YQWQSLBKZOJBRC-JGVFFNPUSA-N -2 0 347.311 0.766 20 0 ECADRL C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455949166 438755003 /nfs/dbraw/zinc/75/50/03/438755003.db2.gz PZLHPTUSUIHCBW-PWSUYJOCSA-N -2 0 345.355 0.548 20 0 ECADRL CCOc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(C)c1 ZINC000515735279 438878937 /nfs/dbraw/zinc/87/89/37/438878937.db2.gz LMLIKBAZTJNDSZ-NSHDSACASA-N -2 0 345.373 0.990 20 0 ECADRL Cc1onc(N)c1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000519409025 439032734 /nfs/dbraw/zinc/03/27/34/439032734.db2.gz QQNMFOJMQSVFIW-ZCFIWIBFSA-N -2 0 345.299 0.887 20 0 ECADRL O=C([O-])C[C@H](NS(=O)(=O)CCc1ccccc1Cl)C(=O)[O-] ZINC000656509368 440809003 /nfs/dbraw/zinc/80/90/03/440809003.db2.gz RJEDHAMAEKVZSO-JTQLQIEISA-N -2 0 335.765 0.730 20 0 ECADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CCOC1 ZINC000548205382 322150780 /nfs/dbraw/zinc/15/07/80/322150780.db2.gz WEOHNJKBZDQIMB-LDWIPMOCSA-N -2 0 339.291 0.872 20 0 ECADRL CC(C)(C)c1cc(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])no1 ZINC000577876143 322849143 /nfs/dbraw/zinc/84/91/43/322849143.db2.gz NKSXIFVRVXYQJM-QMMMGPOBSA-N -2 0 334.350 0.319 20 0 ECADRL CCc1nc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc2o1 ZINC000274953819 545959209 /nfs/dbraw/zinc/95/92/09/545959209.db2.gz IGLKXVWDLJYRFX-UHFFFAOYSA-N -2 0 342.329 0.550 20 0 ECADRL COc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000321833998 545997483 /nfs/dbraw/zinc/99/74/83/545997483.db2.gz GGQHBMXMGAZKHL-VXGBXAGGSA-N -2 0 343.357 0.491 20 0 ECADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1 ZINC000619956453 546390564 /nfs/dbraw/zinc/39/05/64/546390564.db2.gz WSDUMJVLVURNDZ-UHFFFAOYSA-N -2 0 341.345 0.140 20 0 ECADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC000675093669 548708599 /nfs/dbraw/zinc/70/85/99/548708599.db2.gz WWUSHEAGRGFRKE-UHFFFAOYSA-N -2 0 325.346 0.683 20 0 ECADRL CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000681563764 549273487 /nfs/dbraw/zinc/27/34/87/549273487.db2.gz XFYICLFEXFEZOQ-SECBINFHSA-N -2 0 347.393 0.141 20 0 ECADRL C[C@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736630902 578442949 /nfs/dbraw/zinc/44/29/49/578442949.db2.gz FFUDUIOWBOIGMR-JTQLQIEISA-N -2 0 348.421 0.382 20 0 ECADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000737350302 578492029 /nfs/dbraw/zinc/49/20/29/578492029.db2.gz YQCWBDUSCUBSBC-UHFFFAOYSA-N -2 0 342.333 0.063 20 0 ECADRL NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000795353153 578608431 /nfs/dbraw/zinc/60/84/31/578608431.db2.gz MSJBCBAQCIGXMG-UHFFFAOYSA-N -2 0 346.271 0.286 20 0 ECADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2Cl)C1 ZINC000776717771 579288396 /nfs/dbraw/zinc/28/83/96/579288396.db2.gz KNEZHDGUWCBPIK-LBPRGKRZSA-N -2 0 348.764 0.675 20 0 ECADRL COc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])cc1OC ZINC000738062151 579601043 /nfs/dbraw/zinc/60/10/43/579601043.db2.gz OFULGQCNDSQVEJ-UHFFFAOYSA-N -2 0 332.334 0.166 20 0 ECADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cnccc2-n2cccn2)c1C(=O)[O-] ZINC000738335436 579621561 /nfs/dbraw/zinc/62/15/61/579621561.db2.gz PYECQTAUESYXLJ-UHFFFAOYSA-N -2 0 348.344 0.798 20 0 ECADRL Cc1nc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)sc1C(=O)[O-] ZINC000738360744 579624060 /nfs/dbraw/zinc/62/40/60/579624060.db2.gz LNEVYHFCWDJAAR-UHFFFAOYSA-N -2 0 334.317 0.173 20 0 ECADRL CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000738836331 579651725 /nfs/dbraw/zinc/65/17/25/579651725.db2.gz IQTGCMNBMIDORN-LBPRGKRZSA-N -2 0 343.405 0.567 20 0 ECADRL Cc1nn(C)c2ncc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc12 ZINC000738917720 579656163 /nfs/dbraw/zinc/65/61/63/579656163.db2.gz