smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS[C@H]1CC[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000689231670 954648268 /nfs/dbraw/zinc/64/82/68/954648268.db2.gz DJXIQAMCWVPGIN-GUBZILKMSA-N -1 0 308.425 0.654 10 0 DCAERM O=C([O-])[C@H]1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000694079779 954772335 /nfs/dbraw/zinc/77/23/35/954772335.db2.gz JAOBIEHJVSHFNK-VHSXEESVSA-N -1 0 304.368 0.070 10 0 DCAERM CC(C)(CCCO)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689202942 968890290 /nfs/dbraw/zinc/89/02/90/968890290.db2.gz SOGKENQFTZBEGL-JTQLQIEISA-N -1 0 308.400 0.169 10 0 DCAERM CO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000689183749 968890582 /nfs/dbraw/zinc/89/05/82/968890582.db2.gz IKSNTDKVJLQHPM-QWRGUYRKSA-N -1 0 306.384 0.281 10 0 DCAERM Cc1c(S(=O)(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cnn1C ZINC000687071236 976129521 /nfs/dbraw/zinc/12/95/21/976129521.db2.gz AJCCQAPXPUHVHZ-LBPRGKRZSA-N -1 0 301.368 0.650 10 0 DCAERM COCC(COC)S(=O)(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000687074492 976132881 /nfs/dbraw/zinc/13/28/81/976132881.db2.gz DGKGITHWTQPQPM-GFCCVEGCSA-N -1 0 309.384 0.211 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CO[C@@H](C3CC3)C2)c[nH]1 ZINC000691316273 976353199 /nfs/dbraw/zinc/35/31/99/976353199.db2.gz HIGZIPLUOCNIFV-LDYMZIIASA-N -1 0 300.336 0.559 10 0 DCAERM C[C@@H](O)CN(C1CC1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000691513065 976360163 /nfs/dbraw/zinc/36/01/63/976360163.db2.gz MKKYPPWMMWPRPM-SSDOTTSWSA-N -1 0 305.377 0.980 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](CCF)C2)o1 ZINC000691930193 976391157 /nfs/dbraw/zinc/39/11/57/976391157.db2.gz OZKUGAVCWALICA-QMMMGPOBSA-N -1 0 307.299 0.727 10 0 DCAERM CN(C(=O)N[C@H]1CCCS(=O)(=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693029207 976571297 /nfs/dbraw/zinc/57/12/97/976571297.db2.gz ACUWLZKRGBLYQS-LPEHRKFASA-N -1 0 304.368 0.068 10 0 DCAERM Cn1ncc(Br)c1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000693072318 976586794 /nfs/dbraw/zinc/58/67/94/976586794.db2.gz XZRZMRYHEUNPEC-JTQLQIEISA-N -1 0 318.127 0.156 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCC2SCCS2)C1 ZINC000693777536 976655046 /nfs/dbraw/zinc/65/50/46/976655046.db2.gz RNYUGTQLQWOLHZ-BDAKNGLRSA-N -1 0 320.436 0.660 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)c1 ZINC000694183875 976677990 /nfs/dbraw/zinc/67/79/90/976677990.db2.gz SDZBNMISMJZYPT-PSASIEDQSA-N -1 0 303.336 0.807 10 0 DCAERM O=C([O-])C1=CC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000694956336 976755466 /nfs/dbraw/zinc/75/54/66/976755466.db2.gz VFWDJSSMOVOTQD-ZJUUUORDSA-N -1 0 302.352 0.036 10 0 DCAERM COCCN(CCF)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000697326113 976840414 /nfs/dbraw/zinc/84/04/14/976840414.db2.gz JNBYDSAKRNPCPS-UHFFFAOYSA-N -1 0 309.319 0.023 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1Cl ZINC000698968896 976905473 /nfs/dbraw/zinc/90/54/73/976905473.db2.gz GHOSTWXZNFPSSN-VIFPVBQESA-N -1 0 318.738 0.205 10 0 DCAERM O=C([O-])c1ccc(NC(=O)CNC(=O)c2ccccn2)c(O)c1 ZINC000090636070 185307723 /nfs/dbraw/zinc/30/77/23/185307723.db2.gz FPZODJQVNBHHPM-UHFFFAOYSA-N -1 0 315.285 0.854 10 0 DCAERM Cc1nc2c(cc1C(=O)[O-])c(=O)[nH]c(=O)n2Cc1ccco1 ZINC000072417075 191155574 /nfs/dbraw/zinc/15/55/74/191155574.db2.gz HUYTYGJBTJNDHN-UHFFFAOYSA-N -1 0 301.258 0.733 10 0 DCAERM O=C([O-])Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 ZINC000073658486 191337611 /nfs/dbraw/zinc/33/76/11/191337611.db2.gz SUTYWGCTDKKOJH-UHFFFAOYSA-N -1 0 300.270 0.889 10 0 DCAERM CCc1nc(-c2cccnc2)n2c(=O)n(CC(=O)[O-])nc2c1C ZINC000073695123 191342849 /nfs/dbraw/zinc/34/28/49/191342849.db2.gz JFPGLECAYKVICU-UHFFFAOYSA-N -1 0 313.317 0.908 10 0 DCAERM O=C([O-])c1ccccc1NC(=S)N[C@H]1CCS(=O)(=O)C1 ZINC000005616570 181263929 /nfs/dbraw/zinc/26/39/29/181263929.db2.gz NDCRESKQTQHIMT-QMMMGPOBSA-N -1 0 314.388 0.858 10 0 DCAERM CCCN1CCN(C(=O)CSCC(=O)[O-])C(C)(C)C1=O ZINC000263432880 283343964 /nfs/dbraw/zinc/34/39/64/283343964.db2.gz NWNBEGPGUIHGMS-UHFFFAOYSA-N -1 0 302.396 0.664 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000164873233 291248347 /nfs/dbraw/zinc/24/83/47/291248347.db2.gz OKFAYOFACOEYBZ-SKDRFNHKSA-N -1 0 307.368 0.502 10 0 DCAERM O=C([O-])[C@@H]1[NH2+]CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1C(=O)[O-] ZINC000006092699 304154807 /nfs/dbraw/zinc/15/48/07/304154807.db2.gz YWCVPDCUINPDGB-ZJUUUORDSA-N -1 0 312.709 0.292 10 0 DCAERM C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000282587611 217108867 /nfs/dbraw/zinc/10/88/67/217108867.db2.gz PUYBEPDJHOUAIB-XCBNKYQSSA-N -1 0 304.318 0.910 10 0 DCAERM NC(=S)c1ccccc1S(=O)(=O)[N-]c1nncs1 ZINC000019814743 182153308 /nfs/dbraw/zinc/15/33/08/182153308.db2.gz ONOUUJDQMTUQLV-UHFFFAOYSA-N -1 0 300.390 0.973 10 0 DCAERM Cc1nn(CCC(=O)[O-])c(C)c1S(=O)(=O)N1CCCC1 ZINC000021948704 182299617 /nfs/dbraw/zinc/29/96/17/182299617.db2.gz BPYSKSURTOZZDI-UHFFFAOYSA-N -1 0 301.368 0.759 10 0 DCAERM CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000022159840 182311553 /nfs/dbraw/zinc/31/15/53/182311553.db2.gz QIFFHSJRJRSLRD-MRVPVSSYSA-N -1 0 317.367 0.248 10 0 DCAERM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000408221662 296286426 /nfs/dbraw/zinc/28/64/26/296286426.db2.gz JWFJAGASHYASOM-QLJPJBMISA-N -1 0 323.393 0.793 10 0 DCAERM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CNC(=O)C1 ZINC000110348825 194324101 /nfs/dbraw/zinc/32/41/01/194324101.db2.gz HXLCMRMGDAWNFX-SSDOTTSWSA-N -1 0 306.347 0.079 10 0 DCAERM O=C([O-])[C@H](CCO)NC(=O)c1ccc(Br)cn1 ZINC000061860590 184189991 /nfs/dbraw/zinc/18/99/91/184189991.db2.gz SDJAUYGJXKPJIO-QMMMGPOBSA-N -1 0 303.112 0.410 10 0 DCAERM CCCc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000013028409 395688472 /nfs/dbraw/zinc/68/84/72/395688472.db2.gz JHZWQNLRUOAVCW-AAEUAGOBSA-N -1 0 313.375 0.848 10 0 DCAERM COC(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000049063147 395827797 /nfs/dbraw/zinc/82/77/97/395827797.db2.gz LZAVESYXCYALNY-UHFFFAOYSA-N -1 0 303.292 0.395 10 0 DCAERM CNC(=O)[C@H]1CC[C@H](CCC(=O)[O-])CN1C(=O)C(F)(F)F ZINC000114334190 395833989 /nfs/dbraw/zinc/83/39/89/395833989.db2.gz QRNLRNZXTANTMM-HTQZYQBOSA-N -1 0 310.272 0.767 10 0 DCAERM O=C([O-])c1cccc(NC(=O)N2CCS(=O)(=O)CC2)c1O ZINC000124790601 395901605 /nfs/dbraw/zinc/90/16/05/395901605.db2.gz IEDGQLDDDFJPCC-UHFFFAOYSA-N -1 0 314.319 0.353 10 0 DCAERM COCCN(CCOC)C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000128405605 395918024 /nfs/dbraw/zinc/91/80/24/395918024.db2.gz SYEQGKYEWJLBDQ-RYUDHWBXSA-N -1 0 302.371 0.886 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000129747962 395921220 /nfs/dbraw/zinc/92/12/20/395921220.db2.gz LGSNMBREUDYFMS-JTQLQIEISA-N -1 0 321.376 0.746 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)c2cncc(F)c2)C(=O)[O-])cn1 ZINC000130814830 395923344 /nfs/dbraw/zinc/92/33/44/395923344.db2.gz CIOCDHHGVZQDOL-SNVBAGLBSA-N -1 0 314.298 0.058 10 0 DCAERM COC[C@@H](C)c1nc([O-])c(I)c(=O)[n-]1 ZINC000132185789 395926432 /nfs/dbraw/zinc/92/64/32/395926432.db2.gz DFXIDBMIWLCBIW-SCSAIBSYSA-N -1 0 310.091 0.830 10 0 DCAERM C[C@@H]1SCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1C ZINC000132350917 395926505 /nfs/dbraw/zinc/92/65/05/395926505.db2.gz OEFDQOAJUWRTPZ-BQBZGAKWSA-N -1 0 305.381 0.622 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H]1C(=O)[O-] ZINC000227866982 395869767 /nfs/dbraw/zinc/86/97/67/395869767.db2.gz YTDNUWIQPXFYMY-SVRRBLITSA-N -1 0 307.759 0.557 10 0 DCAERM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(Cl)cnn1C ZINC000227865475 395869959 /nfs/dbraw/zinc/86/99/59/395869959.db2.gz BBIMZSHFYYQRRG-MRVPVSSYSA-N -1 0 309.775 0.851 10 0 DCAERM CC[C@@](C)(CNS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000227865802 395870011 /nfs/dbraw/zinc/87/00/11/395870011.db2.gz OZARZSAZAPYGRW-JTQLQIEISA-N -1 0 309.775 0.853 10 0 DCAERM CN(C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000165403180 396088140 /nfs/dbraw/zinc/08/81/40/396088140.db2.gz MARCSFILTYJASG-BREBYQMCSA-N -1 0 318.395 0.458 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070555851 396102631 /nfs/dbraw/zinc/10/26/31/396102631.db2.gz XWPVXKSAHOCPFP-VHSXEESVSA-N -1 0 301.368 0.948 10 0 DCAERM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000262375242 396131586 /nfs/dbraw/zinc/13/15/86/396131586.db2.gz XYWUKCLXEWDYLP-AWEZNQCLSA-N -1 0 321.358 0.924 10 0 DCAERM O=C(N[C@H]1CCCn2ncnc21)c1nc2ccccc2c(=O)[nH]1 ZINC000176835301 396161620 /nfs/dbraw/zinc/16/16/20/396161620.db2.gz STDOZNYWGHSDLJ-NSHDSACASA-N -1 0 310.317 0.780 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262721802 396175841 /nfs/dbraw/zinc/17/58/41/396175841.db2.gz QDMPEVZMEVOOAD-IVZWLZJFSA-N -1 0 300.380 0.667 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000185694574 396333336 /nfs/dbraw/zinc/33/33/36/396333336.db2.gz CAWYYVLYULDBBJ-UHFFFAOYSA-N -1 0 306.347 0.945 10 0 DCAERM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000192033100 396428737 /nfs/dbraw/zinc/42/87/37/396428737.db2.gz OIAWIQSQDIGZDL-NWDGAFQWSA-N -1 0 316.423 0.785 10 0 DCAERM O=C([O-])Cc1ccc(S(=O)(=O)NC[C@@H]2[C@H]3COC[C@H]32)s1 ZINC000375588346 396775958 /nfs/dbraw/zinc/77/59/58/396775958.db2.gz RSHMFBPONWOYPK-OWUUHHOZSA-N -1 0 317.388 0.546 10 0 DCAERM COCCc1nsc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000376462619 396934034 /nfs/dbraw/zinc/93/40/34/396934034.db2.gz PZIHEJWJMACIME-MRVPVSSYSA-N -1 0 310.383 0.935 10 0 DCAERM O=C([O-])[C@@H]1CSCCN1C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000630495869 397032208 /nfs/dbraw/zinc/03/22/08/397032208.db2.gz XTUSCQOPHVOBAB-OUAUKWLOSA-N -1 0 300.380 0.766 10 0 DCAERM C[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC000384920419 397282800 /nfs/dbraw/zinc/28/28/00/397282800.db2.gz PHZDBBNLIHYITA-DBIOUOCHSA-N -1 0 306.384 0.183 10 0 DCAERM C[C@@H]1C[C@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000386847345 397290969 /nfs/dbraw/zinc/29/09/69/397290969.db2.gz XJMOIFZLFZXXDL-HTQZYQBOSA-N -1 0 303.340 0.201 10 0 DCAERM CC[C@H](C)C[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000400379377 397319621 /nfs/dbraw/zinc/31/96/21/397319621.db2.gz KGVZBMYPFXBKPW-DCAQKATOSA-N -1 0 305.396 0.959 10 0 DCAERM C[C@]1(C(=O)NCc2nnn[n-]2)CCCN1C(=O)c1ccccc1 ZINC000604867735 397656138 /nfs/dbraw/zinc/65/61/38/397656138.db2.gz HFDAHPRRXBOZIJ-OAHLLOKOSA-N -1 0 314.349 0.511 10 0 DCAERM O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1c(F)cccc1F ZINC000113298502 158146787 /nfs/dbraw/zinc/14/67/87/158146787.db2.gz ZFXRYLCGLUQXDB-MRVPVSSYSA-N -1 0 314.317 0.850 10 0 DCAERM C[C@@](O)(CNC(=O)c1ccc(F)cc1[O-])CN1CCOCC1 ZINC000124013067 158236393 /nfs/dbraw/zinc/23/63/93/158236393.db2.gz ZREMFMRUOCCBLA-OAHLLOKOSA-N -1 0 312.341 0.344 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000261611811 158722468 /nfs/dbraw/zinc/72/24/68/158722468.db2.gz DZBMJUPGFLUKRO-NRUUGDAUSA-N -1 0 307.302 0.527 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000263210425 158861821 /nfs/dbraw/zinc/86/18/21/158861821.db2.gz YWUGVXRGXMVWIN-ZJUUUORDSA-N -1 0 301.306 0.958 10 0 DCAERM O=C(CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)NCC1CC1 ZINC000263212867 158862086 /nfs/dbraw/zinc/86/20/86/158862086.db2.gz JBYNUEILDHJSDC-XHDPSFHLSA-N -1 0 309.366 0.409 10 0 DCAERM O=C(Cn1cnc2ccccc2c1=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263340710 158873931 /nfs/dbraw/zinc/87/39/31/158873931.db2.gz RVQOOVTUOJEWNF-AOOOYVTPSA-N -1 0 301.302 0.376 10 0 DCAERM C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000408221660 160062899 /nfs/dbraw/zinc/06/28/99/160062899.db2.gz JWFJAGASHYASOM-MGPLVRAMSA-N -1 0 323.393 0.793 10 0 DCAERM CN1C(=O)CCc2cc(C(=O)[N-]S(=O)(=O)C3COC3)ccc21 ZINC000408475492 160116205 /nfs/dbraw/zinc/11/62/05/160116205.db2.gz FHLZTAYYMMOTJL-UHFFFAOYSA-N -1 0 324.358 0.054 10 0 DCAERM Cc1cc2c(cc1C)[C@@H](C(=O)[N-]S(=O)(=O)C1COC1)CO2 ZINC000408475957 160116291 /nfs/dbraw/zinc/11/62/91/160116291.db2.gz IONFUVUBNVYBEB-LBPRGKRZSA-N -1 0 311.359 0.624 10 0 DCAERM Cc1nn(C(C)C)c(C)c1CC(=O)[N-]S(=O)(=O)C1COC1 ZINC000408477937 160117084 /nfs/dbraw/zinc/11/70/84/160117084.db2.gz BNNBFTOZSLQTQX-UHFFFAOYSA-N -1 0 315.395 0.468 10 0 DCAERM O=C([N-]S(=O)(=O)c1ncccc1F)[C@H]1CCCOCC1 ZINC000408478303 160117088 /nfs/dbraw/zinc/11/70/88/160117088.db2.gz CILPQDHSDWHCAD-VIFPVBQESA-N -1 0 302.327 0.842 10 0 DCAERM CC(C)[C@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408483027 160117811 /nfs/dbraw/zinc/11/78/11/160117811.db2.gz JGYFCLWPLHZYLQ-GXSJLCMTSA-N -1 0 301.368 0.286 10 0 DCAERM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)O1 ZINC000408488233 160118964 /nfs/dbraw/zinc/11/89/64/160118964.db2.gz XPUMAUCOQVPWJM-TVQRCGJNSA-N -1 0 311.359 0.994 10 0 DCAERM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)c2C1 ZINC000408497815 160119570 /nfs/dbraw/zinc/11/95/70/160119570.db2.gz JYCPWXUKWMFXQM-UWVGGRQHSA-N -1 0 313.379 0.314 10 0 DCAERM Cc1cc(C(=O)[N-]S(=O)(=O)c2nc(C)c(C)s2)nn1C ZINC000408499327 160119661 /nfs/dbraw/zinc/11/96/61/160119661.db2.gz ODPFHSPZQWBVFV-UHFFFAOYSA-N -1 0 314.392 0.921 10 0 DCAERM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cn(C)cn3)c2C1 ZINC000408502931 160120551 /nfs/dbraw/zinc/12/05/51/160120551.db2.gz UPJIEONNLSSDGL-SECBINFHSA-N -1 0 323.378 0.318 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408505616 160120602 /nfs/dbraw/zinc/12/06/02/160120602.db2.gz XNVZUGUEZLTWPO-QWRGUYRKSA-N -1 0 315.395 0.739 10 0 DCAERM CC[C@H](CNS(=O)(=O)c1c(C)nn(C)c1C)CC(=O)[O-] ZINC000147354426 287030232 /nfs/dbraw/zinc/03/02/32/287030232.db2.gz VVAAQFDHKCUBDQ-JTQLQIEISA-N -1 0 303.384 0.816 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC000253161288 287121030 /nfs/dbraw/zinc/12/10/30/287121030.db2.gz UOPDKDVZRJORRH-ZJUUUORDSA-N -1 0 301.368 0.777 10 0 DCAERM CC[C@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000040544360 415198601 /nfs/dbraw/zinc/19/86/01/415198601.db2.gz PYSOYVGMFCDKML-VIFPVBQESA-N -1 0 301.324 0.319 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)n1 ZINC000333184770 415579332 /nfs/dbraw/zinc/57/93/32/415579332.db2.gz QOPQVNPAOOZHML-ZETCQYMHSA-N -1 0 312.355 0.708 10 0 DCAERM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cccc(O)c2)s1 ZINC000357347453 416065728 /nfs/dbraw/zinc/06/57/28/416065728.db2.gz OMMZLXPWNAYMLA-UHFFFAOYSA-N -1 0 314.348 0.868 10 0 DCAERM O=C([O-])CC[C@@H]1CCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000313244799 416107341 /nfs/dbraw/zinc/10/73/41/416107341.db2.gz WDPGGFRUAQAYSN-JTQLQIEISA-N -1 0 304.368 0.166 10 0 DCAERM Cc1cc(S(=O)(=O)NC2COCCOC2)sc1C(=O)[O-] ZINC000313202760 416108183 /nfs/dbraw/zinc/10/81/83/416108183.db2.gz OJIVWVKLBGQMIQ-UHFFFAOYSA-N -1 0 321.376 0.448 10 0 DCAERM C[C@@H](NC(=O)c1ccccc1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000359525364 416349749 /nfs/dbraw/zinc/34/97/49/416349749.db2.gz RABPXTPZWAKFMX-SNVBAGLBSA-N -1 0 317.349 0.378 10 0 DCAERM CCCc1nc(=N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)s[n-]1 ZINC000360047055 416368096 /nfs/dbraw/zinc/36/80/96/416368096.db2.gz JAWQKDLVKVMJIF-BDAKNGLRSA-N -1 0 314.411 0.781 10 0 DCAERM C[C@H]1CC[C@H](CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)O1 ZINC000439151732 416608748 /nfs/dbraw/zinc/60/87/48/416608748.db2.gz KUOJNBJCKULLJJ-JGVFFNPUSA-N -1 0 302.356 0.494 10 0 DCAERM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)CCCO)c1 ZINC000442999772 416724266 /nfs/dbraw/zinc/72/42/66/416724266.db2.gz HZRHIJGENGMGER-UHFFFAOYSA-N -1 0 316.379 0.097 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCOC[C@H](c2nnn[n-]2)C1 ZINC000616592077 417083759 /nfs/dbraw/zinc/08/37/59/417083759.db2.gz BQFKFGXZOKVSFS-SNVBAGLBSA-N -1 0 309.351 0.004 10 0 DCAERM C[C@@](O)(CNC(=O)c1nscc1Br)C(=O)[O-] ZINC000404955651 417120121 /nfs/dbraw/zinc/12/01/21/417120121.db2.gz ROXIDXHQSCSBNU-MRVPVSSYSA-N -1 0 309.141 0.471 10 0 DCAERM CCc1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1O ZINC000531431961 417621554 /nfs/dbraw/zinc/62/15/54/417621554.db2.gz DCEXYIBMWQUWJO-UHFFFAOYSA-N -1 0 310.335 0.729 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1cnc([C@H]2CCCO2)s1 ZINC000357057581 271039732 /nfs/dbraw/zinc/03/97/32/271039732.db2.gz ZFUJEUGBYUAEOS-SSDOTTSWSA-N -1 0 306.351 0.927 10 0 DCAERM CC(=O)[C@@H]1C[C@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1(C)C ZINC000547745120 288075184 /nfs/dbraw/zinc/07/51/84/288075184.db2.gz WUQIWFUMEQDHJU-JGVFFNPUSA-N -1 0 314.367 0.398 10 0 DCAERM CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N1CCC[C@H]1C ZINC000548230396 288123108 /nfs/dbraw/zinc/12/31/08/288123108.db2.gz VUFHXDGSLABPNB-VXGBXAGGSA-N -1 0 322.427 0.775 10 0 DCAERM CCCSC[C@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-] ZINC000548248036 288124938 /nfs/dbraw/zinc/12/49/38/288124938.db2.gz HDPLKXDTWUUWIZ-ZJUUUORDSA-N -1 0 310.441 0.902 10 0 DCAERM COCCCS(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-] ZINC000548548944 288153166 /nfs/dbraw/zinc/15/31/66/288153166.db2.gz NUMIPBBDXHVWTH-GFCCVEGCSA-N -1 0 316.379 0.281 10 0 DCAERM CCc1nc(CNS(=O)(=O)c2c[nH]c(C)n2)ccc1C(=O)[O-] ZINC000548549833 288153233 /nfs/dbraw/zinc/15/32/33/288153233.db2.gz QZANIVNCQNPVNF-UHFFFAOYSA-N -1 0 324.362 0.852 10 0 DCAERM CCCc1nc(=NC(=O)N[C@H]2CCc3ncnn3C2)s[n-]1 ZINC000551053474 288222590 /nfs/dbraw/zinc/22/25/90/288222590.db2.gz UXAWNWQKRSKILT-QMMMGPOBSA-N -1 0 307.383 0.641 10 0 DCAERM CN(C)c1cc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)ccn1 ZINC000551932357 288246654 /nfs/dbraw/zinc/24/66/54/288246654.db2.gz WKWBRKDHKDFODS-UHFFFAOYSA-N -1 0 316.365 0.991 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC000261600582 293863500 /nfs/dbraw/zinc/86/35/00/293863500.db2.gz BNMUYXBVWZGGKI-MNOVXSKESA-N -1 0 307.306 0.491 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@]2(C)C(=O)[O-])C[C@@H](C)O1 ZINC000132870214 297047247 /nfs/dbraw/zinc/04/72/47/297047247.db2.gz NLRCOTRKVUKSSX-WZRBSPASSA-N -1 0 320.411 0.670 10 0 DCAERM Cc1c(S(=O)(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cnn1C ZINC000570211931 332726297 /nfs/dbraw/zinc/72/62/97/332726297.db2.gz KNBUGDOWAGTCLX-PSASIEDQSA-N -1 0 301.368 0.460 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)C[C@@H](C)O1 ZINC000399194746 337314199 /nfs/dbraw/zinc/31/41/99/337314199.db2.gz IOKBMBWSWRIVMY-FXPVBKGRSA-N -1 0 306.384 0.183 10 0 DCAERM CSCC[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-] ZINC000021506479 337334627 /nfs/dbraw/zinc/33/46/27/337334627.db2.gz VIXYHVSWZQBGLA-NXEZZACHSA-N -1 0 310.441 0.759 10 0 DCAERM CCC[C@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC000263197187 521099642 /nfs/dbraw/zinc/09/96/42/521099642.db2.gz NEHMZILLFWYUEG-SNVBAGLBSA-N -1 0 305.334 0.947 10 0 DCAERM Cc1ccc(S([O-])=CC(=O)N2CCC[C@H](C(N)=O)C2)nc1 ZINC000157099079 526089412 /nfs/dbraw/zinc/08/94/12/526089412.db2.gz WNBZBMRYSPEKAY-WIUDPPPLSA-N -1 0 309.391 0.222 10 0 DCAERM O=C([O-])C1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000238022882 527563283 /nfs/dbraw/zinc/56/32/83/527563283.db2.gz YIGMYVWNGNGZTR-UHFFFAOYSA-N -1 0 318.333 0.209 10 0 DCAERM C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000149331485 545811109 /nfs/dbraw/zinc/81/11/09/545811109.db2.gz QWBQRPVSXNXZHG-CABZTGNLSA-N -1 0 315.347 0.606 10 0 DCAERM C[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H](C(=O)[O-])O1 ZINC000262245589 545982049 /nfs/dbraw/zinc/98/20/49/545982049.db2.gz RBADKICSRWKYHZ-BXUZGUMPSA-N -1 0 304.346 0.750 10 0 DCAERM Cc1cc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])N2C2CC2)nc(C)n1 ZINC000888101894 661180836 /nfs/dbraw/zinc/18/08/36/661180836.db2.gz QVTQDMKXSAPLNN-ZIAGYGMSSA-N -1 0 318.377 0.790 10 0 DCAERM CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H]1CCCOC1 ZINC000723746250 657491828 /nfs/dbraw/zinc/49/18/28/657491828.db2.gz LPRXFVBDGFRTET-MNOVXSKESA-N -1 0 308.400 0.433 10 0 DCAERM CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000724191073 658043262 /nfs/dbraw/zinc/04/32/62/658043262.db2.gz CDXILQUYOPTCGS-GARJFASQSA-N -1 0 306.384 0.137 10 0 DCAERM Cc1ccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)s1 ZINC000176832910 658086939 /nfs/dbraw/zinc/08/69/39/658086939.db2.gz VTLAYIVBPNQPNH-UHFFFAOYSA-N -1 0 304.393 0.292 10 0 DCAERM CCS(=O)(=O)CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262048881 661995250 /nfs/dbraw/zinc/99/52/50/661995250.db2.gz FGQMQHSMNCQISK-GFCCVEGCSA-N -1 0 313.375 0.481 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262109262 662074875 /nfs/dbraw/zinc/07/48/75/662074875.db2.gz GRHQWSNNTIXDIA-JTQLQIEISA-N -1 0 317.345 0.846 10 0 DCAERM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000262117777 662084245 /nfs/dbraw/zinc/08/42/45/662084245.db2.gz KKODUFIBPJDRIK-AWEZNQCLSA-N -1 0 301.306 0.742 10 0 DCAERM CC(C)[C@H](C(=O)N[C@@H](C)CCC(=O)[O-])N1CCCS1(=O)=O ZINC000262227912 662178560 /nfs/dbraw/zinc/17/85/60/662178560.db2.gz RYLAORBVHXVGBA-CMPLNLGQSA-N -1 0 320.411 0.416 10 0 DCAERM C[C@H](O)[C@H](NS(=O)(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000163220219 662395063 /nfs/dbraw/zinc/39/50/63/662395063.db2.gz SXKLTGKUIAYIKH-UFBFGSQYSA-N -1 0 310.331 0.347 10 0 DCAERM CC[N@H+](CC(=O)[O-])C1CC(NC(=O)C(F)(F)C(F)F)C1 ZINC000262765269 662571729 /nfs/dbraw/zinc/57/17/29/662571729.db2.gz GHAXHIGLBGCNDP-UHFFFAOYSA-N -1 0 300.252 0.941 10 0 DCAERM Cc1nonc1CN1CCN(C(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC000222319146 664373675 /nfs/dbraw/zinc/37/36/75/664373675.db2.gz ODLJAJACVYAOHQ-JTQLQIEISA-N -1 0 310.354 0.523 10 0 DCAERM C[C@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)C1CCOCC1 ZINC000165764542 664427342 /nfs/dbraw/zinc/42/73/42/664427342.db2.gz ADMLOJUCTBDDNN-NSHDSACASA-N -1 0 304.412 0.896 10 0 DCAERM CC(=O)c1cnc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)s1 ZINC000736152737 667110927 /nfs/dbraw/zinc/11/09/27/667110927.db2.gz MHGDDSWQUGVQBH-UHFFFAOYSA-N -1 0 318.318 0.369 10 0 DCAERM Cn1ncc(Br)c1CNC(=O)C(C)(C)C(=O)[O-] ZINC000710530933 667445681 /nfs/dbraw/zinc/44/56/81/667445681.db2.gz HCMWPZXZXLNGID-UHFFFAOYSA-N -1 0 304.144 0.910 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000124538893 668085439 /nfs/dbraw/zinc/08/54/39/668085439.db2.gz HZGCNRXZEHQIQX-GFCCVEGCSA-N -1 0 303.428 0.708 10 0 DCAERM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000125837147 668430523 /nfs/dbraw/zinc/43/05/23/668430523.db2.gz CFJAXEYOFIZOQU-UHFFFAOYSA-N -1 0 300.384 0.536 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NCC[C@@H](C)C(=O)[O-] ZINC000128890923 669313247 /nfs/dbraw/zinc/31/32/47/669313247.db2.gz BSGGGNOYQKEKLC-SSDOTTSWSA-N -1 0 321.376 0.924 10 0 DCAERM NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000131818901 669686401 /nfs/dbraw/zinc/68/64/01/669686401.db2.gz ACVUDCZOYLINFI-NXEZZACHSA-N -1 0 314.345 0.697 10 0 DCAERM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@H]1CNC(=O)C1 ZINC000132687647 669740093 /nfs/dbraw/zinc/74/00/93/669740093.db2.gz URARQNRQHQUUGS-SSDOTTSWSA-N -1 0 318.301 0.047 10 0 DCAERM O=C([O-])[C@@H](NC(=O)Cn1cnnn1)c1ccc2ccccc2c1 ZINC000191478860 670035557 /nfs/dbraw/zinc/03/55/57/670035557.db2.gz VTQKDLKURGBGIK-AWEZNQCLSA-N -1 0 311.301 0.768 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@@H]2CCCS2)C1 ZINC000715915030 670225483 /nfs/dbraw/zinc/22/54/83/670225483.db2.gz FEDHMVSOKKGKRA-QWRGUYRKSA-N -1 0 322.452 0.903 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@]2(CCS(=O)(=O)C2)C1 ZINC000757184519 670358699 /nfs/dbraw/zinc/35/86/99/670358699.db2.gz LAYNSDHZPKDYTO-NOZJJQNGSA-N -1 0 319.379 0.743 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CNC(=O)C1 ZINC000195289215 670479376 /nfs/dbraw/zinc/47/93/76/670479376.db2.gz VIPPBCBBTJCCEV-ZCFIWIBFSA-N -1 0 320.729 0.420 10 0 DCAERM CCOCCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCC2 ZINC000111982116 670531584 /nfs/dbraw/zinc/53/15/84/670531584.db2.gz OTZJSMSDNCYSMW-UHFFFAOYSA-N -1 0 301.368 0.385 10 0 DCAERM NC(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000037406230 672064928 /nfs/dbraw/zinc/06/49/28/672064928.db2.gz XJRLMBCSHRCNKA-FBOQAHMBSA-N -1 0 312.347 0.295 10 0 DCAERM COCCn1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)n1 ZINC000190639893 685154100 /nfs/dbraw/zinc/15/41/00/685154100.db2.gz LKSTYRLNZGGGIJ-UHFFFAOYSA-N -1 0 323.374 0.789 10 0 DCAERM Cc1ccc(F)cc1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386463885 685248946 /nfs/dbraw/zinc/24/89/46/685248946.db2.gz NUCURUHQSFOCKX-GFCCVEGCSA-N -1 0 303.311 0.344 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H]2COc3ccccc3O2)C1 ZINC000261611807 1184464791 /nfs/dbraw/zinc/46/47/91/1184464791.db2.gz DZBMJUPGFLUKRO-GIPNMCIBSA-N -1 0 307.302 0.527 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc(-n3cncn3)c2)C1 ZINC000262075956 1185160681 /nfs/dbraw/zinc/16/06/81/1185160681.db2.gz ADSFADFOOPFXHH-STQMWFEESA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000262075810 1185160846 /nfs/dbraw/zinc/16/08/46/1185160846.db2.gz AAOHXSAHBCKSHP-NXEZZACHSA-N -1 0 300.355 0.239 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCOC[C@H]2CCCO2)C1 ZINC000262075897 1185160932 /nfs/dbraw/zinc/16/09/32/1185160932.db2.gz ACOANLAZVPDALC-IJLUTSLNSA-N -1 0 301.339 0.273 10 0 DCAERM CO[C@@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1)C(=O)[O-] ZINC000262937141 1185173748 /nfs/dbraw/zinc/17/37/48/1185173748.db2.gz YTDMWVFMUNAPHK-KBPBESRZSA-N -1 0 322.361 0.778 10 0 DCAERM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263560540 1185179125 /nfs/dbraw/zinc/17/91/25/1185179125.db2.gz REGQUPWUVLNNME-GARJFASQSA-N -1 0 321.395 0.747 10 0 DCAERM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1O ZINC000269757326 1186038523 /nfs/dbraw/zinc/03/85/23/1186038523.db2.gz BRLKBKYTUHHXEV-WPRPVWTQSA-N -1 0 304.299 0.926 10 0 DCAERM CN(CC1=CCCOC1)S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000696924987 804066485 /nfs/dbraw/zinc/06/64/85/804066485.db2.gz PETXCFLENYJCIT-RYUDHWBXSA-N -1 0 303.380 0.848 10 0 DCAERM O=C([O-])COCC(=O)NCc1ccncc1Br ZINC000686560213 954612352 /nfs/dbraw/zinc/61/23/52/954612352.db2.gz ATERHQDZDURYDG-UHFFFAOYSA-N -1 0 303.112 0.562 10 0 DCAERM C[S@](=O)C1(CNC(=O)C2(C(=O)[O-])CCOCC2)CCC1 ZINC000689320996 954654535 /nfs/dbraw/zinc/65/45/35/954654535.db2.gz VSHOZHBBEQLFJE-FQEVSTJZSA-N -1 0 303.380 0.285 10 0 DCAERM COCCN(CC(=O)[O-])C(=O)c1c(Br)cnn1C ZINC000693043319 954723882 /nfs/dbraw/zinc/72/38/82/954723882.db2.gz XACLWRUQVRYLIM-UHFFFAOYSA-N -1 0 320.143 0.356 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000688053976 976164119 /nfs/dbraw/zinc/16/41/19/976164119.db2.gz TZBDBARFYDDZRW-VROVMSAKSA-N -1 0 302.352 0.350 10 0 DCAERM C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000688097702 976169292 /nfs/dbraw/zinc/16/92/92/976169292.db2.gz YPNFCMNEYVROIW-LDYMZIIASA-N -1 0 302.352 0.637 10 0 DCAERM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCO)CC1CC1 ZINC000688368899 976176296 /nfs/dbraw/zinc/17/62/96/976176296.db2.gz HAJMRBAHASYPIV-UHFFFAOYSA-N -1 0 303.336 0.679 10 0 DCAERM Cc1oc(C(=O)[O-])cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000689112887 976225855 /nfs/dbraw/zinc/22/58/55/976225855.db2.gz ZUELNDBAGJIAQF-ZETCQYMHSA-N -1 0 301.320 0.545 10 0 DCAERM CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694172597 976674976 /nfs/dbraw/zinc/67/49/76/976674976.db2.gz HVXLMFYKKWLNMC-SCZZXKLOSA-N -1 0 303.336 0.759 10 0 DCAERM O=C([O-])Cc1csc(NC(=O)[C@H]2CCCS2(=O)=O)n1 ZINC000694632557 976705487 /nfs/dbraw/zinc/70/54/87/976705487.db2.gz CMTSDRZXBVIYQE-SSDOTTSWSA-N -1 0 304.349 0.286 10 0 DCAERM COC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000696511689 976816664 /nfs/dbraw/zinc/81/66/64/976816664.db2.gz PSZLWBOTHXEONP-JTQLQIEISA-N -1 0 300.336 0.579 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C)nn2C)cc1 ZINC000185833443 529944177 /nfs/dbraw/zinc/94/41/77/529944177.db2.gz XIINQBUTIRUROF-UHFFFAOYSA-N -1 0 309.351 0.284 10 0 DCAERM CCCC(=O)NCC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000236712906 201977093 /nfs/dbraw/zinc/97/70/93/201977093.db2.gz INXZCGFCQZPVQN-ZDUSSCGKSA-N -1 0 306.362 0.962 10 0 DCAERM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1 ZINC000071754648 191024623 /nfs/dbraw/zinc/02/46/23/191024623.db2.gz XWATUFCRKYOGHV-SNVBAGLBSA-N -1 0 304.755 0.387 10 0 DCAERM Nc1nc2c(cc1C(=O)[O-])c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000072417088 191155625 /nfs/dbraw/zinc/15/56/25/191155625.db2.gz JUMGJBBCNGGELT-UHFFFAOYSA-N -1 0 312.285 0.826 10 0 DCAERM CSCC[C@@H](NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000003874399 181050458 /nfs/dbraw/zinc/05/04/58/181050458.db2.gz VZQJQFGSAAGNSI-OLZOCXBDSA-N -1 0 324.402 0.666 10 0 in-vitro DCAERM CCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)[O-])c1=O ZINC000073658626 191338150 /nfs/dbraw/zinc/33/81/50/191338150.db2.gz VYMBHWCMPCLABM-UHFFFAOYSA-N -1 0 308.290 0.285 10 0 DCAERM Nc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000006025581 181306777 /nfs/dbraw/zinc/30/67/77/181306777.db2.gz WQPPHBVAEVJIHY-UHFFFAOYSA-N -1 0 320.330 0.781 10 0 DCAERM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000263494006 291389910 /nfs/dbraw/zinc/38/99/10/291389910.db2.gz PZIVGLAVPGYHKN-GMTAPVOTSA-N -1 0 319.379 0.597 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCC(F)(F)F ZINC000214861827 304145476 /nfs/dbraw/zinc/14/54/76/304145476.db2.gz IYCUTUFXJKNTIM-BQBZGAKWSA-N -1 0 305.274 0.179 10 0 DCAERM Cc1cnc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cn1 ZINC000263316275 203455050 /nfs/dbraw/zinc/45/50/50/203455050.db2.gz ZCQLPIXIXSNGQZ-JTQLQIEISA-N -1 0 308.338 0.130 10 0 DCAERM CCc1nnc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)s1 ZINC000096299703 193611948 /nfs/dbraw/zinc/61/19/48/193611948.db2.gz YYNWOELKBPDQTO-YFKPBYRVSA-N -1 0 301.349 0.550 10 0 DCAERM COc1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])cc1 ZINC000020007136 182176782 /nfs/dbraw/zinc/17/67/82/182176782.db2.gz OFFKSXRYOLAESZ-LLVKDONJSA-N -1 0 315.347 0.313 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c(Cl)c1 ZINC000036968617 182857081 /nfs/dbraw/zinc/85/70/81/182857081.db2.gz OMUZZHMOIHLRTO-GMSGAONNSA-N -1 0 307.755 0.761 10 0 DCAERM NC(=S)c1c(F)cccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000037745048 182923051 /nfs/dbraw/zinc/92/30/51/182923051.db2.gz SXZVQYVMGWXQTQ-UHFFFAOYSA-N -1 0 300.340 0.984 10 0 DCAERM CCN(CC(=O)[O-])S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000038017025 182964953 /nfs/dbraw/zinc/96/49/53/182964953.db2.gz PAHHQFUVPRDXBK-UHFFFAOYSA-N -1 0 319.335 0.778 10 0 DCAERM CCOc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000040396383 183060556 /nfs/dbraw/zinc/06/05/56/183060556.db2.gz VWEMBBHDZCRGRV-CABZTGNLSA-N -1 0 315.347 0.294 10 0 DCAERM O=C([O-])[C@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1cccs1 ZINC000092778583 304205593 /nfs/dbraw/zinc/20/55/93/304205593.db2.gz CCYTVYDEXQMGBI-SECBINFHSA-N -1 0 313.360 0.671 10 0 DCAERM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043509539 183368665 /nfs/dbraw/zinc/36/86/65/183368665.db2.gz PRJNQAJNUYLFKJ-ISVAXAHUSA-N -1 0 302.396 0.614 10 0 DCAERM C[C@H](O)[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000061860216 184190210 /nfs/dbraw/zinc/19/02/10/184190210.db2.gz APXMRKIMMJXUDS-YLWLKBPMSA-N -1 0 303.112 0.408 10 0 DCAERM O=C([O-])c1cccc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000263378285 304262455 /nfs/dbraw/zinc/26/24/55/304262455.db2.gz BYKHVOVYAHPYHE-PWSUYJOCSA-N -1 0 323.324 0.555 10 0 DCAERM O=C([O-])CCc1nc(CN2CCN(c3ccccn3)CC2)no1 ZINC000049453236 134755739 /nfs/dbraw/zinc/75/57/39/134755739.db2.gz JYMLOSRSQYOVPH-UHFFFAOYSA-N -1 0 317.349 0.804 10 0 DCAERM COc1ccc(S(=O)(=O)[N-]c2ccc3nncn3n2)cc1 ZINC000033277219 395717148 /nfs/dbraw/zinc/71/71/48/395717148.db2.gz LHWAPGIUZMEBMF-UHFFFAOYSA-N -1 0 305.319 0.934 10 0 DCAERM Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000037420239 395727202 /nfs/dbraw/zinc/72/72/02/395727202.db2.gz WESYZOIICDOHJN-MRVPVSSYSA-N -1 0 320.754 0.255 10 0 DCAERM CCOC(=O)c1ccc(S(=O)(=O)N(CC)CC(=O)[O-])cc1 ZINC000038016996 395730237 /nfs/dbraw/zinc/73/02/37/395730237.db2.gz ANFONEVOCQIDJP-UHFFFAOYSA-N -1 0 315.347 0.959 10 0 DCAERM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000224410563 395858297 /nfs/dbraw/zinc/85/82/97/395858297.db2.gz CEJQKCHHOBZVKF-UTLUCORTSA-N -1 0 308.425 0.811 10 0 DCAERM CCS(=O)(=O)NCCCNC(=O)c1c([O-])cc(F)cc1F ZINC000051445711 395850337 /nfs/dbraw/zinc/85/03/37/395850337.db2.gz KJNIHVUCQVVUAU-UHFFFAOYSA-N -1 0 322.333 0.730 10 0 DCAERM Cn1nccc1S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000124157306 395899964 /nfs/dbraw/zinc/89/99/64/395899964.db2.gz NXRNXMRGUFWPAE-UHFFFAOYSA-N -1 0 302.337 0.053 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)Cc2ccccc2)C(=O)[O-])cn1 ZINC000130814192 395923268 /nfs/dbraw/zinc/92/32/68/395923268.db2.gz QCZSCBKXQAZFEC-LBPRGKRZSA-N -1 0 309.347 0.665 10 0 DCAERM CC(C)[C@H](CNS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000227865443 395869965 /nfs/dbraw/zinc/86/99/65/395869965.db2.gz BLKUDMYSZRXOIZ-ZETCQYMHSA-N -1 0 309.775 0.709 10 0 DCAERM CCS(=O)(=O)NCCNC(=O)c1c([O-])cc(F)cc1F ZINC000066045004 395999991 /nfs/dbraw/zinc/99/99/91/395999991.db2.gz HPPQMRZESCJTIF-UHFFFAOYSA-N -1 0 308.306 0.340 10 0 DCAERM CC(C)(C)OC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2cccnc2)[C@H]1N ZINC000257353650 396046209 /nfs/dbraw/zinc/04/62/09/396046209.db2.gz SHWYQKSSZUTCAC-IJLUTSLNSA-N -1 0 307.350 0.766 10 0 DCAERM C[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC000262245591 396114633 /nfs/dbraw/zinc/11/46/33/396114633.db2.gz RBADKICSRWKYHZ-RISCZKNCSA-N -1 0 304.346 0.750 10 0 DCAERM O=C([O-])[C@]1(NC(=O)c2cn(-c3ccccc3)nn2)CCSC1 ZINC000261950960 396083376 /nfs/dbraw/zinc/08/33/76/396083376.db2.gz MYBQGVLNUHHMHU-AWEZNQCLSA-N -1 0 318.358 0.957 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000263225021 396206903 /nfs/dbraw/zinc/20/69/03/396206903.db2.gz RJCMJFGMSRSLMG-IVZWLZJFSA-N -1 0 300.380 0.620 10 0 DCAERM O=C([O-])c1ccccc1CC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000262724043 396176047 /nfs/dbraw/zinc/17/60/47/396176047.db2.gz FYHXBYAPYFDEOJ-NSHDSACASA-N -1 0 302.330 0.807 10 0 DCAERM CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000374095410 396638998 /nfs/dbraw/zinc/63/89/98/396638998.db2.gz SGDSCRITJRFVEI-WDMOLILDSA-N -1 0 312.391 0.621 10 0 DCAERM COCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630649320 397070155 /nfs/dbraw/zinc/07/01/55/397070155.db2.gz IQJIQPPURJDYEH-KGLIPLIRSA-N -1 0 306.362 0.867 10 0 DCAERM C[C@H](COCc1ccccc1)NC(=O)NCCOCC(=O)[O-] ZINC000390535345 397302031 /nfs/dbraw/zinc/30/20/31/397302031.db2.gz JXVTWPNALDEDPH-GFCCVEGCSA-N -1 0 310.350 0.992 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CSC[C@@H]2C)C1 ZINC000397820460 397313680 /nfs/dbraw/zinc/31/36/80/397313680.db2.gz UGGGHXCUCXNUFC-KWBADKCTSA-N -1 0 302.396 0.871 10 0 DCAERM C[C@@H](CCS(C)(=O)=O)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000128154184 158278971 /nfs/dbraw/zinc/27/89/71/158278971.db2.gz AINPWYQYINVRCB-VIFPVBQESA-N -1 0 323.374 0.476 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000262583322 158828376 /nfs/dbraw/zinc/82/83/76/158828376.db2.gz GAVDGUCJGBRCHA-PSASIEDQSA-N -1 0 300.380 0.762 10 0 DCAERM CO[C@@H](CNC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)[O-] ZINC000263079051 158854942 /nfs/dbraw/zinc/85/49/42/158854942.db2.gz KTSCTXMOBBRMNY-ZDUSSCGKSA-N -1 0 320.345 0.889 10 0 DCAERM Cc1cnn(C[C@H]2CN(c3cnc(C(=O)[O-])cn3)CCO2)c1 ZINC000263519095 158884800 /nfs/dbraw/zinc/88/48/00/158884800.db2.gz QBJYXBWHHPYCHP-LLVKDONJSA-N -1 0 303.322 0.585 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000263552954 158886631 /nfs/dbraw/zinc/88/66/31/158886631.db2.gz MGEJTLJZQBRFQZ-SYQHCUMBSA-N -1 0 321.373 0.944 10 0 DCAERM COC[C@@H](C)S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000368489667 159397776 /nfs/dbraw/zinc/39/77/76/159397776.db2.gz DUNMEGBOWBILIM-HTQZYQBOSA-N -1 0 301.311 0.393 10 0 DCAERM NC(=O)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)O1 ZINC000408121643 160041276 /nfs/dbraw/zinc/04/12/76/160041276.db2.gz FPQLDZZJDSNDFN-GHMZBOCLSA-N -1 0 318.395 0.046 10 0 DCAERM CC(C)(C[N-]S(=O)(=O)CC(F)(F)F)N1CCOCC1 ZINC000408132648 160044305 /nfs/dbraw/zinc/04/43/05/160044305.db2.gz LABRNTUMSZJDDY-UHFFFAOYSA-N -1 0 304.334 0.579 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)c(C)c1 ZINC000408192275 160056731 /nfs/dbraw/zinc/05/67/31/160056731.db2.gz MJEOMRJBKBSZFU-GFCCVEGCSA-N -1 0 312.391 0.439 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)NCC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC000408238441 160067184 /nfs/dbraw/zinc/06/71/84/160067184.db2.gz XHRHTRDLHALONP-NXEZZACHSA-N -1 0 308.400 0.272 10 0 DCAERM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)CC(F)(F)F)C1 ZINC000408316085 160083381 /nfs/dbraw/zinc/08/33/81/160083381.db2.gz NTRLXEDSVSTNPM-ZETCQYMHSA-N -1 0 303.306 0.272 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408446817 