DKQKEVOTIODWMK-UHFFFAOYSA-N -2 0 340.361 0.201 20 0 ECADRL Cc1nn(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)c1Cl ZINC000738921924 579656441 /nfs/dbraw/zinc/65/64/41/579656441.db2.gz UBIQJEYZIXNKQE-UHFFFAOYSA-N -2 0 337.785 0.464 20 0 ECADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ncon2)cc1 ZINC000739693594 579704239 /nfs/dbraw/zinc/70/42/39/579704239.db2.gz ZVQIEXHIHPBPFC-UHFFFAOYSA-N -2 0 339.329 0.661 20 0 ECADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1 ZINC000739693135 579704248 /nfs/dbraw/zinc/70/42/48/579704248.db2.gz VZKKQUVVODVFIG-UHFFFAOYSA-N -2 0 348.402 0.179 20 0 ECADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])c1 ZINC000739931715 579722882 /nfs/dbraw/zinc/72/28/82/579722882.db2.gz UXAGUWZBLNJFRN-UHFFFAOYSA-N -2 0 349.386 0.327 20 0 ECADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739995899 579726414 /nfs/dbraw/zinc/72/64/14/579726414.db2.gz MPVJEFUMUUXZPP-SECBINFHSA-N -2 0 327.362 0.540 20 0 ECADRL O=C([O-])Nc1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccc1F ZINC000740005739 579726968 /nfs/dbraw/zinc/72/69/68/579726968.db2.gz PQBAFWUDUBZPBS-UHFFFAOYSA-N -2 0 346.278 0.939 20 0 ECADRL CS(=O)(=O)c1nc(NC(=O)c2ccc(NC(=O)[O-])cc2O)n[n-]1 ZINC000740003759 579727007 /nfs/dbraw/zinc/72/70/07/579727007.db2.gz AIOUTGSXVDMJGT-UHFFFAOYSA-N -2 0 341.305 0.256 20 0 ECADRL C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000740027928 579727731 /nfs/dbraw/zinc/72/77/31/579727731.db2.gz DQWQUWHRSYCZDE-VIFPVBQESA-N -2 0 327.362 0.062 20 0 ECADRL O=C([O-])c1ccc(CCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000740121806 579730146 /nfs/dbraw/zinc/73/01/46/579730146.db2.gz NJBQOPALTZEYKR-GFCCVEGCSA-N -2 0 331.332 0.431 20 0 ECADRL O=C([O-])NC1(c2noc(Cn3[n-]cc4c(=O)ncnc3-4)n2)CCC1 ZINC000740548515 579752386 /nfs/dbraw/zinc/75/23/86/579752386.db2.gz HGYJWBZJCBFPNK-UHFFFAOYSA-N -2 0 331.292 0.149 20 0 ECADRL O=C([O-])N[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1ccccc1 ZINC000740686761 579759359 /nfs/dbraw/zinc/75/93/59/579759359.db2.gz GJLDSUPMIKYRJH-WDEREUQCSA-N -2 0 332.320 0.109 20 0 ECADRL O=C([O-])NCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000834234899 588891152 /nfs/dbraw/zinc/89/11/52/588891152.db2.gz ZJSDDJIKGUBGJL-UHFFFAOYSA-N -2 0 344.345 0.658 20 0 ECADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(OC2CC2)cc1)C(=O)[O-] ZINC000837288696 588947696 /nfs/dbraw/zinc/94/76/96/588947696.db2.gz DQRVJXRKNNOLLP-SECBINFHSA-N -2 0 343.357 0.682 20 0 ECADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1 ZINC000841776304 589000442 /nfs/dbraw/zinc/00/04/42/589000442.db2.gz HLHDCGZHWRNBEL-UHFFFAOYSA-N -2 0 348.402 0.996 20 0 ECADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000843333047 589062046 /nfs/dbraw/zinc/06/20/46/589062046.db2.gz HSSYVQDZMMQYAH-VIFPVBQESA-N -2 0 336.270 0.609 20 0 ECADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000816731730 587321834 /nfs/dbraw/zinc/32/18/34/587321834.db2.gz CFVIAJIFTVVDNQ-UHFFFAOYSA-N -2 0 344.306 0.887 20 0 ECADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000822623097 587669805 /nfs/dbraw/zinc/66/98/05/587669805.db2.gz OJNSVOKVUICMHL-UHFFFAOYSA-N -2 0 349.332 0.099 20 0 ECADRL O=S(=O)([N-]Cc1ccc[nH]1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578217 587732098 /nfs/dbraw/zinc/73/20/98/587732098.db2.gz KFJYPLLHTOCDQY-UHFFFAOYSA-N -2 0 340.315 0.952 20 0 ECADRL CC(=O)c1csc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000823640471 587735782 /nfs/dbraw/zinc/73/57/82/587735782.db2.gz GGYKBJKRAJVXKH-VIFPVBQESA-N -2 0 346.386 0.763 20 0 ECADRL CC(C)(C)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)[nH]n1 ZINC000823854959 587745894 /nfs/dbraw/zinc/74/58/94/587745894.db2.gz ZEJFYFRAPCIAAL-QMMMGPOBSA-N -2 0 344.393 0.519 20 0 ECADRL CC(C)(CNC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000823964725 587846123 /nfs/dbraw/zinc/84/61/23/587846123.db2.gz KNOROCJFXOCJHQ-UHFFFAOYSA-N -2 0 335.769 0.834 20 0 ECADRL C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1)C(=O)[O-] ZINC000824412821 587872978 /nfs/dbraw/zinc/87/29/78/587872978.db2.gz GOAPZGMDAXNHFF-NXEZZACHSA-N -2 0 333.348 0.813 20 0 ECADRL C[C@@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000824868125 587900006 /nfs/dbraw/zinc/90/00/06/587900006.db2.gz IQVLDNRKFUVAMA-QMMMGPOBSA-N -2 0 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O=C([O-])NC[C@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000740645168 579757374 /nfs/dbraw/zinc/75/73/74/579757374.db2.gz WSPUOVDJFJXAPX-SNVBAGLBSA-N -2 0 338.389 0.598 20 0 ECADRL O=C([O-])N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000834134112 588883515 /nfs/dbraw/zinc/88/35/15/588883515.db2.gz GGMOIQMPOJUORU-LURJTMIESA-N -2 0 328.318 0.844 20 0 ECADRL O=C([O-])N[C@H]1CCc2ncc(NC(=O)NCc3n[nH]c(=O)[n-]3)cc2C1 ZINC000834196850 588888722 /nfs/dbraw/zinc/88/87/22/588888722.db2.gz PIRFMOYLGGZCSL-QMMMGPOBSA-N -2 0 347.335 0.352 20 0 ECADRL O=C([O-])NCc1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000834246121 588891934 /nfs/dbraw/zinc/89/19/34/588891934.db2.gz IPACLXIQOWOBQS-UHFFFAOYSA-N -2 0 345.315 0.441 20 0 ECADRL O=C([O-])NCc1nc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cs1 ZINC000834249561 588892147 /nfs/dbraw/zinc/89/21/47/588892147.db2.gz STWWKQUNABKZBP-ZETCQYMHSA-N -2 0 349.390 0.149 20 0 ECADRL CC(C)[C@H](CO)O[N-]C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000836903094 588938236 /nfs/dbraw/zinc/93/82/36/588938236.db2.gz XBEMRSUGTGCARH-LBPRGKRZSA-N -2 0 337.401 0.750 20 0 ECADRL O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)COC1CC1 ZINC000902064948 586719544 /nfs/dbraw/zinc/71/95/44/586719544.db2.gz IZVKCIJGGHHUSJ-WPRPVWTQSA-N -2 0 338.282 0.288 20 0 ECADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000819959592 587499599 /nfs/dbraw/zinc/49/95/99/587499599.db2.gz IPHLTAHJLKSZRL-NRFANRHFSA-N -2 0 346.430 0.260 20 0 ECADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000820864745 587561078 /nfs/dbraw/zinc/56/10/78/587561078.db2.gz GYURFBILTOUJCO-CWKPULSASA-N -2 0 349.430 0.284 20 0 ECADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C2(C)CC2)c1 ZINC000821072169 587571800 /nfs/dbraw/zinc/57/18/00/587571800.db2.gz BPHWXXVRNPUIPV-HXUWFJFHSA-N -2 0 331.415 0.801 20 0 ECADRL O=C([O-])Cc1cccc(NC(=O)C(=O)[N-]OCc2cccnc2)c1 ZINC000821536775 587599294 /nfs/dbraw/zinc/59/92/94/587599294.db2.gz AEQVDFJUNSKGIV-UHFFFAOYSA-N -2 0 329.312 0.895 20 0 ECADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000822266765 587650803 /nfs/dbraw/zinc/65/08/03/587650803.db2.gz HQGHBRSWMBCPGJ-UHFFFAOYSA-N -2 0 346.372 0.632 20 0 ECADRL C[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C1CCN(C(=O)[O-])CC1 ZINC000824679388 587885862 /nfs/dbraw/zinc/88/58/62/587885862.db2.gz KLANRWUNQQFOFR-CMPLNLGQSA-N -2 0 348.421 0.638 20 0 ECADRL C[C@@H](CC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1)NC(=O)[O-] ZINC000824730701 587890839 /nfs/dbraw/zinc/89/08/39/587890839.db2.gz ZDHWOWWMYYSVMX-QMMMGPOBSA-N -2 0 341.345 0.598 20 0 ECADRL C[C@@H](Cc1noc(Cn2[n-]cc3c(=O)ncnc2-3)n1)N(C)C(=O)[O-] ZINC000825048663 587914079 /nfs/dbraw/zinc/91/40/79/587914079.db2.gz VLIWHKTYIZICJA-ZETCQYMHSA-N -2 0 333.308 0.043 20 0 ECADRL CCC[C@@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)c1nnn[n-]1 ZINC000826745186 588081650 /nfs/dbraw/zinc/08/16/50/588081650.db2.gz VVDRLEZAZAUHAK-NXEZZACHSA-N -2 0 326.357 0.316 20 0 ECADRL