160109869 /nfs/dbraw/zinc/10/98/69/160109869.db2.gz RCQMCXNRTADINY-QWRGUYRKSA-N -1 0 315.395 0.739 10 0 DCAERM C[C@H](C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1)N1CCOCC1 ZINC000408469157 160114483 /nfs/dbraw/zinc/11/44/83/160114483.db2.gz OYZGZCPBTQKMGV-GHMZBOCLSA-N -1 0 310.354 0.202 10 0 DCAERM C[C@@H](OC1CCCCCC1)C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408475419 160116128 /nfs/dbraw/zinc/11/61/28/160116128.db2.gz DWHFJDOGAHUTKX-SNVBAGLBSA-N -1 0 305.396 0.959 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408477479 160117024 /nfs/dbraw/zinc/11/70/24/160117024.db2.gz ASBGXFXJGHQAFL-UTUOFQBUSA-N -1 0 305.396 0.817 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408499803 160119605 /nfs/dbraw/zinc/11/96/05/160119605.db2.gz MOLXFOXHHWQMMM-NSHDSACASA-N -1 0 314.411 0.408 10 0 DCAERM O=C([N-]S(=O)(=O)c1cccnn1)c1noc2c1CCCCC2 ZINC000408495835 160119675 /nfs/dbraw/zinc/11/96/75/160119675.db2.gz GNQADFMHYZHFOV-UHFFFAOYSA-N -1 0 322.346 0.852 10 0 DCAERM O=C(CC[C@@H]1CCC(=O)N1)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408504657 160120274 /nfs/dbraw/zinc/12/02/74/160120274.db2.gz XMWDJGUQYKDCLX-NOOOWODRSA-N -1 0 314.407 0.680 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000262516412 287128393 /nfs/dbraw/zinc/12/83/93/287128393.db2.gz NOQODWOVSFBWFN-AAEUAGOBSA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000020023439 415152753 /nfs/dbraw/zinc/15/27/53/415152753.db2.gz IUCADYVBSGYHIU-GMTAPVOTSA-N -1 0 306.384 0.137 10 0 DCAERM COc1cc(C)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c(C)c1 ZINC000037420582 415190081 /nfs/dbraw/zinc/19/00/81/415190081.db2.gz OQXRRAXLGKLEHL-MWLCHTKSSA-N -1 0 317.363 0.424 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000125336238 415865442 /nfs/dbraw/zinc/86/54/42/415865442.db2.gz XQYNWJFBILHLMZ-QWHCGFSZSA-N -1 0 318.439 0.876 10 0 DCAERM Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cnn(C)c1C ZINC000152607328 415968630 /nfs/dbraw/zinc/96/86/30/415968630.db2.gz NLLNHZFIOTWVJD-UHFFFAOYSA-N -1 0 317.802 0.902 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000357062066 416028830 /nfs/dbraw/zinc/02/88/30/416028830.db2.gz VRWCQUXUPRIXAU-UHFFFAOYSA-N -1 0 323.316 0.781 10 0 DCAERM C[C@@H](CC(=O)NC1(c2nnn[n-]2)CC1)NC(=O)c1ccccc1 ZINC000357076854 416030348 /nfs/dbraw/zinc/03/03/48/416030348.db2.gz RGJDUQWSYZASFD-JTQLQIEISA-N -1 0 314.349 0.514 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000262183450 416336134 /nfs/dbraw/zinc/33/61/34/416336134.db2.gz SKVVRPAPGBADQI-LURJTMIESA-N -1 0 306.365 0.379 10 0 DCAERM CC(C)NS(=O)(=O)CCNC(=O)c1c([O-])cc(F)cc1F ZINC000195267473 416325893 /nfs/dbraw/zinc/32/58/93/416325893.db2.gz WBANELASGXNBPY-UHFFFAOYSA-N -1 0 322.333 0.728 10 0 DCAERM CC[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000367482076 287344213 /nfs/dbraw/zinc/34/42/13/287344213.db2.gz ZVRTYBNWCYJLSI-VHSXEESVSA-N -1 0 304.368 0.022 10 0 DCAERM CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1nnn[n-]1 ZINC000616647358 417088149 /nfs/dbraw/zinc/08/81/49/417088149.db2.gz FSYWOAQZKLPVJK-JTQLQIEISA-N -1 0 312.374 0.488 10 0 DCAERM CC(C)(C)OC(=O)NCCN1CCO[C@H](c2nnn[n-]2)CC1 ZINC000616665417 417089446 /nfs/dbraw/zinc/08/94/46/417089446.db2.gz HVJRMACHCPUGCN-JTQLQIEISA-N -1 0 312.374 0.488 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCOC[C@@H](c2nnn[n-]2)C1 ZINC000616661909 417091225 /nfs/dbraw/zinc/09/12/25/417091225.db2.gz BQFKFGXZOKVSFS-JTQLQIEISA-N -1 0 309.351 0.004 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403785502 417118764 /nfs/dbraw/zinc/11/87/64/417118764.db2.gz HFNNMTJUQLFNDS-WHOHXGKFSA-N -1 0 302.396 0.806 10 0 DCAERM Cc1ccc(F)c(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000449837990 417180154 /nfs/dbraw/zinc/18/01/54/417180154.db2.gz ZYBHJYDQPGOHDB-UHFFFAOYSA-N -1 0 312.326 0.837 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CC2CCC1CC2)[C@@H]1CNC(=O)C1 ZINC000408495978 417167250 /nfs/dbraw/zinc/16/72/50/417167250.db2.gz OWPRJOHMYLCJNZ-TVUZUIDESA-N -1 0 300.380 0.147 10 0 DCAERM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000530155104 417546184 /nfs/dbraw/zinc/54/61/84/417546184.db2.gz WKWLXDHVXAGGMK-RULNZFCNSA-N -1 0 320.392 0.932 10 0 DCAERM CCCCN(CCO)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166136068 545877767 /nfs/dbraw/zinc/87/77/67/545877767.db2.gz OXBVAPQTSBRPOF-UHFFFAOYSA-N -1 0 302.371 0.672 10 0 DCAERM CC[C@@H]1C[C@H](CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCO1 ZINC000359493441 261750179 /nfs/dbraw/zinc/75/01/79/261750179.db2.gz BUWZCEFJDJUIFI-RKDXNWHRSA-N -1 0 316.383 0.742 10 0 DCAERM CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000262257581 278005034 /nfs/dbraw/zinc/00/50/34/278005034.db2.gz QMIAJMDZUTVPCC-DVOMOZLQSA-N -1 0 308.378 0.958 10 0 DCAERM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)c1ccccc1)c1nnn[n-]1 ZINC000548467046 288146589 /nfs/dbraw/zinc/14/65/89/288146589.db2.gz RULICTKTKMKOMK-QWRGUYRKSA-N -1 0 316.365 0.580 10 0 DCAERM CCCc1nc(=NC(=O)NCCN2C(=O)CCC2=O)s[n-]1 ZINC000550668546 288217749 /nfs/dbraw/zinc/21/77/49/288217749.db2.gz BLWBMWQLHQSYGQ-UHFFFAOYSA-N -1 0 311.367 0.183 10 0 DCAERM O=C(Nc1ccccc1)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000555555131 288354805 /nfs/dbraw/zinc/35/48/05/288354805.db2.gz CPXQQOJHGLGCAH-JTQLQIEISA-N -1 0 315.333 0.855 10 0 DCAERM CN1C[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1=O ZINC000237052298 290264889 /nfs/dbraw/zinc/26/48/89/290264889.db2.gz JHDHVSFLOCRJDN-QWHCGFSZSA-N -1 0 302.330 0.503 10 0 DCAERM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408188242 295540412 /nfs/dbraw/zinc/54/04/12/295540412.db2.gz RYADGDSVTSDDMV-ZKYQVNSYSA-N -1 0 324.402 0.901 10 0 DCAERM C[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000135841168 298108756 /nfs/dbraw/zinc/10/87/56/298108756.db2.gz KLVWWNAUWGIIJX-BXKDBHETSA-N -1 0 311.359 0.630 10 0 DCAERM Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(C)s1 ZINC000037414627 301396098 /nfs/dbraw/zinc/39/60/98/301396098.db2.gz UUEUMNKLXIWDFB-RKDXNWHRSA-N -1 0 305.377 0.573 10 0 DCAERM NC(=O)C[C@H](NC(=O)c1cc(C(=O)[O-])co1)C1CCOCC1 ZINC000262400823 303260181 /nfs/dbraw/zinc/26/01/81/303260181.db2.gz UTXGWEAHVHTCER-JTQLQIEISA-N -1 0 310.306 0.378 10 0 DCAERM CC[C@@](C)(CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000211110758 331573579 /nfs/dbraw/zinc/57/35/79/331573579.db2.gz COYLDZHKJDZLRR-UMNHJUIQSA-N -1 0 308.400 0.431 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccs2)C1 ZINC000388714521 333149620 /nfs/dbraw/zinc/14/96/20/333149620.db2.gz GVNBHJXMZYIMFM-NSHDSACASA-N -1 0 305.377 0.860 10 0 DCAERM O=C([O-])[C@H](CF)NC(=O)CCN1C(=O)COc2ccccc21 ZINC000262997144 526302789 /nfs/dbraw/zinc/30/27/89/526302789.db2.gz QUQAEJOVRGBVJD-VIFPVBQESA-N -1 0 310.281 0.341 10 0 DCAERM CC[C@@H](C(=O)[O-])N(C)C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000044616657 545651305 /nfs/dbraw/zinc/65/13/05/545651305.db2.gz FVNRDAZLTYGYCX-NSHDSACASA-N -1 0 320.411 0.370 10 0 DCAERM CCOCCS(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000090941039 545716504 /nfs/dbraw/zinc/71/65/04/545716504.db2.gz DSIBYXISUAKWAP-ZETCQYMHSA-N -1 0 308.381 0.858 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@@H](C)c2nc(C(=O)[O-])cs2)c[nH]1 ZINC000090940960 545716282 /nfs/dbraw/zinc/71/62/82/545716282.db2.gz XNGJPCWXSQITLM-YFKPBYRVSA-N -1 0 316.364 0.912 10 0 DCAERM O=C([O-])COCCNC(=O)NCCc1cc(F)cc(F)c1 ZINC000093230055 545725944 /nfs/dbraw/zinc/72/59/44/545725944.db2.gz GAZBRMMHTZSWMZ-UHFFFAOYSA-N -1 0 302.277 0.908 10 0 DCAERM O=C([O-])[C@]1(NC(=O)c2nscc2Br)CCOC1 ZINC000404882370 546228316 /nfs/dbraw/zinc/22/83/16/546228316.db2.gz CANOUUCKUNMDRD-VIFPVBQESA-N -1 0 321.152 0.879 10 0 DCAERM Cc1ccc(S(=O)(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])cc1 ZINC000170307257 658116133 /nfs/dbraw/zinc/11/61/33/658116133.db2.gz ZCIYGMWUDYTAEU-ZDUSSCGKSA-N -1 0 321.358 0.918 10 0 DCAERM O=C([O-])c1ccoc1S(=O)(=O)N1CC[C@]2(CCOC2)C1 ZINC000723212042 658609606 /nfs/dbraw/zinc/60/96/06/658609606.db2.gz YGDMXTZWYFDMJG-LBPRGKRZSA-N -1 0 301.320 0.779 10 0 DCAERM CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000757175898 658636335 /nfs/dbraw/zinc/63/63/35/658636335.db2.gz NSHWEKLIZXPPRT-SFYZADRCSA-N -1 0 308.356 0.046 10 0 DCAERM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@@]1(C)CCCO1 ZINC000262261289 658910629 /nfs/dbraw/zinc/91/06/29/658910629.db2.gz WUMHMQJHLWNYDO-IAQYHMDHSA-N -1 0 312.366 0.337 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CN2CCCCCC2=O)C1 ZINC000263046015 662621298 /nfs/dbraw/zinc/62/12/98/662621298.db2.gz NOORFVDPNQFJME-VXGBXAGGSA-N -1 0 312.366 0.480 10 0 DCAERM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000729092698 662632086 /nfs/dbraw/zinc/63/20/86/662632086.db2.gz GHRIKWHEYKRGRY-UHFFFAOYSA-N -1 0 305.400 0.604 10 0 DCAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CNC(=O)c2ccccc2)C1 ZINC000263178468 662649254 /nfs/dbraw/zinc/64/92/54/662649254.db2.gz WTPIRWVZIVLPCU-OLZOCXBDSA-N -1 0 320.345 0.507 10 0 DCAERM COC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)C(=O)[O-] ZINC000263382168 662682468 /nfs/dbraw/zinc/68/24/68/662682468.db2.gz BNCADFRILGOTPE-DGCLKSJQSA-N -1 0 320.345 0.564 10 0 DCAERM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cccc2ncccc21 ZINC000163222251 663452496 /nfs/dbraw/zinc/45/24/96/663452496.db2.gz MYHYDDQKDJSYSA-NSHDSACASA-N -1 0 310.331 0.349 10 0 DCAERM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@@H](C)COC ZINC000157725330 664501232 /nfs/dbraw/zinc/50/12/32/664501232.db2.gz FCRJSQQYNDYCDA-VIFPVBQESA-N -1 0 317.411 0.632 10 0 DCAERM COC(C)(C)C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000171700397 664611874 /nfs/dbraw/zinc/61/18/74/664611874.db2.gz YWRDQDILDXXXNC-UHFFFAOYSA-N -1 0 318.420 0.892 10 0 DCAERM CC(C)(C(=O)[N-]S(=O)(=O)N1CCOCC1)c1cccs1 ZINC000175171426 665314790 /nfs/dbraw/zinc/31/47/90/665314790.db2.gz IYLARJYMHURNDB-UHFFFAOYSA-N -1 0 318.420 0.719 10 0 DCAERM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCOCC(C)C ZINC000734089478 666847656 /nfs/dbraw/zinc/84/76/56/666847656.db2.gz LFYSPMMKYMAABQ-UHFFFAOYSA-N -1 0 309.384 0.448 10 0 DCAERM O=C([O-])[C@]1(N2CCN(C(=O)c3cccc(F)c3)CC2)CCOC1 ZINC000886096881 667731298 /nfs/dbraw/zinc/73/12/98/667731298.db2.gz MYGWQKRTZSSJHI-INIZCTEOSA-N -1 0 322.336 0.827 10 0 DCAERM CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1nccs1 ZINC000124395127 667971135 /nfs/dbraw/zinc/97/11/35/667971135.db2.gz ABBQHKDKUIWEST-SECBINFHSA-N -1 0 303.409 0.968 10 0 DCAERM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000131819092 669686871 /nfs/dbraw/zinc/68/68/71/669686871.db2.gz ACVUDCZOYLINFI-ZJUUUORDSA-N -1 0 314.345 0.697 10 0 DCAERM C[C@]1(C(F)(F)F)CN(C(=O)CSCC(=O)[O-])CCO1 ZINC000712776961 670150864 /nfs/dbraw/zinc/15/08/64/670150864.db2.gz XKOIWIMMSRRMIW-SECBINFHSA-N -1 0 301.286 0.984 10 0 DCAERM Cc1ccc(S(=O)(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])s1 ZINC000716216671 670259878 /nfs/dbraw/zinc/25/98/78/670259878.db2.gz XJLJEOOCMZKDPG-WPRPVWTQSA-N -1 0 305.377 0.825 10 0 DCAERM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)C1 ZINC000112762340 670653429 /nfs/dbraw/zinc/65/34/29/670653429.db2.gz CLKLVRPRDMZDRM-LLVKDONJSA-N -1 0 304.412 0.737 10 0 DCAERM Cn1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(Br)n1 ZINC000720653179 685314482 /nfs/dbraw/zinc/31/44/82/685314482.db2.gz WGWIPVXEGKQFJK-RNFRBKRXSA-N -1 0 302.128 0.520 10 0 DCAERM O=C([O-])CSCC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000261627316 1184541733 /nfs/dbraw/zinc/54/17/33/1184541733.db2.gz IUTAZAOUBNLVTN-UHFFFAOYSA-N -1 0 300.311 0.698 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000262075947 1185161220 /nfs/dbraw/zinc/16/12/20/1185161220.db2.gz ADLVUEPEIOHQLS-IUPBHXKESA-N -1 0 323.393 0.916 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000262216112 1185163562 /nfs/dbraw/zinc/16/35/62/1185163562.db2.gz YZEGJIBMTICUJT-WDEREUQCSA-N -1 0 307.302 0.658 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)CCC(C)C)C1 ZINC000262159833 1185164046 /nfs/dbraw/zinc/16/40/46/1185164046.db2.gz OYIIVSBYQCEHBA-WDEREUQCSA-N -1 0 300.355 0.239 10 0 DCAERM COc1ccc(CC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])cc1OC ZINC000262424371 1185168269 /nfs/dbraw/zinc/16/82/69/1185168269.db2.gz FHGRSSVTFWIHOK-NWDGAFQWSA-N -1 0 323.345 0.947 10 0 DCAERM COC[C@@H](NC(=O)c1ccnc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000263059258 1185175540 /nfs/dbraw/zinc/17/55/40/1185175540.db2.gz SNFLGLWSVOHNLY-MRVPVSSYSA-N -1 0 322.239 0.852 10 0 DCAERM CCn1nccc1N1CCC[C@H](NC(=O)[C@H](C)C(=O)[O-])C1=O ZINC000263543355 1185179761 /nfs/dbraw/zinc/17/97/61/1185179761.db2.gz FFAOYJKDGKMMRA-UWVGGRQHSA-N -1 0 308.338 0.235 10 0 DCAERM Cn1ccnc1N1CCC(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000263547909 1185180176 /nfs/dbraw/zinc/18/01/76/1185180176.db2.gz ILWQWTXKJLVLPB-NWDGAFQWSA-N -1 0 320.393 0.862 10 0 DCAERM C/C(=C/CNC(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC000692411899 976453057 /nfs/dbraw/zinc/45/30/57/976453057.db2.gz GWTCZIRJPLNWKH-UTCJRWHESA-N -1 0 302.128 0.943 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CCCCS1 ZINC000689235556 954647877 /nfs/dbraw/zinc/64/78/77/954647877.db2.gz OIWOGBWOUGSCJN-UWVGGRQHSA-N -1 0 308.425 0.656 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCSC[C@H]2CCO)C1 ZINC000689276857 954651705 /nfs/dbraw/zinc/65/17/05/954651705.db2.gz RFUSPSOFAIIIFG-OUAUKWLOSA-N -1 0 302.396 0.749 10 0 DCAERM O=C([O-])[C@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC000697967413 954836325 /nfs/dbraw/zinc/83/63/25/954836325.db2.gz CZFOTIWOKXVGPH-MWLCHTKSSA-N -1 0 303.380 0.428 10 0 DCAERM CO[C@H](C)CN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000688081484 976167174 /nfs/dbraw/zinc/16/71/74/976167174.db2.gz DPBBBXVLIYSJMU-MRVPVSSYSA-N -1 0 306.340 0.807 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000688459816 976180355 /nfs/dbraw/zinc/18/03/55/976180355.db2.gz RIBAAJSYURVPGA-QWRGUYRKSA-N -1 0 305.396 0.771 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCSC[C@H]2CCO)c1 ZINC000689195856 976241982 /nfs/dbraw/zinc/24/19/82/976241982.db2.gz PPQTWBWRAHDASR-SECBINFHSA-N -1 0 321.376 0.466 10 0 DCAERM CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000689235382 976246552 /nfs/dbraw/zinc/24/65/52/976246552.db2.gz YTWUSPOUAHHXTF-KWQFWETISA-N -1 0 302.352 0.494 10 0 DCAERM CN(CCNS(C)(=O)=O)c1nc(Cl)c(C(=O)[O-])s1 ZINC000689741018 976262461 /nfs/dbraw/zinc/26/24/61/976262461.db2.gz ADKAZYBUBZSNOG-UHFFFAOYSA-N -1 0 313.788 0.480 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CO[C@H](C3CC3)C2)o1 ZINC000691319994 976352999 /nfs/dbraw/zinc/35/29/99/976352999.db2.gz YQOIAXVCAMNVOK-WPRPVWTQSA-N -1 0 301.320 0.824 10 0 DCAERM CC(C)[C@@](C)(NS(=O)(=O)c1cc(C(=O)[O-])co1)C(N)=O ZINC000694195125 976679292 /nfs/dbraw/zinc/67/92/92/976679292.db2.gz XYGBLMRXECPNEE-LLVKDONJSA-N -1 0 304.324 0.156 10 0 DCAERM O=C([O-])CSCCNC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000694513678 976696344 /nfs/dbraw/zinc/69/63/44/976696344.db2.gz AVLHZNCPGLZNAM-SECBINFHSA-N -1 0 324.424 0.071 10 0 DCAERM COC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000696511690 976816414 /nfs/dbraw/zinc/81/64/14/976816414.db2.gz PSZLWBOTHXEONP-SNVBAGLBSA-N -1 0 300.336 0.579 10 0 DCAERM CO[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(C(=O)[O-])cs1 ZINC000697287338 976838587 /nfs/dbraw/zinc/83/85/87/976838587.db2.gz RGTZYSRFVMQZBJ-ZJUUUORDSA-N -1 0 305.377 0.348 10 0 DCAERM CCC(CC)(CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000165033162 282119853 /nfs/dbraw/zinc/11/98/53/282119853.db2.gz FTKHTVNJSUWFTL-GHMZBOCLSA-N -1 0 322.427 0.821 10 0 DCAERM CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000237003698 202119133 /nfs/dbraw/zinc/11/91/33/202119133.db2.gz IUANJZAHNNDOCU-ABAIWWIYSA-N -1 0 306.362 0.961 10 0 DCAERM O=C([O-])Cn1cc(CNS(=O)(=O)CC2CCCCC2)nn1 ZINC000167253314 291249083 /nfs/dbraw/zinc/24/90/83/291249083.db2.gz CJPNCHBJLWOQJW-UHFFFAOYSA-N -1 0 316.383 0.362 10 0 DCAERM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC000263467518 291379012 /nfs/dbraw/zinc/37/90/12/291379012.db2.gz GOUSVQPNPQLOAQ-ZJUUUORDSA-N -1 0 307.368 0.453 10 0 DCAERM COCCN(CCOC)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000094555896 193379376 /nfs/dbraw/zinc/37/93/76/193379376.db2.gz SIYUCLBEQCKGLM-UHFFFAOYSA-N -1 0 300.311 0.782 10 0 DCAERM COc1ccc(NC(=O)CS(=O)(=O)CCC(=O)[O-])cc1 ZINC000019954584 182169883 /nfs/dbraw/zinc/16/98/83/182169883.db2.gz BRTWTHXPJXRSCW-UHFFFAOYSA-N -1 0 301.320 0.523 10 0 DCAERM NC(=O)C[C@@H](NC(=O)c1ccccc1Br)C(=O)[O-] ZINC000021969514 182300719 /nfs/dbraw/zinc/30/07/19/182300719.db2.gz YAGCWDMDFGMAMA-MRVPVSSYSA-N -1 0 315.123 0.508 10 0 DCAERM O=C([O-])Cn1c(=O)n(Cc2ccccn2)c(=O)c2ccccc21 ZINC000034301835 182731129 /nfs/dbraw/zinc/73/11/29/182731129.db2.gz CUMHLVTXUSTXCL-UHFFFAOYSA-N -1 0 311.297 0.691 10 0 DCAERM O=C([O-])[C@H]1CC[C@H]1C(=O)NCCc1nnc2n1CCCCC2 ZINC000262103944 304196301 /nfs/dbraw/zinc/19/63/01/304196301.db2.gz MFOQUSRIOXRHGD-MNOVXSKESA-N -1 0 306.366 0.774 10 0 DCAERM CCN(CCC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000038023590 182968736 /nfs/dbraw/zinc/96/87/36/182968736.db2.gz PKWLRKYPQOAVQG-UHFFFAOYSA-N -1 0 313.335 0.342 10 0 DCAERM CCN(CC(=O)OC)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000042527942 183280925 /nfs/dbraw/zinc/28/09/25/183280925.db2.gz HMNDEINULQYKIF-UHFFFAOYSA-N -1 0 307.349 0.630 10 0 DCAERM CSCC[C@@H](NC(N)=O)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038026582 295601347 /nfs/dbraw/zinc/60/13/47/295601347.db2.gz XRDITJNHTTVKOC-NXEZZACHSA-N -1 0 317.411 0.632 10 0 DCAERM C[C@@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC000235312072 296370077 /nfs/dbraw/zinc/37/00/77/296370077.db2.gz BNCFMAUJMKFYSK-FOGDFJRCSA-N -1 0 303.380 0.523 10 0 DCAERM COCCOCC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262519147 533053542 /nfs/dbraw/zinc/05/35/42/533053542.db2.gz DKCJHGDDCFJGQD-MRVPVSSYSA-N -1 0 302.352 0.990 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1F ZINC000013028308 395688300 /nfs/dbraw/zinc/68/83/00/395688300.db2.gz IUHZJUXMCSZDMU-CBAPKCEASA-N -1 0 307.274 0.173 10 0 DCAERM Cc1nc(-c2ccc(C)c(S(=O)(=O)NCC(=O)[O-])c2)no1 ZINC000032918197 395714595 /nfs/dbraw/zinc/71/45/95/395714595.db2.gz KSQLSXCUVNIAEY-UHFFFAOYSA-N -1 0 311.319 0.716 10 0 DCAERM Cc1noc([C@@H]2Cc3[nH]cnc3CN2C(=O)CCC(=O)[O-])n1 ZINC000035442248 395720953 /nfs/dbraw/zinc/72/09/53/395720953.db2.gz DRILKPXQEQVIAX-JTQLQIEISA-N -1 0 305.294 0.592 10 0 DCAERM CN(C[C@H]1CCCOC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000111163437 395802285 /nfs/dbraw/zinc/80/22/85/395802285.db2.gz IIRBSMKJYDTBGE-MRVPVSSYSA-N -1 0 303.340 0.155 10 0 DCAERM NS(=O)(=O)c1cc(C(=O)[O-])c(N2CCOCC2)cc1Cl ZINC000053993737 395892127 /nfs/dbraw/zinc/89/21/27/395892127.db2.gz UDNPVSWTTNQGIW-UHFFFAOYSA-N -1 0 320.754 0.522 10 0 DCAERM C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000230812034 395881255 /nfs/dbraw/zinc/88/12/55/395881255.db2.gz VPRBFUXVZLETQO-NKWVEPMBSA-N -1 0 307.759 0.557 10 0 DCAERM CC(C)[C@@H](CC(=O)[O-])NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000136565475 395947862 /nfs/dbraw/zinc/94/78/62/395947862.db2.gz ONLLJRZUJOAPOE-NXEZZACHSA-N -1 0 306.384 0.314 10 0 DCAERM C[C@H](CO)[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000151876201 395995130 /nfs/dbraw/zinc/99/51/30/395995130.db2.gz QIGCVCVOWKUWEC-BDAKNGLRSA-N -1 0 321.402 0.969 10 0 DCAERM C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000251871536 396017377 /nfs/dbraw/zinc/01/73/77/396017377.db2.gz UAWULSAUOXOYAI-XHNCKOQMSA-N -1 0 322.408 0.073 10 0 DCAERM CCNC(=O)C[N-]S(=O)(=O)[C@H]([C@@H]1CCCO1)C(F)(F)F ZINC000170603694 396094992 /nfs/dbraw/zinc/09/49/92/396094992.db2.gz CBUOLBVFAKSKEX-IONNQARKSA-N -1 0 318.317 0.152 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070556200 396102678 /nfs/dbraw/zinc/10/26/78/396102678.db2.gz KJLWRZMPGQZKAQ-NXEZZACHSA-N -1 0 307.368 0.502 10 0 DCAERM CCOC(=O)c1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1 ZINC000071173282 396110299 /nfs/dbraw/zinc/11/02/99/396110299.db2.gz GRLVSUNODFCVJA-UHFFFAOYSA-N -1 0 313.331 0.568 10 0 DCAERM C[C@H](CCO)Nc1nc[n-]c(=O)c1I ZINC000162152866 396079319 /nfs/dbraw/zinc/07/93/19/396079319.db2.gz VLXPYNHKHIEKRY-RXMQYKEDSA-N -1 0 309.107 0.557 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CNC(=O)CCC(C)C)C1 ZINC000263181782 396205153 /nfs/dbraw/zinc/20/51/53/396205153.db2.gz WZQYXEVJXQDAQX-VXGBXAGGSA-N -1 0 314.382 0.629 10 0 DCAERM Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1C ZINC000262741061 396178095 /nfs/dbraw/zinc/17/80/95/396178095.db2.gz GTNJKBOQNLYIKO-CYBMUJFWSA-N -1 0 320.345 0.345 10 0 DCAERM C[C@@H]1CCCN(C(=O)Cn2cnc3c2ncnc3N)[C@@H]1C(=O)[O-] ZINC000263026281 396198465 /nfs/dbraw/zinc/19/84/65/396198465.db2.gz GFITWMNXNYMVSH-KCJUWKMLSA-N -1 0 318.337 0.120 10 0 DCAERM O=C([O-])CCNC(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000263338938 396214486 /nfs/dbraw/zinc/21/44/86/396214486.db2.gz DYDJGGJVTBQVDS-SWLSCSKDSA-N -1 0 310.325 0.971 10 0 DCAERM NC(=O)CN1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000184496600 396297111 /nfs/dbraw/zinc/29/71/11/396297111.db2.gz HLGYWRGQBQVENR-UHFFFAOYSA-N -1 0 315.732 0.428 10 0 DCAERM C[C@H](O)C(=O)N1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000283384093 396333554 /nfs/dbraw/zinc/33/35/54/396333554.db2.gz KGRYEFYWRKLRFE-LURJTMIESA-N -1 0 319.770 0.167 10 0 DCAERM COCC(=O)NC1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000186320809 396347998 /nfs/dbraw/zinc/34/79/98/396347998.db2.gz BSXFEFTVJAURPU-UHFFFAOYSA-N -1 0 316.716 0.772 10 0 DCAERM CCOC(=O)CCS(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596026725 396709826 /nfs/dbraw/zinc/70/98/26/396709826.db2.gz LVNHSIYMNQHPIM-SNVBAGLBSA-N -1 0 307.368 0.360 10 0 DCAERM CCc1nc(=NC2CCN(c3nccn(C)c3=O)CC2)s[n-]1 ZINC000328620769 396824703 /nfs/dbraw/zinc/82/47/03/396824703.db2.gz ACGUZCFGAPXASH-UHFFFAOYSA-N -1 0 320.422 0.697 10 0 DCAERM Cn1ncc(Cl)c1C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630339704 396987226 /nfs/dbraw/zinc/98/72/26/396987226.db2.gz MCVZRIJLJGIMBQ-GFCCVEGCSA-N -1 0 301.730 0.685 10 0 DCAERM COCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630649322 397069862 /nfs/dbraw/zinc/06/98/62/397069862.db2.gz IQJIQPPURJDYEH-ZIAGYGMSSA-N -1 0 306.362 0.867 10 0 DCAERM C[C@@H](Oc1ccccc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262335645 158799655 /nfs/dbraw/zinc/79/96/55/158799655.db2.gz SYQNFNPMJAFVTO-SNVBAGLBSA-N -1 0 304.306 0.446 10 0 DCAERM CO[C@@H](CNC(=O)CCN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC000263043774 158854628 /nfs/dbraw/zinc/85/46/28/158854628.db2.gz FBOPSRXCGGCEDF-ZDUSSCGKSA-N -1 0 320.345 0.572 10 0 DCAERM C/C=C/C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000263255115 158865879 /nfs/dbraw/zinc/86/58/79/158865879.db2.gz IEOKTVVUWYUXHZ-AHQHDXANSA-N -1 0 322.283 0.933 10 0 DCAERM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000263348835 158873766 /nfs/dbraw/zinc/87/37/66/158873766.db2.gz PGIJYMRRMWFKBB-MNOVXSKESA-N -1 0 305.334 0.381 10 0 DCAERM CS(=O)(=O)CC[C@@H]1CCCCN1c1cnc(C(=O)[O-])cn1 ZINC000263390694 158876491 /nfs/dbraw/zinc/87/64/91/158876491.db2.gz GFEKZWYQTAGDII-JTQLQIEISA-N -1 0 313.379 0.968 10 0 DCAERM Cc1c(S(=O)(=O)N(CC(=O)[O-])C2CCCC2)cnn1C ZINC000291802454 158971172 /nfs/dbraw/zinc/97/11/72/158971172.db2.gz BMHXZWYALGDAML-UHFFFAOYSA-N -1 0 301.368 0.746 10 0 DCAERM COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000370606961 159530639 /nfs/dbraw/zinc/53/06/39/159530639.db2.gz QYQLASCWNCFBIC-LLVKDONJSA-N -1 0 320.411 0.529 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H](C)CC(=O)N2)s1 ZINC000408125658 160042086 /nfs/dbraw/zinc/04/20/86/160042086.db2.gz CSMIRXYKFALIBZ-CBAPKCEASA-N -1 0 316.404 0.776 10 0 DCAERM CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000408215165 160061438 /nfs/dbraw/zinc/06/14/38/160061438.db2.gz QVMQQUXNVLSXRT-MWLCHTKSSA-N -1 0 301.368 0.354 10 0 DCAERM Cc1nc(=NC2CCN(S(=O)(=O)C(C)C)CC2)s[n-]1 ZINC000408436882 160107821 /nfs/dbraw/zinc/10/78/21/160107821.db2.gz KYGUGGVWVOUIEP-UHFFFAOYSA-N -1 0 304.441 0.883 10 0 DCAERM CC(C)[C@H]1CCO[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408446930 160110235 /nfs/dbraw/zinc/11/02/35/160110235.db2.gz SPVQSBBNIXWXPP-JHJVBQTASA-N -1 0 319.423 0.920 10 0 DCAERM Cc1nc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)c(C)s1 ZINC000408451526 160110620 /nfs/dbraw/zinc/11/06/20/160110620.db2.gz MBRJLWQMTUXDMY-UHFFFAOYSA-N -1 0 314.392 0.921 10 0 DCAERM CC(C)[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)C2COC2)CCO1 ZINC000408476027 160116234 /nfs/dbraw/zinc/11/62/34/160116234.db2.gz IZIJIDROISBPSD-PWSUYJOCSA-N -1 0 305.396 0.673 10 0 DCAERM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000408481616 160117596 /nfs/dbraw/zinc/11/75/96/160117596.db2.gz GAOXBMONQUMDTQ-ZJUUUORDSA-N -1 0 315.395 0.782 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)CCCO1 ZINC000408487828 160118888 /nfs/dbraw/zinc/11/88/88/160118888.db2.gz WSLKMSVKFXJDGF-CQSZACIVSA-N -1 0 311.359 0.996 10 0 DCAERM O=C(CC[C@H]1CCC(=O)N1)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408504659 160120427 /nfs/dbraw/zinc/12/04/27/160120427.db2.gz XMWDJGUQYKDCLX-WRWGMCAJSA-N -1 0 314.407 0.680 10 0 DCAERM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000249909860 287118425 /nfs/dbraw/zinc/11/84/25/287118425.db2.gz IICNQUFSKAHQFA-GMTAPVOTSA-N -1 0 308.400 0.526 10 0 DCAERM Nc1nc2c(ncn2CCOC[P@@](=O)([O-])O)c(Cl)n1 ZINC000026184380 415166170 /nfs/dbraw/zinc/16/61/70/415166170.db2.gz MHGJLLIMBHHWOI-UHFFFAOYSA-N -1 0 307.634 0.214 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000122900436 415834958 /nfs/dbraw/zinc/83/49/58/415834958.db2.gz QLPUSCMVBMHQNU-NSHDSACASA-N -1 0 300.384 0.099 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000300296211 416072577 /nfs/dbraw/zinc/07/25/77/416072577.db2.gz BGCIHVGYZGCZOZ-ONGXEEELSA-N -1 0 307.368 0.455 10 0 DCAERM Cn1cc(-c2nc(C(=O)NC3(c4nnn[n-]4)CC3)cs2)cn1 ZINC000357048083 416025398 /nfs/dbraw/zinc/02/53/98/416025398.db2.gz LWOCLHBEHMBOSM-UHFFFAOYSA-N -1 0 316.350 0.476 10 0 DCAERM CCc1nc2ccccc2n1CC(=O)NC1(c2nnn[n-]2)CC1 ZINC000357048020 416025729 /nfs/dbraw/zinc/02/57/29/416025729.db2.gz GGVYRFXYQMHTAM-UHFFFAOYSA-N -1 0 311.349 0.917 10 0 DCAERM CC(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CC2)c(C)nc1C ZINC000357076931 416029604 /nfs/dbraw/zinc/02/96/04/416029604.db2.gz NDDJBNZSMDDNQF-UHFFFAOYSA-N -1 0 300.322 0.833 10 0 DCAERM O=C([O-])C1(CNC(=O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000263497589 416338155 /nfs/dbraw/zinc/33/81/55/416338155.db2.gz YFNCXERCLHJKFY-UHFFFAOYSA-N -1 0 301.306 0.321 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC000584086083 416497974 /nfs/dbraw/zinc/49/79/74/416497974.db2.gz QRXFAVWUBWUTRX-FZMZJTMJSA-N -1 0 309.343 0.984 10 0 DCAERM O=C(COC1CCCCC1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000369292317 416745831 /nfs/dbraw/zinc/74/58/31/416745831.db2.gz DRPHUCKZNDUBSH-OAHLLOKOSA-N -1 0 309.366 0.536 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000518058456 416836786 /nfs/dbraw/zinc/83/67/86/416836786.db2.gz JLTCJKNBCVTVMY-MDZLAQPJSA-N -1 0 318.395 0.139 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCCOC[C@@H]1c1nnn[n-]1 ZINC000616648520 417088692 /nfs/dbraw/zinc/08/86/92/417088692.db2.gz OVGSSNMJZLUKTL-LLVKDONJSA-N -1 0 309.351 0.352 10 0 DCAERM COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H]2C(=O)[O-])c1 ZINC000384579706 417089374 /nfs/dbraw/zinc/08/93/74/417089374.db2.gz VMQPHHYSUDHDGR-SECBINFHSA-N -1 0 301.320 0.551 10 0 DCAERM NS(=O)(=O)N1CCOC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616662609 417091634 /nfs/dbraw/zinc/09/16/34/417091634.db2.gz JOUZUBMFHVEYLJ-VIFPVBQESA-N -1 0 300.336 0.004 10 0 DCAERM CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ccccc1[O-] ZINC000632631620 417202557 /nfs/dbraw/zinc/20/25/57/417202557.db2.gz CTULLJDSTJSMPM-LLVKDONJSA-N -1 0 300.380 0.343 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H]1C(C)C ZINC000408475555 417164394 /nfs/dbraw/zinc/16/43/94/417164394.db2.gz FRKFHSFIPPAUFB-DTWKUNHWSA-N -1 0 317.367 0.431 10 0 DCAERM CC(=O)N1CCC[C@@H]1C(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000633689257 417477926 /nfs/dbraw/zinc/47/79/26/417477926.db2.gz IQEHZMDSRFRJCD-LLVKDONJSA-N -1 0 324.406 0.803 10 0 DCAERM Cn1ncc(Br)c1CNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000634946844 417548900 /nfs/dbraw/zinc/54/89/00/417548900.db2.gz AZATUADQJAKXBL-RQJHMYQMSA-N -1 0 316.155 0.910 10 0 DCAERM CCC(=O)N[C@H]1CCCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000362490520 262040509 /nfs/dbraw/zinc/04/05/09/262040509.db2.gz SRMZYHMTUJDQKB-JTQLQIEISA-N -1 0 305.334 0.911 10 0 DCAERM CCOC(=O)[C@H](C)NC(=O)[C@H](C)N=c1nc(CC)[n-]s1 ZINC000362667820 262058023 /nfs/dbraw/zinc/05/80/23/262058023.db2.gz RNTSIXZZWAOWCV-YUMQZZPRSA-N -1 0 300.384 0.391 10 0 DCAERM O=c1nc(CN2CCN3CCOC[C@@H]3C2)[n-]c2ccsc21 ZINC000363798236 262131115 /nfs/dbraw/zinc/13/11/15/262131115.db2.gz WUHCBPTTWONEJS-JTQLQIEISA-N -1 0 306.391 0.913 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)CC(=O)[O-] ZINC000263116831 277997738 /nfs/dbraw/zinc/99/77/38/277997738.db2.gz QMDWJMIIHSXUQB-NSHDSACASA-N -1 0 306.384 0.124 10 0 DCAERM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000408316509 278352173 /nfs/dbraw/zinc/35/21/73/278352173.db2.gz QUEGKLBCQKQGFY-ZETCQYMHSA-N -1 0 302.318 0.868 10 0 DCAERM O=C([O-])COCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547611632 288062274 /nfs/dbraw/zinc/06/22/74/288062274.db2.gz FRBXSAFVHYETDZ-UHFFFAOYSA-N -1 0 318.307 0.115 10 0 DCAERM COCCCS(=O)(=O)NCc1ccc(C(=O)[O-])c(C)n1 ZINC000548218022 288122241 /nfs/dbraw/zinc/12/22/41/288122241.db2.gz YTQKMRMVHASKML-UHFFFAOYSA-N -1 0 302.352 0.544 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCCC[C@]2(C)C(=O)[O-])C[C@@H](C)O1 ZINC000252810624 297047931 /nfs/dbraw/zinc/04/79/31/297047931.db2.gz NLRCOTRKVUKSSX-NQBHXWOUSA-N -1 0 320.411 0.670 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C[C@H](C)O1 ZINC000263221793 297049113 /nfs/dbraw/zinc/04/91/13/297049113.db2.gz PFEGZTUTZAFVNM-USZNOCQGSA-N -1 0 320.411 0.526 10 0 DCAERM COc1ccccc1N1C[C@@H](C(=O)N[C@H](CF)C(=O)[O-])CC1=O ZINC000262994711 295373890 /nfs/dbraw/zinc/37/38/90/295373890.db2.gz QOZAQARLRXGJHM-VHSXEESVSA-N -1 0 324.308 0.587 10 0 DCAERM C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](CF)C(=O)[O-])C1=O ZINC000262980888 300647154 /nfs/dbraw/zinc/64/71/54/300647154.db2.gz PHHUGHJSYYUNJI-NXEZZACHSA-N -1 0 324.308 0.730 10 0 DCAERM Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000263562850 303090703 /nfs/dbraw/zinc/09/07/03/303090703.db2.gz SZCLVNMSOMDUJV-IXLVHKGHSA-N -1 0 307.350 0.723 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)NCCSCC(=O)[O-] ZINC000389480713 336395578 /nfs/dbraw/zinc/39/55/78/336395578.db2.gz UZKRPXUATWPNCQ-UHFFFAOYSA-N -1 0 313.788 0.170 10 0 DCAERM O=C([O-])[C@H]1CN(S(=O)(=O)N2CCCC2)c2ccccc2O1 ZINC000020005038 337086710 /nfs/dbraw/zinc/08/67/10/337086710.db2.gz IXZBPTSIQCCNOF-GFCCVEGCSA-N -1 0 312.347 0.679 10 0 DCAERM C[C@@H](CO)[C@@H](C)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000126764545 524810065 /nfs/dbraw/zinc/81/00/65/524810065.db2.gz YXPMBBMXHWFKQO-VHSXEESVSA-N -1 0 321.402 0.818 10 0 DCAERM COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C(=O)[O-])cc1F ZINC000263180634 525370266 /nfs/dbraw/zinc/37/02/66/525370266.db2.gz WWZBKTGJORGXTF-RNCFNFMXSA-N -1 0 324.308 0.555 10 0 DCAERM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N1CNC(=S)NC1 ZINC000073639817 526305185 /nfs/dbraw/zinc/30/51/85/526305185.db2.gz QIDDWULBCFSFRA-LBPRGKRZSA-N -1 0 304.375 0.858 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCc2nc3ccccc3[nH]2)O1 ZINC000188972405 526327737 /nfs/dbraw/zinc/32/77/37/526327737.db2.gz PAXFUVITRCZRLQ-NWDGAFQWSA-N -1 0 303.318 0.854 10 0 DCAERM CC[C@H](C(=O)[O-])N(C)C(=O)Cn1cnc2sccc2c1=O ZINC000044614961 545651237 /nfs/dbraw/zinc/65/12/37/545651237.db2.gz OSDXCNSUZOTNLN-SECBINFHSA-N -1 0 309.347 0.780 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000070310627 545661752 /nfs/dbraw/zinc/66/17/52/545661752.db2.gz QYXHFPDNOIZOJG-UWVGGRQHSA-N -1 0 306.384 0.170 10 0 DCAERM COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000062132698 545659496 /nfs/dbraw/zinc/65/94/96/545659496.db2.gz IUCDLXWLQGRIQZ-VIFPVBQESA-N -1 0 315.347 0.799 10 0 DCAERM CO[C@@H](C)c1nsc(=NCCN2CCCS2(=O)=O)[n-]1 ZINC000405365375 546230050 /nfs/dbraw/zinc/23/00/50/546230050.db2.gz UDIHMSSLWJUHOU-QMMMGPOBSA-N -1 0 306.413 0.115 10 0 DCAERM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CO[C@]12CCS(=O)(=O)C2 ZINC000669380805 546964168 /nfs/dbraw/zinc/96/41/68/546964168.db2.gz PYMNEQSHCFDVDH-UFBFGSQYSA-N -1 0 321.351 0.222 10 0 DCAERM O=C([O-])[C@H]1Cn2cnnc2CN1C(=O)OCc1ccccc1 ZINC000669379797 546964302 /nfs/dbraw/zinc/96/43/02/546964302.db2.gz DRMIZXVZHGUQLP-LLVKDONJSA-N -1 0 302.290 0.884 10 0 DCAERM O=C(CCCNC(=O)C1CC1)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262259783 658910212 /nfs/dbraw/zinc/91/02/12/658910212.db2.gz YTJBEBMPYXRNFH-ZDUSSCGKSA-N -1 0 300.380 0.369 10 0 DCAERM CC(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1nccs1 ZINC000187585516 658933617 /nfs/dbraw/zinc/93/36/17/658933617.db2.gz CGHGVFXLLCLSEC-SECBINFHSA-N -1 0 303.409 0.966 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)ccn1C ZINC000194918809 659523211 /nfs/dbraw/zinc/52/32/11/659523211.db2.gz HROMEIIATPKMDN-NSHDSACASA-N -1 0 300.380 0.962 10 0 DCAERM CNC(=O)[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(C)C ZINC000178688993 661467161 /nfs/dbraw/zinc/46/71/61/661467161.db2.gz KYGPCLVSRVLTPH-LLVKDONJSA-N -1 0 302.334 0.424 10 0 DCAERM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCC(=O)[O-])C1 ZINC000262114245 662079897 /nfs/dbraw/zinc/07/98/97/662079897.db2.gz HLUJCVVNNXJADB-WDEREUQCSA-N -1 0 320.411 0.418 10 0 DCAERM CC[C@@](C)(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000262474672 662404703 /nfs/dbraw/zinc/40/47/03/662404703.db2.gz SQWJRHUOAIVOJT-OAHLLOKOSA-N -1 0 319.317 0.472 10 0 DCAERM O=C([O-])CCNC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000263276224 662667574 /nfs/dbraw/zinc/66/75/74/662667574.db2.gz SHWGXFKENVSHHG-GFCCVEGCSA-N -1 0 311.382 0.942 10 0 DCAERM C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000149322360 663671544 /nfs/dbraw/zinc/67/15/44/663671544.db2.gz COKYABCPHDPTBD-CPCISQLKSA-N -1 0 303.311 0.980 10 0 DCAERM CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000165085881 664400138 /nfs/dbraw/zinc/40/01/38/664400138.db2.gz DSEFKZVUOGIQAJ-LBPRGKRZSA-N -1 0 316.423 0.880 10 0 DCAERM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)C1CCOCC1 ZINC000165764673 664427316 /nfs/dbraw/zinc/42/73/16/664427316.db2.gz ADMLOJUCTBDDNN-LLVKDONJSA-N -1 0 304.412 0.896 10 0 DCAERM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)N2CC(CO)C2)c1 ZINC000227253976 664530758 /nfs/dbraw/zinc/53/07/58/664530758.db2.gz FZXOVXPMWLUBRF-UHFFFAOYSA-N -1 0 307.274 0.276 10 0 DCAERM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)C1 ZINC000153708091 664938256 /nfs/dbraw/zinc/93/82/56/664938256.db2.gz UYHQGTBAQJPDBP-MRVPVSSYSA-N -1 0 316.766 0.589 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@]12C[C@H]1CCCC2 ZINC000701745040 666872056 /nfs/dbraw/zinc/87/20/56/666872056.db2.gz RWJGMTBHKYLPIM-MDZLAQPJSA-N -1 0 302.396 0.950 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCc1ccns1 ZINC000709880491 667445857 /nfs/dbraw/zinc/44/58/57/667445857.db2.gz IFAKSSOIUOJVNU-VIFPVBQESA-N -1 0 305.381 0.069 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NC[C@]23C[C@H]2CCC3)C1 ZINC000710486029 667446190 /nfs/dbraw/zinc/44/61/90/667446190.db2.gz OANGTYXEUIZPJD-WZRBSPASSA-N -1 0 302.396 0.808 10 0 DCAERM Cc1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c(C)o1 ZINC000886097259 667732047 /nfs/dbraw/zinc/73/20/47/667732047.db2.gz XPNVPVQLMGCHSJ-INIZCTEOSA-N -1 0 322.361 0.898 10 0 DCAERM Cc1cc(C)c(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC000886096954 667732300 /nfs/dbraw/zinc/73/23/00/667732300.db2.gz PVVNJSSCWSRAEU-MRXNPFEDSA-N -1 0 322.361 0.898 10 0 DCAERM C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000193029755 670223848 /nfs/dbraw/zinc/22/38/48/670223848.db2.gz LZCFMJCLPVJTEA-RKDXNWHRSA-N -1 0 302.327 0.698 10 0 DCAERM COC[C@H](C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000105767075 672224117 /nfs/dbraw/zinc/22/41/17/672224117.db2.gz IWVYLSKBAUMAPI-NSHDSACASA-N -1 0 312.391 0.688 10 0 DCAERM CCN(CC)S(=O)(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC000719070088 685308323 /nfs/dbraw/zinc/30/83/23/685308323.db2.gz SDYIOVYHHGPBCX-VIFPVBQESA-N -1 0 307.397 0.315 10 0 DCAERM CO[C@]1(CNC(=O)N[C@@H](CC(F)F)C(=O)[O-])CCSC1 ZINC000719225619 685309477 /nfs/dbraw/zinc/30/94/77/685309477.db2.gz