CCCN(C)S(=O)(=O)[N-]C(=O)c1csc(CNC(=O)[O-])n1 ZINC000826893598 588088712 /nfs/dbraw/zinc/08/87/12/588088712.db2.gz VTVFGTKBAYWVQU-UHFFFAOYSA-N -2 0 336.395 0.227 20 0 ECADRL C[C@H](CS(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCCO2)C(=O)[O-] ZINC000827569802 588128971 /nfs/dbraw/zinc/12/89/71/588128971.db2.gz ARRHQLVGCYQAGE-SSDOTTSWSA-N -2 0 345.329 0.618 20 0 ECADRL CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000827876012 588144882 /nfs/dbraw/zinc/14/48/82/588144882.db2.gz NIIJJINFZGWCOP-JTQLQIEISA-N -2 0 341.389 0.882 20 0 ECADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)ccc2O1 ZINC000828516787 588186671 /nfs/dbraw/zinc/18/66/71/588186671.db2.gz ROFWJNIDPCKJSA-MRVPVSSYSA-N -2 0 338.345 0.487 20 0 ECADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1=O ZINC000829050621 588313724 /nfs/dbraw/zinc/31/37/24/588313724.db2.gz ULGAXMKCXAWNBY-CYBMUJFWSA-N -2 0 341.345 0.299 20 0 ECADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)ccc1F ZINC000829087868 588315099 /nfs/dbraw/zinc/31/50/99/588315099.db2.gz RRNVEAVZVRHGJU-SECBINFHSA-N -2 0 346.336 0.646 20 0 ECADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)ccc1C ZINC000829086270 588315149 /nfs/dbraw/zinc/31/51/49/588315149.db2.gz GJVJGNGSCBFWDA-LLVKDONJSA-N -2 0 342.373 0.816 20 0 ECADRL COc1ccc(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)cc1OC ZINC000829506698 588327605 /nfs/dbraw/zinc/32/76/05/588327605.db2.gz GGRKQIGKNNTJMT-UHFFFAOYSA-N -2 0 344.345 0.309 20 0 ECADRL CSCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000829729885 588337691 /nfs/dbraw/zinc/33/76/91/588337691.db2.gz JICXQDADNXDPGE-YFKPBYRVSA-N -2 0 338.329 0.384 20 0 ECADRL Cc1cc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000829909709 588347771 /nfs/dbraw/zinc/34/77/71/588347771.db2.gz YEQFZTDCIOKYNE-ZETCQYMHSA-N -2 0 335.320 0.473 20 0 ECADRL Cc1cc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000829930578 588348588 /nfs/dbraw/zinc/34/85/88/588348588.db2.gz YEDRHMCZCAYOJT-QMMMGPOBSA-N -2 0 347.331 0.569 20 0 ECADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000830856541 588389347 /nfs/dbraw/zinc/38/93/47/588389347.db2.gz NNCAVCCFPOJFHI-SSDOTTSWSA-N -2 0 332.382 0.088 20 0 ECADRL Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000830898346 588391112 /nfs/dbraw/zinc/39/11/12/588391112.db2.gz AISXXVJCBOYHJX-SECBINFHSA-N -2 0 345.377 0.918 20 0 ECADRL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000831124382 588406781 /nfs/dbraw/zinc/40/67/81/588406781.db2.gz OSDJEKVMZYXBJG-LURJTMIESA-N -2 0 335.359 0.450 20 0 ECADRL O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)c2cc(F)ccc2F)C1 ZINC000831747679 588446681 /nfs/dbraw/zinc/44/66/81/588446681.db2.gz KGPOURQZODCAKY-QMMMGPOBSA-N -2 0 334.300 0.777 20 0 ECADRL O=C([O-])NC1(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000832176352 588472176 /nfs/dbraw/zinc/47/21/76/588472176.db2.gz ZGWYJEMNVKXCNP-UHFFFAOYSA-N -2 0 333.753 0.481 20 0 ECADRL O=C([O-])NC[C@@H](C(=O)[N-]S(=O)(=O)c1cccnc1)c1ccccc1 ZINC000832415145 588482838 /nfs/dbraw/zinc/48/28/38/588482838.db2.gz NFYRVPIJKCSRNV-CYBMUJFWSA-N -2 0 349.368 0.938 20 0 ECADRL O=C([O-])NCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1 ZINC000832702241 588497939 /nfs/dbraw/zinc/49/79/39/588497939.db2.gz MTDPHMHGANHCGN-UHFFFAOYSA-N -2 0 339.329 0.702 20 0 ECADRL O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3cc(=O)[nH][n-]3)cc2)[nH]1 ZINC000832730500 588501898 /nfs/dbraw/zinc/50/18/98/588501898.db2.gz RWGFRGGTKOGMEW-UHFFFAOYSA-N -2 0 343.303 0.054 20 0 ECADRL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833033907 588515276 /nfs/dbraw/zinc/51/52/76/588515276.db2.gz PALFUWCOPLWPRO-UHFFFAOYSA-N -2 0 344.374 0.237 20 0 ECADRL O=C([O-])c1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1F ZINC000833119476 588522981 /nfs/dbraw/zinc/52/29/81/588522981.db2.gz NBSLFPZYNBFCBE-UHFFFAOYSA-N -2 0 331.263 0.547 20 0 ECADRL CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)nc1C ZINC000833682335 588558351 /nfs/dbraw/zinc/55/83/51/588558351.db2.gz SCVAZSDZJAFZJV-UHFFFAOYSA-N -2 0 328.306 0.016 20 0 ECADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000833723556 588563120 /nfs/dbraw/zinc/56/31/20/588563120.db2.gz MIBBTAYSRSQIPD-UHFFFAOYSA-N -2 0 331.346 0.415 20 0 ECADRL COc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cccc1C(N)=O ZINC000833727289 588563397 /nfs/dbraw/zinc/56/33/97/588563397.db2.gz ROMJWNDVEALBDM-UHFFFAOYSA-N -2 0 340.313 0.886 20 0 ECADRL COCCN(CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC000833884513 588576128 /nfs/dbraw/zinc/57/61/28/588576128.db2.gz NNKPFTRZYXWQOY-LLVKDONJSA-N -2 0 330.381 0.962 20 0 ECADRL Cn1ncc2c1nc(COC(=O)c1cnc(NC(=O)[O-])cn1)[nH]c2=O ZINC000833960479 588582002 /nfs/dbraw/zinc/58/20/02/588582002.db2.gz ASSWKLKJVXINTA-UHFFFAOYSA-N -2 0 345.275 0.306 20 0 ECADRL O=C(CC1CCN(C(=O)[O-])CC1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000833988300 588584798 /nfs/dbraw/zinc/58/47/98/588584798.db2.gz QQKWPOWPFULAHU-LBPRGKRZSA-N -2 0 348.421 0.782 20 0 ECADRL O=C(CC1CCN(C(=O)[O-])CC1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000833988299 588584825 /nfs/dbraw/zinc/58/48/25/588584825.db2.gz QQKWPOWPFULAHU-GFCCVEGCSA-N -2 0 348.421 0.782 20 0 ECADRL O=C(COC1CN(C(=O)[O-])C1)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000834009128 588586708 /nfs/dbraw/zinc/58/67/08/588586708.db2.gz BQULFLNEUHKGOO-RYUDHWBXSA-N -2 0 328.365 0.905 20 0 ECADRL O=C([O-])[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)c1cc(F)ccc1F ZINC000834010581 588587037 /nfs/dbraw/zinc/58/70/37/588587037.db2.gz PFEBBQBQDUJVES-LBPRGKRZSA-N -2 0 344.270 0.586 20 0 ECADRL O=C([O-])[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000834011553 588587047 /nfs/dbraw/zinc/58/70/47/588587047.db2.gz XHMWOYRYWHEBTM-LBPRGKRZSA-N -2 0 342.735 0.961 20 0 ECADRL CSCCO[N-]C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000850787653 589383560 /nfs/dbraw/zinc/38/35/60/589383560.db2.gz UXDOWRFAXYWLQB-UHFFFAOYSA-N -2 0 330.366 0.052 20 0 ECADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)n1 ZINC000850787290 589383656 /nfs/dbraw/zinc/38/36/56/589383656.db2.gz NPERSZAZHGPDHG-JTQLQIEISA-N -2 0 340.336 0.216 20 0 ECADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)CC(F)F ZINC000851362691 589401026 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20 0 ECADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1cccn1 ZINC000852959287 589528262 /nfs/dbraw/zinc/52/82/62/589528262.db2.gz ZZFKGIPADCOQCH-SCZZXKLOSA-N -2 0 348.281 0.006 20 0 ECADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2cccnc2)CCOCC1 ZINC000863952967 590047808 /nfs/dbraw/zinc/04/78/08/590047808.db2.gz KYLFGVPWOZCJTP-UHFFFAOYSA-N -2 0 328.346 0.158 20 0 ECADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])s1 ZINC000863953807 590048174 /nfs/dbraw/zinc/04/81/74/590048174.db2.gz ZPENTAMXTYNINN-UHFFFAOYSA-N -2 0 335.359 0.450 20 0 ECADRL Cn1cnc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1Cl ZINC000863954044 590048191 /nfs/dbraw/zinc/04/81/91/590048191.db2.gz JOIQDOAHIYTCCQ-UHFFFAOYSA-N -2 0 333.753 0.299 20 0 ECADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC000863954805 590048278 /nfs/dbraw/zinc/04/82/78/590048278.db2.gz NFBONBGBWCMOMN-QMMMGPOBSA-N -2 0 334.375 0.009 20 0 ECADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000863956292 590048498 /nfs/dbraw/zinc/04/84/98/590048498.db2.gz