BOEWWLZRXONOTG-CPCISQLKSA-N -1 0 312.338 0.916 10 0 DCAERM O=S(=O)(NCCOC(F)(F)C(F)(F)F)c1ncc[n-]1 ZINC000720307267 685312738 /nfs/dbraw/zinc/31/27/38/685312738.db2.gz FQAHRAVDEZVNAJ-UHFFFAOYSA-N -1 0 309.216 0.860 10 0 DCAERM CO[C@@H]([C@@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000384278085 685243705 /nfs/dbraw/zinc/24/37/05/685243705.db2.gz AXIPFERELWCJJA-HQJQHLMTSA-N -1 0 302.352 0.805 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)c2ccccc2)C1 ZINC000261719572 1184937137 /nfs/dbraw/zinc/93/71/37/1184937137.db2.gz PXKULCSTZIHMCY-NWDGAFQWSA-N -1 0 306.318 0.117 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC000262091946 1185160369 /nfs/dbraw/zinc/16/03/69/1185160369.db2.gz CQFRZWGZXKNICN-CABZTGNLSA-N -1 0 319.317 0.030 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000262216106 1185163653 /nfs/dbraw/zinc/16/36/53/1185163653.db2.gz YZEGJIBMTICUJT-GHMZBOCLSA-N -1 0 307.302 0.658 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)COCCOc2ccccc2)C1 ZINC000262169414 1185163679 /nfs/dbraw/zinc/16/36/79/1185163679.db2.gz QGFYSXKAOVHIJW-UONOGXRCSA-N -1 0 323.345 0.783 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000262216108 1185163694 /nfs/dbraw/zinc/16/36/94/1185163694.db2.gz YZEGJIBMTICUJT-MNOVXSKESA-N -1 0 307.302 0.658 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000262973261 1185175226 /nfs/dbraw/zinc/17/52/26/1185175226.db2.gz QBSXOYKQNUDDQN-QWHCGFSZSA-N -1 0 320.345 0.703 10 0 DCAERM CC[C@@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C[C@@H]1N1CCOCC1 ZINC000263538435 1185179853 /nfs/dbraw/zinc/17/98/53/1185179853.db2.gz AYENAZHUDSQHEQ-ZOBORPQBSA-N -1 0 324.421 0.912 10 0 DCAERM C[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)S(C)(=O)=O ZINC000697580193 954826979 /nfs/dbraw/zinc/82/69/79/954826979.db2.gz KUHGWXLPGBFLNB-MRVPVSSYSA-N -1 0 300.336 0.939 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000687072933 976130790 /nfs/dbraw/zinc/13/07/90/976130790.db2.gz LFJGGRWRQZRRSY-LBPRGKRZSA-N -1 0 307.368 0.502 10 0 DCAERM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000687220277 976137603 /nfs/dbraw/zinc/13/76/03/976137603.db2.gz WPQOLDXDLPZAAG-DTORHVGOSA-N -1 0 316.404 0.913 10 0 DCAERM CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000689249557 976246497 /nfs/dbraw/zinc/24/64/97/976246497.db2.gz QKEZWQFJSHJWEM-CBAPKCEASA-N -1 0 304.324 0.154 10 0 DCAERM C[C@@H](O)CN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000691514327 976359994 /nfs/dbraw/zinc/35/99/94/976359994.db2.gz OKZXXDKUISMPRS-MRVPVSSYSA-N -1 0 302.352 0.257 10 0 DCAERM CC1(CO)CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694194769 976679023 /nfs/dbraw/zinc/67/90/23/976679023.db2.gz VUCUPNKJLARGQK-UHFFFAOYSA-N -1 0 303.336 0.761 10 0 DCAERM CNC(=O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211216 976682509 /nfs/dbraw/zinc/68/25/09/976682509.db2.gz YBCYSSCKZLDYMI-UHFFFAOYSA-N -1 0 304.324 0.028 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@]1(C)CO ZINC000694666633 976709021 /nfs/dbraw/zinc/70/90/21/976709021.db2.gz KSXHEWOBGUDGEU-UFBFGSQYSA-N -1 0 302.352 0.352 10 0 DCAERM O=C([O-])c1csc(SCCN2CCCS2(=O)=O)n1 ZINC000695129213 976782266 /nfs/dbraw/zinc/78/22/66/976782266.db2.gz IGBSEHIJASBMSO-UHFFFAOYSA-N -1 0 308.406 0.969 10 0 DCAERM CC[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)NC ZINC000697828022 976863570 /nfs/dbraw/zinc/86/35/70/976863570.db2.gz WGCPWWDKSHVWFD-ZETCQYMHSA-N -1 0 306.365 0.249 10 0 DCAERM C[C@@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000155624911 291221198 /nfs/dbraw/zinc/22/11/98/291221198.db2.gz BKVYOTGLLOVBOX-VHSXEESVSA-N -1 0 301.368 0.921 10 0 DCAERM C[C@H]1CN(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)C[C@H](C)O1 ZINC000165346191 291248352 /nfs/dbraw/zinc/24/83/52/291248352.db2.gz AWUCVIDTGAKXAC-QWRGUYRKSA-N -1 0 320.411 0.575 10 0 DCAERM CN(C(=O)NCC1(CC(=O)[O-])CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000165046883 291248368 /nfs/dbraw/zinc/24/83/68/291248368.db2.gz BCPMYHMJENEBNZ-SNVBAGLBSA-N -1 0 318.395 0.460 10 0 DCAERM CO[C@@H](C)c1nc(=N[C@@H]2CCCN(S(C)(=O)=O)C2)s[n-]1 ZINC000400228251 239252029 /nfs/dbraw/zinc/25/20/29/239252029.db2.gz LDQSYKMXCZSBPA-DTWKUNHWSA-N -1 0 320.440 0.503 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090932949 192954036 /nfs/dbraw/zinc/95/40/36/192954036.db2.gz CDZXOASVJYWRCD-UHFFFAOYSA-N -1 0 317.348 0.925 10 0 DCAERM O=C(CNC(=O)c1c[n-]n2c1nccc2=O)NC1CCCCC1 ZINC000566987089 291332430 /nfs/dbraw/zinc/33/24/30/291332430.db2.gz OEHZMDVHKPABFK-UHFFFAOYSA-N -1 0 317.349 0.201 10 0 DCAERM CC(C)C[C@@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000094705253 193392952 /nfs/dbraw/zinc/39/29/52/193392952.db2.gz JVTAVGCSRKMTOW-WDEREUQCSA-N -1 0 320.411 0.562 10 0 DCAERM O=C(CN1CSCC1=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000094744009 193395061 /nfs/dbraw/zinc/39/50/61/193395061.db2.gz GDBIERUMCJMZHQ-ZJUUUORDSA-N -1 0 300.380 0.669 10 0 DCAERM Cc1c(C(N)=O)sc2[nH]c(SCCC(=O)[O-])nc(=O)c12 ZINC000020379817 182213103 /nfs/dbraw/zinc/21/31/03/182213103.db2.gz OSRCXJPJUMVYQO-UHFFFAOYSA-N -1 0 313.360 0.959 10 0 DCAERM CNC(=O)[C@@H](C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000036894030 182851708 /nfs/dbraw/zinc/85/17/08/182851708.db2.gz ZLXXURCQFQLZQK-ZCFIWIBFSA-N -1 0 305.739 0.946 10 0 DCAERM O=C([O-])[C@H]1[C@@H](C(=O)[O-])[NH2+]CCN1C(=O)c1ccc(Cl)cc1 ZINC000006092693 304209706 /nfs/dbraw/zinc/20/97/06/304209706.db2.gz YWCVPDCUINPDGB-VHSXEESVSA-N -1 0 312.709 0.292 10 0 DCAERM O=C([O-])c1cc(Br)cnc1NCCOCCO ZINC000052926074 183880766 /nfs/dbraw/zinc/88/07/66/183880766.db2.gz LIENHOUFLGSRPJ-UHFFFAOYSA-N -1 0 305.128 0.963 10 0 DCAERM CC(=O)N[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000064219151 184292710 /nfs/dbraw/zinc/29/27/10/184292710.db2.gz NAPJLRVVLIOWCL-LKFCYVNXSA-N -1 0 317.345 0.804 10 0 DCAERM O=C([O-])c1csc(CNS(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000090932905 395720225 /nfs/dbraw/zinc/72/02/25/395720225.db2.gz MEZCBEPTLRVVON-ZETCQYMHSA-N -1 0 306.365 0.440 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000037377282 395726761 /nfs/dbraw/zinc/72/67/61/395726761.db2.gz MAKJQLVBBXUYIL-WPRPVWTQSA-N -1 0 321.301 0.827 10 0 DCAERM CCCc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000037414585 395727208 /nfs/dbraw/zinc/72/72/08/395727208.db2.gz JHZWQNLRUOAVCW-WCQYABFASA-N -1 0 313.375 0.848 10 0 DCAERM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000106101871 395781636 /nfs/dbraw/zinc/78/16/36/395781636.db2.gz WHONUWOAMMZGFF-UHFFFAOYSA-N -1 0 312.347 0.906 10 0 DCAERM CN(C[C@H]1CCCCO1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000048949680 395825283 /nfs/dbraw/zinc/82/52/83/395825283.db2.gz KXSSNRRITPRZNV-MRVPVSSYSA-N -1 0 303.340 0.298 10 0 DCAERM O=C1OCC[C@@]12CCCN2S(=O)(=O)[N-]CC(F)(F)F ZINC000195462499 395827613 /nfs/dbraw/zinc/82/76/13/395827613.db2.gz YMFRFHHVMQWCDW-QMMMGPOBSA-N -1 0 302.274 0.165 10 0 DCAERM C[C@H](CCCC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000227190126 395868001 /nfs/dbraw/zinc/86/80/01/395868001.db2.gz AZEWPUOHPZGWRI-MXWKQRLJSA-N -1 0 308.400 0.573 10 0 DCAERM CC[C@](C)(CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000228199045 395871117 /nfs/dbraw/zinc/87/11/17/395871117.db2.gz COYLDZHKJDZLRR-JBLDHEPKSA-N -1 0 308.400 0.431 10 0 DCAERM CC(C)(C)OC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2cccnc2)[C@@H]1N ZINC000257353651 396046155 /nfs/dbraw/zinc/04/61/55/396046155.db2.gz SHWYQKSSZUTCAC-UTUOFQBUSA-N -1 0 307.350 0.766 10 0 DCAERM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251680583 396016852 /nfs/dbraw/zinc/01/68/52/396016852.db2.gz MKDGMXOICJNFLY-GMTAPVOTSA-N -1 0 308.400 0.429 10 0 DCAERM CC(C)(CO)Nc1nc[n-]c(=O)c1I ZINC000166821090 396088547 /nfs/dbraw/zinc/08/85/47/396088547.db2.gz ZSYLLTOVDSHBAP-UHFFFAOYSA-N -1 0 309.107 0.557 10 0 DCAERM CN(C[C@@H](O)COCc1ccccc1)C(=O)C1(C(=O)[O-])CC1 ZINC000262180731 396108125 /nfs/dbraw/zinc/10/81/25/396108125.db2.gz FMZJMMZJNHGEFQ-CYBMUJFWSA-N -1 0 307.346 0.887 10 0 DCAERM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262818909 396184741 /nfs/dbraw/zinc/18/47/41/396184741.db2.gz PUXRNCVJPVBCAQ-UTUOFQBUSA-N -1 0 307.350 0.658 10 0 DCAERM Cc1cc(N2CCC[C@@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)n(C)n1 ZINC000262890702 396190077 /nfs/dbraw/zinc/19/00/77/396190077.db2.gz YZFHMIDLCRESAV-SNVBAGLBSA-N -1 0 320.349 0.205 10 0 DCAERM CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000187177115 396364617 /nfs/dbraw/zinc/36/46/17/396364617.db2.gz CIFGGXVYUBPJNH-VIFPVBQESA-N -1 0 301.416 0.283 10 0 DCAERM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000192033105 396428422 /nfs/dbraw/zinc/42/84/22/396428422.db2.gz OIAWIQSQDIGZDL-RYUDHWBXSA-N -1 0 316.423 0.785 10 0 DCAERM COCCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CC2)CC1 ZINC000372253759 396499596 /nfs/dbraw/zinc/49/95/96/396499596.db2.gz HQSOMNHIVMXWHZ-UHFFFAOYSA-N -1 0 305.396 0.930 10 0 DCAERM O=C([O-])CN(C(=O)NCC1CCS(=O)(=O)CC1)C1CCC1 ZINC000562431836 396664042 /nfs/dbraw/zinc/66/40/42/396664042.db2.gz VJRXWEVHPGDLLK-UHFFFAOYSA-N -1 0 318.395 0.460 10 0 DCAERM Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)oc1C(=O)[O-] ZINC000630101673 396940454 /nfs/dbraw/zinc/94/04/54/396940454.db2.gz VZLTXOYIMWSNIM-MRVPVSSYSA-N -1 0 301.320 0.545 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CC(C)(C)[C@@H]1C(=O)[O-] ZINC000630426839 397018685 /nfs/dbraw/zinc/01/86/85/397018685.db2.gz PCLYXTMZKSAJNV-ZETCQYMHSA-N -1 0 307.759 0.557 10 0 DCAERM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000391671284 397305789 /nfs/dbraw/zinc/30/57/89/397305789.db2.gz HELUNNXNZGIVEO-AXFHLTTASA-N -1 0 308.400 0.573 10 0 DCAERM C[S@](=O)C1(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCC1 ZINC000393726395 397307543 /nfs/dbraw/zinc/30/75/43/397307543.db2.gz CXFYPOJLMULOKS-AUKWLOTRSA-N -1 0 302.396 0.840 10 0 DCAERM COC[C@@H](C)S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000447828703 397417116 /nfs/dbraw/zinc/41/71/16/397417116.db2.gz GCGIZUYAUOROIO-VXNVDRBHSA-N -1 0 315.317 0.978 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262111476 286647196 /nfs/dbraw/zinc/64/71/96/286647196.db2.gz DYZHCNGKFCJHIA-LLVKDONJSA-N -1 0 320.411 0.514 10 0 DCAERM O=C([O-])c1ccn(-c2ccccc2NC(=O)[C@H]2COCCO2)n1 ZINC000262418439 158811532 /nfs/dbraw/zinc/81/15/32/158811532.db2.gz MRCIXITWFMRAGC-CYBMUJFWSA-N -1 0 317.301 0.924 10 0 DCAERM C[C@@H](CC(=O)[O-])NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262949420 158849166 /nfs/dbraw/zinc/84/91/66/158849166.db2.gz ILLJIUGTYNPDTK-QMMMGPOBSA-N -1 0 305.290 0.082 10 0 DCAERM CC(C)(CCNC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000263085954 158855146 /nfs/dbraw/zinc/85/51/46/158855146.db2.gz SROPVDMPPJSRSP-UHFFFAOYSA-N -1 0 306.326 0.026 10 0 DCAERM Cc1cc(N2CCC[C@@H](NC(=O)NCCC(=O)[O-])C2)n(C)n1 ZINC000263322351 158872506 /nfs/dbraw/zinc/87/25/06/158872506.db2.gz ASFQKDNBSJESPA-LLVKDONJSA-N -1 0 309.370 0.471 10 0 DCAERM NC(=O)[C@@H]1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263343431 158874045 /nfs/dbraw/zinc/87/40/45/158874045.db2.gz FYZSONBWTWUQET-NEPJUHHUSA-N -1 0 305.334 0.838 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccccc1F ZINC000364414632 159274126 /nfs/dbraw/zinc/27/41/26/159274126.db2.gz FMWFOHSHKRNFCN-GXSJLCMTSA-N -1 0 303.311 0.175 10 0 DCAERM NC(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)O1 ZINC000408121644 160041116 /nfs/dbraw/zinc/04/11/16/160041116.db2.gz FPQLDZZJDSNDFN-MNOVXSKESA-N -1 0 318.395 0.046 10 0 DCAERM Cc1[nH]nc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)c1C ZINC000408247463 160068951 /nfs/dbraw/zinc/06/89/51/160068951.db2.gz OOJFXSWCGJXFLD-JTQLQIEISA-N -1 0 301.368 0.513 10 0 DCAERM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)C2CC(C)C2)s1 ZINC000408333442 160086702 /nfs/dbraw/zinc/08/67/02/160086702.db2.gz FCFWJEPJGVIVHR-UHFFFAOYSA-N -1 0 317.392 0.953 10 0 DCAERM Cn1cc([C@H]2OCC[C@@H]2C(=O)[N-]S(=O)(=O)C2(C)CC2)cn1 ZINC000408346666 160088996 /nfs/dbraw/zinc/08/89/96/160088996.db2.gz UBHTWBUIAXQZRA-WDEREUQCSA-N -1 0 313.379 0.496 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1 ZINC000408452836 160110975 /nfs/dbraw/zinc/11/09/75/160110975.db2.gz PZLXORLFBWURRL-SNVBAGLBSA-N -1 0 301.368 0.350 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000408456127 160111600 /nfs/dbraw/zinc/11/16/00/160111600.db2.gz ZYALCYLAJZTZQS-UHFFFAOYSA-N -1 0 323.378 0.380 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000408461745 160113949 /nfs/dbraw/zinc/11/39/49/160113949.db2.gz BGEFRVGCYROXQM-NSHDSACASA-N -1 0 316.379 0.422 10 0 DCAERM O=C([N-]S(=O)(=O)c1ncccc1F)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408476885 160117169 /nfs/dbraw/zinc/11/71/69/160117169.db2.gz CSNMKWHAOFLTSR-SZEHBUNVSA-N -1 0 300.311 0.451 10 0 DCAERM CO[C@@]1(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)s2)CCOC1 ZINC000408483658 160118439 /nfs/dbraw/zinc/11/84/39/160118439.db2.gz XFKJOUHLWSPXLP-LBPRGKRZSA-N -1 0 319.404 0.975 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1cn(CC2CC2)nn1 ZINC000408491294 160118895 /nfs/dbraw/zinc/11/88/95/160118895.db2.gz ABKXZUBVSUETMQ-MDZLAQPJSA-N -1 0 324.406 0.936 10 0 DCAERM CO[C@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000408491233 160118897 /nfs/dbraw/zinc/11/88/97/160118897.db2.gz GPQCAWFHGTZWJG-RYUDHWBXSA-N -1 0 305.396 0.674 10 0 DCAERM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3ccccn3)c2C1 ZINC000408493840 160119691 /nfs/dbraw/zinc/11/96/91/160119691.db2.gz BJADZEGLNYFRLB-JTQLQIEISA-N -1 0 320.374 0.979 10 0 DCAERM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3ccnn3C)c2C1 ZINC000408494903 160119719 /nfs/dbraw/zinc/11/97/19/160119719.db2.gz CUZAFFCPJWFWTN-VIFPVBQESA-N -1 0 323.378 0.318 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C[C@@H]1F ZINC000408501738 160120141 /nfs/dbraw/zinc/12/01/41/160120141.db2.gz RDJQAECATICQDG-GZMMTYOYSA-N -1 0 303.315 0.219 10 0 DCAERM CC(=O)N[C@@H](CC(=O)NC1(c2nnn[n-]2)CC1)c1cccs1 ZINC000357080218 287203463 /nfs/dbraw/zinc/20/34/63/287203463.db2.gz TYTQWAIIXUTFNZ-VIFPVBQESA-N -1 0 320.378 0.634 10 0 DCAERM COC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000022148449 415157119 /nfs/dbraw/zinc/15/71/19/415157119.db2.gz DDKLOKGOESDABX-QMMMGPOBSA-N -1 0 303.336 0.712 10 0 DCAERM CCc1nc(=NCC(C)(C)N2CCS(=O)CC2)s[n-]1 ZINC000333756345 415732039 /nfs/dbraw/zinc/73/20/39/415732039.db2.gz UOLOECPLVAXYGS-UHFFFAOYSA-N -1 0 302.469 0.777 10 0 DCAERM Cc1nc(Cl)ccc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000290022247 415749776 /nfs/dbraw/zinc/74/97/76/415749776.db2.gz BBSCWKJSVOMDBN-UHFFFAOYSA-N -1 0 318.742 0.241 10 0 DCAERM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](C)[C@H](C)C(=O)[O-])C2=O ZINC000263505052 416338089 /nfs/dbraw/zinc/33/80/89/416338089.db2.gz ZUZDOECASPHABQ-UWVGGRQHSA-N -1 0 318.329 0.816 10 0 DCAERM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1nccc(N)n1 ZINC000583386571 416463598 /nfs/dbraw/zinc/46/35/98/416463598.db2.gz CCHQATHAJYSMSY-UHFFFAOYSA-N -1 0 302.334 1.154 10 0 DCAERM CN(C)c1ncccc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000532793590 416455742 /nfs/dbraw/zinc/45/57/42/416455742.db2.gz GUGAEKKNXPXXCG-SNVBAGLBSA-N -1 0 301.354 0.681 10 0 DCAERM CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2nnn[n-]2)C1 ZINC000616598223 417084671 /nfs/dbraw/zinc/08/46/71/417084671.db2.gz NCMNCQUIUGQMMN-SNVBAGLBSA-N -1 0 312.374 0.488 10 0 DCAERM O=C([O-])c1csc(S(=O)(=O)NCC[C@]2(O)CCOC2)c1 ZINC000403150235 417114981 /nfs/dbraw/zinc/11/49/81/417114981.db2.gz ZBIYPXOLQLFFBK-NSHDSACASA-N -1 0 321.376 0.266 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000408453436 417164220 /nfs/dbraw/zinc/16/42/20/417164220.db2.gz RRMUCLDWNTZXMK-ZETOZRRWSA-N -1 0 309.366 0.392 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000530143163 417541228 /nfs/dbraw/zinc/54/12/28/417541228.db2.gz IOUUUQPKUBAOQM-AOOOYVTPSA-N -1 0 301.368 0.521 10 0 DCAERM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1cc([O-])cc(F)c1 ZINC000623013631 417526502 /nfs/dbraw/zinc/52/65/02/417526502.db2.gz VAEWOVDMHGMSAM-SECBINFHSA-N -1 0 323.367 0.387 10 0 DCAERM CC(C)C[C@H](CNC(=O)N1CCO[C@H](CO)C1)CC(=O)[O-] ZINC000167337507 545878117 /nfs/dbraw/zinc/87/81/17/545878117.db2.gz NNCKBKAEKRVCRU-RYUDHWBXSA-N -1 0 302.371 0.526 10 0 DCAERM C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCS1(=O)=O ZINC000659424121 418095659 /nfs/dbraw/zinc/09/56/59/418095659.db2.gz CEYCRZMJVIAVTO-SECBINFHSA-N -1 0 304.368 0.070 10 0 DCAERM COc1cc(C)cnc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000488975215 272055648 /nfs/dbraw/zinc/05/56/48/272055648.db2.gz DXHUNKLZBMTVGW-UHFFFAOYSA-N -1 0 311.323 0.173 10 0 DCAERM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1cnccn1)CC2 ZINC000091650722 277981488 /nfs/dbraw/zinc/98/14/88/277981488.db2.gz GVTJPOGAMIPJIG-GFCCVEGCSA-N -1 0 304.350 0.769 10 0 DCAERM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262400499 278008088 /nfs/dbraw/zinc/00/80/88/278008088.db2.gz YNEGREPAKTXFBK-OPRDCNLKSA-N -1 0 322.283 0.719 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000547562071 288058582 /nfs/dbraw/zinc/05/85/82/288058582.db2.gz HFCRJMLOCIIFRA-MWLCHTKSSA-N -1 0 302.352 0.594 10 0 DCAERM COCCCS(=O)(=O)N(Cc1cccnc1)[C@@H](C)C(=O)[O-] ZINC000548213293 288121815 /nfs/dbraw/zinc/12/18/15/288121815.db2.gz RBXMOEQSXBJCMP-NSHDSACASA-N -1 0 316.379 0.723 10 0 DCAERM CC[C@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C[C@@H]1N1CCOCC1 ZINC000263538433 288267390 /nfs/dbraw/zinc/26/73/90/288267390.db2.gz AYENAZHUDSQHEQ-XDQVBPFNSA-N -1 0 324.421 0.912 10 0 DCAERM NC(=O)c1csc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000555557349 288355442 /nfs/dbraw/zinc/35/54/42/288355442.db2.gz UTJZHOHFGIBHQP-SSDOTTSWSA-N -1 0 321.362 0.691 10 0 DCAERM CN1C(=O)c2ccc(C(=O)N3CCC[C@]3(C)C(=O)[O-])cc2C1=O ZINC000263443227 289858460 /nfs/dbraw/zinc/85/84/60/289858460.db2.gz MVTHCOLFBGIGHE-MRXNPFEDSA-N -1 0 316.313 0.992 10 0 DCAERM CCN(CC)S(=O)(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000021818438 337338443 /nfs/dbraw/zinc/33/84/43/337338443.db2.gz QZZUOWKNFXCUJP-GFCCVEGCSA-N -1 0 314.363 0.925 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000218789630 337341218 /nfs/dbraw/zinc/34/12/18/337341218.db2.gz WTOVKWFXJXQBPF-WRWGMCAJSA-N -1 0 320.411 0.573 10 0 DCAERM CC(=O)NC1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000191508298 519648676 /nfs/dbraw/zinc/64/86/76/519648676.db2.gz RNWNYVXZAXRWLF-UHFFFAOYSA-N -1 0 318.308 0.678 10 0 DCAERM CC(C)CN(CC(=O)[O-])C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000236667439 519710369 /nfs/dbraw/zinc/71/03/69/519710369.db2.gz CPDLJOITIRPUNV-UHFFFAOYSA-N -1 0 317.349 0.774 10 0 DCAERM C[C@@H](CO)[C@H](C)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000126765045 524812421 /nfs/dbraw/zinc/81/24/21/524812421.db2.gz YXPMBBMXHWFKQO-UWVGGRQHSA-N -1 0 321.402 0.818 10 0 DCAERM Cc1ccn2c(c1)ncc(C(=O)N[C@@H](C)CCC(=O)[O-])c2=O ZINC000237538009 525612999 /nfs/dbraw/zinc/61/29/99/525612999.db2.gz YXNCCHNQVSOPBH-JTQLQIEISA-N -1 0 303.318 0.986 10 0 DCAERM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](CF)C(=O)[O-])C2=O ZINC000262877301 526141670 /nfs/dbraw/zinc/14/16/70/526141670.db2.gz GRIPSXWTLKYCTJ-SNVBAGLBSA-N -1 0 308.265 0.130 10 0 DCAERM COCCCS(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000090941047 545715799 /nfs/dbraw/zinc/71/57/99/545715799.db2.gz VFADYCRDZYWLDA-ZETCQYMHSA-N -1 0 308.381 0.858 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1coc(Br)c1 ZINC000392186021 546220302 /nfs/dbraw/zinc/22/03/02/546220302.db2.gz RDAIVKWIWJAAEV-UHFFFAOYSA-N -1 0 302.084 0.691 10 0 DCAERM COC(=O)[C@H](C[S@](=O)[O-])NC(=O)OCc1ccccc1 ZINC000675062467 547658905 /nfs/dbraw/zinc/65/89/05/547658905.db2.gz UJRAVKXAPQVPEO-JTQLQIEISA-N -1 0 301.320 0.676 10 0 DCAERM CCC[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000679568590 548066746 /nfs/dbraw/zinc/06/67/46/548066746.db2.gz JWXZHVVBNSXZDH-VIFPVBQESA-N -1 0 306.384 0.364 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(C)C)cc1 ZINC000180110174 665422779 /nfs/dbraw/zinc/42/27/79/665422779.db2.gz CGTNXWYDJSHWNO-LLVKDONJSA-N -1 0 310.375 0.897 10 0 DCAERM CS[C@H]1CC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000235278496 658246026 /nfs/dbraw/zinc/24/60/26/658246026.db2.gz AUIIUQBKYCEHAA-RQJHMYQMSA-N -1 0 305.381 0.670 10 0 DCAERM O=C([O-])c1ccoc1S(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000723212040 658609224 /nfs/dbraw/zinc/60/92/24/658609224.db2.gz YGDMXTZWYFDMJG-GFCCVEGCSA-N -1 0 301.320 0.779 10 0 DCAERM COC1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)s2)CC1 ZINC000312256151 659220354 /nfs/dbraw/zinc/22/03/54/659220354.db2.gz NQRUNGCRMHDLBP-UHFFFAOYSA-N -1 0 320.392 0.706 10 0 DCAERM C[C@@H]1SCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000311786257 659364058 /nfs/dbraw/zinc/36/40/58/659364058.db2.gz ZEIMBHMESFIIQJ-CBAPKCEASA-N -1 0 302.377 0.952 10 0 DCAERM C[C@H]1SCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000311786256 659364226 /nfs/dbraw/zinc/36/42/26/659364226.db2.gz ZEIMBHMESFIIQJ-APPZFPTMSA-N -1 0 302.377 0.952 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000020552926 659546080 /nfs/dbraw/zinc/54/60/80/659546080.db2.gz CQDZZNFFXYNQKV-DCAQKATOSA-N -1 0 306.384 0.280 10 0 DCAERM CCC[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000262206932 662163082 /nfs/dbraw/zinc/16/30/82/662163082.db2.gz XCSYWLSQZLNEIN-NSHDSACASA-N -1 0 319.317 0.472 10 0 DCAERM Cc1nc([C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)sc1C(=O)[O-] ZINC000262598477 662498447 /nfs/dbraw/zinc/49/84/47/662498447.db2.gz XUDPMWKBMZJJTC-RNFRBKRXSA-N -1 0 320.392 0.760 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000263195022 662652060 /nfs/dbraw/zinc/65/20/60/662652060.db2.gz YBCPTKPUPBFHBM-WDMOLILDSA-N -1 0 321.329 0.917 10 0 DCAERM CO[C@](C)(CO)CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000702556971 666969213 /nfs/dbraw/zinc/96/92/13/666969213.db2.gz UHYREMWCSIQRHK-JTQLQIEISA-N -1 0 312.750 0.550 10 0 DCAERM Cc1ccc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1C ZINC000886096540 667731489 /nfs/dbraw/zinc/73/14/89/667731489.db2.gz BGEWZAFPBTVMEG-INIZCTEOSA-N -1 0 321.377 0.335 10 0 DCAERM Cc1c([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C[C@@H]2CCOC2)cnn1C ZINC000886094025 667731792 /nfs/dbraw/zinc/73/17/92/667731792.db2.gz ONSYPCNFSBLRIY-MJVIPROJSA-N -1 0 307.350 0.739 10 0 DCAERM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000111570784 671265821 /nfs/dbraw/zinc/26/58/21/671265821.db2.gz BHLCZROODRDBPR-UWVGGRQHSA-N -1 0 314.345 0.649 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1cccnc1Br ZINC000392285801 685262330 /nfs/dbraw/zinc/26/23/30/685262330.db2.gz LKBBJUBUDDQCNS-UHFFFAOYSA-N -1 0 313.111 0.493 10 0 DCAERM CO[C@@]1(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])CCSC1 ZINC000719217052 685308608 /nfs/dbraw/zinc/30/86/08/685308608.db2.gz FNPBHSSXSLJZIC-BXKDBHETSA-N -1 0 304.368 0.004 10 0 DCAERM Cn1cc(CNC(=O)C(C)(C)C(=O)[O-])c(Br)n1 ZINC000720657395 685314768 /nfs/dbraw/zinc/31/47/68/685314768.db2.gz SEFBTVLYWJLMHT-UHFFFAOYSA-N -1 0 304.144 0.910 10 0 DCAERM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000159633191 685137999 /nfs/dbraw/zinc/13/79/99/685137999.db2.gz SXKLTGKUIAYIKH-PELKAZGASA-N -1 0 310.331 0.347 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000237239476 1180869600 /nfs/dbraw/zinc/86/96/00/1180869600.db2.gz MIRNOBISEBTMPJ-ZANVPECISA-N -1 0 303.318 0.806 10 0 DCAERM CCc1oc(C(=O)N(C)CC(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000261682404 1184750702 /nfs/dbraw/zinc/75/07/02/1184750702.db2.gz QPKZTHBXFRUUHS-UHFFFAOYSA-N -1 0 324.333 0.471 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3nnc(C)n3c2)C1 ZINC000262102981 1185162078 /nfs/dbraw/zinc/16/20/78/1185162078.db2.gz FSFUWYLROKWBBL-WDEREUQCSA-N -1 0 304.306 0.352 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnn3ccc(C)nc23)C1 ZINC000262154412 1185162415 /nfs/dbraw/zinc/16/24/15/1185162415.db2.gz OAMOMHFCYFCAKH-GXSJLCMTSA-N -1 0 304.306 0.352 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc(NC(N)=O)c2)C1 ZINC000262219297 1185163632 /nfs/dbraw/zinc/16/36/32/1185163632.db2.gz ZLYJWDVBSUIVHH-WDEREUQCSA-N -1 0 307.306 0.491 10 0 DCAERM COc1ccc(CC(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])cc1OC ZINC000262424372 1185168555 /nfs/dbraw/zinc/16/85/55/1185168555.db2.gz FHGRSSVTFWIHOK-RYUDHWBXSA-N -1 0 323.345 0.947 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000262554234 1185169891 /nfs/dbraw/zinc/16/98/91/1185169891.db2.gz SZYRVPRWEOIFBJ-MWLCHTKSSA-N -1 0 320.301 0.332 10 0 DCAERM O=C([O-])C[C@H]1CCCN1C(=O)CCn1nc2ccccn2c1=O ZINC000263033744 1185175160 /nfs/dbraw/zinc/17/51/60/1185175160.db2.gz VDBYBKIYYBSTSB-LLVKDONJSA-N -1 0 318.333 0.352 10 0 DCAERM CO[C@@H](CNC(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000263021528 1185175896 /nfs/dbraw/zinc/17/58/96/1185175896.db2.gz ANNOZKVAAJFJNE-ZDUSSCGKSA-N -1 0 308.334 0.353 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCC(=O)NCc1ccccn1 ZINC000263542162 1185179277 /nfs/dbraw/zinc/17/92/77/1185179277.db2.gz DNRMAXUGIQKUQR-OLZOCXBDSA-N -1 0 319.361 0.561 10 0 DCAERM CC[C@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C[C@H]1N1CCOCC1 ZINC000263538432 1185179875 /nfs/dbraw/zinc/17/98/75/1185179875.db2.gz AYENAZHUDSQHEQ-RFQIPJPRSA-N -1 0 324.421 0.912 10 0 DCAERM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000588515889 747390592 /nfs/dbraw/zinc/39/05/92/747390592.db2.gz UNZPFCWOBZODFR-SSDOTTSWSA-N -1 0 308.367 0.831 10 0 DCAERM CO[C@H](C(=O)[O-])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000713259504 941007552 /nfs/dbraw/zinc/00/75/52/941007552.db2.gz LDCLWJDPYWNBIF-KGLIPLIRSA-N -1 0 322.361 0.103 10 0 DCAERM COCC(COC)S(=O)(=O)NC1(C(=O)[O-])CCCCC1 ZINC000688587616 954631587 /nfs/dbraw/zinc/63/15/87/954631587.db2.gz WHCJZUNDVIQZMU-UHFFFAOYSA-N -1 0 309.384 0.355 10 0 DCAERM Cn1nnc(Br)c1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693011680 954718316 /nfs/dbraw/zinc/71/83/16/954718316.db2.gz DCMVPPCUCAIUFF-URHBZAFASA-N -1 0 303.116 0.171 10 0 DCAERM CC[C@H](CNC(=O)NCC1(S(=O)(=O)CC)CC1)C(=O)[O-] ZINC000693532767 954766574 /nfs/dbraw/zinc/76/65/74/954766574.db2.gz IELDZXFJLKEEEK-SECBINFHSA-N -1 0 306.384 0.364 10 0 DCAERM C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000688589090 976186610 /nfs/dbraw/zinc/18/66/10/976186610.db2.gz XAIRAXMQYBPYRZ-OUAUKWLOSA-N -1 0 305.396 0.769 10 0 DCAERM COCC(COC)S(=O)(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000688587630 976187089 /nfs/dbraw/zinc/18/70/89/976187089.db2.gz WPBLKIHKVVDFRZ-NSHDSACASA-N -1 0 309.384 0.307 10 0 DCAERM Cc1oc(C(=O)[O-])cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000689112720 976225887 /nfs/dbraw/zinc/22/58/87/976225887.db2.gz TXCXGEKEHVBXRJ-QMMMGPOBSA-N -1 0 301.320 0.451 10 0 DCAERM CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000689229137 976242272 /nfs/dbraw/zinc/24/22/72/976242272.db2.gz FLAWMVKXDGGQOC-HTQZYQBOSA-N -1 0 320.392 0.623 10 0 DCAERM C[C@H](O)CN(C1CC1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000691510996 976359107 /nfs/dbraw/zinc/35/91/07/976359107.db2.gz GGFKNONTBNNHSN-LURJTMIESA-N -1 0 306.365 0.375 10 0 DCAERM CCN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000693415296 976626942 /nfs/dbraw/zinc/62/69/42/976626942.db2.gz KJMFVAPOOBSSQZ-KXUCPTDWSA-N -1 0 304.368 0.068 10 0 DCAERM CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694175057 976676698 /nfs/dbraw/zinc/67/66/98/976676698.db2.gz CJVYMYAMXMWRPT-JTQLQIEISA-N -1 0 302.352 0.693 10 0 DCAERM C[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)S(C)(=O)=O ZINC000697635782 976855114 /nfs/dbraw/zinc/85/51/14/976855114.db2.gz KWYKBPVEXWLEHM-JTQLQIEISA-N -1 0 305.396 0.961 10 0 DCAERM COCCn1c(C)c2c(cc1=O)[n-]n(-c1ncccn1)c2=O ZINC000072446229 191168712 /nfs/dbraw/zinc/16/87/12/191168712.db2.gz DAESOSDNENGWAT-UHFFFAOYSA-N -1 0 301.306 0.225 10 0 DCAERM O=C([O-])Cn1c2ccccc2c(=O)n(C[C@H]2CCCO2)c1=O ZINC000073658583 191338517 /nfs/dbraw/zinc/33/85/17/191338517.db2.gz AQOXKRWNJFIYPH-SNVBAGLBSA-N -1 0 304.302 0.427 10 0 DCAERM CCc1nc(-c2ccncc2)n2c(=O)n(CC(=O)[O-])nc2c1C ZINC000073695096 191342898 /nfs/dbraw/zinc/34/28/98/191342898.db2.gz ZQIGEXGFJNSQCJ-UHFFFAOYSA-N -1 0 313.317 0.908 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000164838474 291247434 /nfs/dbraw/zinc/24/74/34/291247434.db2.gz BHAYEHUFVXCMOC-BXKDBHETSA-N -1 0 301.368 0.825 10 0 DCAERM CCC[C@H](CNC(=O)[C@H]1CSCN1C(=O)CC)C(=O)[O-] ZINC000263220302 283883139 /nfs/dbraw/zinc/88/31/39/283883139.db2.gz QOCUTHDHZMGQPU-NXEZZACHSA-N -1 0 302.396 0.915 10 0 DCAERM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1cccnc1 ZINC000092778629 304151077 /nfs/dbraw/zinc/15/10/77/304151077.db2.gz DWCNDKNEEREVBH-NSHDSACASA-N -1 0 308.319 0.005 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000013028429 181824695 /nfs/dbraw/zinc/82/46/95/181824695.db2.gz CMEWCGFMKAMILD-JQWIXIFHSA-N -1 0 313.331 0.098 10 0 DCAERM O=C([O-])[C@H]1CCCN(C(=O)CS(=O)(=O)c2ccccc2)C1 ZINC000020200485 182196779 /nfs/dbraw/zinc/19/67/79/182196779.db2.gz PFUCLDJRBDXWRE-NSHDSACASA-N -1 0 311.359 0.784 10 0 DCAERM C[C@H](O)[C@H](NC(=O)c1cc(Br)cn1C)C(=O)[O-] ZINC000020214054 182198128 /nfs/dbraw/zinc/19/81/28/182198128.db2.gz OAJJUZFGFWPZHS-XNCJUZBTSA-N -1 0 305.128 0.351 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])s2)CCO1 ZINC000021029722 182261949 /nfs/dbraw/zinc/26/19/49/182261949.db2.gz KAKYNINCKKCQNG-QMMMGPOBSA-N -1 0 305.377 0.785 10 0 DCAERM CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000573635920 291645590 /nfs/dbraw/zinc/64/55/90/291645590.db2.gz TUZCLBUVOSTXJN-LLVKDONJSA-N -1 0 305.334 0.911 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1c(F)cccc1F ZINC000037414609 304203845 /nfs/dbraw/zinc/20/38/45/304203845.db2.gz WXHRWRVJHNIHHU-IMTBSYHQSA-N -1 0 307.274 0.173 10 0 DCAERM COC(=O)CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000042340048 183256031 /nfs/dbraw/zinc/25/60/31/183256031.db2.gz WMDUBZPMNFMCFH-UHFFFAOYSA-N -1 0 305.283 0.829 10 0 DCAERM COc1ccc(OC)c([C@@]2(C)NC(=O)N(CC(=O)[O-])C2=O)c1 ZINC000057842321 184056663 /nfs/dbraw/zinc/05/66/63/184056663.db2.gz MNWNFABLVNDMKF-CQSZACIVSA-N -1 0 308.290 0.555 10 0 DCAERM C[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@H]1CCCO1 ZINC000134675434 545802234 /nfs/dbraw/zinc/80/22/34/545802234.db2.gz VNWXTFNNKDQQMS-NKWVEPMBSA-N -1 0 306.365 0.687 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000085327465 395699987 /nfs/dbraw/zinc/69/99/87/395699987.db2.gz FWDCSFCLQBXTSD-WISYIIOYSA-N -1 0 320.411 0.573 10 0 DCAERM C[C@@H](CCC[C@H](C)C(=O)[O-])NC(=O)N1CCS(=O)(=O)CC1 ZINC000087675080 395706762 /nfs/dbraw/zinc/70/67/62/395706762.db2.gz MDURBSPSDHSFEP-QWRGUYRKSA-N -1 0 320.411 0.706 10 0 DCAERM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1C ZINC000036983321 395725273 /nfs/dbraw/zinc/72/52/73/395725273.db2.gz ALHHKBBKRZSZGU-LDYMZIIASA-N -1 0 303.336 0.116 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000037377047 395726762 /nfs/dbraw/zinc/72/67/62/395726762.db2.gz BBSYABLVMPSQQS-WDEREUQCSA-N -1 0 317.338 0.997 10 0 DCAERM Cc1cccc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000130589967 395923367 /nfs/dbraw/zinc/92/33/67/395923367.db2.gz UHLCEKROYODOQZ-UHFFFAOYSA-N -1 0 311.301 0.245 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000227865577 395869906 /nfs/dbraw/zinc/86/99/06/395869906.db2.gz WOFTUWLVYDBUGV-IONNQARKSA-N -1 0 321.786 0.995 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000230811608 395881447 /nfs/dbraw/zinc/88/14/47/395881447.db2.gz YQGPNIZJFUGMNQ-JGVFFNPUSA-N -1 0 321.786 0.995 10 0 DCAERM CC(C)CN(CC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000062744062 395973678 /nfs/dbraw/zinc/97/36/78/395973678.db2.gz JCXGNIFQWXEMRM-SNVBAGLBSA-N -1 0 306.384 0.268 10 0 DCAERM O=c1[n-]cnc(N[C@@H]2CCCOC2)c1I ZINC000165262574 396087642 /nfs/dbraw/zinc/08/76/42/396087642.db2.gz CHUQZBSXROGICF-ZCFIWIBFSA-N -1 0 321.118 0.965 10 0 DCAERM Cc1nc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)[O-])c[nH]1 ZINC000070418642 396101082 /nfs/dbraw/zinc/10/10/82/396101082.db2.gz QYLNUVYYFMPJFU-NSHDSACASA-N -1 0 307.331 0.923 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070555853 396102637 /nfs/dbraw/zinc/10/26/37/396102637.db2.gz XWPVXKSAHOCPFP-NXEZZACHSA-N -1 0 301.368 0.948 10 0 DCAERM CC(=O)NC[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCO1 ZINC000172233355 396129685 /nfs/dbraw/zinc/12/96/85/396129685.db2.gz GPDBTIFLAIKOHQ-SNVBAGLBSA-N -1 0 314.288 0.648 10 0 DCAERM Cc1cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])nn1C ZINC000263288483 396212050 /nfs/dbraw/zinc/21/20/50/396212050.db2.gz QGUJUFCNIIYXIK-NSHDSACASA-N -1 0 310.354 0.074 10 0 DCAERM COc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])cc1-n1cnnn1 ZINC000262933599 396193074 /nfs/dbraw/zinc/19/30/74/396193074.db2.gz KIGQSZRYBYVVNS-SECBINFHSA-N -1 0 319.321 0.654 10 0 DCAERM CCO[C@@H]1C[C@@](NC(=O)NCCCOC)(C(=O)[O-])C1(C)C ZINC000515747928 396508754 /nfs/dbraw/zinc/50/87/54/396508754.db2.gz HARGJLBXJVKKNS-QMTHXVAHSA-N -1 0 302.371 0.981 10 0 DCAERM C[C@H](CNc1cc(S(=O)(=O)N2CCCC2)ccn1)C(=O)[O-] ZINC000581432005 396554699 /nfs/dbraw/zinc/55/46/99/396554699.db2.gz FQWKXKPBNCMKMJ-SNVBAGLBSA-N -1 0 313.379 0.999 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000312733165 396766306 /nfs/dbraw/zinc/76/63/06/396766306.db2.gz WKFGGPUMFBTWOX-ZCFIWIBFSA-N -1 0 315.273 0.587 10 0 DCAERM O=C([O-])[C@@H]1CSCCN1C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000630495867 397032707 /nfs/dbraw/zinc/03/27/07/397032707.db2.gz XTUSCQOPHVOBAB-GARJFASQSA-N -1 0 300.380 0.766 10 0 DCAERM C[C@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000384250440 397279775 /nfs/dbraw/zinc/27/97/75/397279775.db2.gz KYSLUHVJUHJOEQ-JGVFFNPUSA-N -1 0 321.786 0.947 10 0 DCAERM C[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)[C@H](C)O1 ZINC000384920426 397282637 /nfs/dbraw/zinc/28/26/37/397282637.db2.gz PHZDBBNLIHYITA-YTWAJWBKSA-N -1 0 306.384 0.183 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)C(C)(C)O ZINC000394005516 397307345 /nfs/dbraw/zinc/30/73/45/397307345.db2.gz SKJNEDPTQGKNAK-ZCFIWIBFSA-N -1 0 308.381 0.367 10 0 DCAERM CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000408490715 397358290 /nfs/dbraw/zinc/35/82/90/397358290.db2.gz CNLXJTUWAYZVTK-UWVGGRQHSA-N -1 0 302.396 0.667 10 0 DCAERM CC[C@H](C)C[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000400379376 397319740 /nfs/dbraw/zinc/31/97/40/397319740.db2.gz KGVZBMYPFXBKPW-AXFHLTTASA-N -1 0 305.396 0.959 10 0 DCAERM CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2cc[n-]n2c1=O ZINC000606440306 397681218 /nfs/dbraw/zinc/68/12/18/397681218.db2.gz DGZAMQHYARZLGV-GXFFZTMASA-N -1 0 320.393 0.787 10 0 DCAERM Cn1nccc1S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000124159182 158238198 /nfs/dbraw/zinc/23/81/98/158238198.db2.gz JMCORIRWVQKEKR-UHFFFAOYSA-N -1 0 301.246 0.058 10 0 DCAERM Cn1nccc1S(=O)(=O)N1c2ccccc2C[C@H]1C(=O)[O-] ZINC000124118164 158238380 /nfs/dbraw/zinc/23/83/80/158238380.db2.gz OFOUQTMXHAKXEJ-NSHDSACASA-N -1 0 307.331 0.625 10 0 DCAERM O=C([O-])CCCCCNC(=O)CCN1CCCS1(=O)=O ZINC000261976140 158761269 /nfs/dbraw/zinc/76/12/69/158761269.db2.gz FZQYPFNPONWRNX-UHFFFAOYSA-N -1 0 306.384 0.173 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)COCCc2ccccc2)C1 ZINC000262150316 158779517 /nfs/dbraw/zinc/77/95/17/158779517.db2.gz NLOFDPVIPCSLBS-KBPBESRZSA-N -1 0 307.346 0.946 10 0 DCAERM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263040982 158853897 /nfs/dbraw/zinc/85/38/97/158853897.db2.gz DAHXJJYAGGMOPN-ZDUSSCGKSA-N -1 0 320.411 0.371 10 0 DCAERM CC(C)N(C)S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000367499636 159341551 /nfs/dbraw/zinc/34/15/51/159341551.db2.gz FPPXTYJLVQXSJP-MRVPVSSYSA-N -1 0 300.327 0.613 10 0 DCAERM COCCc1nsc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000376462620 159858799 /nfs/dbraw/zinc/85/87/99/159858799.db2.gz PZIHEJWJMACIME-QMMMGPOBSA-N -1 0 310.383 0.935 10 0 DCAERM Cc1[nH]nc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1C ZINC000408023694 160015080 /nfs/dbraw/zinc/01/50/80/160015080.db2.gz UXYAWXDLOIVVPA-UHFFFAOYSA-N -1 0 309.351 0.288 10 0 DCAERM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)C1 ZINC000408126304 160042826 /nfs/dbraw/zinc/04/28/26/160042826.db2.gz MRHVKHCXTAHXCJ-JQWIXIFHSA-N -1 0 316.423 0.927 10 0 DCAERM Cn1cc(Br)cc1C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408478395 160116867 /nfs/dbraw/zinc/11/68/67/160116867.db2.gz QPDFUEYTXYMNJQ-UHFFFAOYSA-N -1 0 323.168 0.246 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)cc1 ZINC000408477854 160117222 /nfs/dbraw/zinc/11/72/22/160117222.db2.gz PEPDCHMEPCGYEP-CQSZACIVSA-N -1 0 310.375 0.716 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408482717 160117969 /nfs/dbraw/zinc/11/79/69/160117969.db2.gz LECZTNKLTMUHCJ-QWRGUYRKSA-N -1 0 315.395 0.739 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cnn2c1CCC2 ZINC000408486265 160118361 /nfs/dbraw/zinc/11/83/61/160118361.db2.gz RXGKABFHJTVYNH-SNVBAGLBSA-N -1 0 313.379 0.458 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000408491527 160119098 /nfs/dbraw/zinc/11/90/98/160119098.db2.gz ATKQAKVIVCRCDH-ZDUSSCGKSA-N -1 0 318.439 0.733 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)nnn1C(C)C ZINC000408488475 160119100 /nfs/dbraw/zinc/11/91/00/160119100.db2.gz NUGCABSTGLEJCD-VIFPVBQESA-N -1 0 302.356 0.016 10 0 DCAERM CO[C@@]1(C(=O)[N-]S(=O)(=O)c2cnc(C)s2)CCOC1 ZINC000408487949 160119169 /nfs/dbraw/zinc/11/91/69/160119169.db2.gz XEATYQXVUZKSMI-JTQLQIEISA-N -1 0 306.365 0.062 10 0 DCAERM Cn1nc(C(=O)[N-]S(=O)(=O)c2cccnn2)c2c1CCCC2 ZINC000408497379 160119558 /nfs/dbraw/zinc/11/95/58/160119558.db2.gz IWYFAVAVPMPPBE-UHFFFAOYSA-N -1 0 321.362 0.208 10 0 DCAERM O=C([N-]S(=O)(=O)CCC1CCCCC1)[C@H]1CNC(=O)C1 ZINC000408499142 160119726 /nfs/dbraw/zinc/11/97/26/160119726.db2.gz NZGLAEPMBZODES-LLVKDONJSA-N -1 0 302.396 0.539 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(F)cn1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408505567 160120518 /nfs/dbraw/zinc/12/05/18/160120518.db2.gz ZQJQBOMHLFTVIR-GDPRMGEGSA-N -1 0 300.311 0.451 10 0 DCAERM Cc1nc(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)c[nH]1 ZINC000090932916 286935649 /nfs/dbraw/zinc/93/56/49/286935649.db2.gz CUJKFTHHBBZZQE-UHFFFAOYSA-N -1 0 302.337 0.351 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)[C@H]1C(=O)[O-] ZINC000300703464 287141193 /nfs/dbraw/zinc/14/11/93/287141193.db2.gz YTDNUWIQPXFYMY-POYBYMJQSA-N -1 0 307.759 0.557 10 0 DCAERM COc1cncc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000424364117 287305717 /nfs/dbraw/zinc/30/57/17/287305717.db2.gz CTKKXZNXQSQESP-CABZTGNLSA-N -1 0 314.363 0.964 10 0 DCAERM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccn2)cn1C ZINC000089266167 415523427 /nfs/dbraw/zinc/52/34/27/415523427.db2.gz UGRNCYLETBQLKX-UHFFFAOYSA-N -1 0 308.363 0.923 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000090622002 415530533 /nfs/dbraw/zinc/53/05/33/415530533.db2.gz ZMOOHCGETQSXNV-DCAQKATOSA-N -1 0 306.384 0.280 10 0 DCAERM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000120659919 415778317 /nfs/dbraw/zinc/77/83/17/415778317.db2.gz CTFRUUYRLJKDLV-GGZOMVNGSA-N -1 0 302.334 0.967 10 0 DCAERM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357062126 416028442 /nfs/dbraw/zinc/02/84/42/416028442.db2.gz VWLOGXLQERGBLW-VIFPVBQESA-N -1 0 323.401 0.427 10 0 DCAERM Cc1nc(C)c(S(=O)(=O)NC[C@@]2(CCO)CCOC2)s1 ZINC000179935457 416194154 /nfs/dbraw/zinc/19/41/54/416194154.db2.gz BBGSAGZBKLYLEV-GFCCVEGCSA-N -1 0 320.436 0.827 10 0 DCAERM CC(C)(NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(N)=O ZINC000180966208 416202005 /nfs/dbraw/zinc/20/20/05/416202005.db2.gz WAGZXNLLCLPESH-UHFFFAOYSA-N -1 0 306.297 0.711 10 0 DCAERM CCC[C@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)C(=O)[O-] ZINC000263445810 416338173 /nfs/dbraw/zinc/33/81/73/416338173.db2.gz QWEQAMDPLKVWEF-ZJUUUORDSA-N -1 0 307.354 0.932 10 0 DCAERM CO[C@H](C)CC(=O)N1CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000583623076 416479850 /nfs/dbraw/zinc/47/98/50/416479850.db2.gz LOGSEKPDONVJBZ-DGCLKSJQSA-N -1 0 314.382 0.726 10 0 DCAERM CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cn(CC)cn1 ZINC000515081918 416692307 /nfs/dbraw/zinc/69/23/07/416692307.db2.gz RERBCOJGYPNPPJ-VHSXEESVSA-N -1 0 301.368 0.777 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCCc3cccnc32)n[n-]1 ZINC000444822544 416873894 /nfs/dbraw/zinc/87/38/94/416873894.db2.gz LOYUUWDQUGGEQC-SECBINFHSA-N -1 0 321.362 0.662 10 0 DCAERM C[C@H]1CCC[C@H](OCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000522139940 417049263 /nfs/dbraw/zinc/04/92/63/417049263.db2.gz AVSQIWNZPGZZDT-IUCAKERBSA-N -1 0 316.383 0.742 10 0 DCAERM CC(C)(C)C(=O)NCCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000568056073 417074055 /nfs/dbraw/zinc/07/40/55/417074055.db2.gz XDACBFVDRNZHFZ-SNVBAGLBSA-N -1 0 323.397 0.769 10 0 DCAERM CCOC(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CC2)[nH]c1C ZINC000450958251 417286234 /nfs/dbraw/zinc/28/62/34/417286234.db2.gz IVRJQUWJJPRISW-UHFFFAOYSA-N -1 0 304.310 0.432 10 0 DCAERM CC(=O)N1CCC[C@H]1C(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000633689258 417478221 /nfs/dbraw/zinc/47/82/21/417478221.db2.gz IQEHZMDSRFRJCD-NSHDSACASA-N -1 0 324.406 0.803 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000530150044 417544287 /nfs/dbraw/zinc/54/42/87/417544287.db2.gz LQLAJOZHJASKBW-LBPRGKRZSA-N -1 0 303.311 0.690 10 0 DCAERM Cn1ncc(Br)c1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000634947839 417548960 /nfs/dbraw/zinc/54/89/60/417548960.db2.gz YQKFJRDDVGOLIN-WDSKDSINSA-N -1 0 302.128 0.520 10 0 DCAERM CC(=O)NC(C)(C)C(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000629099798 417743650 /nfs/dbraw/zinc/74/36/50/417743650.db2.gz BKUPOSTVILXFBB-UHFFFAOYSA-N -1 0 312.395 0.707 10 0 DCAERM CS(=O)(=O)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000663025371 417978669 /nfs/dbraw/zinc/97/86/69/417978669.db2.gz IONNWDDIGRCWJS-RNFRBKRXSA-N -1 0 317.285 0.143 10 0 DCAERM O=C([O-])C1(CNC(=O)NCCN2CCSCC2)CCC1 ZINC000230945293 545948189 /nfs/dbraw/zinc/94/81/89/545948189.db2.gz KFEQTJMWVJQUCF-UHFFFAOYSA-N -1 0 301.412 0.589 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1ccc(Br)o1 ZINC000392194478 262161056 /nfs/dbraw/zinc/16/10/56/262161056.db2.gz JOTZFFDDAGJQII-UHFFFAOYSA-N -1 0 302.084 0.691 10 0 DCAERM COC(=O)[C@H](N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C1(OC)CCC1 ZINC000459494320 271998903 /nfs/dbraw/zinc/99/89/03/271998903.db2.gz AMQADBHFSRVKJW-QWRGUYRKSA-N -1 0 324.381 0.800 10 0 DCAERM CC(=O)NCCN(C(=O)c1ccc(C)nc1C)[C@H](C)C(=O)[O-] ZINC000263165064 278107956 /nfs/dbraw/zinc/10/79/56/278107956.db2.gz PGLPNJGFICDMQC-LLVKDONJSA-N -1 0 307.350 0.750 10 0 DCAERM CCCSC[C@@H](NS(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000547921611 288092591 /nfs/dbraw/zinc/09/25/91/288092591.db2.gz FYKYQQPDPZGQPV-MRVPVSSYSA-N -1 0 307.397 0.593 10 0 DCAERM NC(=O)c1cccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000550157435 288211980 /nfs/dbraw/zinc/21/19/80/288211980.db2.gz BRJDKGWOAYTYGX-NSHDSACASA-N -1 0 315.333 0.629 10 0 DCAERM CCCc1nc(=NC(=O)CNC(=O)c2ccc(O)cc2)s[n-]1 ZINC000551050179 288222447 /nfs/dbraw/zinc/22/24/47/288222447.db2.gz BINGAKGNQNAFQZ-UHFFFAOYSA-N -1 0 320.374 0.987 10 0 DCAERM CCn1cncc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263238157 288748411 /nfs/dbraw/zinc/74/84/11/288748411.db2.gz RHMZRUHPAUFBIE-UWVGGRQHSA-N -1 0 301.368 0.777 10 0 DCAERM CN1CCO[C@@H]2CN(C(=O)c3cc(F)c(F)c([O-])c3F)C[C@@H]21 ZINC000366460313 290095806 /nfs/dbraw/zinc/09/58/06/290095806.db2.gz YLRIZWPPBOCGSX-VHSXEESVSA-N -1 0 316.279 0.965 10 0 DCAERM Cn1c2cccnc2n(Cc2ccc(C(=O)[O-])cc2)c(=O)c1=O ZINC000049454233 302903192 /nfs/dbraw/zinc/90/31/92/302903192.db2.gz JFRYPKGDGMRLQM-UHFFFAOYSA-N -1 0 311.297 0.842 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000583379331 332374308 /nfs/dbraw/zinc/37/43/08/332374308.db2.gz QLKXPCQCXGDJKR-GRYCIOLGSA-N -1 0 320.411 0.670 10 0 DCAERM C[C@@H]1C(=O)NCCCN1Cc1c([O-])nnn1-c1ccccc1 ZINC000190704823 336266012 /nfs/dbraw/zinc/26/60/12/336266012.db2.gz VUJVHRZJAJCWSS-LLVKDONJSA-N -1 0 301.350 0.683 10 0 DCAERM CC(C)[C@H](C(=O)[O-])[C@@H](C)NC(=O)N1CCS(=O)(=O)CC1 ZINC000399369643 337315868 /nfs/dbraw/zinc/31/58/68/337315868.db2.gz KCUGBVVLUSWBAA-ZJUUUORDSA-N -1 0 306.384 0.172 10 0 DCAERM Cc1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(C)s1 ZINC000037406546 337363424 /nfs/dbraw/zinc/36/34/24/337363424.db2.gz NWVPNXZALFFXMK-QMMMGPOBSA-N -1 0 320.392 0.362 10 0 DCAERM CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000262273415 517548311 /nfs/dbraw/zinc/54/83/11/517548311.db2.gz HKAXTGXBPQOTBI-SDDRHHMPSA-N -1 0 312.366 0.526 10 0 DCAERM CCC[C@H](CNC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000263155218 521100376 /nfs/dbraw/zinc/10/03/76/521100376.db2.gz JIHYDXPLSNKPLW-GFCCVEGCSA-N -1 0 317.349 0.957 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000237408495 524120606 /nfs/dbraw/zinc/12/06/06/524120606.db2.gz CYTVWHYZVIXEFT-GHMZBOCLSA-N -1 0 308.334 0.998 10 0 DCAERM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@](C)(O)C2)c1 ZINC000267250363 525308363 /nfs/dbraw/zinc/30/83/63/525308363.db2.gz GNUFSTGCTOJBSH-AWEZNQCLSA-N -1 0 312.391 0.963 10 0 DCAERM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 ZINC000062132596 545659869 /nfs/dbraw/zinc/65/98/69/545659869.db2.gz LTEVQYFLPGOWGG-QMMMGPOBSA-N -1 0 310.331 0.276 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCCC1)c1nc(C(=O)[O-])cs1 ZINC000090941467 545716948 /nfs/dbraw/zinc/71/69/48/545716948.db2.gz WDUPOXKEMPZRRX-ZETCQYMHSA-N -1 0 305.381 0.833 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC000252438556 545974917 /nfs/dbraw/zinc/97/49/17/545974917.db2.gz CVUDUSOJFMINIE-HBNTYKKESA-N -1 0 306.384 0.185 10 0 DCAERM CC(C)(C)OC(=O)NOC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC000675054197 547658093 /nfs/dbraw/zinc/65/80/93/547658093.db2.gz MKRXNVCBCVYHQE-UHFFFAOYSA-N -1 0 323.367 0.865 10 0 DCAERM C[C@H]1SCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000311786259 660915081 /nfs/dbraw/zinc/91/50/81/660915081.db2.gz ZEIMBHMESFIIQJ-VXNVDRBHSA-N -1 0 302.377 0.952 10 0 DCAERM CN(Cc1ccc(C(=O)[O-])o1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000724895771 657740285 /nfs/dbraw/zinc/74/02/85/657740285.db2.gz PCKJHLKATXJLLI-JTQLQIEISA-N -1 0 303.336 0.918 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCCC2CC=CC2)C1 ZINC000724214666 658062551 /nfs/dbraw/zinc/06/25/51/658062551.db2.gz WXODUXUWFJAZAT-LBPRGKRZSA-N -1 0 302.396 0.974 10 0 DCAERM CCS(=O)(=O)CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262537800 658195757 /nfs/dbraw/zinc/19/57/57/658195757.db2.gz KJIFASDQGVSPDN-ZETCQYMHSA-N -1 0 320.392 0.762 10 0 DCAERM CCCC(=O)NCC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000236712554 659098807 /nfs/dbraw/zinc/09/88/07/659098807.db2.gz INXZCGFCQZPVQN-CYBMUJFWSA-N -1 0 306.362 0.962 10 0 DCAERM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000048508994 661918397 /nfs/dbraw/zinc/91/83/97/661918397.db2.gz HPYLAPDHPKLOBQ-UHFFFAOYSA-N -1 0 309.347 0.823 10 0 DCAERM Cc1cc(N2CCC[C@H](NC(=O)NCCC(=O)[O-])C2)n(C)n1 ZINC000263322352 662675464 /nfs/dbraw/zinc/67/54/64/662675464.db2.gz ASFQKDNBSJESPA-NSHDSACASA-N -1 0 309.370 0.471 10 0 DCAERM C[C@H](O)[C@@H](NS(=O)(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000163220339 663452483 /nfs/dbraw/zinc/45/24/83/663452483.db2.gz SXKLTGKUIAYIKH-QPUJVOFHSA-N -1 0 310.331 0.347 10 0 DCAERM CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2nccnc2C(=O)[O-])C1 ZINC000223194322 664403797 /nfs/dbraw/zinc/40/37/97/664403797.db2.gz YJDRYKWIMOSISD-SNVBAGLBSA-N -1 0 320.349 0.552 10 0 DCAERM CO[C@@H](CNc1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000227286678 664531619 /nfs/dbraw/zinc/53/16/19/664531619.db2.gz FAUOHZQVHCNVLB-JTQLQIEISA-N -1 0 302.352 0.448 10 0 DCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H]1CSCCS1 ZINC000229582352 664605600 /nfs/dbraw/zinc/60/56/00/664605600.db2.gz TULLBQMRCFDCOE-LURJTMIESA-N -1 0 323.421 0.235 10 0 DCAERM O=C(NCCc1ccccc1Br)c1cc(=O)[nH][n-]1 ZINC000732280475 664911872 /nfs/dbraw/zinc/91/18/72/664911872.db2.gz IYUKGUMCEWRMCV-UHFFFAOYSA-N -1 0 310.151 0.984 10 0 DCAERM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnn2ccc(C)nc12 ZINC000153728601 664941630 /nfs/dbraw/zinc/94/16/30/664941630.db2.gz SWZJWBUGNJFSAT-UHFFFAOYSA-N -1 0 311.367 0.354 10 0 DCAERM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)C3CCCC3)cc21 ZINC000183662983 666089639 /nfs/dbraw/zinc/08/96/39/666089639.db2.gz WEMVSGZSQUOIRK-UHFFFAOYSA-N -1 0 308.363 0.971 10 0 DCAERM CN1CCN(C(=O)C2(C(=O)[O-])CCSCC2)CCC1=O ZINC000707446651 667439302 /nfs/dbraw/zinc/43/93/02/667439302.db2.gz WOJAQJMUJGPZHL-UHFFFAOYSA-N -1 0 300.380 0.275 10 0 DCAERM C[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)[C@@H]1CCCO1 ZINC000035216459 667465564 /nfs/dbraw/zinc/46/55/64/667465564.db2.gz ORWVTINEIZCYRX-PELKAZGASA-N -1 0 315.347 0.936 10 0 DCAERM CCc1ncnc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1F ZINC000886095482 667731810 /nfs/dbraw/zinc/73/18/10/667731810.db2.gz XTEDOCYJKKMNGD-HNNXBMFYSA-N -1 0 324.356 0.544 10 0 DCAERM O=C([O-])c1csc(CNC(=O)c2ccc3nncn3c2)n1 ZINC000124203347 667932497 /nfs/dbraw/zinc/93/24/97/667932497.db2.gz VPVQLZZGJOUDFF-UHFFFAOYSA-N -1 0 303.303 0.814 10 0 DCAERM C[C@@H](NC(=O)COCC(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000041072621 669822658 /nfs/dbraw/zinc/82/26/58/669822658.db2.gz MNGCLXNWGULSSZ-SECBINFHSA-N -1 0 315.347 0.369 10 0 DCAERM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)C2)c(C)c1 ZINC000190808284 669929329 /nfs/dbraw/zinc/92/93/29/669929329.db2.gz OUGIPDZOLIFQBU-LBPRGKRZSA-N -1 0 310.375 0.386 10 0 DCAERM COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000189843361 670165538 /nfs/dbraw/zinc/16/55/38/670165538.db2.gz GKPSJSQXNAGVDF-SSDOTTSWSA-N -1 0 311.310 0.236 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N[C@H]2C=CC[C@H](C(=O)[O-])C2)C1 ZINC000714177883 670179900 /nfs/dbraw/zinc/17/99/00/670179900.db2.gz ATCCHKZGQDNILA-WOPDTQHZSA-N -1 0 302.396 0.972 10 0 DCAERM CCCN(CCC)S(=O)(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715267412 670206731 /nfs/dbraw/zinc/20/67/31/670206731.db2.gz GXLLOQDKIWYPOE-RKDXNWHRSA-N -1 0 314.354 0.909 10 0 DCAERM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccn(C)c2C)cn1 ZINC000195029750 670466042 /nfs/dbraw/zinc/46/60/42/670466042.db2.gz PTNUPMISJCPBQG-UHFFFAOYSA-N -1 0 309.347 0.856 10 0 DCAERM COC(=O)[C@@H]1CCCN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000111597314 671265586 /nfs/dbraw/zinc/26/55/86/671265586.db2.gz OXKRVCVZTXEPJF-SNVBAGLBSA-N -1 0 315.329 0.948 10 0 DCAERM NC(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000037406231 672064923 /nfs/dbraw/zinc/06/49/23/672064923.db2.gz XJRLMBCSHRCNKA-ANYFNZRUSA-N -1 0 312.347 0.295 10 0 DCAERM CC1(C)[C@H](O)CCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000389176401 685257591 /nfs/dbraw/zinc/25/75/91/685257591.db2.gz JSVOAFFFHKKRJV-SECBINFHSA-N -1 0 305.377 0.980 10 0 DCAERM Cn1cc(S(=O)(=O)N[C@@H]2CSC2(C)C)cc1C(=O)[O-] ZINC000393818450 685265228 /nfs/dbraw/zinc/26/52/28/685265228.db2.gz NGITUOJLXRBZJF-SECBINFHSA-N -1 0 304.393 0.896 10 0 DCAERM CC[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCCO1 ZINC000394321627 685266280 /nfs/dbraw/zinc/26/62/80/685266280.db2.gz XZPILOAUPOGBQX-SECBINFHSA-N -1 0 302.352 0.903 10 0 DCAERM COCC[C@@H](NC(=O)NC[C@]1(OC)CCSC1)C(=O)[O-] ZINC000719232563 685309518 /nfs/dbraw/zinc/30/95/18/685309518.db2.gz ZHOMUSALRAJCSK-BXKDBHETSA-N -1 0 306.384 0.297 10 0 DCAERM COC1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000380367713 685236681 /nfs/dbraw/zinc/23/66/81/685236681.db2.gz PYBFTJXAPURPPO-UHFFFAOYSA-N -1 0 300.336 0.336 10 0 DCAERM O=C([O-])/C=C/CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000380183057 685236705 /nfs/dbraw/zinc/23/67/05/685236705.db2.gz BJKYMOPPXKMCKW-OWOJBTEDSA-N -1 0 300.292 0.655 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](CO)CC2)c[nH]1 ZINC000381242621 685239061 /nfs/dbraw/zinc/23/90/61/685239061.db2.gz SGYSSVIQPXMZPP-VIFPVBQESA-N -1 0 302.352 0.496 10 0 DCAERM CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000097060546 1175915520 /nfs/dbraw/zinc/91/55/20/1175915520.db2.gz CUKMXKJIDMCWJV-WDEREUQCSA-N -1 0 318.395 0.028 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCc2c(C)nn(C)c2C)C1 ZINC000237233093 1180867929 /nfs/dbraw/zinc/86/79/29/1180867929.db2.gz KDNRBEREIGBATR-WCQYABFASA-N -1 0 309.366 0.670 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC000262083842 1185160600 /nfs/dbraw/zinc/16/06/00/1185160600.db2.gz BNNSFZHWFMCCSU-WCQYABFASA-N -1 0 318.329 0.343 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC000262093193 1185162523 /nfs/dbraw/zinc/16/25/23/1185162523.db2.gz CZOPOQWFLVJTLB-QWHCGFSZSA-N -1 0 320.345 0.046 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](C)OC[C@@H]2CCCCO2)C1 ZINC000262157227 1185162821 /nfs/dbraw/zinc/16/28/21/1185162821.db2.gz OOVNKVVWPVZFOC-WUHRBBMRSA-N -1 0 315.366 0.661 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000262464349 1185168889 /nfs/dbraw/zinc/16/88/89/1185168889.db2.gz ITHPXCCCSSCKHT-UONOGXRCSA-N -1 0 320.345 0.637 10 0 DCAERM C[C@](O)(CNC(=O)c1cccc(N2CCCNC2=O)c1)C(=O)[O-] ZINC000262528215 1185168919 /nfs/dbraw/zinc/16/89/19/1185168919.db2.gz PAKZQAADZANSAP-HNNXBMFYSA-N -1 0 321.333 0.172 10 0 DCAERM CO[C@@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000263024566 1185175248 /nfs/dbraw/zinc/17/52/48/1185175248.db2.gz BGXJSLRMJDOJMH-QMMMGPOBSA-N -1 0 322.239 0.852 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-] ZINC000400426774 772692299 /nfs/dbraw/zinc/69/22/99/772692299.db2.gz FRYXOSCHTVNCMW-ZJUUUORDSA-N -1 0 309.384 0.748 10 0 DCAERM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000688588749 954631838 /nfs/dbraw/zinc/63/18/38/954631838.db2.gz CNMHVGRGYFUCKM-QMMMGPOBSA-N -1 0 303.380 0.427 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCCOC1 ZINC000689184287 954640834 /nfs/dbraw/zinc/64/08/34/954640834.db2.gz LGSOOWBMRLARQK-AXFHLTTASA-N -1 0 306.384 0.185 10 0 DCAERM C[S@@](=O)C1(CNC(=O)C2(C(=O)[O-])CCOCC2)CCC1 ZINC000689320998 954655140 /nfs/dbraw/zinc/65/51/40/954655140.db2.gz VSHOZHBBEQLFJE-HXUWFJFHSA-N -1 0 303.380 0.285 10 0 DCAERM O=C([O-])[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC000697967412 954837123 /nfs/dbraw/zinc/83/71/23/954837123.db2.gz CZFOTIWOKXVGPH-KOLCDFICSA-N -1 0 303.380 0.428 10 0 DCAERM COCC1=CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000689199302 968890343 /nfs/dbraw/zinc/89/03/43/968890343.db2.gz BQYYUAQXBJERIO-NSHDSACASA-N -1 0 304.368 0.059 10 0 DCAERM C[C@H](CC(F)(F)F)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689222967 968892034 /nfs/dbraw/zinc/89/20/34/968892034.db2.gz LCXMPTPTXFWLLS-RQJHMYQMSA-N -1 0 304.290 0.711 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@H](C)C1O ZINC000688064310 976165768 /nfs/dbraw/zinc/16/57/68/976165768.db2.gz QLCLZUUHEBDTHK-BQBZGAKWSA-N -1 0 304.324 0.010 10 0 DCAERM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 ZINC000062132597 545658395 /nfs/dbraw/zinc/65/83/95/545658395.db2.gz LTEVQYFLPGOWGG-MRVPVSSYSA-N -1 0 310.331 0.276 10 0 DCAERM CCCCCS(=O)(=O)CC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000262169360 282680692 /nfs/dbraw/zinc/68/06/92/282680692.db2.gz QEUNSAXYEHBRTP-GHMZBOCLSA-N -1 0 321.395 0.292 10 0 DCAERM Cc1cc(C)nc(-n2[n-]c3cc(=O)n(CCO)c(C)c3c2=O)n1 ZINC000072446098 191169424 /nfs/dbraw/zinc/16/94/24/191169424.db2.gz FVGHAABCNBIMHH-UHFFFAOYSA-N -1 0 315.333 0.188 10 0 DCAERM O=C([O-])Cn1c2ccccc2c(=O)n(C[C@@H]2CCCO2)c1=O ZINC000073658580 191338173 /nfs/dbraw/zinc/33/81/73/191338173.db2.gz AQOXKRWNJFIYPH-JTQLQIEISA-N -1 0 304.302 0.427 10 0 DCAERM COc1cc2c(cc1OC)n(CC(=O)[O-])c(=O)n(C(C)C)c2=O ZINC000073658630 191338270 /nfs/dbraw/zinc/33/82/70/191338270.db2.gz ALCWQXQEWGFZHV-UHFFFAOYSA-N -1 0 322.317 0.846 10 0 DCAERM Cn1cc(-c2ccccc2)c2c1c(=O)n(C)c(=O)n2CC(=O)[O-] ZINC000073667649 191340128 /nfs/dbraw/zinc/34/01/28/191340128.db2.gz QQRHZEONKQQSOD-UHFFFAOYSA-N -1 0 313.313 0.790 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cn1C ZINC000164856233 291247767 /nfs/dbraw/zinc/24/77/67/291247767.db2.gz SVGCORFVLWVGQB-JOYOIKCWSA-N -1 0 301.368 0.650 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164881797 291248313 /nfs/dbraw/zinc/24/83/13/291248313.db2.gz MSXULKBDEHIAQV-JOYOIKCWSA-N -1 0 301.368 0.948 10 0 DCAERM CCn1cc(S(=O)(=O)NC[C@H]2CCOC2)cc1C(=O)[O-] ZINC000037738094 182921667 /nfs/dbraw/zinc/92/16/67/182921667.db2.gz YRQKTMNRQIEQAK-SECBINFHSA-N -1 0 302.352 0.521 10 0 DCAERM COc1ccc(CNS(=O)(=O)CCC(=O)[O-])c(OC)c1 ZINC000057631462 184043026 /nfs/dbraw/zinc/04/30/26/184043026.db2.gz NQKLLAAGOUWBJC-UHFFFAOYSA-N -1 0 303.336 0.598 10 0 DCAERM O=C([O-])c1ccc(CN2CC(=O)N3CSC[C@@H]3C2=O)cc1 ZINC000021161032 304240928 /nfs/dbraw/zinc/24/09/28/304240928.db2.gz UKTUQKMJTHAUQS-LLVKDONJSA-N -1 0 306.343 0.629 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000013028361 395688374 /nfs/dbraw/zinc/68/83/74/395688374.db2.gz XBIWFFOLUXAXEQ-JQWIXIFHSA-N -1 0 313.331 0.098 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000021013278 395691538 /nfs/dbraw/zinc/69/15/38/395691538.db2.gz VHEVUGSIZWCEFT-LDYMZIIASA-N -1 0 301.320 0.002 10 0 DCAERM O=C([O-])[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000034266426 395718206 /nfs/dbraw/zinc/71/82/06/395718206.db2.gz GIRALEWNTWEAKH-WZYWGQKZSA-N -1 0 320.297 0.111 10 0 DCAERM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000044618209 395757092 /nfs/dbraw/zinc/75/70/92/395757092.db2.gz GUUKLTPCRREJCK-JTQLQIEISA-N -1 0 315.347 0.942 10 0 DCAERM COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000133261811 395929139 /nfs/dbraw/zinc/92/91/39/395929139.db2.gz CNCFIKLZTQSYAI-BDAKNGLRSA-N -1 0 315.347 0.861 10 0 DCAERM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000123840685 395897412 /nfs/dbraw/zinc/89/74/12/395897412.db2.gz DUSCVSQGCQGBSJ-VIFPVBQESA-N -1 0 302.327 0.295 10 0 DCAERM CC(C)(C)OC(=O)C[C@H](NC(=O)N1CCOCC1)C(=O)[O-] ZINC000127043703 395914363 /nfs/dbraw/zinc/91/43/63/395914363.db2.gz OKGAKZXOBKALPX-VIFPVBQESA-N -1 0 302.327 0.213 10 0 DCAERM O=C([O-])[C@H](CCc1ccccc1)NS(=O)(=O)c1c[nH]cn1 ZINC000128927521 395919114 /nfs/dbraw/zinc/91/91/14/395919114.db2.gz RYESZOBPLSILFM-NSHDSACASA-N -1 0 309.347 0.774 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cnc(C)s2)C1 ZINC000230107390 395878981 /nfs/dbraw/zinc/87/89/81/395878981.db2.gz KADOGXWNEPUVCJ-HTQZYQBOSA-N -1 0 306.365 0.314 10 0 DCAERM CC(=O)Oc1ccc(C[C@H](NC=O)C(=O)[O-])cc1OC(C)=O ZINC000059752882 395959848 /nfs/dbraw/zinc/95/98/48/395959848.db2.gz ASSCFFRLEQETDT-NSHDSACASA-N -1 0 309.274 0.279 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NC[C@@H](C)CC(=O)[O-] ZINC000147270739 395966664 /nfs/dbraw/zinc/96/66/64/395966664.db2.gz WFRFEWNNVCNWLD-ZETCQYMHSA-N -1 0 321.376 0.924 10 0 DCAERM COc1cc(C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)ccc1O ZINC000254869463 396032227 /nfs/dbraw/zinc/03/22/27/396032227.db2.gz JDQHAKNYMPBAMS-JTQLQIEISA-N -1 0 323.330 0.797 10 0 DCAERM COCCN(CCOC)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000165427416 396088903 /nfs/dbraw/zinc/08/89/03/396088903.db2.gz OHCKKGYHFDQSRW-BXUZGUMPSA-N -1 0 302.371 0.934 10 0 DCAERM O=C([O-])[C@H]1CCC[C@H](NC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000070572145 396102883 /nfs/dbraw/zinc/10/28/83/396102883.db2.gz BJMCEVNICSZPMN-UWVGGRQHSA-N -1 0 304.368 0.070 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070556202 396102970 /nfs/dbraw/zinc/10/29/70/396102970.db2.gz BIWAVVGYAKIKPO-VHSXEESVSA-N -1 0 307.368 0.502 10 0 DCAERM NC(=O)N1CCC[C@@H](C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000262214320 396111139 /nfs/dbraw/zinc/11/11/39/396111139.db2.gz JMTQLKLWYNRMJY-JRPNMDOOSA-N -1 0 309.366 0.490 10 0 DCAERM O=C([O-])[C@H]1O[C@@H](Oc2cccc3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O ZINC000071757399 396114454 /nfs/dbraw/zinc/11/44/54/396114454.db2.gz KEQWBZWOGRCILF-XSEXMBABSA-N -1 0 320.297 0.111 10 0 DCAERM C[C@H]1OCCN(S(=O)(=O)c2cccc(F)c2)[C@@H]1C(=O)[O-] ZINC000278640858 396136555 /nfs/dbraw/zinc/13/65/55/396136555.db2.gz IXRQXNARTLDYPN-KCJUWKMLSA-N -1 0 303.311 0.688 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)CNC(=O)COc1ccccc1 ZINC000262852003 396187984 /nfs/dbraw/zinc/18/79/84/396187984.db2.gz BWGDPGPITKTGKM-NSHDSACASA-N -1 0 308.334 0.551 10 0 DCAERM CN(C)c1ncccc1O[C@H]1CCN(C(=O)NCCC(=O)[O-])C1 ZINC000263386991 396215401 /nfs/dbraw/zinc/21/54/01/396215401.db2.gz PVTAAMAUAWOKSF-NSHDSACASA-N -1 0 322.365 0.785 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC000594674639 396496860 /nfs/dbraw/zinc/49/68/60/396496860.db2.gz ZDARVWNPTSTMTN-UHFFFAOYSA-N -1 0 305.352 0.209 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)c2cccc3[nH]ccc32)n[n-]1 ZINC000530704271 396581740 /nfs/dbraw/zinc/58/17/40/396581740.db2.gz WQLOOXMOHFYPPH-UHFFFAOYSA-N -1 0 305.319 0.942 10 0 DCAERM O=C([O-])CSCC(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000595252458 396571662 /nfs/dbraw/zinc/57/16/62/396571662.db2.gz ZBIDXPOIRMCRHF-ZETCQYMHSA-N -1 0 301.286 0.984 10 0 DCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCOCC12CCC2 ZINC000564921354 396898780 /nfs/dbraw/zinc/89/87/80/396898780.db2.gz WSVPSXRHIZJMNC-UHFFFAOYSA-N -1 0 301.324 0.052 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@H]1C ZINC000384461443 397281584 /nfs/dbraw/zinc/28/15/84/397281584.db2.gz KTLKCYBKKWQAQH-ZJUUUORDSA-N -1 0 307.368 0.455 10 0 DCAERM C/C=C/C[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000578955518 397505006 /nfs/dbraw/zinc/50/50/06/397505006.db2.gz BXRJMOUSDGWEFK-HMDXOVGESA-N -1 0 318.395 0.530 10 0 DCAERM COCC(=O)N(C)CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000263411092 292173788 /nfs/dbraw/zinc/17/37/88/292173788.db2.gz IXLHSLWMUCIQQH-WOPDTQHZSA-N -1 0 312.366 0.336 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262111478 286647109 /nfs/dbraw/zinc/64/71/09/286647109.db2.gz DYZHCNGKFCJHIA-NSHDSACASA-N -1 0 320.411 0.514 10 0 DCAERM CC[C@]1(C(=O)[O-])CCN(C(=O)N(CCOC)CCOC)C1 ZINC000062926237 158029901 /nfs/dbraw/zinc/02/99/01/158029901.db2.gz DHHSOIVDFZWFEK-AWEZNQCLSA-N -1 0 302.371 0.888 10 0 DCAERM O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccccc1F ZINC000123614922 158232069 /nfs/dbraw/zinc/23/20/69/158232069.db2.gz FVTWYVKRRUGBGX-LBPRGKRZSA-N -1 0 314.382 0.967 10 0 DCAERM CCC(CC)(CNC(=O)NC[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000165181960 158364367 /nfs/dbraw/zinc/36/43/67/158364367.db2.gz NCQGMOXLAJBHHO-NSHDSACASA-N -1 0 301.387 0.507 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)CCC(C)C)C1 ZINC000262159832 158779876 /nfs/dbraw/zinc/77/98/76/158779876.db2.gz OYIIVSBYQCEHBA-QWRGUYRKSA-N -1 0 300.355 0.239 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000263552417 158886190 /nfs/dbraw/zinc/88/61/90/158886190.db2.gz LUROIFNPTHGGDW-NEPJUHHUSA-N -1 0 306.366 0.874 10 0 DCAERM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000408318666 160084212 /nfs/dbraw/zinc/08/42/12/160084212.db2.gz ZZOBMYNZUGYLRG-BWZBUEFSSA-N -1 0 300.302 0.477 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cnn2c1CCCC2 ZINC000408399264 160100699 /nfs/dbraw/zinc/10/06/99/160100699.db2.gz GHQPDOMSYSYQFQ-SNVBAGLBSA-N -1 0 313.379 0.458 10 0 DCAERM CC[C@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408446818 160109989 /nfs/dbraw/zinc/10/99/89/160109989.db2.gz RCQMCXNRTADINY-WDEREUQCSA-N -1 0 315.395 0.739 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000408461744 160113888 /nfs/dbraw/zinc/11/38/88/160113888.db2.gz BGEFRVGCYROXQM-LLVKDONJSA-N -1 0 316.379 0.422 10 0 DCAERM CC(=O)[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)C2COC2)C1(C)C ZINC000408475587 160116363 /nfs/dbraw/zinc/11/63/63/160116363.db2.gz FXIDDCLJONDYGK-KOLCDFICSA-N -1 0 303.380 0.473 10 0 DCAERM Cc1ccc2c(c1)CC[C@H](C(=O)[N-]S(=O)(=O)C1COC1)O2 ZINC000408476768 160116883 /nfs/dbraw/zinc/11/68/83/160116883.db2.gz MOOFEAFFNRINDL-CYBMUJFWSA-N -1 0 311.359 0.533 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2OCC[C@@H]2C(C)C)cnn1C ZINC000408484263 160118197 /nfs/dbraw/zinc/11/81/97/160118197.db2.gz FAFZHLWKAUHKPW-ZYHUDNBSSA-N -1 0 315.395 0.595 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)O1 ZINC000408488232 160118965 /nfs/dbraw/zinc/11/89/65/160118965.db2.gz XPUMAUCOQVPWJM-RNCFNFMXSA-N -1 0 311.359 0.994 10 0 DCAERM CO[C@@]1(C(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)CCOC1 ZINC000408492268 160118983 /nfs/dbraw/zinc/11/89/83/160118983.db2.gz JODBZLJAEHMFND-BUCSNLDVSA-N -1 0 317.407 0.817 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)C[C@@H]1F ZINC000408495831 160119796 /nfs/dbraw/zinc/11/97/96/160119796.db2.gz FOYUJFSIJKSMGP-CMPLNLGQSA-N -1 0 301.295 0.968 10 0 DCAERM Cn1nccc1CNS(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000070140951 286909787 /nfs/dbraw/zinc/90/97/87/286909787.db2.gz ASFUMMCJNMTEGW-UHFFFAOYSA-N -1 0 315.376 0.587 10 0 DCAERM O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1cncc(F)c1 ZINC000092436408 286936949 /nfs/dbraw/zinc/93/69/49/286936949.db2.gz ZOCTYWQJVFODSO-UHFFFAOYSA-N -1 0 316.232 0.858 10 0 DCAERM Cc1ccc(S(=O)(=O)NC[C@H](C)CC(=O)[O-])cc1C(N)=O ZINC000147272680 287030204 /nfs/dbraw/zinc/03/02/04/287030204.db2.gz WALVHAVAAJHHLC-MRVPVSSYSA-N -1 0 314.363 0.483 10 0 DCAERM Cn1nccc1[C@@H](NS(=O)(=O)CCC(C)(C)C)C(=O)[O-] ZINC000402647662 287231834 /nfs/dbraw/zinc/23/18/34/287231834.db2.gz KRCDXAHMFHUTQY-SNVBAGLBSA-N -1 0 303.384 0.901 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043511606 415216884 /nfs/dbraw/zinc/21/68/84/415216884.db2.gz CCMXQQRDSKRDJV-JTQLQIEISA-N -1 0 305.381 0.265 10 0 DCAERM CC(C)Oc1cccnc1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000080034219 415473078 /nfs/dbraw/zinc/47/30/78/415473078.db2.gz OHMGRLBQKVDQHX-UHFFFAOYSA-N -1 0 305.338 0.643 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)C1 ZINC000090932998 415532107 /nfs/dbraw/zinc/53/21/07/415532107.db2.gz CLEZAURVQBBTNE-MRVPVSSYSA-N -1 0 319.408 0.908 10 0 DCAERM O=C([O-])CN(CC(F)(F)F)S(=O)(=O)N1CCCCC1 ZINC000092436318 415538323 /nfs/dbraw/zinc/53/83/23/415538323.db2.gz NLCXDHJKEGFPOS-UHFFFAOYSA-N -1 0 304.290 0.666 10 0 DCAERM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC(n2ccnn2)C1 ZINC000356917135 416004998 /nfs/dbraw/zinc/00/49/98/416004998.db2.gz NCIHVXRHZLWENS-UHFFFAOYSA-N -1 0 312.289 0.319 10 0 DCAERM Cc1onc(-c2ccncc2)c1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357041438 416025100 /nfs/dbraw/zinc/02/51/00/416025100.db2.gz FGRHVFFLEILYOC-UHFFFAOYSA-N -1 0 311.305 0.977 10 0 DCAERM C[C@@H](O)CN1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000186820056 416259038 /nfs/dbraw/zinc/25/90/38/416259038.db2.gz HWLWSAIJTOPVOM-SECBINFHSA-N -1 0 300.305 0.809 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCCC(=O)[O-] ZINC000263045616 416337399 /nfs/dbraw/zinc/33/73/99/416337399.db2.gz FJFREIOHDDXCJK-LLVKDONJSA-N -1 0 306.384 0.172 10 0 DCAERM Cc1sc(NCCN2CCCS2(=O)=O)nc1C(=O)[O-] ZINC000406020316 417127124 /nfs/dbraw/zinc/12/71/24/417127124.db2.gz ZNMPLSYXLGFOBA-UHFFFAOYSA-N -1 0 305.381 0.597 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408131419 417142935 /nfs/dbraw/zinc/14/29/35/417142935.db2.gz HJNAECIHOVHJKB-RKDXNWHRSA-N -1 0 317.367 0.575 10 0 DCAERM CS(=O)(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000526080907 417182288 /nfs/dbraw/zinc/18/22/88/417182288.db2.gz UFWWUTDQYSRQLH-VIFPVBQESA-N -1 0 322.180 0.994 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)CC[C@@H]1C(=O)[O-] ZINC000526944293 417192607 /nfs/dbraw/zinc/19/26/07/417192607.db2.gz VRIDXFJSUCWQJH-QWRGUYRKSA-N -1 0 320.411 0.385 10 0 DCAERM C/C=C/C[C@H](NS(=O)(=O)C1(COC)CC1)C(=O)OCC ZINC000451395756 417341094 /nfs/dbraw/zinc/34/10/94/417341094.db2.gz XBCPLUJHUMQQAA-MALLOTDXSA-N -1 0 305.396 0.983 10 0 DCAERM CC(C)Nc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1 ZINC000438939120 287376691 /nfs/dbraw/zinc/37/66/91/287376691.db2.gz XHVMFDFMYXNFPF-UHFFFAOYSA-N -1 0 324.366 0.676 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000530152913 417544835 /nfs/dbraw/zinc/54/48/35/417544835.db2.gz ZZSDSSPUVYVMOD-GFCCVEGCSA-N -1 0 306.384 0.139 10 0 DCAERM O=C([O-])C1(CNC(=O)NC[C@@H]2CCCOC2)CCOCC1 ZINC000166147170 545878125 /nfs/dbraw/zinc/87/81/25/545878125.db2.gz RXMTXDKCXZSZEH-NSHDSACASA-N -1 0 300.355 0.594 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000629335328 417780170 /nfs/dbraw/zinc/78/01/70/417780170.db2.gz SKDRQTYDEOMPFU-ZJUUUORDSA-N -1 0 308.425 0.608 10 0 DCAERM C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1c(Cl)cnn1C ZINC000227865828 261153050 /nfs/dbraw/zinc/15/30/50/261153050.db2.gz FDJBJVVJHLJECL-SSDOTTSWSA-N -1 0 309.775 0.853 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1ccncc1Br ZINC000395907729 262163207 /nfs/dbraw/zinc/16/32/07/262163207.db2.gz NOOBFKVDEJXNRN-UHFFFAOYSA-N -1 0 313.111 0.493 10 0 DCAERM COC(=O)[C@@H](N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C1(OC)CCC1 ZINC000459494321 271998505 /nfs/dbraw/zinc/99/85/05/271998505.db2.gz AMQADBHFSRVKJW-WDEREUQCSA-N -1 0 324.381 0.800 10 0 DCAERM CC1(C)NC(=O)CC[C@H]1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263401238 281388853 /nfs/dbraw/zinc/38/88/53/281388853.db2.gz SDSXJJRMHHONBJ-LYOVBCGYSA-N -1 0 323.393 0.940 10 0 DCAERM CN1CC[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1=O ZINC000178049665 290125015 /nfs/dbraw/zinc/12/50/15/290125015.db2.gz TUHHLLVSBIQDFG-OCCSQVGLSA-N -1 0 316.357 0.893 10 0 DCAERM CO[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)C(=O)[O-] ZINC000263154040 293540470 /nfs/dbraw/zinc/54/04/70/293540470.db2.gz XJKNNMABCCDSCL-QWRGUYRKSA-N -1 0 314.382 0.629 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3c2OCCO3)C1 ZINC000261709367 293864236 /nfs/dbraw/zinc/86/42/36/293864236.db2.gz OZESTKMFDRMAQQ-KOLCDFICSA-N -1 0 307.302 0.772 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 ZINC000263095357 293870808 /nfs/dbraw/zinc/87/08/08/293870808.db2.gz QSZZVIXZPKYGQA-OUAUKWLOSA-N -1 0 314.382 0.628 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@@H](C)OC[C@@H]2CCCO2)C1 ZINC000262998996 293931826 /nfs/dbraw/zinc/93/18/26/293931826.db2.gz KQANLYRTPQLAJO-FVCCEPFGSA-N -1 0 315.366 0.661 10 0 DCAERM COc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])ccc1OCC(N)=O ZINC000262080579 522132252 /nfs/dbraw/zinc/13/22/52/522132252.db2.gz AYAZNERUOOGCFF-VIFPVBQESA-N -1 0 324.333 0.542 10 0 DCAERM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])o1 ZINC000262079286 522279402 /nfs/dbraw/zinc/27/94/02/522279402.db2.gz AVLSRWMTGCHLJU-ZETCQYMHSA-N -1 0 304.324 0.171 10 0 DCAERM Cc1n[nH]cc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000119977476 526557629 /nfs/dbraw/zinc/55/76/29/526557629.db2.gz BXTXZIJOTKVTPL-UHFFFAOYSA-N -1 0 315.376 0.922 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCOCC1)c1nc(C(=O)[O-])cs1 ZINC000090941164 545716434 /nfs/dbraw/zinc/71/64/34/545716434.db2.gz GKSRRHKAJNPKQY-ZETCQYMHSA-N -1 0 321.380 0.069 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000722334263 660847643 /nfs/dbraw/zinc/84/76/43/660847643.db2.gz PKXRJLDTBCLKRS-MNOVXSKESA-N -1 0 306.384 0.185 10 0 DCAERM O=C([N-]S(=O)(=O)Cc1ccon1)c1n[nH]c2c1CCCC2 ZINC000177698289 658791114 /nfs/dbraw/zinc/79/11/14/658791114.db2.gz YOFXVEKLHGUIHZ-UHFFFAOYSA-N -1 0 310.335 0.536 10 0 DCAERM CCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@H]1C ZINC000110718712 659407513 /nfs/dbraw/zinc/40/75/13/659407513.db2.gz APYKYCDVYNRGMR-VIFPVBQESA-N -1 0 301.368 0.428 10 0 DCAERM C[C@@H]1CN(C(=O)N2CCC(OCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000111797943 659507373 /nfs/dbraw/zinc/50/73/73/659507373.db2.gz KYTWBMWIKUWZFT-PHIMTYICSA-N -1 0 300.355 0.781 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccnn2C)C1 ZINC000124136521 659652850 /nfs/dbraw/zinc/65/28/50/659652850.db2.gz KILQAFHQOKTCTA-LBPRGKRZSA-N -1 0 301.368 0.686 10 0 DCAERM CS(=O)(=O)c1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cc1 ZINC000312986198 659764278 /nfs/dbraw/zinc/76/42/78/659764278.db2.gz RNWSNBBBWXPKAO-NSCUHMNNSA-N -1 0 319.360 0.009 10 0 DCAERM O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)N3CCCCCC3)CC[C@@H]21 ZINC000721755896 661566659 /nfs/dbraw/zinc/56/66/59/661566659.db2.gz OXIGUMYDZRNMFY-QJPTWQEYSA-N -1 0 302.396 0.760 10 0 DCAERM C[C@@H](C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])S(C)(=O)=O ZINC000262086720 662046990 /nfs/dbraw/zinc/04/69/90/662046990.db2.gz FWHLKPNUIUNNLF-IUCAKERBSA-N -1 0 309.384 0.194 10 0 DCAERM O=C([O-])[C@]12CN(C(=O)c3cn4ccccc4n3)C[C@H]1COCC2 ZINC000262491460 662415780 /nfs/dbraw/zinc/41/57/80/662415780.db2.gz ZNXALZSEEJJRHT-MEDUHNTESA-N -1 0 315.329 0.898 10 0 DCAERM CC(C)C[C@H](CNC(=O)N1CC[C@@H](NC(N)=O)C1)C(=O)[O-] ZINC000263016231 662616100 /nfs/dbraw/zinc/61/61/00/662616100.db2.gz DDUDIECSFCMWSR-NXEZZACHSA-N -1 0 300.359 0.186 10 0 DCAERM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)[C@@H]1CNC(=O)C1 ZINC000171498765 664609246 /nfs/dbraw/zinc/60/92/46/664609246.db2.gz RFUSONZVVBGYNW-LBPRGKRZSA-N -1 0 320.370 0.556 10 0 DCAERM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCc1ccccc1O ZINC000730590710 664795777 /nfs/dbraw/zinc/79/57/77/664795777.db2.gz SVOICMXXRSQZTG-UHFFFAOYSA-N -1 0 313.317 0.136 10 0 DCAERM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000731290410 664852828 /nfs/dbraw/zinc/85/28/28/664852828.db2.gz JWAWJCIOBAURDE-UHFFFAOYSA-N -1 0 311.425 0.590 10 0 DCAERM Cc1cc(C)n(CC(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)n1 ZINC000864145709 