MEWVFYJQWGNNPV-UHFFFAOYSA-N -2 0 326.252 0.770 20 0 ECADRL O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc1 ZINC000863957988 590048987 /nfs/dbraw/zinc/04/89/87/590048987.db2.gz LKUASLOMCXCDKT-LBPRGKRZSA-N -2 0 343.357 0.389 20 0 ECADRL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863957919 590049048 /nfs/dbraw/zinc/04/90/48/590049048.db2.gz JBNWVNZGQMSXOD-CQSZACIVSA-N -2 0 343.405 0.845 20 0 ECADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc1 ZINC000863958156 590049129 /nfs/dbraw/zinc/04/91/29/590049129.db2.gz NILNMMPYUMTZFA-UHFFFAOYSA-N -2 0 342.373 0.304 20 0 ECADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863958731 590049465 /nfs/dbraw/zinc/04/94/65/590049465.db2.gz IZWMMLYIBFSKPS-RGOKHQFPSA-N -2 0 335.378 0.131 20 0 ECADRL COc1c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)c(C)nn1C ZINC000863959660 590049814 /nfs/dbraw/zinc/04/98/14/590049814.db2.gz MSKDYLYDMAYCRU-MRVPVSSYSA-N -2 0 347.393 0.289 20 0 ECADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863961445 590050301 /nfs/dbraw/zinc/05/03/01/590050301.db2.gz LREYMCIEGGWPAB-LKFCYVNXSA-N -2 0 349.405 0.665 20 0 ECADRL Cc1c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)cnn1C ZINC000863962387 590050555 /nfs/dbraw/zinc/05/05/55/590050555.db2.gz JLBJMJSBNCKZAH-NSHDSACASA-N -2 0 329.378 0.424 20 0 ECADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC000863962816 590050753 /nfs/dbraw/zinc/05/07/53/590050753.db2.gz YNGGTKXLBCGTLE-UHFFFAOYSA-N -2 0 343.357 0.644 20 0 ECADRL COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1)OC ZINC000863964454 590051179 /nfs/dbraw/zinc/05/11/79/590051179.db2.gz KBIHFMFFSALIKJ-NSHDSACASA-N -2 0 331.346 0.106 20 0 ECADRL COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1)OC ZINC000863964563 590051306 /nfs/dbraw/zinc/05/13/06/590051306.db2.gz LUEFSLNVDFYZMP-NSHDSACASA-N -2 0 331.346 0.106 20 0 ECADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)CCc1ccc(F)cc1)C1CC1 ZINC000863965211 590051404 /nfs/dbraw/zinc/05/14/04/590051404.db2.gz VCQJPZBHLISUJN-GFCCVEGCSA-N -2 0 329.349 0.925 20 0 ECADRL COC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c(C)o1 ZINC000863965560 590051533 /nfs/dbraw/zinc/05/15/33/590051533.db2.gz IQBPICIAKOKKHU-SNVBAGLBSA-N -2 0 347.345 0.536 20 0 ECADRL COC(=O)c1csc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000737714039 600530899 /nfs/dbraw/zinc/53/08/99/600530899.db2.gz OOOLWBOKZVMNQW-UHFFFAOYSA-N -2 0 345.358 0.617 20 0 ECADRL Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H](C)C2)c1[O-] ZINC000947204166 608916031 /nfs/dbraw/zinc/91/60/31/608916031.db2.gz BBALSQQSFXDPNF-APPZFPTMSA-N -2 0 335.368 0.030 20 0 ECADRL Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)c2n[nH]c(C)c2[O-])c1[O-] ZINC000955967547 612537995 /nfs/dbraw/zinc/53/79/95/612537995.db2.gz AFCLOIRYJIVPTM-VIFPVBQESA-N -2 0 348.363 0.195 20 0 ECADRL Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)c2ncccc2O)c1[O-] ZINC000955979417 612557567 /nfs/dbraw/zinc/55/75/67/612557567.db2.gz JICVOCULGPEBFJ-JTQLQIEISA-N -2 0 345.359 0.559 20 0 ECADRL COC(=O)[C@@H](Nc1ccc(P(=O)([O-])[O-])cc1)C1CCOCC1 ZINC001167399894 734147910 /nfs/dbraw/zinc/14/79/10/734147910.db2.gz ATCRZMIXQXEJNR-ZDUSSCGKSA-N -2 0 329.289 0.870 20 0 ECADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cn1C ZINC000336867341 201089921 /nfs/dbraw/zinc/08/99/21/201089921.db2.gz RAUAXSIJGRPXFD-UHFFFAOYSA-N -2 0 337.357 0.884 20 0 ECADRL Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000324826972 201078671 /nfs/dbraw/zinc/07/86/71/201078671.db2.gz HFSKYYZSAWPCQS-UHFFFAOYSA-N -2 0 348.344 0.798 20 0 ECADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000275077086 201277095 /nfs/dbraw/zinc/27/70/95/201277095.db2.gz