667219068 /nfs/dbraw/zinc/21/90/68/667219068.db2.gz PWKJYUOKYJEVCJ-CYBMUJFWSA-N -1 0 309.366 0.744 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@H]2CCSC2)C1 ZINC000704922700 667267472 /nfs/dbraw/zinc/26/74/72/667267472.db2.gz KZKWGKQYEFVHIR-WDEREUQCSA-N -1 0 322.452 0.761 10 0 DCAERM O=C([O-])C1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CCC1 ZINC000708830938 667443733 /nfs/dbraw/zinc/44/37/33/667443733.db2.gz PQZSQEGJHAQZTP-ZJUUUORDSA-N -1 0 301.364 0.419 10 0 DCAERM COCCS(=O)(=O)[N-]C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187418481 669302743 /nfs/dbraw/zinc/30/27/43/669302743.db2.gz IFXPWUZSTDKRNP-UHFFFAOYSA-N -1 0 308.359 0.682 10 0 DCAERM CCOCCCNC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1 ZINC000193523487 670292834 /nfs/dbraw/zinc/29/28/34/670292834.db2.gz DRTCWVXZZSOMDL-ZDUSSCGKSA-N -1 0 300.318 0.819 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)C1 ZINC000111800855 670513598 /nfs/dbraw/zinc/51/35/98/670513598.db2.gz MPDYTEHJZMCFHK-NSHDSACASA-N -1 0 320.411 0.529 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CCO1 ZINC000720406573 685313511 /nfs/dbraw/zinc/31/35/11/685313511.db2.gz BURSRJWVOJMTQR-VIFPVBQESA-N -1 0 300.336 0.579 10 0 DCAERM Cc1ccc(O[C@H](C)C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000261931156 1185159532 /nfs/dbraw/zinc/15/95/32/1185159532.db2.gz SUFZSUDDFUDXJA-LLVKDONJSA-N -1 0 318.333 0.755 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCc2nc(C(C)C)no2)C1 ZINC000262142151 1185162059 /nfs/dbraw/zinc/16/20/59/1185162059.db2.gz MESHSFGZRYVYDG-UWVGGRQHSA-N -1 0 311.338 0.826 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000262464338 1185168441 /nfs/dbraw/zinc/16/84/41/1185168441.db2.gz ITHPXCCCSSCKHT-KGLIPLIRSA-N -1 0 320.345 0.637 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000262547800 1185169983 /nfs/dbraw/zinc/16/99/83/1185169983.db2.gz RYSRNSGQJPVQGN-DGCLKSJQSA-N -1 0 316.317 0.581 10 0 DCAERM CNC(=O)c1cccc(CCC(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000262845234 1185174043 /nfs/dbraw/zinc/17/40/43/1185174043.db2.gz DUJOTJIFLGRNCJ-GFCCVEGCSA-N -1 0 308.334 0.195 10 0 DCAERM CO[C@@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1)C(=O)[O-] ZINC000262937147 1185174153 /nfs/dbraw/zinc/17/41/53/1185174153.db2.gz YTDMWVFMUNAPHK-KGLIPLIRSA-N -1 0 322.361 0.778 10 0 DCAERM CO[C@H](CNC(=O)c1nnn(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC000263134642 1185177072 /nfs/dbraw/zinc/17/70/72/1185177072.db2.gz UEMANKUDAMLKQS-GFCCVEGCSA-N -1 0 318.333 0.714 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000263558693 1185179777 /nfs/dbraw/zinc/17/97/77/1185179777.db2.gz PVFLEUYQMIRRCP-TUAOUCFPSA-N -1 0 306.366 0.874 10 0 DCAERM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000688588747 954631769 /nfs/dbraw/zinc/63/17/69/954631769.db2.gz CNMHVGRGYFUCKM-MRVPVSSYSA-N -1 0 303.380 0.427 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000694646859 954779443 /nfs/dbraw/zinc/77/94/43/954779443.db2.gz VWCFPUISKNCYKG-MFKMUULPSA-N -1 0 303.380 0.667 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000694646855 954779524 /nfs/dbraw/zinc/77/95/24/954779524.db2.gz VWCFPUISKNCYKG-GXFFZTMASA-N -1 0 303.380 0.667 10 0 DCAERM CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(C(=O)[O-])s1 ZINC000699962185 968976775 /nfs/dbraw/zinc/97/67/75/968976775.db2.gz XMVWZAHAOPGKQH-IUCAKERBSA-N -1 0 305.377 0.348 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000687072804 976131384 /nfs/dbraw/zinc/13/13/84/976131384.db2.gz WBYGXWBHRQDJKO-GFCCVEGCSA-N -1 0 301.368 0.948 10 0 DCAERM C/C(=C/CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000692446583 976483002 /nfs/dbraw/zinc/48/30/02/976483002.db2.gz RRKSHEZBEOYZLS-BSKOKIOFSA-N -1 0 304.368 0.236 10 0 DCAERM CC(=O)N[C@@H](C[S@@](=O)Cc1nc(C)sc1C)C(=O)[O-] ZINC000692668856 976532864 /nfs/dbraw/zinc/53/28/64/976532864.db2.gz WNMWEPUAAILFFM-OVWNDWIMSA-N -1 0 304.393 0.598 10 0 DCAERM CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211282 976682055 /nfs/dbraw/zinc/68/20/55/976682055.db2.gz YXXMQBAKSRIKDF-ZETCQYMHSA-N -1 0 304.324 0.123 10 0 DCAERM O=C([O-])C1=CC[C@@H](NC(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000694956948 976756405 /nfs/dbraw/zinc/75/64/05/976756405.db2.gz YRCONSDQGXRGDL-ZJUUUORDSA-N -1 0 302.352 0.036 10 0 DCAERM COC(=O)CC[C@@H](NC(=O)c1cnc(Cl)n1C)C(=O)[O-] ZINC000696533512 976818541 /nfs/dbraw/zinc/81/85/41/976818541.db2.gz YGYCKJVOWLVAGT-ZCFIWIBFSA-N -1 0 303.702 0.210 10 0 DCAERM O=C([O-])[C@@H]1CN(CCS(=O)(=O)C2CCCCC2)CCO1 ZINC000699996738 976931358 /nfs/dbraw/zinc/93/13/58/976931358.db2.gz GHLYADUBYXTLPW-LBPRGKRZSA-N -1 0 305.396 0.519 10 0 DCAERM CSc1nc2nc(C)c3c(ccn(CC(=O)[O-])c3=O)n2n1 ZINC000072449665 191169687 /nfs/dbraw/zinc/16/96/87/191169687.db2.gz RVKMUFCKYKIRQQ-UHFFFAOYSA-N -1 0 305.319 0.554 10 0 DCAERM CCCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)[O-])c1=O ZINC000073658627 191337722 /nfs/dbraw/zinc/33/77/22/191337722.db2.gz VVFIKUBYYIVMMA-UHFFFAOYSA-N -1 0 322.317 0.675 10 0 DCAERM O=C([O-])Cn1c2ccsc2c(=O)n(C[C@H]2CCCO2)c1=O ZINC000073661161 191337759 /nfs/dbraw/zinc/33/77/59/191337759.db2.gz OCMJTVYJWZXUIX-MRVPVSSYSA-N -1 0 310.331 0.488 10 0 DCAERM CC[C@@H]1CCCCN1c1ccn2c(nn(CC(=O)[O-])c2=O)n1 ZINC000073668317 191340836 /nfs/dbraw/zinc/34/08/36/191340836.db2.gz DTFWOPKNXYYTCZ-SNVBAGLBSA-N -1 0 305.338 0.745 10 0 DCAERM O=C([O-])c1cn(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)cn1 ZINC000073736121 191349622 /nfs/dbraw/zinc/34/96/22/191349622.db2.gz LGFHNQQDOGCWOK-UHFFFAOYSA-N -1 0 320.286 0.055 10 0 DCAERM O=C([O-])[C@]1(C(F)(F)F)CCN(S(=O)(=O)NC2CC2)C1 ZINC000159689452 291236156 /nfs/dbraw/zinc/23/61/56/291236156.db2.gz ICJXHKUPBSHNNL-QMMMGPOBSA-N -1 0 302.274 0.322 10 0 DCAERM Cc1n[n-]c(N/N=c2\c3cccc4cccc(c2=O)c34)nc1=O ZINC000006210928 181319851 /nfs/dbraw/zinc/31/98/51/181319851.db2.gz WJCDLUWWZHBMJJ-CPNJWEJPSA-N -1 0 305.297 0.943 10 0 DCAERM O=C([O-])CN1C(=O)C[C@H](SCC(=O)Nc2ccccc2)C1=O ZINC000024115854 182376058 /nfs/dbraw/zinc/37/60/58/182376058.db2.gz ISNZFLRCRIMPLP-JTQLQIEISA-N -1 0 322.342 0.570 10 0 DCAERM CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000036838255 182847548 /nfs/dbraw/zinc/84/75/48/182847548.db2.gz YVBOSCLNSQYGFP-LLVKDONJSA-N -1 0 312.347 0.713 10 0 DCAERM COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000042510375 183278955 /nfs/dbraw/zinc/27/89/55/183278955.db2.gz JNSIGYQIHZGPHD-ZETCQYMHSA-N -1 0 309.365 0.074 10 0 DCAERM C[C@H](CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000042703069 183298539 /nfs/dbraw/zinc/29/85/39/183298539.db2.gz IGVXUBBKPMQRGN-MRVPVSSYSA-N -1 0 312.347 0.522 10 0 DCAERM NC(=O)CCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000104849732 194046817 /nfs/dbraw/zinc/04/68/17/194046817.db2.gz GMMVYGYNFCSECA-UHFFFAOYSA-N -1 0 306.297 0.712 10 0 DCAERM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(C)C[C@@H]1CCCO1 ZINC000104885564 194049941 /nfs/dbraw/zinc/04/99/41/194049941.db2.gz OSNJFOVSJDNHBG-LBPRGKRZSA-N -1 0 318.377 0.819 10 0 DCAERM CC[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842220 184056604 /nfs/dbraw/zinc/05/66/04/184056604.db2.gz YQJMCVPXPBCSFP-AWEZNQCLSA-N -1 0 306.274 0.657 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085327575 395699724 /nfs/dbraw/zinc/69/97/24/395699724.db2.gz RVWRMHCQMGSXGU-WDEREUQCSA-N -1 0 315.395 0.959 10 0 DCAERM Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000040396286 395733921 /nfs/dbraw/zinc/73/39/21/395733921.db2.gz MXFHUELOABDHRK-UWVGGRQHSA-N -1 0 319.766 0.857 10 0 DCAERM O=C([O-])[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000106384326 395782841 /nfs/dbraw/zinc/78/28/41/395782841.db2.gz GIRALEWNTWEAKH-XSEXMBABSA-N -1 0 320.297 0.111 10 0 DCAERM Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000130813351 395923393 /nfs/dbraw/zinc/92/33/93/395923393.db2.gz GTZYQUGXRCRABX-LBPRGKRZSA-N -1 0 309.347 0.833 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000130822901 395924123 /nfs/dbraw/zinc/92/41/23/395924123.db2.gz KSHMBTHQQHBTDO-KOLCDFICSA-N -1 0 316.383 0.112 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)s1 ZINC000130829460 395924146 /nfs/dbraw/zinc/92/41/46/395924146.db2.gz JEAPZYUHZWSCIJ-JTQLQIEISA-N -1 0 315.376 0.894 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C[C@H](C)O1 ZINC000228496595 395872032 /nfs/dbraw/zinc/87/20/32/395872032.db2.gz APWJEHAGIGTOHO-OUAUKWLOSA-N -1 0 322.427 0.819 10 0 DCAERM CC(C)(C)CCS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000230012485 395877431 /nfs/dbraw/zinc/87/74/31/395877431.db2.gz CHKJVFMRGHMPMY-SNVBAGLBSA-N -1 0 303.384 0.761 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCCN(C)C1 ZINC000134693113 395933652 /nfs/dbraw/zinc/93/36/52/395933652.db2.gz OLVTYUMBKPYTQT-MRVPVSSYSA-N -1 0 319.408 0.302 10 0 DCAERM CCOCCS(=O)(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000063153637 395974951 /nfs/dbraw/zinc/97/49/51/395974951.db2.gz UMXFFZIWYPQSEP-GFCCVEGCSA-N -1 0 315.347 0.705 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000262129347 396102008 /nfs/dbraw/zinc/10/20/08/396102008.db2.gz KFOLYUFOXIAMLE-VIFPVBQESA-N -1 0 304.302 0.652 10 0 DCAERM O=C([O-])Cn1ncn2nc(-c3cc(F)cc(F)c3)cc2c1=O ZINC000070459488 396102370 /nfs/dbraw/zinc/10/23/70/396102370.db2.gz ZMTKYIHPGWERRN-UHFFFAOYSA-N -1 0 306.228 0.921 10 0 DCAERM CNC(=O)c1cccc(CCC(=O)N[C@H](CCOC)C(=O)[O-])c1 ZINC000262256074 396115745 /nfs/dbraw/zinc/11/57/45/396115745.db2.gz CTGIYELRBUBOKA-CYBMUJFWSA-N -1 0 322.361 0.585 10 0 DCAERM Cc1ccc(NC(=O)CN(C)S(C)(=O)=O)c(C(=O)[O-])c1 ZINC000262328548 396124591 /nfs/dbraw/zinc/12/45/91/396124591.db2.gz XPLFGLPKXGPXBA-UHFFFAOYSA-N -1 0 300.336 0.523 10 0 DCAERM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000263349124 396214985 /nfs/dbraw/zinc/21/49/85/396214985.db2.gz PGIJYMRRMWFKBB-WDEREUQCSA-N -1 0 305.334 0.381 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC000594673406 396496293 /nfs/dbraw/zinc/49/62/93/396496293.db2.gz QCFHDQDOYQFCLG-UHFFFAOYSA-N -1 0 305.352 0.209 10 0 DCAERM CO[C@H]1CN(C(=O)c2c(Cl)cnn2C)[C@@](C)(C(=O)[O-])C1 ZINC000630314674 396982268 /nfs/dbraw/zinc/98/22/68/396982268.db2.gz CQJVVKDRFISGGF-JMCQJSRRSA-N -1 0 301.730 0.778 10 0 DCAERM CCn1cc(S(=O)(=O)N2CC(C)(C)[C@H]2C(=O)[O-])nc1C ZINC000630426194 397018366 /nfs/dbraw/zinc/01/83/66/397018366.db2.gz DXMVIBLAOYJVTQ-SNVBAGLBSA-N -1 0 301.368 0.695 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@@H]1C ZINC000384364723 397280050 /nfs/dbraw/zinc/28/00/50/397280050.db2.gz GJBFRHOCJOACHE-VHSXEESVSA-N -1 0 307.368 0.455 10 0 DCAERM Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])[C@@H]2C)cnn1C ZINC000384488842 397281463 /nfs/dbraw/zinc/28/14/63/397281463.db2.gz SEDVQGKLRIQDNI-WCBMZHEXSA-N -1 0 301.368 0.602 10 0 DCAERM CCOCCO[C@H](C)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262323279 286113205 /nfs/dbraw/zinc/11/32/05/286113205.db2.gz DAVYYAXULSNKEY-TYNCELHUSA-N -1 0 315.366 0.378 10 0 DCAERM CC(C)C[C@H](CNS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000262500334 158819883 /nfs/dbraw/zinc/81/98/83/158819883.db2.gz XZFSKPCPTKFNQW-SNVBAGLBSA-N -1 0 315.395 0.855 10 0 DCAERM CC[C@H](C)[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C(=O)[O-] ZINC000262563366 158824530 /nfs/dbraw/zinc/82/45/30/158824530.db2.gz ZFTHXYWHUQXUCQ-GXSJLCMTSA-N -1 0 308.400 0.274 10 0 DCAERM CC(C)C[C@@H](CNC(=O)NCc1ccc(C(N)=O)o1)C(=O)[O-] ZINC000263018844 158853747 /nfs/dbraw/zinc/85/37/47/158853747.db2.gz DQYJPHMPXSIMJC-VIFPVBQESA-N -1 0 311.338 0.925 10 0 DCAERM CN(Cc1ccccc1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000277555284 158956482 /nfs/dbraw/zinc/95/64/82/158956482.db2.gz ZENAQOUNDGAZLS-UHFFFAOYSA-N -1 0 303.322 0.818 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408133499 160044420 /nfs/dbraw/zinc/04/44/20/160044420.db2.gz OZOGUNOZUCLKKJ-IJLUTSLNSA-N -1 0 305.396 0.817 10 0 DCAERM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)c1 ZINC000408205524 160060072 /nfs/dbraw/zinc/06/00/72/160060072.db2.gz KISNKGNVOXUAKM-LBPRGKRZSA-N -1 0 316.354 0.270 10 0 DCAERM Cc1[nH]nc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c1C ZINC000408444777 160109637 /nfs/dbraw/zinc/10/96/37/160109637.db2.gz WBWBZDOMFZUICH-SNVBAGLBSA-N -1 0 301.368 0.655 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)C2CCC(=O)CC2)nc1C ZINC000408449276 160110054 /nfs/dbraw/zinc/11/00/54/160110054.db2.gz FQBXGNASOPLVOW-UHFFFAOYSA-N -1 0 313.379 0.776 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1ccc2c(c1)CCC(=O)N2 ZINC000408475319 160116056 /nfs/dbraw/zinc/11/60/56/160116056.db2.gz DAYOYKYAWZJLIP-UHFFFAOYSA-N -1 0 310.331 0.030 10 0 DCAERM O=C(Cc1ccc2c(c1)CCCC2)[N-]S(=O)(=O)C1COC1 ZINC000408475362 160116295 /nfs/dbraw/zinc/11/62/95/160116295.db2.gz DIECDMSWNINVRM-UHFFFAOYSA-N -1 0 309.387 0.953 10 0 DCAERM Cc1nn(C)c2sc(C(=O)[N-]S(=O)(=O)C3COC3)cc12 ZINC000408479575 160117642 /nfs/dbraw/zinc/11/76/42/160117642.db2.gz UIMGWKOWAYTSDZ-UHFFFAOYSA-N -1 0 315.376 0.402 10 0 DCAERM O=C([N-]S(=O)(=O)CC1CCC1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000408485034 160118572 /nfs/dbraw/zinc/11/85/72/160118572.db2.gz GLORTBPITMJYSJ-SNVBAGLBSA-N -1 0 313.379 0.773 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)O1 ZINC000408488234 160118884 /nfs/dbraw/zinc/11/88/84/160118884.db2.gz XPUMAUCOQVPWJM-ZANVPECISA-N -1 0 311.359 0.994 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CCO[C@H]2C(C)C)cn1C ZINC000408495503 160119644 /nfs/dbraw/zinc/11/96/44/160119644.db2.gz FZBYZSGVNBIVGI-PWSUYJOCSA-N -1 0 315.395 0.595 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)[C@H]2CCO[C@@H]2C(C)C)cn1C ZINC000408495499 160119688 /nfs/dbraw/zinc/11/96/88/160119688.db2.gz FZBYZSGVNBIVGI-CMPLNLGQSA-N -1 0 315.395 0.595 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cncc(Cl)c1 ZINC000408497940 160119795 /nfs/dbraw/zinc/11/97/95/160119795.db2.gz SEGJGLOAUMXWPR-SNVBAGLBSA-N -1 0 304.755 0.974 10 0 DCAERM C[C@]1(CC(=O)[N-]S(=O)(=O)C2COC2)CC1(Cl)Cl ZINC000408497589 160119818 /nfs/dbraw/zinc/11/98/18/160119818.db2.gz RQTOPISOPXRMPM-QMMMGPOBSA-N -1 0 302.179 0.805 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408500241 160120272 /nfs/dbraw/zinc/12/02/72/160120272.db2.gz PNFADPRGMBKEOS-MROQNXINSA-N -1 0 316.423 0.342 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2OCC[C@@H]2C(C)C)cn1C ZINC000408502353 160120440 /nfs/dbraw/zinc/12/04/40/160120440.db2.gz QTJIHDBWXWRHRH-ZYHUDNBSSA-N -1 0 315.395 0.595 10 0 DCAERM CC[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)CC(=O)[O-] ZINC000147370870 287030238 /nfs/dbraw/zinc/03/02/38/287030238.db2.gz CHGDYGOZEXQUFN-SECBINFHSA-N -1 0 314.363 0.565 10 0 DCAERM C[C@H](CCC(=O)[O-])CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251635677 287119492 /nfs/dbraw/zinc/11/94/92/287119492.db2.gz ISVFZSIRJWAUCH-GMTAPVOTSA-N -1 0 308.400 0.431 10 0 DCAERM Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357070580 416030362 /nfs/dbraw/zinc/03/03/62/416030362.db2.gz DJHDAEUMGFITLI-UHFFFAOYSA-N -1 0 314.309 0.316 10 0 DCAERM O=C(NN1CC(=O)NC1=O)c1ccc(N2CCCCC2)cc1 ZINC000175278452 416101055 /nfs/dbraw/zinc/10/10/55/416101055.db2.gz KSDRMFAAEWXYBO-UHFFFAOYSA-N -1 0 302.334 0.874 10 0 DCAERM CNC(=O)[C@@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(C)C ZINC000178923983 416177691 /nfs/dbraw/zinc/17/76/91/416177691.db2.gz XGYVSONXNUWXHK-LBPRGKRZSA-N -1 0 316.427 0.588 10 0 DCAERM O=C(NC[C@@H]1CN2CCN1CC2)c1cc(F)c(F)c([O-])c1F ZINC000183403622 416239711 /nfs/dbraw/zinc/23/97/11/416239711.db2.gz IRAXSYULBOCLOV-MRVPVSSYSA-N -1 0 315.295 0.539 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)CCC(=O)[O-] ZINC000263075433 416337311 /nfs/dbraw/zinc/33/73/11/416337311.db2.gz KGPIKMRIULILAM-GFCCVEGCSA-N -1 0 320.411 0.514 10 0 DCAERM O=C([O-])c1cn(CC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)nn1 ZINC000263562427 416338404 /nfs/dbraw/zinc/33/84/04/416338404.db2.gz CTTAQVMETPGVMC-SMDDNHRTSA-N -1 0 316.317 0.623 10 0 DCAERM CC[C@H]1C[C@@H](CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCO1 ZINC000359493438 416348138 /nfs/dbraw/zinc/34/81/38/416348138.db2.gz BUWZCEFJDJUIFI-IUCAKERBSA-N -1 0 316.383 0.742 10 0 DCAERM CCc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(O)c1 ZINC000436853908 416570927 /nfs/dbraw/zinc/57/09/27/416570927.db2.gz DKSKGPIGADDUIK-UHFFFAOYSA-N -1 0 310.335 0.729 10 0 DCAERM O=C(Cn1cc2ccccc2n1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000539326133 416577497 /nfs/dbraw/zinc/57/74/97/416577497.db2.gz KKPUESJJACZQQS-LBPRGKRZSA-N -1 0 311.349 0.956 10 0 DCAERM CN(Cc1nnnn1C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000542655858 416627073 /nfs/dbraw/zinc/62/70/73/416627073.db2.gz MZVFSZIEVFWPQI-UHFFFAOYSA-N -1 0 301.228 0.605 10 0 DCAERM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CCS1(=O)=O ZINC000186823308 296913081 /nfs/dbraw/zinc/91/30/81/296913081.db2.gz JUBNZYNFAGYYKB-SSDOTTSWSA-N -1 0 305.302 0.930 10 0 DCAERM CN(CCCO)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000451652699 417375064 /nfs/dbraw/zinc/37/50/64/417375064.db2.gz QIADHHXHQCBQLK-UHFFFAOYSA-N -1 0 322.333 0.084 10 0 DCAERM CO[C@H]1CN(S(=O)(=O)c2cnc(C)s2)[C@](C)(C(=O)[O-])C1 ZINC000629309944 417777655 /nfs/dbraw/zinc/77/76/55/417777655.db2.gz NSIJKLRRUDCEFE-KCJUWKMLSA-N -1 0 320.392 0.704 10 0 DCAERM COC(=O)CC[C@H](NC(=O)N(C)CC(F)(F)F)C(=O)[O-] ZINC000234543976 261153969 /nfs/dbraw/zinc/15/39/69/261153969.db2.gz VVUYIULRFOLJKW-LURJTMIESA-N -1 0 300.233 0.597 10 0 DCAERM C[C@@H](CN(C)C(=O)C(=O)c1cnn(C(C)(C)C)c1)c1nnn[n-]1 ZINC000358384261 271050766 /nfs/dbraw/zinc/05/07/66/271050766.db2.gz LATOXTCQHMOJCC-VIFPVBQESA-N -1 0 319.369 0.596 10 0 DCAERM CC(C)(C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000262197341 278270326 /nfs/dbraw/zinc/27/03/26/278270326.db2.gz GUSZFZYMHUVYJU-TVQRCGJNSA-N -1 0 303.380 0.523 10 0 DCAERM Cc1nc2ncnn2c(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1C ZINC000550737725 288218994 /nfs/dbraw/zinc/21/89/94/288218994.db2.gz QRMDCKOKKHGIEU-SNVBAGLBSA-N -1 0 314.353 0.949 10 0 DCAERM CN1CCN(c2nc3ccccc3c(=O)n2CC(=O)[O-])CC1 ZINC000040351783 290058669 /nfs/dbraw/zinc/05/86/69/290058669.db2.gz CUSBSSZXXFFPRN-UHFFFAOYSA-N -1 0 302.334 0.233 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC000261724520 293921641 /nfs/dbraw/zinc/92/16/41/293921641.db2.gz QMKYRMBZBODUBW-GHMZBOCLSA-N -1 0 314.382 0.629 10 0 DCAERM CO[C@H](CNC(=O)c1cnc([C@@H]2CCCO2)s1)C(=O)[O-] ZINC000263089133 294454269 /nfs/dbraw/zinc/45/42/69/294454269.db2.gz MNNSETLNOGAFFZ-JGVFFNPUSA-N -1 0 300.336 0.824 10 0 DCAERM COc1ccccc1N1C[C@@H](C(=O)N[C@@H](CF)C(=O)[O-])CC1=O ZINC000262994710 295373557 /nfs/dbraw/zinc/37/35/57/295373557.db2.gz QOZAQARLRXGJHM-UWVGGRQHSA-N -1 0 324.308 0.587 10 0 DCAERM C[C@H](C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])S(C)(=O)=O ZINC000262086712 298169542 /nfs/dbraw/zinc/16/95/42/298169542.db2.gz FWHLKPNUIUNNLF-BDAKNGLRSA-N -1 0 309.384 0.194 10 0 DCAERM Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000037375366 301316805 /nfs/dbraw/zinc/31/68/05/301316805.db2.gz HRRQEDQDBGQCTA-VHSXEESVSA-N -1 0 303.311 0.343 10 0 DCAERM Cn1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC000037463472 302919429 /nfs/dbraw/zinc/91/94/29/302919429.db2.gz UCUYWUXITDUZPQ-LBPRGKRZSA-N -1 0 307.331 0.625 10 0 DCAERM CCN(CC)S(=O)(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000021818436 337338563 /nfs/dbraw/zinc/33/85/63/337338563.db2.gz QZZUOWKNFXCUJP-LBPRGKRZSA-N -1 0 314.363 0.925 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000237255269 524017655 /nfs/dbraw/zinc/01/76/55/524017655.db2.gz FBJKKWZQJXLXEA-GZMMTYOYSA-N -1 0 305.290 0.984 10 0 DCAERM C[C@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)CC(=O)[O-] ZINC000157937299 524447954 /nfs/dbraw/zinc/44/79/54/524447954.db2.gz KTNLBDBDCNPYDB-YUMQZZPRSA-N -1 0 310.272 0.624 10 0 DCAERM CC(=O)Nc1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1C ZINC000357083967 527033946 /nfs/dbraw/zinc/03/39/46/527033946.db2.gz ZXDYFPLJTTUTOY-UHFFFAOYSA-N -1 0 300.322 0.886 10 0 DCAERM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000183567250 528739256 /nfs/dbraw/zinc/73/92/56/528739256.db2.gz UTIZOCUNLWQNKK-MNOVXSKESA-N -1 0 315.395 0.912 10 0 DCAERM COC(=O)c1cc(C)cc(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000457735142 536880633 /nfs/dbraw/zinc/88/06/33/536880633.db2.gz OBVKOIALTHITPA-UHFFFAOYSA-N -1 0 301.306 0.714 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000249761427 545972695 /nfs/dbraw/zinc/97/26/95/545972695.db2.gz AUSMJZKKHMXKEI-MNOVXSKESA-N -1 0 320.411 0.512 10 0 DCAERM O=C([O-])C1(NS(=O)(=O)c2cncc(F)c2)CCOCC1 ZINC000131784039 545792013 /nfs/dbraw/zinc/79/20/13/545792013.db2.gz RJAZFOGUAGBBEI-UHFFFAOYSA-N -1 0 304.299 0.133 10 0 DCAERM CS(=O)(=O)CCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000252431668 545975201 /nfs/dbraw/zinc/97/52/01/545975201.db2.gz NOOQFSLVCZOFRQ-MXWKQRLJSA-N -1 0 303.380 0.665 10 0 DCAERM C[C@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000190393282 658141324 /nfs/dbraw/zinc/14/13/24/658141324.db2.gz NYZBASWWRAJPIH-RKDXNWHRSA-N -1 0 302.327 0.841 10 0 DCAERM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)C1 ZINC000190836090 659374983 /nfs/dbraw/zinc/37/49/83/659374983.db2.gz OTABBYFRZFMJCU-SNVBAGLBSA-N -1 0 314.338 0.216 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCOC[C@H]2C)c1 ZINC000192791425 659422399 /nfs/dbraw/zinc/42/23/99/659422399.db2.gz RETMNNPWYQJVLC-MNOVXSKESA-N -1 0 315.395 0.942 10 0 DCAERM C[C@H](C(=O)[O-])C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000263565046 662718266 /nfs/dbraw/zinc/71/82/66/662718266.db2.gz VGXISRITHMUTAT-QWRGUYRKSA-N -1 0 307.350 0.848 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCCO2)c1 ZINC000055590275 664379237 /nfs/dbraw/zinc/37/92/37/664379237.db2.gz HSNZHKQSIWULJX-GFCCVEGCSA-N -1 0 312.347 0.378 10 0 DCAERM CNC(=O)[C@@H]1CCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000172233259 664618063 /nfs/dbraw/zinc/61/80/63/664618063.db2.gz RRWRSQUXJBNWOU-NSHDSACASA-N -1 0 300.318 0.274 10 0 DCAERM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)C1 ZINC000153708193 664938097 /nfs/dbraw/zinc/93/80/97/664938097.db2.gz UYHQGTBAQJPDBP-QMMMGPOBSA-N -1 0 316.766 0.589 10 0 DCAERM CN(C(=O)c1cc(=O)[nH][n-]1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000732836321 664967637 /nfs/dbraw/zinc/96/76/37/664967637.db2.gz VJZYTGADEOUGRA-GFCCVEGCSA-N -1 0 318.308 0.265 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2Cl)C1 ZINC000703761478 667139978 /nfs/dbraw/zinc/13/99/78/667139978.db2.gz LAXFUJRVXHICJS-LLVKDONJSA-N -1 0 320.754 0.599 10 0 DCAERM CC(=O)N1CSC[C@@H]1C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000448996150 667265992 /nfs/dbraw/zinc/26/59/92/667265992.db2.gz RIVANIYBZJHRSN-ZWNOBZJWSA-N -1 0 302.396 0.913 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000888338211 667301304 /nfs/dbraw/zinc/30/13/04/667301304.db2.gz PXFHIJZRUORYHT-LLVKDONJSA-N -1 0 304.358 0.489 10 0 DCAERM C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000186185672 667345357 /nfs/dbraw/zinc/34/53/57/667345357.db2.gz LFVWHBCUBWSFFP-SECBINFHSA-N -1 0 313.379 0.531 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccns2)C1 ZINC000717671863 667874368 /nfs/dbraw/zinc/87/43/68/667874368.db2.gz JPACKCXBPPWMIG-JTQLQIEISA-N -1 0 306.365 0.255 10 0 DCAERM O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000037592594 667878091 /nfs/dbraw/zinc/87/80/91/667878091.db2.gz ARLRZJFPUGMJJK-UHFFFAOYSA-N -1 0 310.331 0.419 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)O1 ZINC000124058204 667892020 /nfs/dbraw/zinc/89/20/20/667892020.db2.gz YXGVKROPLPBQFN-FZMZJTMJSA-N -1 0 324.402 0.973 10 0 DCAERM COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])cc1 ZINC000128917233 669315377 /nfs/dbraw/zinc/31/53/77/669315377.db2.gz XQSYRTZZBQQCQI-SECBINFHSA-N -1 0 315.347 0.862 10 0 DCAERM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)C2)c(F)c1 ZINC000190871526 669941410 /nfs/dbraw/zinc/94/14/10/669941410.db2.gz REUDGUYOHYYDOV-JTQLQIEISA-N -1 0 314.338 0.216 10 0 DCAERM C[C@@]1(C(F)(F)F)CN(C(=O)CSCC(=O)[O-])CCO1 ZINC000712776962 670150772 /nfs/dbraw/zinc/15/07/72/670150772.db2.gz XKOIWIMMSRRMIW-VIFPVBQESA-N -1 0 301.286 0.984 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@H]1CNC(=O)C1 ZINC000195285079 670479505 /nfs/dbraw/zinc/47/95/05/670479505.db2.gz LWOIJULTFVFOGK-SSDOTTSWSA-N -1 0 302.739 0.281 10 0 DCAERM O=C([O-])[C@H](Cc1cncs1)NS(=O)(=O)CC1CCC1 ZINC000718996881 685306298 /nfs/dbraw/zinc/30/62/98/685306298.db2.gz ZWKHGIOLCYNISK-JTQLQIEISA-N -1 0 304.393 0.858 10 0 DCAERM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)[C@@H](C)O ZINC000717983150 685303884 /nfs/dbraw/zinc/30/38/84/685303884.db2.gz MYVVLWZHKQDFKW-KOLCDFICSA-N -1 0 307.412 0.655 10 0 DCAERM CCN(CC)S(=O)(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC000719070087 685308500 /nfs/dbraw/zinc/30/85/00/685308500.db2.gz SDYIOVYHHGPBCX-SECBINFHSA-N -1 0 307.397 0.315 10 0 DCAERM COC[C@@](C)(NC(=O)NC[C@@]1(OC)CCSC1)C(=O)[O-] ZINC000719225607 685309612 /nfs/dbraw/zinc/30/96/12/685309612.db2.gz BKGHTJPLHLYQAS-NEPJUHHUSA-N -1 0 306.384 0.297 10 0 DCAERM Cc1sc(C)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1C ZINC000722572878 685319739 /nfs/dbraw/zinc/31/97/39/685319739.db2.gz NIICPQSXGJKABO-NXEZZACHSA-N -1 0 319.404 0.882 10 0 DCAERM COC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000383533532 685242644 /nfs/dbraw/zinc/24/26/44/685242644.db2.gz NDAZWTIYKSBSBH-UHFFFAOYSA-N -1 0 306.384 0.283 10 0 DCAERM Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386499122 685249480 /nfs/dbraw/zinc/24/94/80/685249480.db2.gz UEVNGIFDYXQKED-GFCCVEGCSA-N -1 0 319.766 0.859 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cn2ncc3ccccc32)C1 ZINC000237141954 1180824084 /nfs/dbraw/zinc/82/40/84/1180824084.db2.gz OMLBUBQWQHNGEQ-DGCLKSJQSA-N -1 0 303.318 0.737 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)c2ccccc2)C1 ZINC000261719573 1184937541 /nfs/dbraw/zinc/93/75/41/1184937541.db2.gz PXKULCSTZIHMCY-RYUDHWBXSA-N -1 0 306.318 0.117 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC000262091949 1185161226 /nfs/dbraw/zinc/16/12/26/1185161226.db2.gz CQFRZWGZXKNICN-SKDRFNHKSA-N -1 0 319.317 0.030 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)CCC(C)C)C1 ZINC000262159830 1185164227 /nfs/dbraw/zinc/16/42/27/1185164227.db2.gz OYIIVSBYQCEHBA-GHMZBOCLSA-N -1 0 300.355 0.239 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000262464358 1185168281 /nfs/dbraw/zinc/16/82/81/1185168281.db2.gz ITHPXCCCSSCKHT-ZIAGYGMSSA-N -1 0 320.345 0.637 10 0 DCAERM CC(C)Oc1cccnc1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262853330 1185174447 /nfs/dbraw/zinc/17/44/47/1185174447.db2.gz XLXPASMLVWSEJG-UHFFFAOYSA-N -1 0 319.321 0.475 10 0 DCAERM C[C@@H](CN(C)C(=O)NC[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000694078414 954772976 /nfs/dbraw/zinc/77/29/76/954772976.db2.gz CYRGVSJSMHDEBX-UWVGGRQHSA-N -1 0 306.384 0.316 10 0 DCAERM C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000688094457 976167362 /nfs/dbraw/zinc/16/73/62/976167362.db2.gz JKWXIUPWMPNTQW-RKDXNWHRSA-N -1 0 303.336 0.902 10 0 DCAERM COCC(COC)S(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000688587629 976186988 /nfs/dbraw/zinc/18/69/88/976186988.db2.gz WPBLKIHKVVDFRZ-LLVKDONJSA-N -1 0 309.384 0.307 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)NCCOC1CCC1 ZINC000690691992 976327687 /nfs/dbraw/zinc/32/76/87/976327687.db2.gz FVCDKDDBPILGLV-UHFFFAOYSA-N -1 0 306.365 0.689 10 0 DCAERM CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694172595 976674641 /nfs/dbraw/zinc/67/46/41/976674641.db2.gz HVXLMFYKKWLNMC-PSASIEDQSA-N -1 0 303.336 0.759 10 0 DCAERM CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694175059 976676398 /nfs/dbraw/zinc/67/63/98/976676398.db2.gz CJVYMYAMXMWRPT-SNVBAGLBSA-N -1 0 302.352 0.693 10 0 DCAERM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC(=O)[O-])C1 ZINC000694793052 976724420 /nfs/dbraw/zinc/72/44/20/976724420.db2.gz CVKOLJHOSFPNEB-AWEZNQCLSA-N -1 0 305.378 0.394 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)on1 ZINC000695331127 976792699 /nfs/dbraw/zinc/79/26/99/976792699.db2.gz GYICGAXPLCZFKI-SECBINFHSA-N -1 0 302.308 0.172 10 0 DCAERM Cc1cc(C)n(-c2nc(C)cc3nn(CC(=O)[O-])c(=O)n32)n1 ZINC000073668540 191340365 /nfs/dbraw/zinc/34/03/65/191340365.db2.gz WZUAIXXKMSKNFQ-UHFFFAOYSA-N -1 0 302.294 0.087 10 0 DCAERM CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000005639327 181267379 /nfs/dbraw/zinc/26/73/79/181267379.db2.gz UKWOISDEPIVXRB-ZIAGYGMSSA-N -1 0 304.346 0.809 10 0 DCAERM CCC[C@@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236837932 202032555 /nfs/dbraw/zinc/03/25/55/202032555.db2.gz YPXWFVJRYFJKCL-SNVBAGLBSA-N -1 0 306.322 0.256 10 0 DCAERM CCCNC(=O)CCCC(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-] ZINC000262893383 283360880 /nfs/dbraw/zinc/36/08/80/283360880.db2.gz CMUVDDRBEVFLQH-RYUDHWBXSA-N -1 0 314.382 0.774 10 0 DCAERM CCc1nc(CNC(=O)N[C@@](C)(COC)C(=O)[O-])cs1 ZINC000328421017 291259132 /nfs/dbraw/zinc/25/91/32/291259132.db2.gz ZDPIASFJDGZYSB-LBPRGKRZSA-N -1 0 301.368 0.994 10 0 DCAERM CCc1ccc(C(=O)N(CC(=O)[O-])S(N)(=O)=O)c(CC)c1 ZINC000257350944 203068815 /nfs/dbraw/zinc/06/88/15/203068815.db2.gz BDYNRASTLZYYKX-UHFFFAOYSA-N -1 0 314.363 0.542 10 0 DCAERM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1cccs1 ZINC000092778584 304151112 /nfs/dbraw/zinc/15/11/12/304151112.db2.gz CCYTVYDEXQMGBI-VIFPVBQESA-N -1 0 313.360 0.671 10 0 DCAERM Cc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(=O)[O-])C2=O)o1 ZINC000016905406 182064157 /nfs/dbraw/zinc/06/41/57/182064157.db2.gz ZIMMIOJYXCGLRA-WTKPLQERSA-N -1 0 324.314 0.825 10 0 DCAERM O=C([O-])CNC(=O)C[C@@H]1SC(=O)N(c2ccc(O)cc2)C1=O ZINC000016905775 182064783 /nfs/dbraw/zinc/06/47/83/182064783.db2.gz HQFUQQMTOSVLLA-VIFPVBQESA-N -1 0 324.314 0.552 10 0 DCAERM NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000019998237 182175952 /nfs/dbraw/zinc/17/59/52/182175952.db2.gz WJZIIKAACKWNFR-QMMMGPOBSA-N -1 0 318.376 0.014 10 0 DCAERM CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c([O-])nnc1n(C)c2=O ZINC000021730570 182287208 /nfs/dbraw/zinc/28/72/08/182287208.db2.gz FWGYSLGDOHFDTL-MRVPVSSYSA-N -1 0 315.333 0.815 10 0 DCAERM CN(c1nc(CCC(=O)[O-])cs1)[C@H]1CCS(=O)(=O)C1 ZINC000041529510 183197982 /nfs/dbraw/zinc/19/79/82/183197982.db2.gz ZVGINMJAXUFLQV-VIFPVBQESA-N -1 0 304.393 0.784 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000089712801 395714517 /nfs/dbraw/zinc/71/45/17/395714517.db2.gz YJPFUBSQMFUXGD-OUAUKWLOSA-N -1 0 306.384 0.137 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])cc1 ZINC000036967767 395725083 /nfs/dbraw/zinc/72/50/83/395725083.db2.gz SDGVWNJCHBGUCF-QMMMGPOBSA-N -1 0 300.336 0.188 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000037405898 395726547 /nfs/dbraw/zinc/72/65/47/395726547.db2.gz YHTJDSNNJIDOKD-MLUIRONXSA-N -1 0 311.718 0.591 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000040396355 395733561 /nfs/dbraw/zinc/73/35/61/395733561.db2.gz CIGITSMMEQUKIF-WDSKDSINSA-N -1 0 311.768 0.610 10 0 DCAERM CCOC(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000049064128 395827713 /nfs/dbraw/zinc/82/77/13/395827713.db2.gz MEGLMFZFMXUSNP-UHFFFAOYSA-N -1 0 317.319 0.785 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N(CC(=O)[O-])c1ccccc1 ZINC000049064124 395827824 /nfs/dbraw/zinc/82/78/24/395827824.db2.gz MNXBNDXRDVNRPG-UHFFFAOYSA-N -1 0 315.347 0.861 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000227865991 395869667 /nfs/dbraw/zinc/86/96/67/395869667.db2.gz LXVBXUXXJOPHHM-ZCFIWIBFSA-N -1 0 311.772 0.222 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000227865680 395869753 /nfs/dbraw/zinc/86/97/53/395869753.db2.gz VVARLDMHJJBNCU-BQBZGAKWSA-N -1 0 305.743 0.381 10 0 DCAERM Cc1ncc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC000230012490 395877506 /nfs/dbraw/zinc/87/75/06/395877506.db2.gz WVDUEJZQFDPQPE-QMMMGPOBSA-N -1 0 316.364 0.149 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]CC[C@@H]1CCOC1 ZINC000231521731 395884377 /nfs/dbraw/zinc/88/43/77/395884377.db2.gz BQYNNULUVGPMRS-MRVPVSSYSA-N -1 0 320.392 0.635 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)CC(=O)[O-])c1 ZINC000147234821 395966702 /nfs/dbraw/zinc/96/67/02/395966702.db2.gz GGUSQPKDMCDIFT-VIFPVBQESA-N -1 0 315.347 0.862 10 0 DCAERM C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000149338557 395969378 /nfs/dbraw/zinc/96/93/78/395969378.db2.gz BUARDEJOPAZOKM-GMSGAONNSA-N -1 0 303.311 0.980 10 0 DCAERM CC[C@]1(C(=O)[O-])CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062925666 395974377 /nfs/dbraw/zinc/97/43/77/395974377.db2.gz GSXGJPIQQBJAQH-MFKMUULPSA-N -1 0 318.395 0.412 10 0 DCAERM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000071972648 396126163 /nfs/dbraw/zinc/12/61/63/396126163.db2.gz BWQKEIUHMHZVOX-MRVPVSSYSA-N -1 0 302.306 0.923 10 0 DCAERM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccccn2)C[C@H]1C(F)(F)F ZINC000263218322 396206729 /nfs/dbraw/zinc/20/67/29/396206729.db2.gz LIIARXUSMXPTKN-HTQZYQBOSA-N -1 0 324.280 0.965 10 0 DCAERM C[C@@H]1CCCN(C(=O)Cn2cnc3c2ncnc3N)[C@H]1C(=O)[O-] ZINC000263026292 396198800 /nfs/dbraw/zinc/19/88/00/396198800.db2.gz GFITWMNXNYMVSH-LDYMZIIASA-N -1 0 318.337 0.120 10 0 DCAERM CN(CCC(N)=O)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263446225 396217365 /nfs/dbraw/zinc/21/73/65/396217365.db2.gz FZEYZTRQVBBORD-ZDUSSCGKSA-N -1 0 321.377 0.979 10 0 DCAERM C[C@@H](O)CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000179059350 396220431 /nfs/dbraw/zinc/22/04/31/396220431.db2.gz SSXAWEHGUIMJPS-SECBINFHSA-N -1 0 307.375 0.572 10 0 DCAERM O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOCc2ccccc2)C1 ZINC000263567284 396220620 /nfs/dbraw/zinc/22/06/20/396220620.db2.gz XJBJNGZNHAYZNC-CYBMUJFWSA-N -1 0 313.375 0.940 10 0 DCAERM Cc1cc(N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)n[nH]1 ZINC000189703841 396397770 /nfs/dbraw/zinc/39/77/70/396397770.db2.gz PPMIJAJEUOKUOY-UHFFFAOYSA-N -1 0 311.349 0.952 10 0 DCAERM CO[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@H]1C ZINC000188046362 396378375 /nfs/dbraw/zinc/37/83/75/396378375.db2.gz NNTVFRLVUKVSPF-KCJUWKMLSA-N -1 0 318.333 0.108 10 0 DCAERM O=C([O-])C1=NN=C2C=CC(I)=CN2[C@H]1O ZINC000585656159 396648544 /nfs/dbraw/zinc/64/85/44/396648544.db2.gz KXCVWBRVXZXYOI-ZETCQYMHSA-N -1 0 319.058 0.306 10 0 DCAERM O=C([O-])Cn1c(=O)oc2ccc(Br)cc2c1=O ZINC000536952256 396609833 /nfs/dbraw/zinc/60/98/33/396609833.db2.gz BQLCTCWPXNPTJJ-UHFFFAOYSA-N -1 0 300.064 0.802 10 0 DCAERM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C2CC2)CC1 ZINC000299318100 396713213 /nfs/dbraw/zinc/71/32/13/396713213.db2.gz DKAIPIJBVZMNAM-UHFFFAOYSA-N -1 0 323.418 0.978 10 0 DCAERM COc1ccc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)nc1 ZINC000571948894 397004425 /nfs/dbraw/zinc/00/44/25/397004425.db2.gz AJUJXLJPMZUIGV-JTQLQIEISA-N -1 0 302.338 0.552 10 0 DCAERM CCN(CC(F)F)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000385853184 397286030 /nfs/dbraw/zinc/28/60/30/397286030.db2.gz GNJPEYODIGJHOK-QMMMGPOBSA-N -1 0 300.327 0.615 10 0 DCAERM COC[C@@H](C)S(=O)(=O)N[C@H](C)c1nc(C(=O)[O-])cs1 ZINC000399637486 397314605 /nfs/dbraw/zinc/31/46/05/397314605.db2.gz FUBAWYOWIIAJIV-RNFRBKRXSA-N -1 0 308.381 0.857 10 0 DCAERM C[C@@H](C(=O)[O-])N(C)C(=O)NCCCc1nnc2ccccn21 ZINC000578709933 397471808 /nfs/dbraw/zinc/47/18/08/397471808.db2.gz JUCQWMGOUVTBQO-JTQLQIEISA-N -1 0 305.338 0.776 10 0 DCAERM O=C([O-])[C@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CCC1(F)F ZINC000370572957 397503054 /nfs/dbraw/zinc/50/30/54/397503054.db2.gz XHBCXJKMQLMQEM-RKDXNWHRSA-N -1 0 313.322 0.537 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000062843294 158029327 /nfs/dbraw/zinc/02/93/27/158029327.db2.gz CJHBBFAOJYRYIH-UHFFFAOYSA-N -1 0 307.368 0.456 10 0 DCAERM CCC[C@@H](CNC(=O)c1cnc2sccn2c1=O)C(=O)[O-] ZINC000087488985 158092862 /nfs/dbraw/zinc/09/28/62/158092862.db2.gz DIQUCIIBPLMDNC-QMMMGPOBSA-N -1 0 309.347 0.987 10 0 DCAERM CC(C)C[C@H](CNC(=O)NCCCS(C)(=O)=O)C(=O)[O-] ZINC000094705758 158122326 /nfs/dbraw/zinc/12/23/26/158122326.db2.gz DQDAKOAQNULMDN-SNVBAGLBSA-N -1 0 308.400 0.467 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000097895302 158125826 /nfs/dbraw/zinc/12/58/26/158125826.db2.gz QLLWGFLWTPEZAW-CBAPKCEASA-N -1 0 323.729 0.688 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262096843 158772244 /nfs/dbraw/zinc/77/22/44/158772244.db2.gz DTUQPBGKPBNGGN-SECBINFHSA-N -1 0 319.317 0.472 10 0 DCAERM Cc1ncoc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262144954 158778452 /nfs/dbraw/zinc/77/84/52/158778452.db2.gz IXBGIXAHLZZNFN-JTQLQIEISA-N -1 0 309.322 0.378 10 0 DCAERM CC[C@@H](C)[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C(=O)[O-] ZINC000262563369 158824562 /nfs/dbraw/zinc/82/45/62/158824562.db2.gz ZFTHXYWHUQXUCQ-KOLCDFICSA-N -1 0 308.400 0.274 10 0 DCAERM Cn1cccc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])c1=O ZINC000262918704 158848229 /nfs/dbraw/zinc/84/82/29/158848229.db2.gz IIMWXYYGRXGIRK-NSHDSACASA-N -1 0 310.350 0.774 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000262973260 158851609 /nfs/dbraw/zinc/85/16/09/158851609.db2.gz QBSXOYKQNUDDQN-OLZOCXBDSA-N -1 0 320.345 0.703 10 0 DCAERM O=C(CSc1n[nH]c(=O)[n-]1)N1CCc2cc[nH]c(=O)c2C1 ZINC000329342898 159083745 /nfs/dbraw/zinc/08/37/45/159083745.db2.gz PTOGFLIWJNMFNN-UHFFFAOYSA-N -1 0 307.335 0.288 10 0 DCAERM CO[C@@]1(C(=O)[N-]S(=O)(=O)c2sccc2C)CCOC1 ZINC000408241070 160067245 /nfs/dbraw/zinc/06/72/45/160067245.db2.gz HLNLNELXDUUILH-NSHDSACASA-N -1 0 305.377 0.667 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1 ZINC000408395877 160099749 /nfs/dbraw/zinc/09/97/49/160099749.db2.gz RMNDVLAOVSMNLU-YUSALJHKSA-N -1 0 313.379 0.694 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000408450987 160110741 /nfs/dbraw/zinc/11/07/41/160110741.db2.gz KREBEODYPJBMBD-CYBMUJFWSA-N -1 0 318.439 0.733 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H]1C(C)C ZINC000408452626 160110752 /nfs/dbraw/zinc/11/07/52/160110752.db2.gz PLWGNBJGIMQTDV-ZYHUDNBSSA-N -1 0 315.395 0.595 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1ccc2c(c1)OCCCO2 ZINC000408475437 160116185 /nfs/dbraw/zinc/11/61/85/160116185.db2.gz DXSUOTQAKBAQAI-UHFFFAOYSA-N -1 0 313.331 0.306 10 0 DCAERM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000408481614 160117995 /nfs/dbraw/zinc/11/79/95/160117995.db2.gz GAOXBMONQUMDTQ-UWVGGRQHSA-N -1 0 315.395 0.782 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408483956 160118625 /nfs/dbraw/zinc/11/86/25/160118625.db2.gz NCINHQPCHBOLMN-LLVKDONJSA-N -1 0 314.411 0.408 10 0 DCAERM CO[C@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000408491231 160119092 /nfs/dbraw/zinc/11/90/92/160119092.db2.gz GPQCAWFHGTZWJG-NEPJUHHUSA-N -1 0 305.396 0.674 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C[C@H](C)O1 ZINC000136742677 287027126 /nfs/dbraw/zinc/02/71/26/287027126.db2.gz APWJEHAGIGTOHO-AXFHLTTASA-N -1 0 322.427 0.819 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1C ZINC000253551921 287121597 /nfs/dbraw/zinc/12/15/97/287121597.db2.gz KVQCYGCICZGYON-SFYZADRCSA-N -1 0 324.362 0.855 10 0 DCAERM CC[C@@H](C)[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000036967648 415189790 /nfs/dbraw/zinc/18/97/90/415189790.db2.gz DDCPOTCUMGCLBS-XCBNKYQSSA-N -1 0 303.384 0.815 10 0 DCAERM CC1CCN(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)CC1 ZINC000092436430 415539861 /nfs/dbraw/zinc/53/98/61/415539861.db2.gz LCCIIURWUHNIMI-UHFFFAOYSA-N -1 0 318.317 0.912 10 0 DCAERM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357042104 416025441 /nfs/dbraw/zinc/02/54/41/416025441.db2.gz GBOSJPAGPUKAPD-GZMMTYOYSA-N -1 0 301.306 0.534 10 0 DCAERM C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000312318122 416105871 /nfs/dbraw/zinc/10/58/71/416105871.db2.gz BIVWMFWVVLQMSI-HQJQHLMTSA-N -1 0 303.311 0.980 10 0 DCAERM Cn1cnc(CCNS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000313199631 416107644 /nfs/dbraw/zinc/10/76/44/416107644.db2.gz QPELEGCJJUJNLU-UHFFFAOYSA-N -1 0 315.376 0.701 10 0 DCAERM COC[C@](C)([N-]S(=O)(=O)c1ccn(C)n1)C(F)(F)F ZINC000358838250 416282624 /nfs/dbraw/zinc/28/26/24/416282624.db2.gz ZTDLVXJEKPMUBC-QMMMGPOBSA-N -1 0 301.290 0.666 10 0 DCAERM Cc1ccc2c(c1)C(=O)N(CC(=O)NCC1(C(=O)[O-])CC1)C2=O ZINC000263488559 416338079 /nfs/dbraw/zinc/33/80/79/416338079.db2.gz WBHPMAIYXBTOHY-UHFFFAOYSA-N -1 0 316.313 0.572 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000215193695 416327119 /nfs/dbraw/zinc/32/71/19/416327119.db2.gz GYTFQFBLEFAQLK-LBPRGKRZSA-N -1 0 304.368 0.166 10 0 DCAERM COC(=O)[C@@H](N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C1(OC)CCC1 ZINC000459494318 416547766 /nfs/dbraw/zinc/54/77/66/416547766.db2.gz AMQADBHFSRVKJW-GHMZBOCLSA-N -1 0 324.381 0.800 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)Cc2cc(F)ccc2F)n[n-]1 ZINC000439149386 416608016 /nfs/dbraw/zinc/60/80/16/416608016.db2.gz ZLZAHEXPVOXYHA-UHFFFAOYSA-N -1 0 316.289 0.668 10 0 DCAERM C/C=C\C[C@@H](NC(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000518294725 416847870 /nfs/dbraw/zinc/84/78/70/416847870.db2.gz SDUGYCBQJRIDED-OTDNITJGSA-N -1 0 318.395 0.530 10 0 DCAERM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000446053250 416911744 /nfs/dbraw/zinc/91/17/44/416911744.db2.gz LQLRDOUXLQFYOS-LLVKDONJSA-N -1 0 320.374 0.919 10 0 DCAERM NS(=O)(=O)N1CCCO[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616650749 417086081 /nfs/dbraw/zinc/08/60/81/417086081.db2.gz JWSNVLGBEVZCSG-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM C[C@H](NC(=O)c1ccccc1)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000448987188 417113804 /nfs/dbraw/zinc/11/38/04/417113804.db2.gz APNBRFQOTNGZGH-ZBEGNZNMSA-N -1 0 320.345 0.555 10 0 DCAERM CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000448991102 417114825 /nfs/dbraw/zinc/11/48/25/417114825.db2.gz JLRFGHLBHGHTON-IUCAKERBSA-N -1 0 314.363 0.434 10 0 DCAERM CCOC(=O)c1[nH]c(C)c(C(=O)NC2(c3nnn[n-]3)CC2)c1C ZINC000570463518 417357600 /nfs/dbraw/zinc/35/76/00/417357600.db2.gz VWHNSRXHEABIQO-UHFFFAOYSA-N -1 0 318.337 0.740 10 0 DCAERM Cc1noc(C)c1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000663223937 418001832 /nfs/dbraw/zinc/00/18/32/418001832.db2.gz SQJNWWVAWPESLM-OLZOCXBDSA-N -1 0 307.350 0.988 10 0 DCAERM C[C@@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000229350017 545947191 /nfs/dbraw/zinc/94/71/91/545947191.db2.gz ASXCOTZNVARLQD-JGVFFNPUSA-N -1 0 300.336 0.232 10 0 DCAERM CO[C@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000223843444 261153449 /nfs/dbraw/zinc/15/34/49/261153449.db2.gz MLYSHFUQSGQFDV-MRVPVSSYSA-N -1 0 303.336 0.712 10 0 DCAERM COC(=O)c1nscc1[N-]S(=O)(=O)c1c[nH]c(C)n1 ZINC000359488212 271120388 /nfs/dbraw/zinc/12/03/88/271120388.db2.gz XBAKJZAIHXESPV-UHFFFAOYSA-N -1 0 302.337 0.762 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)c[nH]1 ZINC000363629706 271198824 /nfs/dbraw/zinc/19/88/24/271198824.db2.gz DTRUEGKRNXWYLZ-UHFFFAOYSA-N -1 0 319.350 0.803 10 0 DCAERM CCO[C@@H]1C[C@](NC(=O)NCCCOC)(C(=O)[O-])C1(C)C ZINC000515747929 287657827 /nfs/dbraw/zinc/65/78/27/287657827.db2.gz HARGJLBXJVKKNS-YGRLFVJLSA-N -1 0 302.371 0.981 10 0 DCAERM CC(C)(C(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1)S(C)(=O)=O ZINC000262232089 278271021 /nfs/dbraw/zinc/27/10/21/278271021.db2.gz VKXKJNBFWLHWBS-ZJUUUORDSA-N -1 0 303.380 0.379 10 0 DCAERM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N[C@H](CF)C(=O)[O-] ZINC000262856305 278305081 /nfs/dbraw/zinc/30/50/81/278305081.db2.gz DSDUVSBOZGWJGB-ZJUUUORDSA-N -1 0 302.346 0.953 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000547555734 288057859 /nfs/dbraw/zinc/05/78/59/288057859.db2.gz IIECMHJALFIBQN-JOYOIKCWSA-N -1 0 314.363 0.837 10 0 DCAERM CC(C)OCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000299922409 279675326 /nfs/dbraw/zinc/67/53/26/279675326.db2.gz SQGYUYWBFFHVGD-QJPTWQEYSA-N -1 0 305.396 0.926 10 0 DCAERM CCc1oc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000261671814 288666666 /nfs/dbraw/zinc/66/66/66/288666666.db2.gz PJQHLUDKVNKNDX-CYBMUJFWSA-N -1 0 315.347 0.847 10 0 DCAERM CS(=O)(=O)C1(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCC1 ZINC000263474597 295475034 /nfs/dbraw/zinc/47/50/34/295475034.db2.gz YWJZMCJHHKOTBF-GXFFZTMASA-N -1 0 315.391 0.667 10 0 DCAERM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@]1(C(F)(F)F)CCOC1 ZINC000408066645 297974228 /nfs/dbraw/zinc/97/42/28/297974228.db2.gz APKNOAURPTUABJ-APPZFPTMSA-N -1 0 318.317 0.104 10 0 DCAERM C[C@H](CC(=O)[O-])NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000262974115 298312189 /nfs/dbraw/zinc/31/21/89/298312189.db2.gz MAPSHRDOEYKKNF-PUYPPJJSSA-N -1 0 322.365 0.309 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000062843069 300280498 /nfs/dbraw/zinc/28/04/98/300280498.db2.gz BIUYSEGBSFODOE-QWRGUYRKSA-N -1 0 320.411 0.527 10 0 DCAERM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262818908 302766040 /nfs/dbraw/zinc/76/60/40/302766040.db2.gz PUXRNCVJPVBCAQ-TUAOUCFPSA-N -1 0 307.350 0.658 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)CC[C@@H]1C(=O)[O-] ZINC000380155637 332954341 /nfs/dbraw/zinc/95/43/41/332954341.db2.gz YFPQBUAAEIWIQK-YUMQZZPRSA-N -1 0 321.786 0.805 10 0 DCAERM Cc1[n-][nH]c(=O)c1S(=O)(=O)c1ccc(O)c2ncccc12 ZINC000584653343 337381273 /nfs/dbraw/zinc/38/12/73/337381273.db2.gz DAHZRUCXRDBNLN-GFCCVEGCSA-N -1 0 305.315 0.588 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000237140690 523764031 /nfs/dbraw/zinc/76/40/31/523764031.db2.gz MIRNOBISEBTMPJ-NOZJJQNGSA-N -1 0 303.318 0.806 10 0 DCAERM C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)CC(=O)[O-] ZINC000157937150 524697317 /nfs/dbraw/zinc/69/73/17/524697317.db2.gz KTNLBDBDCNPYDB-HTQZYQBOSA-N -1 0 310.272 0.624 10 0 DCAERM C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@@H](C(=O)[O-])O1 ZINC000191188676 524794083 /nfs/dbraw/zinc/79/40/83/524794083.db2.gz AZKPUQZKSMMYGR-SKDRFNHKSA-N -1 0 303.318 0.806 10 0 DCAERM C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000246165240 526207333 /nfs/dbraw/zinc/20/73/33/526207333.db2.gz AQHFNATYJSDSHV-DEHLGRJESA-N -1 0 306.366 0.621 10 0 DCAERM C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc(C(=O)[O-])cs1 ZINC000090941395 545716675 /nfs/dbraw/zinc/71/66/75/545716675.db2.gz CRRGYLYHHPGAPY-ZCFIWIBFSA-N -1 0 316.364 0.614 10 0 DCAERM C[C@H]1OCC[C@H]1Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000149926589 545810731 /nfs/dbraw/zinc/81/07/31/545810731.db2.gz PIQXUWSXAQYWGL-GMSGAONNSA-N -1 0 300.336 0.622 10 0 DCAERM CC(C)N1C(=O)C[C@H](NC(=O)c2c([O-])cc(F)cc2F)C1=O ZINC000177570911 545891796 /nfs/dbraw/zinc/89/17/96/545891796.db2.gz YQBYUXBLFKPQQZ-VIFPVBQESA-N -1 0 312.272 0.936 10 0 DCAERM CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)COC1 ZINC000094721503 661284822 /nfs/dbraw/zinc/28/48/22/661284822.db2.gz ZOUKCVPMYKDCJU-UHFFFAOYSA-N -1 0 303.311 0.839 10 0 DCAERM COc1ccsc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000161947985 657845941 /nfs/dbraw/zinc/84/59/41/657845941.db2.gz XIACFSWNPYWBFA-UHFFFAOYSA-N -1 0 308.319 0.744 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000176832501 658063257 /nfs/dbraw/zinc/06/32/57/658063257.db2.gz QPPHQCBOBZALJN-QWHCGFSZSA-N -1 0 316.423 0.896 10 0 DCAERM CCS(=O)(=O)CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262048885 658241387 /nfs/dbraw/zinc/24/13/87/658241387.db2.gz FGQMQHSMNCQISK-LBPRGKRZSA-N -1 0 313.375 0.481 10 0 DCAERM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1nccs1 ZINC000187585496 658932111 /nfs/dbraw/zinc/93/21/11/658932111.db2.gz CGHGVFXLLCLSEC-VIFPVBQESA-N -1 0 303.409 0.966 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC000311872957 659382966 /nfs/dbraw/zinc/38/29/66/659382966.db2.gz SOBGKKXZSPFGMY-NSCUHMNNSA-N -1 0 305.333 0.454 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)c2cccc(-n3cncn3)c2)CCSC1 ZINC000262176813 662141501 /nfs/dbraw/zinc/14/15/01/662141501.db2.gz OKIRHZZJDDDRFQ-CQSZACIVSA-N -1 0 318.358 0.957 10 0 DCAERM O=C([O-])[C@@H](NC(=O)c1ccc2nccn2c1)[C@@H]1CCCOC1 ZINC000262832736 662588801 /nfs/dbraw/zinc/58/88/01/662588801.db2.gz REWZRUCRPHBBOH-YPMHNXCESA-N -1 0 303.318 0.944 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)O1 ZINC000263001538 662613420 /nfs/dbraw/zinc/61/34/20/662613420.db2.gz VBIFUIFQDYTAMQ-PWSUYJOCSA-N -1 0 312.366 0.336 10 0 DCAERM O=C([O-])C1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000263550346 662716714 /nfs/dbraw/zinc/71/67/14/662716714.db2.gz KHNHSENWPVMVQJ-UHFFFAOYSA-N -1 0 311.363 0.387 10 0 DCAERM CN([C@@H]1CCSC1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000311662924 664673194 /nfs/dbraw/zinc/67/31/94/664673194.db2.gz WURPGFCARYSDRZ-SECBINFHSA-N -1 0 302.377 0.906 10 0 DCAERM COc1ccc(C[C@H](C)NC(=O)c2cc(=O)[nH][n-]2)cc1OC ZINC000732289854 664912384 /nfs/dbraw/zinc/91/23/84/664912384.db2.gz XPYMJDQCXMUROH-VIFPVBQESA-N -1 0 305.334 0.627 10 0 DCAERM CO[N-]C(=O)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000134766375 667551064 /nfs/dbraw/zinc/55/10/64/667551064.db2.gz NMOCBNNVZHWSIK-UHFFFAOYSA-N -1 0 301.306 0.965 10 0 DCAERM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000737352435 667598472 /nfs/dbraw/zinc/59/84/72/667598472.db2.gz JVROZISBRRXACJ-VIFPVBQESA-N -1 0 305.377 0.238 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NCC[C@H](C)C(=O)[O-] ZINC000128890717 669313806 /nfs/dbraw/zinc/31/38/06/669313806.db2.gz BSGGGNOYQKEKLC-ZETCQYMHSA-N -1 0 321.376 0.924 10 0 DCAERM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@@H]1CNC(=O)C1 ZINC000132687878 669739598 /nfs/dbraw/zinc/73/95/98/669739598.db2.gz URARQNRQHQUUGS-ZETCQYMHSA-N -1 0 318.301 0.047 10 0 DCAERM C[C@H]1CCCCN1S(=O)(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715306916 670207727 /nfs/dbraw/zinc/20/77/27/670207727.db2.gz JVGJUPJFYOAFBJ-DJLDLDEBSA-N -1 0 312.338 0.661 10 0 DCAERM CCc1oc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1C ZINC000121402106 671792083 /nfs/dbraw/zinc/79/20/83/671792083.db2.gz YTMOUDPZIZKEBJ-UHFFFAOYSA-N -1 0 302.352 0.457 10 0 DCAERM CC[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCCO1 ZINC000394322108 685266156 /nfs/dbraw/zinc/26/61/56/685266156.db2.gz XZPILOAUPOGBQX-VIFPVBQESA-N -1 0 302.352 0.903 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC000395374035 685269151 /nfs/dbraw/zinc/26/91/51/685269151.db2.gz VXDKXSOARCZHOB-CYBMUJFWSA-N -1 0 313.331 0.099 10 0 DCAERM CC[C@@H](NC(=O)NCc1n[nH]cc1Br)C(=O)[O-] ZINC000718140538 685304374 /nfs/dbraw/zinc/30/43/74/685304374.db2.gz XQXPLZYFARXFOG-ZCFIWIBFSA-N -1 0 305.132 0.835 10 0 DCAERM CC(=O)N1CC[C@@](C)(C(=O)N=c2cc(-c3nccn3C)[n-][nH]2)C1 ZINC000533403156 685300717 /nfs/dbraw/zinc/30/07/17/685300717.db2.gz KLDSSSYPBKKYIL-OAHLLOKOSA-N -1 0 316.365 0.429 10 0 DCAERM O=S(=O)(N[C@@H]1CCCN2CCSC[C@@H]12)c1ncc[n-]1 ZINC000720477401 685313848 /nfs/dbraw/zinc/31/38/48/685313848.db2.gz TYYVGHJOGBGODK-ZJUUUORDSA-N -1 0 302.425 0.268 10 0 DCAERM O=C([O-])c1nc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000721438665 685318865 /nfs/dbraw/zinc/31/88/65/685318865.db2.gz YJFSJQXYRMVOSI-VIFPVBQESA-N -1 0 310.253 0.981 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](C)NC(=O)c2ccoc2)C1 ZINC000262128081 1185161920 /nfs/dbraw/zinc/16/19/20/1185161920.db2.gz JXUSSBVXPQQYSF-JMJZKYOTSA-N -1 0 310.306 0.098 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000262132856 1185162212 /nfs/dbraw/zinc/16/22/12/1185162212.db2.gz KPIORIHMWBTFRW-AXTRIDKLSA-N -1 0 309.366 0.841 10 0 DCAERM CO[C@@H](C(=O)NCc1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC000262365583 1185167339 /nfs/dbraw/zinc/16/73/39/1185167339.db2.gz WWAKMSQCMCTQFG-CYBMUJFWSA-N -1 0 304.306 0.367 10 0 DCAERM CO[C@H](CNC(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000263021526 1185175591 /nfs/dbraw/zinc/17/55/91/1185175591.db2.gz ANNOZKVAAJFJNE-CYBMUJFWSA-N -1 0 308.334 0.353 10 0 DCAERM CO[C@H](CNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(=O)[O-] ZINC000263104488 1185177310 /nfs/dbraw/zinc/17/73/10/1185177310.db2.gz OSQLJVTZMDIQOS-PWSUYJOCSA-N -1 0 302.371 0.389 10 0 DCAERM C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000688107264 954622802 /nfs/dbraw/zinc/62/28/02/954622802.db2.gz PZDDDTRUTYKRMC-MXWKQRLJSA-N -1 0 306.384 0.016 10 0 DCAERM CN(Cc1nccs1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689187474 954639825 /nfs/dbraw/zinc/63/98/25/954639825.db2.gz ZBIDOGCHHCOFLK-QMMMGPOBSA-N -1 0 305.381 0.369 10 0 DCAERM C[C@H](CCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)[S@](C)=O ZINC000697989853 954838429 /nfs/dbraw/zinc/83/84/29/954838429.db2.gz FTFJTGXNJDFQAY-MTTWPYTGSA-N -1 0 304.412 0.944 10 0 DCAERM CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(C(=O)[O-])s1 ZINC000699962182 968976447 /nfs/dbraw/zinc/97/64/47/968976447.db2.gz XMVWZAHAOPGKQH-BDAKNGLRSA-N -1 0 305.377 0.348 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000687072931 976130806 /nfs/dbraw/zinc/13/08/06/976130806.db2.gz LFJGGRWRQZRRSY-GFCCVEGCSA-N -1 0 307.368 0.502 10 0 DCAERM C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000689000986 976198828 /nfs/dbraw/zinc/19/88/28/976198828.db2.gz SDSOHBVKYMQPPY-YUMQZZPRSA-N -1 0 304.324 0.154 10 0 DCAERM Cc1oc(C(=O)[O-])cc1C(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000689112886 976226229 /nfs/dbraw/zinc/22/62/29/976226229.db2.gz ZUELNDBAGJIAQF-SSDOTTSWSA-N -1 0 301.320 0.545 10 0 DCAERM C[C@H](CCNC(=O)NC[C@H](CC(=O)[O-])C1CC1)[S@@](C)=O ZINC000690446922 976297597 /nfs/dbraw/zinc/29/75/97/976297597.db2.gz KVHWEONXSVDIPY-CYKBGDKZSA-N -1 0 304.412 0.944 10 0 DCAERM Cc1csc(C(=O)[O-])c1S(=O)(=O)N(C)CC1CN(C)C1 ZINC000692224473 976407401 /nfs/dbraw/zinc/40/74/01/976407401.db2.gz WBHMJPACQDXKCQ-UHFFFAOYSA-N -1 0 318.420 0.937 10 0 DCAERM O=C([O-])c1coc(C(=O)NC[C@@H]2CCCCS2(=O)=O)c1 ZINC000694526685 976696546 /nfs/dbraw/zinc/69/65/46/976696546.db2.gz ZEJNXESMMNJCDK-VIFPVBQESA-N -1 0 301.320 0.675 10 0 DCAERM CC(=O)N[C@@H](CSCCCS(=O)(=O)C(C)C)C(=O)[O-] ZINC000696795143 976823919 /nfs/dbraw/zinc/82/39/19/976823919.db2.gz KFYPHNMVGDCSDD-JTQLQIEISA-N -1 0 311.425 0.522 10 0 DCAERM C[C@@H](CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1)S(C)(=O)=O ZINC000697585006 976849811 /nfs/dbraw/zinc/84/98/11/976849811.db2.gz KHEGBPNCRYLYJI-CABZTGNLSA-N -1 0 306.384 0.316 10 0 DCAERM CC(=O)N1CCc2cc(S(=O)(=O)NC/C=C/C(=O)[O-])ccc21 ZINC000278739759 214368064 /nfs/dbraw/zinc/36/80/64/214368064.db2.gz QEZXMUDXPPRHTG-NSCUHMNNSA-N -1 0 324.358 0.515 10 0 DCAERM CC(C)C[C@@H](NC(=O)c1cnc2ccccn2c1=O)C(=O)[O-] ZINC000236611160 201934968 /nfs/dbraw/zinc/93/49/68/201934968.db2.gz OEFMRYBWERVOQQ-LLVKDONJSA-N -1 0 303.318 0.924 10 0 DCAERM CSCC[C@H](NC=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000003874400 181050475 /nfs/dbraw/zinc/05/04/75/181050475.db2.gz VZQJQFGSAAGNSI-QWHCGFSZSA-N -1 0 324.402 0.666 10 0 in-vitro DCAERM COCCn1c(=O)c2cc(Cl)ccc2n(CC(=O)[O-])c1=O ZINC000073659139 191338472 /nfs/dbraw/zinc/33/84/72/191338472.db2.gz DQAKGFLLMHHLTF-UHFFFAOYSA-N -1 0 312.709 0.548 10 0 DCAERM CCCc1cc2nn(CC(=O)[O-])c(=O)n2c(-c2ccncc2)n1 ZINC000073695090 191342855 /nfs/dbraw/zinc/34/28/55/191342855.db2.gz VBEVPSFGKFTBRG-UHFFFAOYSA-N -1 0 313.317 0.990 10 0 DCAERM CCCNC(=O)CCCC(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000262893384 283360914 /nfs/dbraw/zinc/36/09/14/283360914.db2.gz CMUVDDRBEVFLQH-VXGBXAGGSA-N -1 0 314.382 0.774 10 0 DCAERM COC(=O)[C@@H](C)CS(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263114346 291225199 /nfs/dbraw/zinc/22/51/99/291225199.db2.gz BXCIMBDIIIAYGJ-OUJBWJOFSA-N -1 0 319.379 0.312 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCCCCC2)C1 ZINC000020563587 294595549 /nfs/dbraw/zinc/59/55/49/294595549.db2.gz BOMFRGATZKAKDE-QWRGUYRKSA-N -1 0 306.384 0.281 10 0 DCAERM CCCc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000037405876 182887420 /nfs/dbraw/zinc/88/74/20/182887420.db2.gz ZPDXODWWLFSRBY-BXKDBHETSA-N -1 0 301.364 0.751 10 0 DCAERM CCCCSCC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000037453391 182895396 /nfs/dbraw/zinc/89/53/96/182895396.db2.gz MRNQNBRPBYGJLP-VIFPVBQESA-N -1 0 311.425 0.524 10 0 DCAERM CCCN(CC(=O)[O-])C(=O)Cn1nnc(-c2ccsc2)n1 ZINC000038020214 182967499 /nfs/dbraw/zinc/96/74/99/182967499.db2.gz VWELDPWVDMJBER-UHFFFAOYSA-N -1 0 309.351 0.725 10 0 DCAERM CCN(CCC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000038023679 182968785 /nfs/dbraw/zinc/96/87/85/182968785.db2.gz NOMNMEPOVLDTMT-UHFFFAOYSA-N -1 0 312.347 0.667 10 0 DCAERM COC(=O)[C@H]1CCCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000127704291 291833728 /nfs/dbraw/zinc/83/37/28/291833728.db2.gz HEGWFMQTANGALF-SSDOTTSWSA-N -1 0 304.290 0.411 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000036968853 395725086 /nfs/dbraw/zinc/72/50/86/395725086.db2.gz VWOMBBHZBBVEPF-MLUIRONXSA-N -1 0 311.718 0.591 10 0 DCAERM Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000037417565 395727101 /nfs/dbraw/zinc/72/71/01/395727101.db2.gz DZTLRVXCFYOLGX-WCBMZHEXSA-N -1 0 319.766 0.857 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000037462156 395727523 /nfs/dbraw/zinc/72/75/23/395727523.db2.gz DGBLJJPCOJCXCT-OIBJUYFYSA-N -1 0 307.755 0.761 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000092890155 395734059 /nfs/dbraw/zinc/73/40/59/395734059.db2.gz DCISIEWYBZJRDI-ZJUUUORDSA-N -1 0 301.368 0.825 10 0 DCAERM CN(C(=O)N(CC(=O)[O-])C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000040591492 395734438 /nfs/dbraw/zinc/73/44/38/395734438.db2.gz AZVYJIQRXDEDPV-NSHDSACASA-N -1 0 318.395 0.555 10 0 DCAERM O=C([O-])[C@]1(NS(=O)(=O)N2CCCCCC2)CCSC1 ZINC000043511634 395753413 /nfs/dbraw/zinc/75/34/13/395753413.db2.gz FWBWOCOXOVBHNN-NSHDSACASA-N -1 0 308.425 0.657 10 0 DCAERM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000104266526 395778379 /nfs/dbraw/zinc/77/83/79/395778379.db2.gz CEJQKCHHOBZVKF-KXUCPTDWSA-N -1 0 308.425 0.811 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000214877612 395836657 /nfs/dbraw/zinc/83/66/57/395836657.db2.gz BUDPCVLDZLKIJA-JGVFFNPUSA-N -1 0 319.301 0.833 10 0 DCAERM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCNC1=O ZINC000109420184 395797775 /nfs/dbraw/zinc/79/77/75/395797775.db2.gz PDLLYSWDMILEAZ-ZETCQYMHSA-N -1 0 318.376 0.312 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000234220270 395888371 /nfs/dbraw/zinc/88/83/71/395888371.db2.gz OFNWPPCCWMSKRC-GXSJLCMTSA-N -1 0 301.368 0.777 10 0 DCAERM COCCN1CCN(CC(=O)[N-]OCc2ccccc2)C[C@H]1C ZINC000119399733 395870726 /nfs/dbraw/zinc/87/07/26/395870726.db2.gz FHTMUTJDMUMENS-OAHLLOKOSA-N -1 0 321.421 0.887 10 0 DCAERM O=C([O-])Cn1ncn2nc(-c3ccc4c(c3)OCO4)cc2c1=O ZINC000070459475 396102199 /nfs/dbraw/zinc/10/21/99/396102199.db2.gz WCUGBNZIUUPHIY-UHFFFAOYSA-N -1 0 314.257 0.371 10 0 DCAERM CCCNC(=O)CCCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262221401 396112291 /nfs/dbraw/zinc/11/22/91/396112291.db2.gz MSKAROHUCAGBHT-MNOVXSKESA-N -1 0 300.355 0.383 10 0 DCAERM CCN(C(=O)c1cc(C(=O)[O-])co1)[C@H](C)CS(C)(=O)=O ZINC000262357153 396129488 /nfs/dbraw/zinc/12/94/88/396129488.db2.gz HOBPSUTUIVMDTA-MRVPVSSYSA-N -1 0 303.336 0.873 10 0 DCAERM Cc1noc(CCCC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1 ZINC000262362653 396130493 /nfs/dbraw/zinc/13/04/93/396130493.db2.gz IVKZXGBKWCVYLS-XHDPSFHLSA-N -1 0 323.349 0.650 10 0 DCAERM NC(=O)COc1cccc(CNC(=O)CCCCC(=O)[O-])c1 ZINC000263235745 396208259 /nfs/dbraw/zinc/20/82/59/396208259.db2.gz BPEGEZXWZCNKBK-UHFFFAOYSA-N -1 0 308.334 0.812 10 0 DCAERM CC(=O)N(C)CC(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000262713579 396174981 /nfs/dbraw/zinc/17/49/81/396174981.db2.gz GDPADNQGDYJBLP-UHFFFAOYSA-N -1 0 308.334 0.287 10 0 DCAERM CNC(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cn1 ZINC000262954039 396193742 /nfs/dbraw/zinc/19/37/42/396193742.db2.gz NALSCWFBCQPIOU-CYBMUJFWSA-N -1 0 309.347 0.131 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263312738 396213435 /nfs/dbraw/zinc/21/34/35/396213435.db2.gz IFVBJRNTVWYPET-HBNTYKKESA-N -1 0 314.407 0.867 10 0 DCAERM Cc1cc(N2CCC[C@@H](NC(=O)N(C)CCC(=O)[O-])C2)n(C)n1 ZINC000263370907 396215455 /nfs/dbraw/zinc/21/54/55/396215455.db2.gz MWSIPUNZBRLAQV-GFCCVEGCSA-N -1 0 323.397 0.813 10 0 DCAERM C[C@@H](O)[C@@H](CO)NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263441201 396217443 /nfs/dbraw/zinc/21/74/43/396217443.db2.gz DOPKVNFWACADKF-MRVWCRGKSA-N -1 0 324.377 0.503 10 0 DCAERM CCO[P@](=O)([O-])CO[C@H](C)Cn1cnc2c1ncnc2N ZINC000077271410 396217550 /nfs/dbraw/zinc/21/75/50/396217550.db2.gz RKTDGEHXFPNCDC-MRVPVSSYSA-N -1 0 315.270 0.993 10 0 in-vitro DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)CCn1nc2ccccn2c1=O ZINC000263492622 396219147 /nfs/dbraw/zinc/21/91/47/396219147.db2.gz XEJQTRRTEQZBHP-OAHLLOKOSA-N -1 0 318.333 0.352 10 0 DCAERM CCN1CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1=O ZINC000190542108 396407792 /nfs/dbraw/zinc/40/77/92/396407792.db2.gz LAGKDYZKBHEPMQ-UHFFFAOYSA-N -1 0 318.308 0.979 10 0 DCAERM Cc1c([C@@H](NS(=O)(=O)N2CCC[C@@H]2C)C(=O)[O-])cnn1C ZINC000530383142 396576405 /nfs/dbraw/zinc/57/64/05/396576405.db2.gz OMOOAKWATCLSIF-GZMMTYOYSA-N -1 0 316.383 0.173 10 0 DCAERM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1c(F)cc(F)cc1F ZINC000625593449 396940388 /nfs/dbraw/zinc/94/03/88/396940388.db2.gz AVJJFUOLFCRNEX-ZJUUUORDSA-N -1 0 311.281 0.532 10 0 DCAERM CC1CCN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1 ZINC000381450747 397272150 /nfs/dbraw/zinc/27/21/50/397272150.db2.gz YFLYMUDFPYLAMO-MNOVXSKESA-N -1 0 306.384 0.137 10 0 DCAERM COC(=O)CCCS(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000405420626 397332081 /nfs/dbraw/zinc/33/20/81/397332081.db2.gz XOOHYEYDDGNOTH-SNVBAGLBSA-N -1 0 307.368 0.360 10 0 DCAERM CCn1ncc(Cl)c1C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000621538024 397395779 /nfs/dbraw/zinc/39/57/79/397395779.db2.gz DIVOXLZLIODUED-GFCCVEGCSA-N -1 0 301.730 0.920 10 0 DCAERM C/C=C\C[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000578955520 397505094 /nfs/dbraw/zinc/50/50/94/397505094.db2.gz BXRJMOUSDGWEFK-XOULXFPDSA-N -1 0 318.395 0.530 10 0 DCAERM O=C(NN1CCOCC1)c1nn(-c2ccccc2F)cc1[O-] ZINC000114876398 158159372 /nfs/dbraw/zinc/15/93/72/158159372.db2.gz UAQCBEHJVLEWFC-UHFFFAOYSA-N -1 0 306.297 0.694 10 0 DCAERM Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC000229337923 158622095 /nfs/dbraw/zinc/62/20/95/158622095.db2.gz NWKBNUDQDDHFLJ-LBPRGKRZSA-N -1 0 305.327 0.556 10 0 DCAERM CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CCC(=O)[O-])cc1 ZINC000262096766 158772226 /nfs/dbraw/zinc/77/22/26/158772226.db2.gz DRXPZNUUCPYFCS-SECBINFHSA-N -1 0 314.363 0.578 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2csc3nccn23)C1 ZINC000262115664 158775253 /nfs/dbraw/zinc/77/52/53/158775253.db2.gz HTIDLZQYAYSOTQ-VHSXEESVSA-N -1 0 309.347 0.639 10 0 DCAERM CO[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H]1OC ZINC000262545750 158823637 /nfs/dbraw/zinc/82/36/37/158823637.db2.gz RTEKFLYNIAKOCG-CHWSQXEVSA-N -1 0 308.334 0.940 10 0 DCAERM COc1ccc(C(=O)N[C@H](C(=O)NCC(=O)[O-])C(C)C)cc1 ZINC000262624494 158830179 /nfs/dbraw/zinc/83/01/79/158830179.db2.gz NKBNFZKJMGPHEE-ZDUSSCGKSA-N -1 0 308.334 0.650 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)O1 ZINC000263001751 158851945 /nfs/dbraw/zinc/85/19/45/158851945.db2.gz VCIBARVGUBDWQJ-WOPDTQHZSA-N -1 0 312.366 0.336 10 0 DCAERM COC[C@](C)(NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000263003212 158852089 /nfs/dbraw/zinc/85/20/89/158852089.db2.gz VJHWDSNNRCQFLH-INIZCTEOSA-N -1 0 322.361 0.639 10 0 DCAERM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263040952 158853875 /nfs/dbraw/zinc/85/38/75/158853875.db2.gz DAHXJJYAGGMOPN-CYBMUJFWSA-N -1 0 320.411 0.371 10 0 DCAERM CC[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000367482074 159340966 /nfs/dbraw/zinc/34/09/66/159340966.db2.gz ZVRTYBNWCYJLSI-NXEZZACHSA-N -1 0 304.368 0.022 10 0 DCAERM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000375655087 159807692 /nfs/dbraw/zinc/80/76/92/159807692.db2.gz XALIOAWUOOPNNT-PSVAKVPMSA-N -1 0 301.320 0.457 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408133498 160044407 /nfs/dbraw/zinc/04/44/07/160044407.db2.gz OZOGUNOZUCLKKJ-GRYCIOLGSA-N -1 0 305.396 0.817 10 0 DCAERM CC[C@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408172754 160052878 /nfs/dbraw/zinc/05/28/78/160052878.db2.gz AANWAMADUSYABG-NOZJJQNGSA-N -1 0 313.379 0.907 10 0 DCAERM C[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)C1 ZINC000408197261 160057253 /nfs/dbraw/zinc/05/72/53/160057253.db2.gz HOGAQWWFAGPTSK-MNOVXSKESA-N -1 0 321.381 0.822 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408446816 160110356 /nfs/dbraw/zinc/11/03/56/160110356.db2.gz RCQMCXNRTADINY-MNOVXSKESA-N -1 0 315.395 0.739 10 0 DCAERM CC(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408483031 160117924 /nfs/dbraw/zinc/11/79/24/160117924.db2.gz JGYFCLWPLHZYLQ-MWLCHTKSSA-N -1 0 301.368 0.286 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1 ZINC000408486204 160118354 /nfs/dbraw/zinc/11/83/54/160118354.db2.gz RVECGUQYNGZEFZ-LLVKDONJSA-N -1 0 315.395 0.659 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)C[C@@H]1F ZINC000408495832 160119580 /nfs/dbraw/zinc/11/95/80/160119580.db2.gz FOYUJFSIJKSMGP-JQWIXIFHSA-N -1 0 301.295 0.968 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cncc(Cl)c1 ZINC000408497937 160119731 /nfs/dbraw/zinc/11/97/31/160119731.db2.gz SEGJGLOAUMXWPR-JTQLQIEISA-N -1 0 304.755 0.974 10 0 DCAERM COC(=O)CCCS(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092436326 286936970 /nfs/dbraw/zinc/93/69/70/286936970.db2.gz GZDLLVQZASPOMF-UHFFFAOYSA-N -1 0 321.273 0.218 10 0 DCAERM CO[C@H](CNS(=O)(=O)N(C)C1CCCCC1)CC(=O)[O-] ZINC000232108308 287064485 /nfs/dbraw/zinc/06/44/85/287064485.db2.gz ZKVDOZKQCXEBTM-NSHDSACASA-N -1 0 308.400 0.575 10 0 DCAERM CO[C@@H](CNS(=O)(=O)N(C)C1CCCCC1)CC(=O)[O-] ZINC000232108307 287064552 /nfs/dbraw/zinc/06/45/52/287064552.db2.gz ZKVDOZKQCXEBTM-LLVKDONJSA-N -1 0 308.400 0.575 10 0 DCAERM Cc1cc(=O)n2nc(CN3CCC[C@@]3(C)C(=O)[O-])sc2n1 ZINC000079487231 415473728 /nfs/dbraw/zinc/47/37/28/415473728.db2.gz XESGQDCWKGGIIB-ZDUSSCGKSA-N -1 0 308.363 0.899 10 0 DCAERM C[C@@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)CS2 ZINC000097053006 415580764 /nfs/dbraw/zinc/58/07/64/415580764.db2.gz QTSUKCRLAKMFQT-HGUJLJSRSA-N -1 0 312.391 0.810 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)C[C@H](C)O1 ZINC000110300392 415685470 /nfs/dbraw/zinc/68/54/70/415685470.db2.gz HXUIGYMVWQVZRZ-QWRGUYRKSA-N -1 0 320.411 0.527 10 0 DCAERM COC(=O)C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000127653495 415889230 /nfs/dbraw/zinc/88/92/30/415889230.db2.gz RGNLGLSMRDDROB-UHFFFAOYSA-N -1 0 304.290 0.268 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccc(Cn2ccnc2)cc1 ZINC000357065566 416028079 /nfs/dbraw/zinc/02/80/79/416028079.db2.gz FUMUQMWXMNAEMW-UHFFFAOYSA-N -1 0 309.333 0.864 10 0 DCAERM COc1nc(NC(=O)c2cnc3ccc(C)cn3c2=O)n[n-]1 ZINC000179704075 416192785 /nfs/dbraw/zinc/19/27/85/416192785.db2.gz KIIUDGVFKBVQAB-UHFFFAOYSA-N -1 0 300.278 0.382 10 0 DCAERM C[C@H](O)CN1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000189704556 416270436 /nfs/dbraw/zinc/27/04/36/416270436.db2.gz HWLWSAIJTOPVOM-VIFPVBQESA-N -1 0 300.305 0.809 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2COc3ccccc3O2)C1 ZINC000261961897 416336083 /nfs/dbraw/zinc/33/60/83/416336083.db2.gz XUTMEQOSVOBTQC-CZUORRHYSA-N -1 0 321.329 0.776 10 0 DCAERM CCCc1ncc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)s1 ZINC000439149878 416607975 /nfs/dbraw/zinc/60/79/75/416607975.db2.gz DXBZYRPZSCGHNU-UHFFFAOYSA-N -1 0 315.380 0.870 10 0 DCAERM CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cn(CC)cn1 ZINC000515081915 416691493 /nfs/dbraw/zinc/69/14/93/416691493.db2.gz RERBCOJGYPNPPJ-NXEZZACHSA-N -1 0 301.368 0.777 10 0 DCAERM NS(=O)(=O)N1CCOCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616660844 417089821 /nfs/dbraw/zinc/08/98/21/417089821.db2.gz QABQDTOIWLCEJD-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000448987187 417113929 /nfs/dbraw/zinc/11/39/29/417113929.db2.gz APNBRFQOTNGZGH-MEDUHNTESA-N -1 0 320.345 0.555 10 0 DCAERM CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408131416 417142132 /nfs/dbraw/zinc/14/21/32/417142132.db2.gz HJNAECIHOVHJKB-BDAKNGLRSA-N -1 0 317.367 0.575 10 0 DCAERM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000632587064 417182556 /nfs/dbraw/zinc/18/25/56/417182556.db2.gz ZQYCROLQHHNVAA-SECBINFHSA-N -1 0 318.782 0.945 10 0 DCAERM C[C@@](O)(CO)CNC(=O)c1cc(O)cc(Br)c1 ZINC000529227928 417428375 /nfs/dbraw/zinc/42/83/75/417428375.db2.gz JTIYDHWWRCCJNE-NSHDSACASA-N -1 0 304.140 0.628 10 0 DCAERM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000530155105 417546982 /nfs/dbraw/zinc/54/69/82/417546982.db2.gz WKWLXDHVXAGGMK-ULAWRXDQSA-N -1 0 320.392 0.932 10 0 DCAERM C/C=C\C[C@@H](NC(=O)NCc1nnc2n1CCCC2)C(=O)[O-] ZINC000575241671 417522035 /nfs/dbraw/zinc/52/20/35/417522035.db2.gz DTEUUBSIFUYTRD-MXQLGCADSA-N -1 0 307.354 0.833 10 0 DCAERM COCCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000547908368 288091005 /nfs/dbraw/zinc/09/10/05/288091005.db2.gz XYIWMBHOMNLFKZ-NSHDSACASA-N -1 0 314.363 0.498 10 0 DCAERM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)N=c1nc(C(C)C)[n-]s1 ZINC000555494830 288352086 /nfs/dbraw/zinc/35/20/86/288352086.db2.gz NAWLSPQWGVXNGN-RKDXNWHRSA-N -1 0 314.411 0.952 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000555858847 288363937 /nfs/dbraw/zinc/36/39/37/288363937.db2.gz KDBICQAZFCKTIK-LLVKDONJSA-N -1 0 324.402 0.927 10 0 DCAERM CCC(=O)N1CCCC[C@H]1C(=O)N[C@H](CCOC)C(=O)[O-] ZINC000262289665 281893146 /nfs/dbraw/zinc/89/31/46/281893146.db2.gz KXQONOGMEONVRE-MNOVXSKESA-N -1 0 300.355 0.383 10 0 DCAERM CN1CC[C@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1=O ZINC000178049624 290193025 /nfs/dbraw/zinc/19/30/25/290193025.db2.gz TUHHLLVSBIQDFG-GXTWGEPZSA-N -1 0 316.357 0.893 10 0 DCAERM CN1C[C@H](NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCC1=O ZINC000263277853 290305344 /nfs/dbraw/zinc/30/53/44/290305344.db2.gz SPADLMHZNJFMCR-FIXISWKDSA-N -1 0 309.366 0.504 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@@H](C)OC[C@H]2CCCO2)C1 ZINC000262998992 293931467 /nfs/dbraw/zinc/93/14/67/293931467.db2.gz KQANLYRTPQLAJO-FDYHWXHSSA-N -1 0 315.366 0.661 10 0 DCAERM CO[C@H](CNC(=O)Cn1ccc(=O)c2ccccc21)C(=O)[O-] ZINC000263090880 294432154 /nfs/dbraw/zinc/43/21/54/294432154.db2.gz MWCZQHLWMDADLM-CYBMUJFWSA-N -1 0 304.302 0.217 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)N1CCOC(C)(C)C1 ZINC000263183381 297741480 /nfs/dbraw/zinc/74/14/80/297741480.db2.gz KNLWMEUKFWSVEV-GHMZBOCLSA-N -1 0 320.411 0.527 10 0 DCAERM O=C1C[C@H]([N-]S(=O)(=O)CC(F)(F)F)[C@@H]2CCCCN12 ZINC000407974494 304648562 /nfs/dbraw/zinc/64/85/62/304648562.db2.gz BMIUVGSRINMTGI-YUMQZZPRSA-N -1 0 300.302 0.622 10 0 DCAERM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000092921364 300664698 /nfs/dbraw/zinc/66/46/98/300664698.db2.gz POZXGAMWKPZAHP-ZNSHCXBVSA-N -1 0 306.384 0.135 10 0 DCAERM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000408478075 303253624 /nfs/dbraw/zinc/25/36/24/303253624.db2.gz PQUWHOFWTNASNE-RNFRBKRXSA-N -1 0 316.301 0.286 10 0 DCAERM NC(=O)CSCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262474789 303254781 /nfs/dbraw/zinc/25/47/81/303254781.db2.gz XEGIAWVFGGZBOA-BBBLOLIVSA-N -1 0 300.380 0.449 10 0 DCAERM CC[C@@](C)(CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000211664678 331589596 /nfs/dbraw/zinc/58/95/96/331589596.db2.gz HMEVIGNGPKZIBE-CABZTGNLSA-N -1 0 306.384 0.316 10 0 DCAERM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC000576630733 341855857 /nfs/dbraw/zinc/85/58/57/341855857.db2.gz ZUTIAKFRGMZQGI-NOHGZBONSA-N -1 0 302.396 0.616 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])C1 ZINC000380046100 341887733 /nfs/dbraw/zinc/88/77/33/341887733.db2.gz ZYENMNOKXSGXLF-SFYZADRCSA-N -1 0 318.317 0.958 10 0 DCAERM CO[C@@H](CNC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(=O)[O-] ZINC000263104486 1185177122 /nfs/dbraw/zinc/17/71/22/1185177122.db2.gz OSQLJVTZMDIQOS-CMPLNLGQSA-N -1 0 302.371 0.389 10 0 DCAERM CCCc1nnc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)o1 ZINC000190354797 521568672 /nfs/dbraw/zinc/56/86/72/521568672.db2.gz YIDKPOCSKGIFIX-UHFFFAOYSA-N -1 0 310.335 0.922 10 0 DCAERM C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)C[C@H](C(=O)[O-])O1 ZINC000237648786 524850644 /nfs/dbraw/zinc/85/06/44/524850644.db2.gz IPUYAMRIEYCEOW-PRHODGIISA-N -1 0 305.290 0.984 10 0 DCAERM CN(C(=O)N1CCCCC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000080990923 545691284 /nfs/dbraw/zinc/69/12/84/545691284.db2.gz AXTAPFHDWUYDET-WDEREUQCSA-N -1 0 318.395 0.555 10 0 DCAERM COCCCS(=O)(=O)N[C@H](C)c1nc(C(=O)[O-])cs1 ZINC000090941049 545716499 /nfs/dbraw/zinc/71/64/99/545716499.db2.gz VFADYCRDZYWLDA-SSDOTTSWSA-N -1 0 308.381 0.858 10 0 DCAERM CC(C)(C)[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000111774580 545735680 /nfs/dbraw/zinc/73/56/80/545735680.db2.gz ZFSRSLZNJIYSJM-QMMMGPOBSA-N -1 0 323.415 0.113 10 0 DCAERM C[C@H](O)[C@@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000159542729 545861262 /nfs/dbraw/zinc/86/12/62/545861262.db2.gz XDTWDZHXSPETSH-TVQRCGJNSA-N -1 0 309.343 0.952 10 0 DCAERM CCCC[C@@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000222747610 545943129 /nfs/dbraw/zinc/94/31/29/545943129.db2.gz FJPJIRFBOLILDD-GARJFASQSA-N -1 0 308.400 0.573 10 0 DCAERM CS(=O)(=O)CCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000252431667 545975012 /nfs/dbraw/zinc/97/50/12/545975012.db2.gz NOOQFSLVCZOFRQ-AXFHLTTASA-N -1 0 303.380 0.665 10 0 DCAERM