HZKZZMWVPPUBFS-VXGBXAGGSA-N -2 0 343.357 0.491 20 0 ECADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000274967517 201274408 /nfs/dbraw/zinc/27/44/08/201274408.db2.gz BZYWETMLTNKWOI-RKDXNWHRSA-N -2 0 349.311 0.761 20 0 ECADRL COc1cc(C)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000274991155 263537178 /nfs/dbraw/zinc/53/71/78/263537178.db2.gz MRHYSRYSUCAGJH-JTQLQIEISA-N -2 0 345.373 0.766 20 0 ECADRL C[C@H]1Cc2cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000275130538 263553711 /nfs/dbraw/zinc/55/37/11/263553711.db2.gz VFQLUOKQFVPJTE-KWQFWETISA-N -2 0 343.357 0.606 20 0 ECADRL COc1ccc(Cl)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000278149195 263818131 /nfs/dbraw/zinc/81/81/31/263818131.db2.gz AVIBIMZCWDBXLJ-SSDOTTSWSA-N -2 0 337.737 0.555 20 0 ECADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C(N)=O)n1 ZINC000278556235 263837861 /nfs/dbraw/zinc/83/78/61/263837861.db2.gz HBIDIGKKXHJXAX-UHFFFAOYSA-N -2 0 342.333 0.402 20 0 ECADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000296936597 265125586 /nfs/dbraw/zinc/12/55/86/265125586.db2.gz LYQKKDWJQOEZOL-UHFFFAOYSA-N -2 0 341.341 0.366 20 0 ECADRL CC(=O)NCCN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H](C)C(=O)[O-] ZINC000263450423 278107381 /nfs/dbraw/zinc/10/73/81/278107381.db2.gz SDDSKUZYAGOCGL-ZCFIWIBFSA-N -2 0 348.277 0.861 20 0 ECADRL NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360510885 437616937 /nfs/dbraw/zinc/61/69/37/437616937.db2.gz IYJISYDDTWCAQW-UHFFFAOYSA-N -2 0 336.325 0.990 20 0 ECADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cn(C)cn2)c1OC ZINC000342738174 297770402 /nfs/dbraw/zinc/77/04/02/297770402.db2.gz TUPJQOSXXJBTDL-UHFFFAOYSA-N -2 0 341.345 0.936 20 0 ECADRL O=C([O-])c1ccc(CNS(=O)(=O)c2cn3c(n2)CCCC3)o1 ZINC000364402346 300353328 /nfs/dbraw/zinc/35/33/28/300353328.db2.gz XHRILJHXFAYRIW-UHFFFAOYSA-N -2 0 325.346 0.989 20 0 ECADRL Cn1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cn1 ZINC000547564400 302261975 /nfs/dbraw/zinc/26/19/75/302261975.db2.gz CEFBOSDGAOSXEB-UHFFFAOYSA-N -2 0 326.290 0.827 20 0 ECADRL COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000547613273 302264676 /nfs/dbraw/zinc/26/46/76/302264676.db2.gz VREAVFRYBUAWOI-UHFFFAOYSA-N -2 0 346.342 0.699 20 0 ECADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000547882754 302274424 /nfs/dbraw/zinc/27/44/24/302274424.db2.gz YISJXWRRWXQKCW-UHFFFAOYSA-N -2 0 347.736 0.376 20 0 ECADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1c[nH]c2ncccc12)C(=O)[O-] ZINC000547885882 302274734 /nfs/dbraw/zinc/27/47/34/302274734.db2.gz WJKOZYKSCAXKHS-ZETCQYMHSA-N -2 0 327.318 0.017 20 0 ECADRL CCCN(CCC)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548575835 302310842 /nfs/dbraw/zinc/31/08/42/302310842.db2.gz ISDLDFJLPKZSLS-ZDUSSCGKSA-N -2 0 336.410 0.605 20 0 ECADRL CC(C)n1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cn1 ZINC000548591133 302312004 /nfs/dbraw/zinc/31/20/04/302312004.db2.gz BEXJNMXYQUXNQL-LBPRGKRZSA-N -2 0 333.366 0.308 20 0 ECADRL C[C@@H]1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000262216474 436916654 /nfs/dbraw/zinc/91/66/54/436916654.db2.gz LWIYOWDRSHXZAM-SKDRFNHKSA-N -2 0 342.373 0.372 20 0 ECADRL COCc1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274925551 436895233 /nfs/dbraw/zinc/89/52/33/436895233.db2.gz CAAHZITWORICRS-JTQLQIEISA-N -2 0 331.346 0.287 20 0 ECADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2ncsc2c1)C(=O)[O-] ZINC000274958684 436899621 /nfs/dbraw/zinc/89/96/21/436899621.db2.gz IVLUEJCZNVYHSQ-SSDOTTSWSA-N -2 0 344.370 0.750 20 0 ECADRL Nc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000274964101 436901505 /nfs/dbraw/zinc/90/15/05/436901505.db2.gz BQJDAJPLHGXHFU-CYBMUJFWSA-N -2 0 328.346 0.209 20 0 ECADRL COc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c(C)c1 ZINC000274989569 436905707 /nfs/dbraw/zinc/90/57/07/436905707.db2.gz MNZVWJSSMIXGKV-SECBINFHSA-N -2 0 331.346 0.457 20 0 ECADRL Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2[n-]c1=S ZINC000269126016 302897921 /nfs/dbraw/zinc/89/79/21/302897921.db2.gz XSXZNSSWNSVOIU-LLVKDONJSA-N -2 0 333.369 0.911 20 0 ECADRL O=C([O-])[C@H]1CC[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1 ZINC000329862965 437422482 /nfs/dbraw/zinc/42/24/82/437422482.db2.gz 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CCn1ncn([N-]C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1=O ZINC000820390437 587531703 /nfs/dbraw/zinc/53/17/03/587531703.db2.gz BSCZNZUBAWYKEF-UHFFFAOYSA-N -2 0 348.750 0.993 20 0 ECADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000820864746 587561100 /nfs/dbraw/zinc/56/11/00/587561100.db2.gz GYURFBILTOUJCO-LADRHHBVSA-N -2 0 349.430 0.284 20 0 ECADRL CC(C)(CNC(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000823965057 587846130 /nfs/dbraw/zinc/84/61/30/587846130.db2.gz RTQGQXIXLUROAT-UHFFFAOYSA-N -2 0 349.796 0.975 20 0 ECADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C1CCN(C(=O)[O-])CC1 ZINC000824679391 587886043 /nfs/dbraw/zinc/88/60/43/587886043.db2.gz KLANRWUNQQFOFR-ZYHUDNBSSA-N -2 0 348.421 0.638 20 0 ECADRL C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000825616672 587953227 /nfs/dbraw/zinc/95/32/27/587953227.db2.gz IJOMXJYINWQEDT-PWSUYJOCSA-N -2 0 342.373 0.652 20 0 ECADRL CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC000825680104 587955923 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339.416 0.931 20 0 ECADRL O=C([O-])C[C@@H](C(=O)Oc1cccc(Br)c1)[C@@H](O)C(=O)[O-] ZINC001225227415 752722042 /nfs/dbraw/zinc/72/20/42/752722042.db2.gz XLXKTRPCIYAWOQ-PSASIEDQSA-N -2 0 347.117 0.891 20 0 ECADRL Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C)c1[O-] ZINC000993231406 768613423 /nfs/dbraw/zinc/61/34/23/768613423.db2.gz YJXFZNAIGRARHJ-DTWKUNHWSA-N -2 0 335.368 0.030 20 0 ECADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262874092 165397352 /nfs/dbraw/zinc/39/73/52/165397352.db2.gz YAMXQKDTURLZHT-ZDUSSCGKSA-N -2 0 330.337 0.697 20 0 ECADRL C[C@H](CO[N-]C(=O)c1cnc([O-])n(C)c1=O)NC(=O)OC(C)(C)C ZINC000273145146 263398978 /nfs/dbraw/zinc/39/89/78/263398978.db2.gz XUXLLLSKIWZGQW-MRVPVSSYSA-N -2 0 342.352 0.061 20 0 ECADRL O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000274898359 263521880 /nfs/dbraw/zinc/52/18/80/263521880.db2.gz HMFCRUBVQUGTCB-SECBINFHSA-N -2 0 339.728 0.826 20 0 ECADRL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(F)c1 ZINC000275158461 263557967 /nfs/dbraw/zinc/55/79/67/263557967.db2.gz STCISJQMFYPXKK-VHSXEESVSA-N -2 0 345.348 0.930 20 0 ECADRL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(C)o1 ZINC000275195076 263564886 /nfs/dbraw/zinc/56/48/86/263564886.db2.gz YGCOODJUEGSFTP-UWVGGRQHSA-N -2 0 331.346 0.692 20 0 ECADRL COc1cncc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000282014767 264004535 /nfs/dbraw/zinc/00/45/35/264004535.db2.gz XDLLKHCQHJTHHX-SNVBAGLBSA-N -2 0 332.334 0.077 20 0 ECADRL Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000282079892 264012993 /nfs/dbraw/zinc/01/29/93/264012993.db2.gz WFGKVPVXKNECML-SECBINFHSA-N -2 0 333.337 0.896 20 0 ECADRL COC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000359835282 299901095 /nfs/dbraw/zinc/90/10/95/299901095.db2.gz QNGGQGUBDPUZNE-UHFFFAOYSA-N -2 0 325.302 0.695 20 0 ECADRL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000343940248 297962055 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