O=C([O-])Cn1cc(CON2C(=O)c3ccccc3C2=O)nn1 ZINC000725259696 548748939 /nfs/dbraw/zinc/74/89/39/548748939.db2.gz HDGFHWZSXFEYGD-UHFFFAOYSA-N -1 0 302.246 0.091 10 0 DCAERM CCN(CCCCC(=O)[O-])S(=O)(=O)c1cnn(C)c1C ZINC000725066509 658097833 /nfs/dbraw/zinc/09/78/33/658097833.db2.gz GDIGRMYWORJQQG-UHFFFAOYSA-N -1 0 303.384 0.994 10 0 DCAERM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)c1 ZINC000176715882 658559773 /nfs/dbraw/zinc/55/97/73/658559773.db2.gz XQCHEWMBQDMIKA-UHFFFAOYSA-N -1 0 321.358 0.551 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CCO)C2)c(F)c1 ZINC000123160902 659400915 /nfs/dbraw/zinc/40/09/15/659400915.db2.gz TUKFNXBLXPZVPL-VIFPVBQESA-N -1 0 317.338 0.917 10 0 DCAERM CS(=O)(=O)c1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])cc1 ZINC000312986197 659764222 /nfs/dbraw/zinc/76/42/22/659764222.db2.gz RNWSNBBBWXPKAO-IHWYPQMZSA-N -1 0 319.360 0.009 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000262008123 661957167 /nfs/dbraw/zinc/95/71/67/661957167.db2.gz FFGROZBHPDNABO-JHJVBQTASA-N -1 0 308.378 0.862 10 0 DCAERM C[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H]1C(N)=O ZINC000263397244 662683958 /nfs/dbraw/zinc/68/39/58/662683958.db2.gz RONWCIJMBQAZME-BXKDBHETSA-N -1 0 305.334 0.648 10 0 DCAERM Cc1csc([C@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC000730544511 664791598 /nfs/dbraw/zinc/79/15/98/664791598.db2.gz UWZILCSIFQRRAD-QMMMGPOBSA-N -1 0 318.362 0.714 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)n1 ZINC000179645584 665391626 /nfs/dbraw/zinc/39/16/26/665391626.db2.gz WAKQGERHTYYMRL-UHFFFAOYSA-N -1 0 303.731 0.971 10 0 DCAERM COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000183587901 666073987 /nfs/dbraw/zinc/07/39/87/666073987.db2.gz FORAWRKXPYVHDG-SNVBAGLBSA-N -1 0 303.384 0.627 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(c2ncccc2S(C)(=O)=O)C1 ZINC000703741514 667134986 /nfs/dbraw/zinc/13/49/86/667134986.db2.gz JMVZMEHIJRHQIN-LBPRGKRZSA-N -1 0 300.336 0.165 10 0 DCAERM Cn1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)cc1=O ZINC000864144752 667219451 /nfs/dbraw/zinc/21/94/51/667219451.db2.gz FARGTTABMIRIEV-GFCCVEGCSA-N -1 0 308.334 0.243 10 0 DCAERM C[C@@H](CO)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000137657983 667756985 /nfs/dbraw/zinc/75/69/85/667756985.db2.gz ZOFKCDARZHAJKF-LURJTMIESA-N -1 0 309.290 0.664 10 0 DCAERM CCOCCS(=O)(=O)[N-]C(=O)c1cn2ccnc2s1 ZINC000190803755 669928115 /nfs/dbraw/zinc/92/81/15/669928115.db2.gz WETOFLYANCFJQW-UHFFFAOYSA-N -1 0 303.365 0.492 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCO[C@H]1C ZINC000192187105 670136450 /nfs/dbraw/zinc/13/64/50/670136450.db2.gz UREOQBRBLHVBJB-WDEREUQCSA-N -1 0 315.395 0.657 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])C(=O)c1cccnc1Cl ZINC000715769164 670221639 /nfs/dbraw/zinc/22/16/39/670221639.db2.gz ITSHWWQOFYXIBA-UHFFFAOYSA-N -1 0 300.698 0.825 10 0 DCAERM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)n1 ZINC000190637347 670471847 /nfs/dbraw/zinc/47/18/47/670471847.db2.gz GLNODTBSUKIJPW-UHFFFAOYSA-N -1 0 323.374 0.957 10 0 DCAERM CN(C(=O)N1CCC(OCC(=O)[O-])CC1)C1CCOCC1 ZINC000111798520 670510707 /nfs/dbraw/zinc/51/07/07/670510707.db2.gz GLWNJPGZIBLMCF-UHFFFAOYSA-N -1 0 300.355 0.783 10 0 DCAERM O=S(=O)(N[C@H]1CCCN2CCSC[C@@H]12)c1ncc[n-]1 ZINC000720477398 685313614 /nfs/dbraw/zinc/31/36/14/685313614.db2.gz TYYVGHJOGBGODK-UWVGGRQHSA-N -1 0 302.425 0.268 10 0 DCAERM CC[C@H](CNS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)[O-] ZINC000087499907 685091183 /nfs/dbraw/zinc/09/11/83/685091183.db2.gz NAIIASHDEJKRTJ-SECBINFHSA-N -1 0 315.347 0.862 10 0 DCAERM CO[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000383650601 685242611 /nfs/dbraw/zinc/24/26/11/685242611.db2.gz NXNDODZUFIMTMK-JTQLQIEISA-N -1 0 300.336 0.579 10 0 DCAERM C[C@H](CCCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000123265431 1177041701 /nfs/dbraw/zinc/04/17/01/1177041701.db2.gz DZUXZBGUIYFSGY-NXEZZACHSA-N -1 0 306.384 0.316 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)CCC(=O)c2ccccc2)nn1 ZINC000262783042 1185172212 /nfs/dbraw/zinc/17/22/12/1185172212.db2.gz JJZXTPVMMUYNGF-UHFFFAOYSA-N -1 0 316.317 0.642 10 0 DCAERM Cc1nc(CCCC(=O)NCc2cn(CC(=O)[O-])nn2)cs1 ZINC000262819822 1185172514 /nfs/dbraw/zinc/17/25/14/1185172514.db2.gz PMCSPGKOENHBQV-UHFFFAOYSA-N -1 0 323.378 0.767 10 0 DCAERM CO[C@@H](CNC(=O)CNC(=O)CCC1CCCC1)C(=O)[O-] ZINC000263162801 1185176439 /nfs/dbraw/zinc/17/64/39/1185176439.db2.gz YYEOUGSMABRAQE-NSHDSACASA-N -1 0 300.355 0.289 10 0 DCAERM CO[C@@H](CNC(=O)CCc1nc(-c2ccoc2)no1)C(=O)[O-] ZINC000263165683 1185176823 /nfs/dbraw/zinc/17/68/23/1185176823.db2.gz ZOOAGCAFLBHXPD-VIFPVBQESA-N -1 0 309.278 0.478 10 0 DCAERM CO[C@H](CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)C(=O)[O-] ZINC000263154061 1185177104 /nfs/dbraw/zinc/17/71/04/1185177104.db2.gz XJKNNMABCCDSCL-WDEREUQCSA-N -1 0 314.382 0.629 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@H](C[C@H](C)CC)C(=O)[O-] ZINC000400426771 750828061 /nfs/dbraw/zinc/82/80/61/750828061.db2.gz FRYXOSCHTVNCMW-NXEZZACHSA-N -1 0 309.384 0.748 10 0 DCAERM CO[C@@H](C)CN(C(C)C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000688084729 954623136 /nfs/dbraw/zinc/62/31/36/954623136.db2.gz YNPVFCQZUBNROP-QWRGUYRKSA-N -1 0 308.400 0.526 10 0 DCAERM Cc1csc(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000689220694 954647018 /nfs/dbraw/zinc/64/70/18/954647018.db2.gz AFAMBRBNWSRYJA-VIFPVBQESA-N -1 0 319.408 0.377 10 0 DCAERM CS[C@H]1CC[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000689231673 954648330 /nfs/dbraw/zinc/64/83/30/954648330.db2.gz DJXIQAMCWVPGIN-UTLUCORTSA-N -1 0 308.425 0.654 10 0 DCAERM C[C@@H](CC(F)(F)F)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689222966 968891518 /nfs/dbraw/zinc/89/15/18/968891518.db2.gz LCXMPTPTXFWLLS-BQBZGAKWSA-N -1 0 304.290 0.711 10 0 DCAERM C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000690445404 976295651 /nfs/dbraw/zinc/29/56/51/976295651.db2.gz HKXIHZJYQMCHKQ-WPRPVWTQSA-N -1 0 306.384 0.220 10 0 DCAERM O=C([O-])CN(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1 ZINC000692414441 976455189 /nfs/dbraw/zinc/45/51/89/976455189.db2.gz KWNAZLIDHDGDKY-AWEZNQCLSA-N -1 0 306.362 0.868 10 0 DCAERM C/C(=C/CNC(=O)c1c(Br)nnn1C)C(=O)[O-] ZINC000692429945 976469937 /nfs/dbraw/zinc/46/99/37/976469937.db2.gz LXYBPVHIZORPKU-HYXAFXHYSA-N -1 0 303.116 0.338 10 0 DCAERM C/C(=C/CNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000692446585 976482683 /nfs/dbraw/zinc/48/26/83/976482683.db2.gz RRKSHEZBEOYZLS-HYHWUIIZSA-N -1 0 304.368 0.236 10 0 DCAERM CCS(=O)(=O)C1(CNC(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC000693533976 976642023 /nfs/dbraw/zinc/64/20/23/976642023.db2.gz UMVBUOHJXVFRDP-UHFFFAOYSA-N -1 0 304.368 0.118 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000695336313 976792671 /nfs/dbraw/zinc/79/26/71/976792671.db2.gz POPJJFWRQZPBCI-JTQLQIEISA-N -1 0 301.320 0.777 10 0 DCAERM C[C@H](CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)S(C)(=O)=O ZINC000697585004 976850370 /nfs/dbraw/zinc/85/03/70/976850370.db2.gz KHEGBPNCRYLYJI-BXKDBHETSA-N -1 0 306.384 0.316 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000698328283 976889302 /nfs/dbraw/zinc/88/93/02/976889302.db2.gz OLGLHPXNGRZPQL-RYUDHWBXSA-N -1 0 302.396 0.664 10 0 DCAERM CCc1cc2nn(CC(=O)[O-])c(=O)n2c(-n2nc(C)cc2C)n1 ZINC000073695286 191342633 /nfs/dbraw/zinc/34/26/33/191342633.db2.gz FOLIIVJMWCEQEK-UHFFFAOYSA-N -1 0 316.321 0.341 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)C[C@H](C)O1 ZINC000165346072 291248305 /nfs/dbraw/zinc/24/83/05/291248305.db2.gz AWUCVIDTGAKXAC-PHIMTYICSA-N -1 0 320.411 0.575 10 0 DCAERM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000407974406 304110246 /nfs/dbraw/zinc/11/02/46/304110246.db2.gz TXSWEHMWGKHNFO-SECBINFHSA-N -1 0 304.302 0.954 10 0 DCAERM COCCN(CCOC)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090934031 192954449 /nfs/dbraw/zinc/95/44/49/192954449.db2.gz DLLDDUCVQFCNES-UHFFFAOYSA-N -1 0 317.367 0.646 10 0 DCAERM NC(=O)CC[C@@H](NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000019275538 182112097 /nfs/dbraw/zinc/11/20/97/182112097.db2.gz CAGFNUWYKUSWRA-RXMQYKEDSA-N -1 0 319.111 0.491 10 0 DCAERM COc1ccccc1NC(=O)CS(=O)(=O)[C@H](C)C(=O)[O-] ZINC000019955401 182170200 /nfs/dbraw/zinc/17/02/00/182170200.db2.gz KWCFKTFHENIHDF-MRVPVSSYSA-N -1 0 301.320 0.522 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)s2)C1 ZINC000021807868 182291815 /nfs/dbraw/zinc/29/18/15/182291815.db2.gz YSMWQPYHNIFJLP-DTWKUNHWSA-N -1 0 305.377 0.919 10 0 DCAERM COc1ccc([N-]S(=O)(=O)C(F)F)cc1S(N)(=O)=O ZINC000036721973 182837792 /nfs/dbraw/zinc/83/77/92/182837792.db2.gz FMADJOKJNUSYKW-UHFFFAOYSA-N -1 0 316.307 0.307 10 0 DCAERM O=C([O-])[C@]1(NC(=O)CNC(=O)c2cccs2)CCSC1 ZINC000043509897 183368915 /nfs/dbraw/zinc/36/89/15/183368915.db2.gz TZASUZNAELXVGW-LBPRGKRZSA-N -1 0 314.388 0.554 10 0 DCAERM CS(=O)(=O)CCCS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000063015104 184267001 /nfs/dbraw/zinc/26/70/01/184267001.db2.gz GNNFOMYXJPHKFI-UHFFFAOYSA-N -1 0 306.361 0.593 10 0 DCAERM C[C@@H]1CCCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC000235311481 296369846 /nfs/dbraw/zinc/36/98/46/296369846.db2.gz BNCFMAUJMKFYSK-SCVCMEIPSA-N -1 0 303.380 0.523 10 0 DCAERM Nc1nnc(S(=O)(=O)CCOc2ccc(Cl)cc2)[n-]1 ZINC000008015977 395683872 /nfs/dbraw/zinc/68/38/72/395683872.db2.gz ZMGOXSMYQKDMOU-UHFFFAOYSA-N -1 0 302.743 0.893 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000085325761 395699933 /nfs/dbraw/zinc/69/99/33/395699933.db2.gz SAJAFUCFDANJRS-ZRUFSTJUSA-N -1 0 306.384 0.183 10 0 DCAERM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000044617659 395757249 /nfs/dbraw/zinc/75/72/49/395757249.db2.gz CQDRMXHIXGOQLQ-LLVKDONJSA-N -1 0 312.347 0.665 10 0 DCAERM Cn1cc([C@@H]2CCCN2S(=O)(=O)[N-]CC(F)(F)F)cn1 ZINC000195221767 395821807 /nfs/dbraw/zinc/82/18/07/395821807.db2.gz CAJGXVRRYGGVGE-VIFPVBQESA-N -1 0 312.317 0.954 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCCSCC2)C1 ZINC000048896295 395823895 /nfs/dbraw/zinc/82/38/95/395823895.db2.gz ZOIDVHPGZKRQMK-JTQLQIEISA-N -1 0 308.425 0.467 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000195358518 395825393 /nfs/dbraw/zinc/82/53/93/395825393.db2.gz XQKGWOQAVVSVLW-DTWKUNHWSA-N -1 0 318.317 0.263 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)NC[C@]1(O)CCc2ccccc21 ZINC000195432897 395827205 /nfs/dbraw/zinc/82/72/05/395827205.db2.gz MNUMFRFVXATQCS-LLVKDONJSA-N -1 0 324.324 0.807 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000133262865 395929349 /nfs/dbraw/zinc/92/93/49/395929349.db2.gz OZWYHHZCCBAMCZ-DTWKUNHWSA-N -1 0 315.347 0.861 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)C[C@@H](C)O1 ZINC000227617488 395869133 /nfs/dbraw/zinc/86/91/33/395869133.db2.gz YJPFUBSQMFUXGD-MXWKQRLJSA-N -1 0 306.384 0.137 10 0 DCAERM CC(C)CN(CC(=O)[O-])S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000059880885 395959701 /nfs/dbraw/zinc/95/97/01/395959701.db2.gz NJRASVGXXARBCN-QWRGUYRKSA-N -1 0 308.400 0.383 10 0 DCAERM O=c1[n-]cnc(NC2CC(O)C2)c1I ZINC000165298349 396087661 /nfs/dbraw/zinc/08/76/61/396087661.db2.gz IHKFXBWKIOEYNZ-UHFFFAOYSA-N -1 0 307.091 0.310 10 0 DCAERM O=C([O-])Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O ZINC000070459054 396102019 /nfs/dbraw/zinc/10/20/19/396102019.db2.gz DXPAQYGKVFBOSH-UHFFFAOYSA-N -1 0 313.269 0.976 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070556083 396102556 /nfs/dbraw/zinc/10/25/56/396102556.db2.gz QMARFUAXKQLCKV-WDEREUQCSA-N -1 0 315.395 0.959 10 0 DCAERM O=C([O-])[C@@H]1CCC[C@@H](NC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000070572144 396102929 /nfs/dbraw/zinc/10/29/29/396102929.db2.gz BJMCEVNICSZPMN-NXEZZACHSA-N -1 0 304.368 0.070 10 0 DCAERM COCCS(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000302682238 396722476 /nfs/dbraw/zinc/72/24/76/396722476.db2.gz QJKMIGLUHWSCLG-ZETCQYMHSA-N -1 0 307.290 0.596 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000384464645 397281197 /nfs/dbraw/zinc/28/11/97/397281197.db2.gz LJIRBXVUGSSMHS-UWVGGRQHSA-N -1 0 301.368 0.777 10 0 DCAERM CC1(C)CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@]2(CCOC2)O1 ZINC000366589444 397382864 /nfs/dbraw/zinc/38/28/64/397382864.db2.gz KPMBMKRLYOAMJJ-INIZCTEOSA-N -1 0 318.377 0.793 10 0 DCAERM CO[C@@H](C)c1nc(=N[C@H]2CCN(S(C)(=O)=O)C2)s[n-]1 ZINC000400250880 397318469 /nfs/dbraw/zinc/31/84/69/397318469.db2.gz BWRZODYMIGGZHN-YUMQZZPRSA-N -1 0 306.413 0.113 10 0 DCAERM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CCC1(F)F ZINC000370572956 397503018 /nfs/dbraw/zinc/50/30/18/397503018.db2.gz XHBCXJKMQLMQEM-IUCAKERBSA-N -1 0 313.322 0.537 10 0 DCAERM CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2cc[n-]n2c1=O ZINC000606440307 397680872 /nfs/dbraw/zinc/68/08/72/397680872.db2.gz DGZAMQHYARZLGV-MFKMUULPSA-N -1 0 320.393 0.787 10 0 DCAERM CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2cc[n-]n2c1=O ZINC000606440302 397681360 /nfs/dbraw/zinc/68/13/60/397681360.db2.gz DGZAMQHYARZLGV-GWCFXTLKSA-N -1 0 320.393 0.787 10 0 DCAERM Cc1cc(S(=O)(=O)NCc2ccnn2C)sc1C(=O)[O-] ZINC000071333832 158049204 /nfs/dbraw/zinc/04/92/04/158049204.db2.gz FWBZMOYPROIQPA-UHFFFAOYSA-N -1 0 315.376 0.967 10 0 DCAERM CCn1cnc(S(=O)(=O)[N-]c2cnn(CC(=O)OC)c2)c1 ZINC000092910693 158116492 /nfs/dbraw/zinc/11/64/92/158116492.db2.gz BJHWYXQSJWKMOX-UHFFFAOYSA-N -1 0 313.339 0.073 10 0 DCAERM O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1c(F)cccc1F ZINC000113298504 158146711 /nfs/dbraw/zinc/14/67/11/158146711.db2.gz ZFXRYLCGLUQXDB-QMMMGPOBSA-N -1 0 314.317 0.850 10 0 DCAERM Cc1ccc(S(=O)(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cc1 ZINC000170307255 158374729 /nfs/dbraw/zinc/37/47/29/158374729.db2.gz ZCIYGMWUDYTAEU-CYBMUJFWSA-N -1 0 321.358 0.918 10 0 DCAERM COCC[C@@](C)(O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000172117207 158390323 /nfs/dbraw/zinc/39/03/23/158390323.db2.gz QOEHPOIAUGDIOQ-OAHLLOKOSA-N -1 0 305.334 0.440 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000262098897 158773661 /nfs/dbraw/zinc/77/36/61/158773661.db2.gz LZNXBGCFXPQRFO-FXPVBKGRSA-N -1 0 308.359 0.858 10 0 DCAERM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](CF)C(=O)[O-])C1 ZINC000263048205 158853889 /nfs/dbraw/zinc/85/38/89/158853889.db2.gz WGNRATQRBWVENK-AXFHLTTASA-N -1 0 302.346 0.810 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000263569722 158888001 /nfs/dbraw/zinc/88/80/01/158888001.db2.gz ZPLCLFAKXAOZAP-MNOVXSKESA-N -1 0 303.318 0.829 10 0 DCAERM CCn1cnc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000329988691 159133894 /nfs/dbraw/zinc/13/38/94/159133894.db2.gz HLDCCELFHKQULF-GFCCVEGCSA-N -1 0 314.411 0.045 10 0 DCAERM CC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(Cl)c2)C1 ZINC000407990290 160004174 /nfs/dbraw/zinc/00/41/74/160004174.db2.gz LSISLNKAIASMMS-JTQLQIEISA-N -1 0 303.771 0.634 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000408125576 160042037 /nfs/dbraw/zinc/04/20/37/160042037.db2.gz BLQFKCZUGQXPAQ-RCOVLWMOSA-N -1 0 315.351 0.011 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)c(C)c1 ZINC000408192278 160056564 /nfs/dbraw/zinc/05/65/64/160056564.db2.gz MJEOMRJBKBSZFU-LBPRGKRZSA-N -1 0 312.391 0.439 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@H]1CCCOCC1 ZINC000408253658 160070064 /nfs/dbraw/zinc/07/00/64/160070064.db2.gz IXFJQIVIWHLJTF-NEPJUHHUSA-N -1 0 305.396 0.676 10 0 DCAERM CC(C)[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408259770 160071507 /nfs/dbraw/zinc/07/15/07/160071507.db2.gz QBMCEUHEUVPWPS-UPJWGTAASA-N -1 0 319.423 0.920 10 0 DCAERM CC1CCN(C(=O)C(=O)NC2(c3nnn[n-]3)CCCC2)CC1 ZINC000408438420 160107757 /nfs/dbraw/zinc/10/77/57/160107757.db2.gz HYWUKECIOSLESY-UHFFFAOYSA-N -1 0 306.370 0.344 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1C(C)C ZINC000408452625 160110839 /nfs/dbraw/zinc/11/08/39/160110839.db2.gz PLWGNBJGIMQTDV-PWSUYJOCSA-N -1 0 315.395 0.595 10 0 DCAERM Cn1nc(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408477687 160117121 /nfs/dbraw/zinc/11/71/21/160117121.db2.gz OQLJIKRRLAAHAH-UHFFFAOYSA-N -1 0 301.368 0.176 10 0 DCAERM CC[C@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408478924 160117265 /nfs/dbraw/zinc/11/72/65/160117265.db2.gz FATZOKWHRHVLRS-VHSXEESVSA-N -1 0 301.368 0.430 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1 ZINC000408486206 160118679 /nfs/dbraw/zinc/11/86/79/160118679.db2.gz RVECGUQYNGZEFZ-NSHDSACASA-N -1 0 315.395 0.659 10 0 DCAERM C[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000408497552 160119653 /nfs/dbraw/zinc/11/96/53/160119653.db2.gz RMYNCVRVTDRZDY-RNCFNFMXSA-N -1 0 311.359 0.851 10 0 DCAERM CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCO2)cn1 ZINC000408493199 160119774 /nfs/dbraw/zinc/11/97/74/160119774.db2.gz FZAJSJLEFCYHNR-GFCCVEGCSA-N -1 0 301.368 0.838 10 0 DCAERM CC(C)[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408501156 160120432 /nfs/dbraw/zinc/12/04/32/160120432.db2.gz PZVWLUPBEQQQDS-JQWIXIFHSA-N -1 0 315.395 0.676 10 0 DCAERM COC[C@@H](C)S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000399733356 287231055 /nfs/dbraw/zinc/23/10/55/287231055.db2.gz USTLBCAEILIANM-SFYZADRCSA-N -1 0 321.317 0.984 10 0 DCAERM CSC[C@H]1CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000400173120 287231454 /nfs/dbraw/zinc/23/14/54/287231454.db2.gz PMKKJFUROTZIQT-SSDOTTSWSA-N -1 0 305.381 0.624 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@@H]2CCCO2)C1 ZINC000038095980 415195223 /nfs/dbraw/zinc/19/52/23/415195223.db2.gz FQPPBHQJEASVRY-QWRGUYRKSA-N -1 0 306.384 0.187 10 0 DCAERM CC(C)C[C@H](CNS(=O)(=O)c1cnn(C)c1)CC(=O)[O-] ZINC000088273801 415514564 /nfs/dbraw/zinc/51/45/64/415514564.db2.gz WNDVYRGIIIAANX-JTQLQIEISA-N -1 0 303.384 0.835 10 0 DCAERM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c([O-])cccc2F)C1 ZINC000125040159 415854471 /nfs/dbraw/zinc/85/44/71/415854471.db2.gz RJUUJIIHBQDHDD-MRVPVSSYSA-N -1 0 302.327 0.295 10 0 DCAERM COC(=O)c1[nH]c(C)c(C(=O)NC2(c3nnn[n-]3)CC2)c1C ZINC000357041309 416025650 /nfs/dbraw/zinc/02/56/50/416025650.db2.gz DTAMETGAIKGBQK-UHFFFAOYSA-N -1 0 304.310 0.350 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1cccc(Nc2cnccn2)c1 ZINC000357041484 416025720 /nfs/dbraw/zinc/02/57/20/416025720.db2.gz FPGZNNYHBZNPQL-UHFFFAOYSA-N -1 0 322.332 1.152 10 0 DCAERM O=C(CSCC(=O)N1CCCCC1)NC1(c2nnn[n-]2)CC1 ZINC000357049169 416027483 /nfs/dbraw/zinc/02/74/83/416027483.db2.gz HGOUQFPSNISNKI-UHFFFAOYSA-N -1 0 324.410 0.051 10 0 DCAERM O=C([O-])[C@H]1C[C@H](c2ccccc2)CN(C(=O)Cn2cnnn2)C1 ZINC000180344535 416195749 /nfs/dbraw/zinc/19/57/49/416195749.db2.gz MMLLJPQSGXTBPA-STQMWFEESA-N -1 0 315.333 0.390 10 0 DCAERM Cc1ccn(C)c1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000190717625 416280630 /nfs/dbraw/zinc/28/06/30/416280630.db2.gz CFFZLYSULKTETD-NSHDSACASA-N -1 0 300.380 0.962 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)Cc2ccc3n[nH]cc3c2)n[n-]1 ZINC000359374695 416344084 /nfs/dbraw/zinc/34/40/84/416344084.db2.gz XJJUMSPQAYGUDQ-UHFFFAOYSA-N -1 0 320.334 0.266 10 0 DCAERM CC[C@@H]1C[C@@H](CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCO1 ZINC000359493434 416348078 /nfs/dbraw/zinc/34/80/78/416348078.db2.gz BUWZCEFJDJUIFI-DTWKUNHWSA-N -1 0 316.383 0.742 10 0 DCAERM O=C([O-])CNC(=O)CN1CCC[C@@H](COc2ccccc2)C1 ZINC000360991950 416418288 /nfs/dbraw/zinc/41/82/88/416418288.db2.gz XTZXLNRZLCHRLH-CYBMUJFWSA-N -1 0 306.362 0.978 10 0 DCAERM C[C@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CCS1(=O)=O ZINC000424407312 416639763 /nfs/dbraw/zinc/63/97/63/416639763.db2.gz SGLADZDXNHYDID-VIFPVBQESA-N -1 0 306.384 0.316 10 0 DCAERM Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)cc12 ZINC000557481493 416735282 /nfs/dbraw/zinc/73/52/82/416735282.db2.gz NCHXFVAEGVVCAF-SECBINFHSA-N -1 0 312.337 0.799 10 0 DCAERM Cc1csc(CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)n1 ZINC000444822421 416871805 /nfs/dbraw/zinc/87/18/05/416871805.db2.gz JXOHONMMFBLTKP-UHFFFAOYSA-N -1 0 315.380 0.544 10 0 DCAERM C/C=C\C[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000518294726 416848041 /nfs/dbraw/zinc/84/80/41/416848041.db2.gz SDUGYCBQJRIDED-QUCGXOGASA-N -1 0 318.395 0.530 10 0 DCAERM Cn1cc([C@H]([N-]S(=O)(=O)c2c[nH]cn2)C(F)(F)F)cn1 ZINC000446961897 416953785 /nfs/dbraw/zinc/95/37/85/416953785.db2.gz FAWTYKRDKSEWLX-QMMMGPOBSA-N -1 0 309.273 0.725 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1occc1Br ZINC000447635127 417012295 /nfs/dbraw/zinc/01/22/95/417012295.db2.gz WWUGQUXRPNYPFV-UHFFFAOYSA-N -1 0 302.084 0.691 10 0 DCAERM NS(=O)(=O)N1CCO[C@H](c2ccccc2C(=O)[O-])CC1 ZINC000616665883 417090362 /nfs/dbraw/zinc/09/03/62/417090362.db2.gz BIKPDYDHGQRZID-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM NS(=O)(=O)N1CCO[C@@H](c2ccccc2C(=O)[O-])CC1 ZINC000616664842 417090538 /nfs/dbraw/zinc/09/05/38/417090538.db2.gz BIKPDYDHGQRZID-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM CO[C@H]1CN(S(=O)(=O)c2cnc(C)s2)[C@@](C)(C(=O)[O-])C1 ZINC000629309946 417777676 /nfs/dbraw/zinc/77/76/76/417777676.db2.gz NSIJKLRRUDCEFE-LDYMZIIASA-N -1 0 320.392 0.704 10 0 DCAERM COc1ccncc1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000663226696 418002621 /nfs/dbraw/zinc/00/26/21/418002621.db2.gz KOGZSSXGSLWKHA-QWHCGFSZSA-N -1 0 319.361 0.786 10 0 DCAERM CC(C)[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC000655896141 418297816 /nfs/dbraw/zinc/29/78/16/418297816.db2.gz KBRMMLCCZPRPJO-UWVGGRQHSA-N -1 0 306.384 0.172 10 0 DCAERM C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000227867163 545944271 /nfs/dbraw/zinc/94/42/71/545944271.db2.gz ZGUOYCKQOUSFBW-LURJTMIESA-N -1 0 307.759 0.415 10 0 DCAERM CNS(=O)(=O)c1cc(C(=O)N2CCOCC[C@@H]2C)co1 ZINC000362241589 262014299 /nfs/dbraw/zinc/01/42/99/262014299.db2.gz WSQQPZHJTRPOIC-VIFPVBQESA-N -1 0 302.352 0.439 10 0 DCAERM CN(C(=O)N[C@H](C(=O)[O-])C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000399137231 271218322 /nfs/dbraw/zinc/21/83/22/271218322.db2.gz VKIJNUCLPMXZKL-ZJUUUORDSA-N -1 0 304.368 0.068 10 0 DCAERM CCCc1nsc(NC([O-])=C2CCCCS2(=O)=O)n1 ZINC000545966701 288008194 /nfs/dbraw/zinc/00/81/94/288008194.db2.gz AKRSKAKJLMAPGL-MRVPVSSYSA-N -1 0 303.409 0.818 10 0 DCAERM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000408316508 278355527 /nfs/dbraw/zinc/35/55/27/278355527.db2.gz QUEGKLBCQKQGFY-SSDOTTSWSA-N -1 0 302.318 0.868 10 0 DCAERM Cc1nc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])c[nH]1 ZINC000547554411 288057480 /nfs/dbraw/zinc/05/74/80/288057480.db2.gz SVISRULCWLZVCX-SNVBAGLBSA-N -1 0 324.362 0.335 10 0 DCAERM CN(C)S(=O)(=O)Nc1cc(C(=O)[O-])ccc1-n1cnnc1 ZINC000548566889 288155475 /nfs/dbraw/zinc/15/54/75/288155475.db2.gz SLHKGKYQNRNPCY-UHFFFAOYSA-N -1 0 311.323 0.184 10 0 DCAERM CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000367489596 288366450 /nfs/dbraw/zinc/36/64/50/288366450.db2.gz KPRSNGXGSZVRIL-CBAPKCEASA-N -1 0 321.786 0.947 10 0 DCAERM COC[C@H](CO)NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263500837 293110390 /nfs/dbraw/zinc/11/03/90/293110390.db2.gz VKBVPQRWCOWUGH-KBPBESRZSA-N -1 0 324.377 0.769 10 0 DCAERM CO[C@@H]1C[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C12CCC2 ZINC000333969912 293885924 /nfs/dbraw/zinc/88/59/24/293885924.db2.gz VCDJNJYRMDSFSI-GHMZBOCLSA-N -1 0 307.350 0.516 10 0 DCAERM C[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000135841223 298108878 /nfs/dbraw/zinc/10/88/78/298108878.db2.gz KLVWWNAUWGIIJX-SKDRFNHKSA-N -1 0 311.359 0.630 10 0 DCAERM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CCN1CCO ZINC000187280977 300186517 /nfs/dbraw/zinc/18/65/17/300186517.db2.gz YDDKBAGKHWAWMP-VIFPVBQESA-N -1 0 300.305 0.809 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000263477672 300778179 /nfs/dbraw/zinc/77/81/79/300778179.db2.gz TXVDGDGTJLSSDS-MRXNPFEDSA-N -1 0 316.313 0.748 10 0 DCAERM Cn1ncc2c1CCC[C@H]2NC(=O)c1cnc([O-])n(C)c1=O ZINC000267548176 303057917 /nfs/dbraw/zinc/05/79/17/303057917.db2.gz CDDXUZRRDCHWCU-SNVBAGLBSA-N -1 0 303.322 0.027 10 0 DCAERM CCOC(=O)[C@@](Cc1ccc(OC)cc1)(NC(C)=O)C(=O)[O-] ZINC000584651590 337380955 /nfs/dbraw/zinc/38/09/55/337380955.db2.gz NGZBSOOTLDRPTG-HNNXBMFYSA-N -1 0 309.318 0.760 10 0 DCAERM CCOC(=O)[C@](Cc1ccc(OC)cc1)(NC(C)=O)C(=O)[O-] ZINC000584651591 337381013 /nfs/dbraw/zinc/38/10/13/337381013.db2.gz NGZBSOOTLDRPTG-OAHLLOKOSA-N -1 0 309.318 0.760 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])C1 ZINC000380046099 341887642 /nfs/dbraw/zinc/88/76/42/341887642.db2.gz ZYENMNOKXSGXLF-JGVFFNPUSA-N -1 0 318.317 0.958 10 0 DCAERM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000237032724 522433729 /nfs/dbraw/zinc/43/37/29/522433729.db2.gz GEFGSRYDEZWWBF-XQQFMLRXSA-N -1 0 308.378 0.814 10 0 DCAERM O=C([O-])COc1ccc(S(=O)(=O)NCCO)cc1Cl ZINC000057340275 527618800 /nfs/dbraw/zinc/61/88/00/527618800.db2.gz SHZFUCAZYHXYCV-UHFFFAOYSA-N -1 0 309.727 0.074 10 0 DCAERM O=C(CNC(=O)c1cccs1)NC1(C(=O)[O-])CCOCC1 ZINC000131741354 545791913 /nfs/dbraw/zinc/79/19/13/545791913.db2.gz ZSWCOKCHBGAELD-UHFFFAOYSA-N -1 0 312.347 0.228 10 0 DCAERM CCC[C@H](NC(=O)c1cc(C)nc2c1c(=O)[nH]n2C)C(=O)[O-] ZINC000185020326 545912498 /nfs/dbraw/zinc/91/24/98/545912498.db2.gz BTIBLGFZPMHYBU-VIFPVBQESA-N -1 0 306.322 0.553 10 0 DCAERM O=C([O-])CCCC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC000725263951 548749921 /nfs/dbraw/zinc/74/99/21/548749921.db2.gz DCWHIMWHVKDTJW-LLVKDONJSA-N -1 0 303.380 0.667 10 0 DCAERM CC[C@H]1C[C@@H](C(=O)N=S2(=O)CCNCC2)[C@@H](C(=O)[O-])C1 ZINC000712148249 548749240 /nfs/dbraw/zinc/74/92/40/548749240.db2.gz OGMVZSSPPZJCSX-AXFHLTTASA-N -1 0 302.396 0.721 10 0 DCAERM Cc1nc(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cs1 ZINC000180217530 665426074 /nfs/dbraw/zinc/42/60/74/665426074.db2.gz RUXZEPHZINAFGM-SNVBAGLBSA-N -1 0 304.393 0.619 10 0 DCAERM NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262327934 657541893 /nfs/dbraw/zinc/54/18/93/657541893.db2.gz ULTJRYNYMQKQHU-QWHCGFSZSA-N -1 0 320.345 0.523 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000176832515 658063493 /nfs/dbraw/zinc/06/34/93/658063493.db2.gz QPPHQCBOBZALJN-CHWSQXEVSA-N -1 0 316.423 0.896 10 0 DCAERM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000178839621 661627924 /nfs/dbraw/zinc/62/79/24/661627924.db2.gz DAYPGZWJQZFCSW-ZDUSSCGKSA-N -1 0 324.402 0.891 10 0 DCAERM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCC(=O)[O-])C1 ZINC000262114242 662079823 /nfs/dbraw/zinc/07/98/23/662079823.db2.gz HLUJCVVNNXJADB-QWRGUYRKSA-N -1 0 320.411 0.418 10 0 DCAERM CNC(=O)C1(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000262509930 662434037 /nfs/dbraw/zinc/43/40/37/662434037.db2.gz BDAKBQLXRWDENE-ZETCQYMHSA-N -1 0 311.363 0.853 10 0 DCAERM O=C([O-])[C@@H](NC(=O)c1ccc2nccn2c1)[C@H]1CCCOC1 ZINC000262832731 662588753 /nfs/dbraw/zinc/58/87/53/662588753.db2.gz REWZRUCRPHBBOH-AAEUAGOBSA-N -1 0 303.318 0.944 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])C1 ZINC000721255682 663077684 /nfs/dbraw/zinc/07/76/84/663077684.db2.gz OKYBHDGIZICORY-YFKTTZPYSA-N -1 0 302.396 0.616 10 0 DCAERM CO[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[C@@H]1C ZINC000228018100 664542695 /nfs/dbraw/zinc/54/26/95/664542695.db2.gz LGSSLXWWROFYRU-KWQFWETISA-N -1 0 302.352 0.758 10 0 DCAERM COCC1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCC1 ZINC000312488231 664701245 /nfs/dbraw/zinc/70/12/45/664701245.db2.gz JSNAFCUMRSBHPS-UHFFFAOYSA-N -1 0 302.352 0.808 10 0 DCAERM NC(=O)N[C@@H](Cc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000152555242 664763674 /nfs/dbraw/zinc/76/36/74/664763674.db2.gz MHXJGNWFWVCSOO-AWEZNQCLSA-N -1 0 314.345 0.909 10 0 DCAERM O=C([O-])[C@@H]1CSCCN1C(=O)NCCc1ccns1 ZINC000709869475 667445943 /nfs/dbraw/zinc/44/59/43/667445943.db2.gz KSLYIJRHQGODKM-VIFPVBQESA-N -1 0 301.393 0.897 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000037457439 669775080 /nfs/dbraw/zinc/77/50/80/669775080.db2.gz UOXZQGDPVGTTBU-UWVGGRQHSA-N -1 0 306.384 0.170 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)c2c(C)ccn2C)nc1C ZINC000190864951 669940957 /nfs/dbraw/zinc/94/09/57/669940957.db2.gz XNANXRCOVMIWRL-UHFFFAOYSA-N -1 0 310.379 0.977 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)O1 ZINC000189835603 670164858 /nfs/dbraw/zinc/16/48/58/670164858.db2.gz FQVUVBQZERZWIR-VXNVDRBHSA-N -1 0 323.321 0.521 10 0 DCAERM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)O1 ZINC000189835624 670165027 /nfs/dbraw/zinc/16/50/27/670165027.db2.gz FQVUVBQZERZWIR-IONNQARKSA-N -1 0 323.321 0.521 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])CC(=O)NCc1ccccc1 ZINC000715732095 670221153 /nfs/dbraw/zinc/22/11/53/670221153.db2.gz KOBUFUPUQXBFLZ-UHFFFAOYSA-N -1 0 308.334 0.253 10 0 DCAERM COCCS(=O)(=O)[N-]C(=O)c1coc(Br)c1 ZINC000111993262 670532592 /nfs/dbraw/zinc/53/25/92/670532592.db2.gz HININMLOAYETTP-UHFFFAOYSA-N -1 0 312.141 0.748 10 0 DCAERM CC[C@@H](NC(=O)NCc1nn(C)cc1Br)C(=O)[O-] ZINC000393450083 685264708 /nfs/dbraw/zinc/26/47/08/685264708.db2.gz SQYQOSSJGPBNFU-SSDOTTSWSA-N -1 0 319.159 0.845 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)CCn1nc2ccccn2c1=O ZINC000237388815 1180956895 /nfs/dbraw/zinc/95/68/95/1180956895.db2.gz ZOYWDSPAUSYOIX-SNVBAGLBSA-N -1 0 306.322 0.256 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3nccnc3c2)C1 ZINC000261970291 1185161126 /nfs/dbraw/zinc/16/11/26/1185161126.db2.gz PZPHNNYNPUUMBZ-GWCFXTLKSA-N -1 0 301.302 0.944 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCOC[C@@H]2CCCO2)C1 ZINC000262075902 1185161212 /nfs/dbraw/zinc/16/12/12/1185161212.db2.gz ACOANLAZVPDALC-TUAOUCFPSA-N -1 0 301.339 0.273 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CN2CCCCCCC2=O)C1 ZINC000262098135 1185162376 /nfs/dbraw/zinc/16/23/76/1185162376.db2.gz DXOPGLIHPFDUMV-RYUDHWBXSA-N -1 0 312.366 0.480 10 0 DCAERM CO[C@@H](CNC(=O)Cc1c(C)nn(C(F)F)c1C)C(=O)[O-] ZINC000263077600 1185175080 /nfs/dbraw/zinc/17/50/80/1185175080.db2.gz KPZYZIJVRBTEPM-VIFPVBQESA-N -1 0 305.281 0.653 10 0 DCAERM CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263136355 1185176408 /nfs/dbraw/zinc/17/64/08/1185176408.db2.gz DGZQESCHMULFRJ-QWRGUYRKSA-N -1 0 305.396 0.769 10 0 DCAERM O=C(NCc1nnn[n-]1)c1cnc(Cl)c(Br)c1 ZINC000310448813 1190390047 /nfs/dbraw/zinc/39/00/47/1190390047.db2.gz ZLFZCUWILUWXRE-UHFFFAOYSA-N -1 0 317.534 0.941 10 0 DCAERM O=C([O-])c1sccc1S(=O)(=O)N(CCO)CC1CC1 ZINC000688368139 976177148 /nfs/dbraw/zinc/17/71/48/976177148.db2.gz BWYMEIZWCIXZFM-UHFFFAOYSA-N -1 0 305.377 0.839 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CO[C@@H](C3CC3)C2)o1 ZINC000691319993 976353210 /nfs/dbraw/zinc/35/32/10/976353210.db2.gz YQOIAXVCAMNVOK-WCBMZHEXSA-N -1 0 301.320 0.824 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCO[C@H](CCF)C2)c1 ZINC000692044094 976398420 /nfs/dbraw/zinc/39/84/20/976398420.db2.gz AMDCUXUPAUNBNI-SECBINFHSA-N -1 0 307.299 0.727 10 0 DCAERM CN(C(=O)NCC1([S@](C)=O)CCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693027643 976569843 /nfs/dbraw/zinc/56/98/43/976569843.db2.gz DGCHWVCLGFGOJG-AUKWLOTRSA-N -1 0 302.396 0.792 10 0 DCAERM Cn1ncc(Br)c1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000693062825 976586682 /nfs/dbraw/zinc/58/66/82/976586682.db2.gz WUXCANZCBMVTTQ-LURJTMIESA-N -1 0 302.128 0.729 10 0 DCAERM CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC000693378657 976611123 /nfs/dbraw/zinc/61/11/23/976611123.db2.gz JSXHCXARAPBGOI-AEJSXWLSSA-N -1 0 304.368 0.068 10 0 DCAERM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1(C)C ZINC000694179234 976676146 /nfs/dbraw/zinc/67/61/46/976676146.db2.gz WBPQNHYZXPWHCD-UHFFFAOYSA-N -1 0 302.352 0.693 10 0 DCAERM COC(=O)CN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211092 976682326 /nfs/dbraw/zinc/68/23/26/976682326.db2.gz HOLGQDOSGZEQHW-UHFFFAOYSA-N -1 0 305.308 0.550 10 0 DCAERM CCC(F)(F)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000697555467 976848076 /nfs/dbraw/zinc/84/80/76/976848076.db2.gz SNBYYDUQCSYQQN-UHFFFAOYSA-N -1 0 300.327 0.663 10 0 DCAERM CCc1nc(-c2cnccn2)n2c(=O)n(CC(=O)[O-])nc2c1C ZINC000073695149 191342459 /nfs/dbraw/zinc/34/24/59/191342459.db2.gz MNKHTAUVPLVDCE-UHFFFAOYSA-N -1 0 314.305 0.303 10 0 DCAERM CCCN(CC(=O)[O-])C(=O)[C@H](CC(C)C)NS(C)(=O)=O ZINC000038020517 283109672 /nfs/dbraw/zinc/10/96/72/283109672.db2.gz GUKBYGCCYYDMRJ-JTQLQIEISA-N -1 0 308.400 0.274 10 0 DCAERM Cc1nc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c(C)s1 ZINC000180226579 237253366 /nfs/dbraw/zinc/25/33/66/237253366.db2.gz SUQONHDZDSQQHA-SECBINFHSA-N -1 0 304.393 0.999 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164841396 291247567 /nfs/dbraw/zinc/24/75/67/291247567.db2.gz XANLFOISIIAXRY-GXFFZTMASA-N -1 0 315.395 0.959 10 0 DCAERM Cc1c(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cnn1C ZINC000312642394 291251844 /nfs/dbraw/zinc/25/18/44/291251844.db2.gz DIADSNISZPHGTM-ZYHUDNBSSA-N -1 0 301.368 0.650 10 0 DCAERM CCC[C@@H](CNC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000263287408 203452002 /nfs/dbraw/zinc/45/20/02/203452002.db2.gz ZOKKRSPJRPCZLG-LBPRGKRZSA-N -1 0 317.349 0.822 10 0 DCAERM NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000020023689 182179476 /nfs/dbraw/zinc/17/94/76/182179476.db2.gz BMLXJSCFYKHYDN-VIFPVBQESA-N -1 0 302.689 0.928 10 0 DCAERM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCNC(=O)CC1 ZINC000104871122 194048742 /nfs/dbraw/zinc/04/87/42/194048742.db2.gz PJFBUPGCZUPWEU-UHFFFAOYSA-N -1 0 318.308 0.679 10 0 DCAERM COC(=O)c1cc(C(=O)OC)cc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000058836200 184129306 /nfs/dbraw/zinc/12/93/06/184129306.db2.gz QYGMPVQAJZQLCL-SNVBAGLBSA-N -1 0 321.285 0.697 10 0 DCAERM O=C([O-])c1ccccc1S(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000037981871 304271584 /nfs/dbraw/zinc/27/15/84/304271584.db2.gz WWLCFPFXZLMLMW-QMMMGPOBSA-N -1 0 304.345 0.346 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000089426284 395711738 /nfs/dbraw/zinc/71/17/38/395711738.db2.gz QFMXMAYYRZSOKW-NXEZZACHSA-N -1 0 301.368 0.806 10 0 DCAERM CCCc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000037405976 395726789 /nfs/dbraw/zinc/72/67/89/395726789.db2.gz DVLSEJVXBWYWSO-LLVKDONJSA-N -1 0 314.363 0.246 10 0 DCAERM CN(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000040591427 395734444 /nfs/dbraw/zinc/73/44/44/395734444.db2.gz PVYZBWXGIXLUIK-IUCAKERBSA-N -1 0 306.384 0.314 10 0 DCAERM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000044617656 395757241 /nfs/dbraw/zinc/75/72/41/395757241.db2.gz CQDRMXHIXGOQLQ-NSHDSACASA-N -1 0 312.347 0.665 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000133263067 395929321 /nfs/dbraw/zinc/92/93/21/395929321.db2.gz OZWYHHZCCBAMCZ-RKDXNWHRSA-N -1 0 315.347 0.861 10 0 DCAERM COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000133261365 395929331 /nfs/dbraw/zinc/92/93/31/395929331.db2.gz CNCFIKLZTQSYAI-RKDXNWHRSA-N -1 0 315.347 0.861 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000125625036 395904869 /nfs/dbraw/zinc/90/48/69/395904869.db2.gz UOPDKDVZRJORRH-NXEZZACHSA-N -1 0 301.368 0.777 10 0 DCAERM CSCC[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-] ZINC000130767923 395923641 /nfs/dbraw/zinc/92/36/41/395923641.db2.gz VIXYHVSWZQBGLA-VHSXEESVSA-N -1 0 310.441 0.759 10 0 DCAERM C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1c(Cl)cnn1C ZINC000227865873 395869989 /nfs/dbraw/zinc/86/99/89/395869989.db2.gz CUZBLZGKINDGSX-SSDOTTSWSA-N -1 0 309.775 0.995 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC000230812197 395881273 /nfs/dbraw/zinc/88/12/73/395881273.db2.gz JSNPOFCDKMRKDZ-UHFFFAOYSA-N -1 0 307.759 0.607 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000133243580 395928821 /nfs/dbraw/zinc/92/88/21/395928821.db2.gz HRLDTOPJPPGSSD-DTWKUNHWSA-N -1 0 314.363 0.434 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1C(N)=O ZINC000133311731 395928911 /nfs/dbraw/zinc/92/89/11/395928911.db2.gz XCXOOCATUMFGOY-BDAKNGLRSA-N -1 0 314.363 0.481 10 0 DCAERM C[C@@H]1OCCC[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000276785090 396027810 /nfs/dbraw/zinc/02/78/10/396027810.db2.gz IHSRUIZWUFTSTQ-NKWVEPMBSA-N -1 0 320.396 0.663 10 0 DCAERM C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCS1(=O)=O ZINC000155452196 396051550 /nfs/dbraw/zinc/05/15/50/396051550.db2.gz XFWJVZXOONHOSO-MRVPVSSYSA-N -1 0 313.404 0.604 10 0 DCAERM C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262072203 396096171 /nfs/dbraw/zinc/09/61/71/396096171.db2.gz CMRSQPBFNGLORW-SDBXPKJASA-N -1 0 312.347 0.474 10 0 DCAERM CCCC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262249021 396115427 /nfs/dbraw/zinc/11/54/27/396115427.db2.gz PELKZRSFGDZXPJ-FIXISWKDSA-N -1 0 311.382 0.927 10 0 DCAERM COCC[C@H](NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000262346592 396127735 /nfs/dbraw/zinc/12/77/35/396127735.db2.gz YAXNPFXXUVGYRK-ZDUSSCGKSA-N -1 0 322.361 0.639 10 0 DCAERM O=C(CO)N1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000184521790 396297854 /nfs/dbraw/zinc/29/78/54/396297854.db2.gz ZMCZCUOXZFHIMJ-UHFFFAOYSA-N -1 0 316.716 0.461 10 0 DCAERM CCNC(=O)N1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000283030533 396299188 /nfs/dbraw/zinc/29/91/88/396299188.db2.gz RAKSWSRODBBZER-UHFFFAOYSA-N -1 0 318.786 0.989 10 0 DCAERM CN(C)C(=O)N1CCC(C(=O)N2CCC[C@]2(C)C(=O)[O-])CC1 ZINC000315902234 396792949 /nfs/dbraw/zinc/79/29/49/396792949.db2.gz DCOFKQFPOLVLRS-OAHLLOKOSA-N -1 0 311.382 0.846 10 0 DCAERM CCCCN(C)S(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000313606688 396770879 /nfs/dbraw/zinc/77/08/79/396770879.db2.gz CDIZZPOSQUIXJX-LBPRGKRZSA-N -1 0 308.400 0.386 10 0 DCAERM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1c(F)cc(F)cc1F ZINC000625593447 396939840 /nfs/dbraw/zinc/93/98/40/396939840.db2.gz AVJJFUOLFCRNEX-VHSXEESVSA-N -1 0 311.281 0.532 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CC(C)(C)[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000630425898 397017257 /nfs/dbraw/zinc/01/72/57/397017257.db2.gz TYHJBFZMYBHMHL-OPRDCNLKSA-N -1 0 306.384 0.135 10 0 DCAERM O=C([O-])[C@]1(CNS(=O)(=O)c2cccs2)CCCOC1 ZINC000630432125 397019663 /nfs/dbraw/zinc/01/96/63/397019663.db2.gz KWANOUNLDUXOAH-NSHDSACASA-N -1 0 305.377 0.908 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@H]1C ZINC000384459875 397280056 /nfs/dbraw/zinc/28/00/56/397280056.db2.gz KDUGZMZOYAHHBE-ZJUUUORDSA-N -1 0 301.368 0.900 10 0 DCAERM O=C1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)CCN1 ZINC000396721018 397311700 /nfs/dbraw/zinc/31/17/00/397311700.db2.gz UUJYCZONIIRRLL-MRVPVSSYSA-N -1 0 304.318 0.912 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CSC[C@H]2C)C1 ZINC000397820464 397312699 /nfs/dbraw/zinc/31/26/99/397312699.db2.gz UGGGHXCUCXNUFC-NRUUGDAUSA-N -1 0 302.396 0.871 10 0 DCAERM CCO[C@@H]1C[C@@H](NC(=O)N(C)CCC(=O)[O-])[C@]12CCCO2 ZINC000263261898 286257580 /nfs/dbraw/zinc/25/75/80/286257580.db2.gz QMAQVOCXLDISJZ-JTNHKYCSSA-N -1 0 300.355 0.829 10 0 DCAERM CN1CC[C@@H](C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000123183062 158226640 /nfs/dbraw/zinc/22/66/40/158226640.db2.gz RVHCCJYBKUFUIN-ZIAGYGMSSA-N -1 0 318.373 0.915 10 0 DCAERM CCOC(=O)C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000127650038 158275459 /nfs/dbraw/zinc/27/54/59/158275459.db2.gz JDQZHAKMRUWARK-UHFFFAOYSA-N -1 0 318.317 0.658 10 0 DCAERM C[C@H](CCS(C)(=O)=O)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000128154392 158278920 /nfs/dbraw/zinc/27/89/20/158278920.db2.gz AINPWYQYINVRCB-SECBINFHSA-N -1 0 323.374 0.476 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)COc2c(C)nn(C)c2C)C1 ZINC000262080570 158770124 /nfs/dbraw/zinc/77/01/24/158770124.db2.gz AXXCTGZIAGIBIT-QWRGUYRKSA-N -1 0 311.338 0.116 10 0 DCAERM Cc1nc([C@H](C)NC(=O)c2ccc(=O)n(C)n2)sc1C(=O)[O-] ZINC000262572973 158827034 /nfs/dbraw/zinc/82/70/34/158827034.db2.gz NLBWVORGSVOWJT-ZETCQYMHSA-N -1 0 322.346 0.734 10 0 DCAERM CCCCS[C@@H](C)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262792339 158841654 /nfs/dbraw/zinc/84/16/54/158841654.db2.gz KZHMDHDOYCZPEL-VIFPVBQESA-N -1 0 300.384 0.901 10 0 DCAERM Cc1cc(C)n(C[C@@H]2CN(c3cnc(C(=O)[O-])cn3)CCO2)n1 ZINC000262964828 158850026 /nfs/dbraw/zinc/85/00/26/158850026.db2.gz AJYTYPIVVQQRNY-LBPRGKRZSA-N -1 0 317.349 0.894 10 0 DCAERM COCCOC1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000262951528 158850374 /nfs/dbraw/zinc/85/03/74/158850374.db2.gz AWQLKUDBDPLGQW-UHFFFAOYSA-N -1 0 308.334 0.942 10 0 DCAERM C[C@@H](CN(C)C(=O)NCCn1c(=O)oc2ccccc21)C(=O)[O-] ZINC000263177934 158861240 /nfs/dbraw/zinc/86/12/40/158861240.db2.gz DYAQJPPEIUMYQO-JTQLQIEISA-N -1 0 321.333 0.957 10 0 DCAERM CCOC(=O)c1cccc(NC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000263506891 158883159 /nfs/dbraw/zinc/88/31/59/158883159.db2.gz WBDRTTYNSLZIBJ-AWEZNQCLSA-N -1 0 310.306 0.820 10 0 DCAERM O=C(c1cc(F)cc2n[nH]nc21)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000328708289 159023265 /nfs/dbraw/zinc/02/32/65/159023265.db2.gz ZUMZVGUGJVNSIR-GFCCVEGCSA-N -1 0 318.308 0.917 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccccc1F ZINC000364414634 159274590 /nfs/dbraw/zinc/27/45/90/159274590.db2.gz FMWFOHSHKRNFCN-ONGXEEELSA-N -1 0 303.311 0.175 10 0 DCAERM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000408318667 160083820 /nfs/dbraw/zinc/08/38/20/160083820.db2.gz ZZOBMYNZUGYLRG-CSMHCCOUSA-N -1 0 300.302 0.477 10 0 DCAERM CCn1cc([N-]S(=O)(=O)N2CCC[C@H](C)C2)c(C(N)=O)n1 ZINC000408407164 160101886 /nfs/dbraw/zinc/10/18/86/160101886.db2.gz KFWIXKBMAINYNM-VIFPVBQESA-N -1 0 315.399 0.391 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408482691 160117781 /nfs/dbraw/zinc/11/77/81/160117781.db2.gz LCPPFKGLZOZIHC-QWRGUYRKSA-N -1 0 301.368 0.430 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)CCCO1 ZINC000408484180 160118598 /nfs/dbraw/zinc/11/85/98/160118598.db2.gz DGZSOVJQYAELNQ-GFCCVEGCSA-N -1 0 310.335 0.332 10 0 DCAERM CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000408490717 160118863 /nfs/dbraw/zinc/11/88/63/160118863.db2.gz CNLXJTUWAYZVTK-ZJUUUORDSA-N -1 0 302.396 0.667 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408500251 160120254 /nfs/dbraw/zinc/12/02/54/160120254.db2.gz PNFADPRGMBKEOS-YVECIDJPSA-N -1 0 316.423 0.342 10 0 DCAERM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1 ZINC000070303113 286910278 /nfs/dbraw/zinc/91/02/78/286910278.db2.gz ZMNQCHBPKMSKEF-UHFFFAOYSA-N -1 0 309.347 0.936 10 0 DCAERM COc1cccc([C@@H]2C[C@@H]2C(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000080974814 286928006 /nfs/dbraw/zinc/92/80/06/286928006.db2.gz PJNYNPDQEFWBDI-STQMWFEESA-N -1 0 316.361 0.959 10 0 DCAERM CC[C@@H](C)[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000036967652 415189241 /nfs/dbraw/zinc/18/92/41/415189241.db2.gz DDCPOTCUMGCLBS-GMSGAONNSA-N -1 0 303.384 0.815 10 0 DCAERM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000068371568 415396141 /nfs/dbraw/zinc/39/61/41/415396141.db2.gz CLHWYGDPHDZVLI-ZJUUUORDSA-N -1 0 316.361 0.956 10 0 DCAERM COCc1nsc(=NCC(C)(C)N2CCS(=O)CC2)[n-]1 ZINC000333513613 415671123 /nfs/dbraw/zinc/67/11/23/415671123.db2.gz FQCLWWHCDRLSNT-UHFFFAOYSA-N -1 0 318.468 0.361 10 0 DCAERM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCNC1=O ZINC000109420182 415683105 /nfs/dbraw/zinc/68/31/05/415683105.db2.gz PDLLYSWDMILEAZ-SSDOTTSWSA-N -1 0 318.376 0.312 10 0 DCAERM CN1C(=O)CCc2cc(C(=O)NC3(c4nnn[n-]4)CC3)ccc21 ZINC000357053031 416026650 /nfs/dbraw/zinc/02/66/50/416026650.db2.gz KFQOGMFRYIRJAG-UHFFFAOYSA-N -1 0 312.333 0.528 10 0 DCAERM O=C(CCCc1nc(C2CC2)no1)NC1(c2nnn[n-]2)CC1 ZINC000357062143 416029076 /nfs/dbraw/zinc/02/90/76/416029076.db2.gz WCOFDOHTWBEKOU-UHFFFAOYSA-N -1 0 303.326 0.588 10 0 DCAERM CC(C)(C)OCc1cc(C(=O)NC2(c3nnn[n-]3)CC2)no1 ZINC000357076445 416030243 /nfs/dbraw/zinc/03/02/43/416030243.db2.gz VOKSUOIWUJQHAI-UHFFFAOYSA-N -1 0 306.326 0.922 10 0 DCAERM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cn(C)nn2)cc1 ZINC000359469641 416347111 /nfs/dbraw/zinc/34/71/11/416347111.db2.gz RYMSJQFQDIODON-UHFFFAOYSA-N -1 0 309.351 0.599 10 0 DCAERM COc1ccc2c(c1)ncc(C(=O)NCc1n[nH]c(=O)[n-]1)c2O ZINC000359830669 416361525 /nfs/dbraw/zinc/36/15/25/416361525.db2.gz KISKDKLVERTEFP-UHFFFAOYSA-N -1 0 315.289 0.290 10 0 DCAERM Cc1nc(S(=O)(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cn1C ZINC000583500240 416469025 /nfs/dbraw/zinc/46/90/25/416469025.db2.gz QVHXLHNNDALBTQ-WPRPVWTQSA-N -1 0 301.368 0.460 10 0 DCAERM CC(C)[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)c1cccnc1 ZINC000437387140 416584422 /nfs/dbraw/zinc/58/44/22/416584422.db2.gz QPAUJBSEYAFMCU-JTQLQIEISA-N -1 0 323.378 0.982 10 0 DCAERM CCOc1nc2cc(C(=O)NC3(c4nnn[n-]4)CC3)ccc2[nH]1 ZINC000450960495 417285707 /nfs/dbraw/zinc/28/57/07/417285707.db2.gz MTCJUHXNZZFHNX-UHFFFAOYSA-N -1 0 313.321 0.894 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000575053613 417504073 /nfs/dbraw/zinc/50/40/73/417504073.db2.gz RYOQFSMXBAXYDC-LJGSYFOKSA-N -1 0 319.360 0.676 10 0 DCAERM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000575082947 417509117 /nfs/dbraw/zinc/50/91/17/417509117.db2.gz JYBMQZNJTTYUSU-UWVGGRQHSA-N -1 0 321.395 0.558 10 0 DCAERM CCCCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000629307272 417776930 /nfs/dbraw/zinc/77/69/30/417776930.db2.gz CMKMIEQCQBRUJA-CMPLNLGQSA-N -1 0 308.400 0.527 10 0 DCAERM COc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)ccc1F ZINC000358922162 271080675 /nfs/dbraw/zinc/08/06/75/271080675.db2.gz BNHZSTBWOCNSHF-UHFFFAOYSA-N -1 0 314.298 0.608 10 0 DCAERM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccco2)c1 ZINC000437679458 271623410 /nfs/dbraw/zinc/62/34/10/271623410.db2.gz ZWYJVVPPDIQERH-UHFFFAOYSA-N -1 0 316.360 0.989 10 0 DCAERM Cc1cc(F)ccc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000547915169 288091818 /nfs/dbraw/zinc/09/18/18/288091818.db2.gz ZWWCKHDZWHMNAE-SNVBAGLBSA-N -1 0 319.354 0.980 10 0 DCAERM CC(C)[C@@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408487757 280093818 /nfs/dbraw/zinc/09/38/18/280093818.db2.gz WSZOIGRDLZEPIJ-WOPDTQHZSA-N -1 0 305.396 0.673 10 0 DCAERM CC(C)C[C@H](CNC(=O)NC[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000564840010 288775182 /nfs/dbraw/zinc/77/51/82/288775182.db2.gz KBKRHGJSWOBTPY-VHSXEESVSA-N -1 0 308.400 0.466 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000062843070 297044983 /nfs/dbraw/zinc/04/49/83/297044983.db2.gz BIUYSEGBSFODOE-GHMZBOCLSA-N -1 0 320.411 0.527 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C[C@@H](C)O1 ZINC000251546214 297050451 /nfs/dbraw/zinc/05/04/51/297050451.db2.gz BTUIOZUVPOZKRO-CKYFFXLPSA-N -1 0 306.384 0.280 10 0 DCAERM CO[C@@]1(C)C[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1(C)C ZINC000267656233 294157675 /nfs/dbraw/zinc/15/76/75/294157675.db2.gz XEXMUZZGOILRIZ-BONVTDFDSA-N -1 0 309.366 0.762 10 0 DCAERM COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](OC)C(=O)[O-])cc1 ZINC000262852403 295048686 /nfs/dbraw/zinc/04/86/86/295048686.db2.gz GSGRWMKJCQQTHT-LBPRGKRZSA-N -1 0 319.317 0.915 10 0 DCAERM Cc1cccc2[nH]c(CCC(=O)NC[C@@](C)(O)C(=O)[O-])nc21 ZINC000262329197 302050866 /nfs/dbraw/zinc/05/08/66/302050866.db2.gz AQAFCYYEUNYYMI-OAHLLOKOSA-N -1 0 305.334 0.756 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000227866053 303049465 /nfs/dbraw/zinc/04/94/65/303049465.db2.gz PCTTYUIEABYQQF-QMMMGPOBSA-N -1 0 307.759 0.701 10 0 DCAERM Cn1nccc1S(=O)(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000252879323 303068783 /nfs/dbraw/zinc/06/87/83/303068783.db2.gz YTDRXMKWVCTINT-AXFHLTTASA-N -1 0 313.379 0.827 10 0 DCAERM CCc1nc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cs1 ZINC000570089159 332710454 /nfs/dbraw/zinc/71/04/54/332710454.db2.gz XXVOKIZBEBZKGH-VIFPVBQESA-N -1 0 319.408 0.589 10 0 DCAERM C[C@@H](CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-] ZINC000392833590 337066307 /nfs/dbraw/zinc/06/63/07/337066307.db2.gz JEOFAYZBHLPYFA-GARJFASQSA-N -1 0 308.400 0.431 10 0 DCAERM C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000246165233 524326536 /nfs/dbraw/zinc/32/65/36/524326536.db2.gz AQHFNATYJSDSHV-APMVHDFESA-N -1 0 306.366 0.621 10 0 DCAERM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000044615332 545651603 /nfs/dbraw/zinc/65/16/03/545651603.db2.gz AWFSGWBYWKBVKL-NSHDSACASA-N -1 0 314.363 0.993 10 0 DCAERM O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cncc(F)c1 ZINC000089427184 545713544 /nfs/dbraw/zinc/71/35/44/545713544.db2.gz LCXZTOOZXWRTFO-LDYMZIIASA-N -1 0 302.327 1.000 10 0 DCAERM CC(C)(CNC(=O)NCC1(C(=O)[O-])CCC1)S(C)(=O)=O ZINC000166789543 545877547 /nfs/dbraw/zinc/87/75/47/545877547.db2.gz CHVYJEMNUCNBKT-UHFFFAOYSA-N -1 0 306.384 0.364 10 0 DCAERM CC[C@H]1COCCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166130449 545878342 /nfs/dbraw/zinc/87/83/42/545878342.db2.gz LQHAVFLINONRGG-NSHDSACASA-N -1 0 300.355 0.688 10 0 DCAERM Cc1ccn2ncc(C(=O)N3C[C@@H](C)O[C@@H](C(=O)[O-])C3)c2n1 ZINC000262106088 545979608 /nfs/dbraw/zinc/97/96/08/545979608.db2.gz DEZNJZHKUQIMGI-MWLCHTKSSA-N -1 0 304.306 0.352 10 0 DCAERM CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H]1CCCOC1 ZINC000723746252 657491050 /nfs/dbraw/zinc/49/10/50/657491050.db2.gz LPRXFVBDGFRTET-QWRGUYRKSA-N -1 0 308.400 0.433 10 0 DCAERM CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000724191075 658042601 /nfs/dbraw/zinc/04/26/01/658042601.db2.gz CDXILQUYOPTCGS-HBNTYKKESA-N -1 0 306.384 0.137 10 0 DCAERM CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000757175896 658636650 /nfs/dbraw/zinc/63/66/50/658636650.db2.gz NSHWEKLIZXPPRT-JGVFFNPUSA-N -1 0 308.356 0.046 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCCC1)c1cn2ccnc2s1 ZINC000190779612 659374441 /nfs/dbraw/zinc/37/44/41/659374441.db2.gz SMXBBXYVURNCSY-UHFFFAOYSA-N -1 0 300.365 0.466 10 0 DCAERM Cc1ncoc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262144958 662111582 /nfs/dbraw/zinc/11/15/82/662111582.db2.gz IXBGIXAHLZZNFN-SNVBAGLBSA-N -1 0 309.322 0.378 10 0 DCAERM CNC(=O)C1(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000262509929 662434050 /nfs/dbraw/zinc/43/40/50/662434050.db2.gz BDAKBQLXRWDENE-SSDOTTSWSA-N -1 0 311.363 0.853 10 0 DCAERM CN(CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000263452081 662689862 /nfs/dbraw/zinc/68/98/62/662689862.db2.gz OKBHLCQJGSFFKY-ZJUUUORDSA-N -1 0 306.384 0.028 10 0 DCAERM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cccc2ncccc21 ZINC000163222352 663452491 /nfs/dbraw/zinc/45/24/91/663452491.db2.gz MYHYDDQKDJSYSA-LLVKDONJSA-N -1 0 310.331 0.349 10 0 DCAERM COC(C)(C)C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000183596047 666078371 /nfs/dbraw/zinc/07/83/71/666078371.db2.gz UVHAODOGFOTMSI-UHFFFAOYSA-N -1 0 303.384 0.769 10 0 DCAERM O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733722656 666808427 /nfs/dbraw/zinc/80/84/27/666808427.db2.gz HBNRUXPKKUUDDO-NSHDSACASA-N -1 0 309.347 0.271 10 0 DCAERM Cn1cccc(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)c1=O ZINC000864145520 667219033 /nfs/dbraw/zinc/21/90/33/667219033.db2.gz NOBXKUGQQMQJRS-GFCCVEGCSA-N -1 0 308.334 0.243 10 0 DCAERM Cn1cc(Cl)c(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)n1 ZINC000864281772 667231564 /nfs/dbraw/zinc/23/15/64/667231564.db2.gz YJHZYBLKRJLCTA-SECBINFHSA-N -1 0 315.757 0.931 10 0 DCAERM O=C([O-])[C@H]1CSCCN1C(=O)NCCc1ccns1 ZINC000709869473 667445862 /nfs/dbraw/zinc/44/58/62/667445862.db2.gz KSLYIJRHQGODKM-SECBINFHSA-N -1 0 301.393 0.897 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H]1CCC(C)(C)CO1 ZINC000711278826 667457263 /nfs/dbraw/zinc/45/72/63/667457263.db2.gz VUQQXKNLKCGTLD-SNVBAGLBSA-N -1 0 308.400 0.433 10 0 DCAERM Cc1nc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c2ccccn12 ZINC000741278324 667765726 /nfs/dbraw/zinc/76/57/26/667765726.db2.gz KFKLKEWLDJXWHU-UHFFFAOYSA-N -1 0 320.334 0.417 10 0 DCAERM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000192436410 670165403 /nfs/dbraw/zinc/16/54/03/670165403.db2.gz VZEOUZUOIBPJSD-ZETCQYMHSA-N -1 0 304.328 0.669 10 0 DCAERM CO[C@]1(CNC(=O)N2CC3CC2(C(=O)[O-])C3)CCSC1 ZINC000719255317 685309354 /nfs/dbraw/zinc/30/93/54/685309354.db2.gz CQGCKDOGLBXCAC-YHECAPGISA-N -1 0 300.380 0.767 10 0 DCAERM COC(C)(C)[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000720056489 685311853 /nfs/dbraw/zinc/31/18/53/685311853.db2.gz LLIRXIROEXJMEE-VIFPVBQESA-N -1 0 308.400 0.431 10 0 DCAERM C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000037793515 685054738 /nfs/dbraw/zinc/05/47/38/685054738.db2.gz MPSWDFVXGLRTPM-MRVPVSSYSA-N -1 0 300.336 0.376 10 0 DCAERM O=C([O-])[C@@]1(O)CCN(C(=O)c2coc(Br)c2)C1 ZINC000386763700 685250034 /nfs/dbraw/zinc/25/00/34/685250034.db2.gz IPLCMOHNWORIDX-SNVBAGLBSA-N -1 0 304.096 0.704 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000262086031 1185160855 /nfs/dbraw/zinc/16/08/55/1185160855.db2.gz BXUPNLMPYXUDDP-NEPJUHHUSA-N -1 0 321.329 0.701 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC000262136781 1185162327 /nfs/dbraw/zinc/16/23/27/1185162327.db2.gz LJKFMTUYVMMPKG-YUSALJHKSA-N -1 0 312.366 0.382 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)COCCc2ccccc2)C1 ZINC000262150324 1185162718 /nfs/dbraw/zinc/16/27/18/1185162718.db2.gz NLOFDPVIPCSLBS-UONOGXRCSA-N -1 0 307.346 0.946 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000262220474 1185164003 /nfs/dbraw/zinc/16/40/03/1185164003.db2.gz ZRMYDYBLXPVRPZ-GXSJLCMTSA-N -1 0 319.379 0.044 10 0 DCAERM CO[C@H](CNC(=O)CCc1nc(-c2ccoc2)no1)C(=O)[O-] ZINC000263165680 1185176461 /nfs/dbraw/zinc/17/64/61/1185176461.db2.gz ZOOAGCAFLBHXPD-SECBINFHSA-N -1 0 309.278 0.478 10 0 DCAERM CN([C@@H](CO)C(C)(C)C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689339138 954656803 /nfs/dbraw/zinc/65/68/03/954656803.db2.gz YDWLTJRSLDQLCU-UWVGGRQHSA-N -1 0 308.400 0.119 10 0 DCAERM Cn1cc(Br)c(C(=O)Nc2cc(C(=O)[O-])n[nH]2)n1 ZINC000693070361 954726819 /nfs/dbraw/zinc/72/68/19/954726819.db2.gz QOYWJEWSQLZATE-UHFFFAOYSA-N -1 0 314.099 0.856 10 0 DCAERM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000696842035 954821233 /nfs/dbraw/zinc/82/12/33/954821233.db2.gz PORGVHYARSNJNE-GRYCIOLGSA-N -1 0 305.396 0.375 10 0 DCAERM CN(CC(F)(F)Br)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000694802751 968951997 /nfs/dbraw/zinc/95/19/97/968951997.db2.gz OEIYFWQCEADKIB-ZCFIWIBFSA-N -1 0 315.114 0.591 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@H](C)[C@H]1O ZINC000688064311 976165559 /nfs/dbraw/zinc/16/55/59/976165559.db2.gz QLCLZUUHEBDTHK-MTBHXBHISA-N -1 0 304.324 0.010 10 0 DCAERM C[C@H](O)CN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000691517284 976361768 /nfs/dbraw/zinc/36/17/68/976361768.db2.gz YQLPASREHLNYCJ-ZETCQYMHSA-N -1 0 305.377 0.980 10 0 DCAERM CS(=O)(=O)CCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000692813974 976549513 /nfs/dbraw/zinc/54/95/13/976549513.db2.gz LFOSWSMNBBRQKX-WDEREUQCSA-N -1 0 305.396 0.818 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1 ZINC000694195175 976679268 /nfs/dbraw/zinc/67/92/68/976679268.db2.gz YTBALMLSUJJQLE-UHFFFAOYSA-N -1 0 317.319 0.505 10 0 DCAERM O=C([O-])c1cc(C(=O)NC[C@H]2CCCCS2(=O)=O)c[nH]1 ZINC000694517625 976696117 /nfs/dbraw/zinc/69/61/17/976696117.db2.gz XWZFDKWSVPYNAI-SECBINFHSA-N -1 0 300.336 0.410 10 0 DCAERM C[C@H](CNC(=O)c1ccsc1CC(=O)[O-])S(C)(=O)=O ZINC000697621329 976853263 /nfs/dbraw/zinc/85/32/63/976853263.db2.gz SYWBNFRHEZIDMT-SSDOTTSWSA-N -1 0 305.377 0.538 10 0 DCAERM C[C@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)S(C)(=O)=O ZINC000697635785 976854965 /nfs/dbraw/zinc/85/49/65/976854965.db2.gz KWYKBPVEXWLEHM-SNVBAGLBSA-N -1 0 305.396 0.961 10 0 DCAERM CC[C@H](NS(=O)(=O)c1c(C)csc1C(=O)[O-])C(=O)NC ZINC000697819138 976864033 /nfs/dbraw/zinc/86/40/33/976864033.db2.gz FPYUGDHUPNZMCA-ZETCQYMHSA-N -1 0 320.392 0.558 10 0 DCAERM C[C@@](O)(CNS(=O)(=O)c1ccc(C(=O)[O-])o1)C(F)(F)F ZINC000698594672 976895508 /nfs/dbraw/zinc/89/55/08/976895508.db2.gz JMBZXIHYPZSQOK-MRVPVSSYSA-N -1 0 317.241 0.569 10 0 DCAERM O=C([O-])CN1CCN(C(=O)c2occc2Br)CC1 ZINC000699940995 976929761 /nfs/dbraw/zinc/92/97/61/976929761.db2.gz FIGXXJYOVMVKRD-UHFFFAOYSA-N -1 0 317.139 0.885 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000262106768 295846606 /nfs/dbraw/zinc/84/66/06/295846606.db2.gz GFESVEBZCRUIFB-QMMMGPOBSA-N -1 0 304.302 0.896 10 0 DCAERM O=C([O-])Cn1c2ccsc2c(=O)n(Cc2ccncc2)c1=O ZINC000073661110 191337908 /nfs/dbraw/zinc/33/79/08/191337908.db2.gz LLHQNVVWJCFYIG-UHFFFAOYSA-N -1 0 317.326 0.753 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cnn2c1CCCC2 ZINC000180202731 237251944 /nfs/dbraw/zinc/25/19/44/237251944.db2.gz HHBNJACUJICIEN-SNVBAGLBSA-N -1 0 313.379 0.458 10 0 DCAERM COC(=O)[C@H](Cc1ccccc1)NC(=O)CSCC(=O)[O-] ZINC000157612846 291229013 /nfs/dbraw/zinc/22/90/13/291229013.db2.gz UKMYRHYIHAECFU-NSHDSACASA-N -1 0 311.359 0.705 10 0 DCAERM CN(C(=O)NCC1(CC(=O)[O-])CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000165046997 291248210 /nfs/dbraw/zinc/24/82/10/291248210.db2.gz BCPMYHMJENEBNZ-JTQLQIEISA-N -1 0 318.395 0.460 10 0 DCAERM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(F)cc1 ZINC000006537393 181351971 /nfs/dbraw/zinc/35/19/71/181351971.db2.gz UNXQUSWWSBJXCJ-NSHDSACASA-N -1 0 313.310 0.523 10 0 DCAERM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)N1CCCC[C@@H]1C ZINC000267558055 296108351 /nfs/dbraw/zinc/10/83/51/296108351.db2.gz FTLPDFJUNSGKEC-VHSXEESVSA-N -1 0 322.365 0.005 10 0 DCAERM CN(C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1 ZINC000228813574 261153932 /nfs/dbraw/zinc/15/39/32/261153932.db2.gz MHXKJQZNDORSFV-ZDUSSCGKSA-N -1 0 301.343 0.722 10 0 DCAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)N1CCCCC1 ZINC000231932694 304157589 /nfs/dbraw/zinc/15/75/89/304157589.db2.gz QFCUMCAOBLGUKZ-UTUOFQBUSA-N -1 0 302.396 0.902 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1Cl ZINC000013028469 181825150 /nfs/dbraw/zinc/82/51/50/181825150.db2.gz VTUPVYJSGZEJBG-CBAPKCEASA-N -1 0 305.739 0.549 10 0 DCAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000262282061 304167264 /nfs/dbraw/zinc/16/72/64/304167264.db2.gz VYKOAXGYNGFQBG-GBIKHYSHSA-N -1 0 301.364 0.134 10 0 DCAERM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCCC3)C2=O)cc1O ZINC000019766921 182144286 /nfs/dbraw/zinc/14/42/86/182144286.db2.gz DOCZECZQNAGAPL-NSHDSACASA-N -1 0 304.302 0.818 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCOC2=O)ccc1Cl ZINC000019981201 182173069 /nfs/dbraw/zinc/17/30/69/182173069.db2.gz OEXONHBCZXSJMB-SECBINFHSA-N -1 0 319.722 0.632 10 0 DCAERM COc1ccc(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000036967178 182856124 /nfs/dbraw/zinc/85/61/24/182856124.db2.gz ZXWNXQYCNXJADN-GZMMTYOYSA-N -1 0 303.336 0.116 10 0 DCAERM CCn1cc(S(=O)(=O)NCCn2ccnc2)cc1C(=O)[O-] ZINC000041119913 183167221 /nfs/dbraw/zinc/16/72/21/183167221.db2.gz FNRNEBHQZCUGFI-UHFFFAOYSA-N -1 0 312.351 0.381 10 0 DCAERM COC[C@@H](O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000042510271 183278971 /nfs/dbraw/zinc/27/89/71/183278971.db2.gz NDBFEZNVDLKQLS-QMMMGPOBSA-N -1 0 309.365 0.074 10 0 DCAERM C[C@H](O)[C@H](NC(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000061860212 184190068 /nfs/dbraw/zinc/19/00/68/184190068.db2.gz APXMRKIMMJXUDS-XNCJUZBTSA-N -1 0 303.112 0.408 10 0 DCAERM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263541764 291855823 /nfs/dbraw/zinc/85/58/23/291855823.db2.gz DIDIQSRNOXVYKJ-LPEHRKFASA-N -1 0 305.352 0.207 10 0 DCAERM O=C([O-])c1cncc(N2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)n1 ZINC000072475154 304279405 /nfs/dbraw/zinc/27/94/05/304279405.db2.gz YVYRMUDSRXQSLI-VIFPVBQESA-N -1 0 306.322 0.208 10 0 DCAERM Cn1c(=O)c2c(C(=O)[O-])cc(-c3ccccc3)nc2n(C)c1=O ZINC000011567424 395686651 /nfs/dbraw/zinc/68/66/51/395686651.db2.gz OVBFRCZVHLRGGC-UHFFFAOYSA-N -1 0 311.297 0.997 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000085327462 395699730 /nfs/dbraw/zinc/69/97/30/395699730.db2.gz FWDCSFCLQBXTSD-WHOHXGKFSA-N -1 0 320.411 0.573 10 0 DCAERM CCCC[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000035410837 395720602 /nfs/dbraw/zinc/72/06/02/395720602.db2.gz FJPJIRFBOLILDD-OUAUKWLOSA-N -1 0 308.400 0.573 10 0 DCAERM Cc1ccc(F)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000037462083 395727529 /nfs/dbraw/zinc/72/75/29/395727529.db2.gz KQJJHELDZCINKB-WCBMZHEXSA-N -1 0 303.311 0.343 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1C(N)=O ZINC000133312325 395929206 /nfs/dbraw/zinc/92/92/06/395929206.db2.gz XCXOOCATUMFGOY-DTWKUNHWSA-N -1 0 314.363 0.481 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000227867042 395870643 /nfs/dbraw/zinc/87/06/43/395870643.db2.gz RJKKWFZICKXCKC-SNVBAGLBSA-N -1 0 307.759 0.701 10 0 DCAERM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCO[C@@H]1C ZINC000149356695 395969800 /nfs/dbraw/zinc/96/98/00/395969800.db2.gz MQNVHJJPDPNNLG-PSASIEDQSA-N -1 0 315.347 0.849 10 0 DCAERM Cc1nc2[n-]c(S(=O)(=O)CCO)nc2cc1Br ZINC000152033937 395998066 /nfs/dbraw/zinc/99/80/66/395998066.db2.gz NUPMXXOTTSAWEF-UHFFFAOYSA-N -1 0 320.168 0.795 10 0 DCAERM CCCC[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000262384418 396133508 /nfs/dbraw/zinc/13/35/08/396133508.db2.gz HMSVDFVJOAXYGT-SECBINFHSA-N -1 0 301.368 0.751 10 0 DCAERM C[C@@H](CCO)Nc1nc[n-]c(=O)c1I ZINC000162152730 396079554 /nfs/dbraw/zinc/07/95/54/396079554.db2.gz VLXPYNHKHIEKRY-YFKPBYRVSA-N -1 0 309.107 0.557 10 0 DCAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)C1 ZINC000263188337 396205367 /nfs/dbraw/zinc/20/53/67/396205367.db2.gz XMIUBUKAQBCXTG-MNOVXSKESA-N -1 0 314.382 0.629 10 0 DCAERM CCn1nccc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263222286 396206947 /nfs/dbraw/zinc/20/69/47/396206947.db2.gz PHUQLHQRODLUPS-UWVGGRQHSA-N -1 0 301.368 0.777 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CCOC[C@@H]2CCCO2)C1 ZINC000263139387 396202778 /nfs/dbraw/zinc/20/27/78/396202778.db2.gz UBGKTDDINNKERZ-RWMBFGLXSA-N -1 0 315.366 0.663 10 0 DCAERM C[C@@H](CN(C)C(=O)Cn1c2ccccc2[nH]c1=O)c1nnn[n-]1 ZINC000183395737 396269398 /nfs/dbraw/zinc/26/93/98/396269398.db2.gz WXDFRULLLARMJL-VIFPVBQESA-N -1 0 315.337 0.105 10 0 DCAERM O=C([O-])CCNC(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000263338935 396214379 /nfs/dbraw/zinc/21/43/79/396214379.db2.gz DYDJGGJVTBQVDS-IUODEOHRSA-N -1 0 310.325 0.971 10 0 DCAERM CC(C)C[C@H](CO)N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000186637189 396353999 /nfs/dbraw/zinc/35/39/99/396353999.db2.gz QAFMIMKLIOPZQA-SNVBAGLBSA-N -1 0 320.349 0.090 10 0 DCAERM Cc1ncc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1C#N ZINC000313023248 396767888 /nfs/dbraw/zinc/76/78/88/396767888.db2.gz DEDUWBFETMHXCK-JTQLQIEISA-N -1 0 313.360 0.410 10 0 DCAERM C[S@@](=O)C1(CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000596655498 396811066 /nfs/dbraw/zinc/81/10/66/396811066.db2.gz WEAFCZAVYAABOJ-WVDJIFEKSA-N -1 0 302.396 0.698 10 0 DCAERM CC(C)Cn1ncc2cc(C(=O)NCc3nnn[n-]3)cnc21 ZINC000600503590 396876653 /nfs/dbraw/zinc/87/66/53/396876653.db2.gz WOEGSPDKVZVJOT-UHFFFAOYSA-N -1 0 300.326 0.530 10 0 DCAERM O=C([O-])[C@H]1CN(S(=O)(=O)N2CCCCC2)CCC1(F)F ZINC000376635891 396955629 /nfs/dbraw/zinc/95/56/29/396955629.db2.gz BIOFAQBOECWADH-SECBINFHSA-N -1 0 312.338 0.759 10 0 DCAERM O=C1CC[C@@H]([N-]S(=O)(=O)CC(F)(F)F)[C@@H](C2CC2)N1 ZINC000408017449 397343620 /nfs/dbraw/zinc/34/36/20/397343620.db2.gz RZFRSELMPAEUKD-VXNVDRBHSA-N -1 0 300.302 0.525 10 0 DCAERM C[C@]1(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)CCCNC1=O ZINC000408068200 397346414 /nfs/dbraw/zinc/34/64/14/397346414.db2.gz RUEPZGBGGODHNR-XPTSAGLGSA-N -1 0 308.338 0.398 10 0 DCAERM CSc1ncc(Cl)c(C(=O)NC2(c3nnn[n-]3)CC2)n1 ZINC000578411869 397431800 /nfs/dbraw/zinc/43/18/00/397431800.db2.gz BBBKDDNFFWOZCZ-UHFFFAOYSA-N -1 0 311.758 0.784 10 0 DCAERM COc1cc(C(=O)NCc2cn(CC(=O)[O-])nn2)ccc1C ZINC000262117805 158774913 /nfs/dbraw/zinc/77/49/13/158774913.db2.gz KKZQNKDFDQIGAF-UHFFFAOYSA-N -1 0 304.306 0.610 10 0 DCAERM CN1CC[C@@H](C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1=O ZINC000262168652 158781208 /nfs/dbraw/zinc/78/12/08/158781208.db2.gz LFCDRWWFVRLVBT-SNVBAGLBSA-N -1 0 306.318 0.957 10 0 DCAERM CC(C)(C)OCC[C@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-] ZINC000262177647 158782299 /nfs/dbraw/zinc/78/22/99/158782299.db2.gz MAXSZILLIBNPQA-NSHDSACASA-N -1 0 323.349 0.569 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCc2nnc3n2CCCCC3)O1 ZINC000262304770 158794616 /nfs/dbraw/zinc/79/46/16/158794616.db2.gz OMLITNSZSHCSQI-WDEREUQCSA-N -1 0 322.365 0.295 10 0 DCAERM CCC(=O)N1CCCC[C@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262485452 158817514 /nfs/dbraw/zinc/81/75/14/158817514.db2.gz LEMDZGNUOQLUGK-NSHDSACASA-N -1 0 312.366 0.216 10 0 DCAERM CO[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@@H]1OC ZINC000262545741 158823897 /nfs/dbraw/zinc/82/38/97/158823897.db2.gz RTEKFLYNIAKOCG-BETUJISGSA-N -1 0 308.334 0.940 10 0 DCAERM C[C@@H](C(=O)[O-])N(C(=O)CCn1nc2ccccn2c1=O)C1CC1 ZINC000262666068 158832668 /nfs/dbraw/zinc/83/26/68/158832668.db2.gz VUPFQXOAWVYICN-JTQLQIEISA-N -1 0 318.333 0.350 10 0 DCAERM NC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc1 ZINC000262901900 158847094 /nfs/dbraw/zinc/84/70/94/158847094.db2.gz XSNSJVBMTALOLY-NEPJUHHUSA-N -1 0 306.318 0.395 10 0 DCAERM COc1ccc(C(=O)CCC(=O)NC[C@@H](OC)C(=O)[O-])cc1 ZINC000263085536 158854837 /nfs/dbraw/zinc/85/48/37/158854837.db2.gz MAPNVLJUJLZSKO-CYBMUJFWSA-N -1 0 309.318 0.874 10 0 DCAERM COC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)C(=O)[O-] ZINC000263382170 158876310 /nfs/dbraw/zinc/87/63/10/158876310.db2.gz BNCADFRILGOTPE-YPMHNXCESA-N -1 0 320.345 0.564 10 0 DCAERM CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000367489598 159340757 /nfs/dbraw/zinc/34/07/57/159340757.db2.gz KPRSNGXGSZVRIL-VXNVDRBHSA-N -1 0 321.786 0.947 10 0 DCAERM CC(C)(C)c1n[nH]cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408133753 160044392 /nfs/dbraw/zinc/04/43/92/160044392.db2.gz QNBBHEQEDAHZQJ-SECBINFHSA-N -1 0 315.395 0.946 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408147213 160047846 /nfs/dbraw/zinc/04/78/46/160047846.db2.gz BAJQLNXBQDFOFH-WDEREUQCSA-N -1 0 315.395 0.739 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)O1 ZINC000408174760 160052721 /nfs/dbraw/zinc/05/27/21/160052721.db2.gz UHNODEGJWSZIMF-BDAKNGLRSA-N -1 0 315.351 0.038 10 0 DCAERM C[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)C1 ZINC000408197262 160057295 /nfs/dbraw/zinc/05/72/95/160057295.db2.gz HOGAQWWFAGPTSK-QWRGUYRKSA-N -1 0 321.381 0.822 10 0 DCAERM CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C(C)C ZINC000408204248 160059394 /nfs/dbraw/zinc/05/93/94/160059394.db2.gz GNKUVFRWWFALPK-GHMZBOCLSA-N -1 0 315.395 0.835 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)c2ccccn2)CO1 ZINC000408276757 160074685 /nfs/dbraw/zinc/07/46/85/160074685.db2.gz LGHYHLQQPOGSCV-UHFFFAOYSA-N -1 0 314.363 0.676 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cnn2c1CCCC2 ZINC000408399263 160100462 /nfs/dbraw/zinc/10/04/62/160100462.db2.gz GHQPDOMSYSYQFQ-JTQLQIEISA-N -1 0 313.379 0.458 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000408450365 160111194 /nfs/dbraw/zinc/11/11/94/160111194.db2.gz IZYLTNOVBIMAPF-GFCCVEGCSA-N -1 0 304.412 0.486 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)s1 ZINC000408475728 160116535 /nfs/dbraw/zinc/11/65/35/160116535.db2.gz GWCJLXNTHVELHG-GFCCVEGCSA-N -1 0 316.404 0.778 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)[C@@H]1CCC(=O)c2ccccc21 ZINC000408477226 160117141 /nfs/dbraw/zinc/11/71/41/160117141.db2.gz NUCNLQZEMUWQJY-GFCCVEGCSA-N -1 0 309.343 0.592 10 0 DCAERM Cn1nccc1S(=O)(=O)[N-]C(=O)C1(C)COC(C)(C)OC1 ZINC000408477062 160117144 /nfs/dbraw/zinc/11/71/44/160117144.db2.gz NIIWMWLEJJLPRZ-UHFFFAOYSA-N -1 0 317.367 0.014 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)[C@H]1CCC(=O)c2ccccc21 ZINC000408477230 160117200 /nfs/dbraw/zinc/11/72/00/160117200.db2.gz NUCNLQZEMUWQJY-LBPRGKRZSA-N -1 0 309.343 0.592 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1 ZINC000408481344 160117617 /nfs/dbraw/zinc/11/76/17/160117617.db2.gz IXJASTQIFJDCAE-JTQLQIEISA-N -1 0 302.352 0.913 10 0 DCAERM CC(C)[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408481993 160117715 /nfs/dbraw/zinc/11/77/15/160117715.db2.gz GOJRJPBGQACKFK-TUAOUCFPSA-N -1 0 305.396 0.673 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)nnn1C(C)C ZINC000408480349 160117884 /nfs/dbraw/zinc/11/78/84/160117884.db2.gz HKRGQADUENUTDF-SNVBAGLBSA-N -1 0 316.383 0.406 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2F)CCC(=O)NC1 ZINC000408483518 160118300 /nfs/dbraw/zinc/11/83/00/160118300.db2.gz XBQNUVRVSUZBJR-ZDUSSCGKSA-N -1 0 314.338 0.547 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000408491526 160118996 /nfs/dbraw/zinc/11/89/96/160118996.db2.gz ATKQAKVIVCRCDH-CYBMUJFWSA-N -1 0 318.439 0.733 10 0 DCAERM CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000408489506 160119089 /nfs/dbraw/zinc/11/90/89/160119089.db2.gz TUGQYADUSOCZPO-NWDGAFQWSA-N -1 0 315.395 0.600 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000408490330 160119194 /nfs/dbraw/zinc/11/91/94/160119194.db2.gz AFWPMFHNFBROEX-IFWUJCSASA-N -1 0 316.423 0.342 10 0 DCAERM CO[C@]1(C(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)CCOC1 ZINC000408492272 160119283 /nfs/dbraw/zinc/11/92/83/160119283.db2.gz JODBZLJAEHMFND-UAKHECDHSA-N -1 0 317.407 0.817 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)sc1C ZINC000408497475 160119744 /nfs/dbraw/zinc/11/97/44/160119744.db2.gz LSJNMXFICIPQND-OPRDCNLKSA-N -1 0 316.404 0.990 10 0 DCAERM CCc1csc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)n1 ZINC000408504128 160120161 /nfs/dbraw/zinc/12/01/61/160120161.db2.gz WOZTYVRZDPYHRL-AEJSXWLSSA-N -1 0 316.404 0.935 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000357079680 287203460 /nfs/dbraw/zinc/20/34/60/287203460.db2.gz ZCQVTMPRXXNWCH-UHFFFAOYSA-N -1 0 314.349 0.988 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCCO1 ZINC000037656664 415195328 /nfs/dbraw/zinc/19/53/28/415195328.db2.gz CTEVURNGFJTVNW-GXSJLCMTSA-N -1 0 306.384 0.185 10 0 DCAERM CC(C)(C)OC(=O)N1CCN(Cc2cnccn2)[C@@H](C(=O)[O-])C1 ZINC000095087055 415547760 /nfs/dbraw/zinc/54/77/60/415547760.db2.gz ITNMQUCWUBRJHG-GFCCVEGCSA-N -1 0 322.365 0.983 10 0 DCAERM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000287275868 415651458 /nfs/dbraw/zinc/65/14/58/415651458.db2.gz KPNVUXHORRUAKE-GHMZBOCLSA-N -1 0 309.366 0.642 10 0 DCAERM O=C(C[C@@H]1Oc2ccccc2NC1=O)NC1(c2nnn[n-]2)CC1 ZINC000357072725 416030023 /nfs/dbraw/zinc/03/00/23/416030023.db2.gz MRLQGBIIIUKYHJ-JTQLQIEISA-N -1 0 314.305 0.095 10 0 DCAERM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000183636022 416248299 /nfs/dbraw/zinc/24/82/99/416248299.db2.gz LVHLLPKVTJNBFU-MRVPVSSYSA-N -1 0 320.317 0.434 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263319208 416337743 /nfs/dbraw/zinc/33/77/43/416337743.db2.gz QVVGKSKGHAXCPX-VHSXEESVSA-N -1 0 316.379 0.000 10 0 DCAERM O=C([O-])C1(NC(=O)NCCCc2nnc3ccccn32)CCC1 ZINC000584031598 416493754 /nfs/dbraw/zinc/49/37/54/416493754.db2.gz ZWHZQKTZCRGCST-UHFFFAOYSA-N -1 0 317.349 0.968 10 0 DCAERM CC(=O)Nc1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000434861624 416499457 /nfs/dbraw/zinc/49/94/57/416499457.db2.gz NUWUVLLOBNIBIF-UHFFFAOYSA-N -1 0 302.290 0.697 10 0 DCAERM Cc1cc(C)cc(OCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000523514771 417086698 /nfs/dbraw/zinc/08/66/98/417086698.db2.gz SSZLMDIYXMFVEI-UHFFFAOYSA-N -1 0 324.362 0.843 10 0 DCAERM O=C([O-])CN(C(=O)NCc1nnc2n1CCCC2)C1CCC1 ZINC000568497774 417141033 /nfs/dbraw/zinc/14/10/33/417141033.db2.gz MXNWCCUJXLSZAA-UHFFFAOYSA-N -1 0 307.354 0.763 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@H]2COc3ccccc32)n[n-]1 ZINC000525752189 417146629 /nfs/dbraw/zinc/14/66/29/417146629.db2.gz HFHIFANMXKEOCR-QMMMGPOBSA-N -1 0 308.319 0.323 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000526929997 417191339 /nfs/dbraw/zinc/19/13/39/417191339.db2.gz HMCBPYWTRMNOAJ-ZETCQYMHSA-N -1 0 304.276 0.189 10 0 DCAERM CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1ccccc1[O-] ZINC000632631621 417203383 /nfs/dbraw/zinc/20/33/83/417203383.db2.gz CTULLJDSTJSMPM-NSHDSACASA-N -1 0 300.380 0.343 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)c1 ZINC000645975340 417839535 /nfs/dbraw/zinc/83/95/35/417839535.db2.gz YIXFHXRTRAZDQR-WCBMZHEXSA-N -1 0 303.336 0.807 10 0 DCAERM CCCc1nc(=N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)s[n-]1 ZINC000360047057 261786019 /nfs/dbraw/zinc/78/60/19/261786019.db2.gz JAWQKDLVKVMJIF-IUCAKERBSA-N -1 0 314.411 0.781 10 0 DCAERM CCC(=O)N[C@@H]1CCCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC000362488768 262040576 /nfs/dbraw/zinc/04/05/76/262040576.db2.gz MLHBQCASMQQPKL-LLVKDONJSA-N -1 0 305.334 0.911 10 0 DCAERM CC(C)(C)CC[C@H](NC(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC000263050948 278321888 /nfs/dbraw/zinc/32/18/88/278321888.db2.gz FLCRBEDOFWXOIK-JTQLQIEISA-N -1 0 320.411 0.418 10 0 DCAERM C[C@H](CN(C)C(=O)[C@H](C)NC(=O)c1ccccc1)c1nnn[n-]1 ZINC000548467045 288146498 /nfs/dbraw/zinc/14/64/98/288146498.db2.gz RULICTKTKMKOMK-MNOVXSKESA-N -1 0 316.365 0.580 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000263565294 281468076 /nfs/dbraw/zinc/46/80/76/281468076.db2.gz VNJISJBYCBNUGY-RTXFEEFZSA-N -1 0 318.377 0.918 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000263225024 281932044 /nfs/dbraw/zinc/93/20/44/281932044.db2.gz RJCMJFGMSRSLMG-OPRDCNLKSA-N -1 0 300.380 0.620 10 0 DCAERM CCCc1nc(=NC(=O)c2ccc3n[nH]c(=O)n3c2)s[n-]1 ZINC000560295130 288488651 /nfs/dbraw/zinc/48/86/51/288488651.db2.gz HRHJZKROUKJTAY-UHFFFAOYSA-N -1 0 304.335 0.913 10 0 DCAERM O=C([O-])[C@@H](NC(=O)NCCCc1nnc2ccccn21)C1CC1 ZINC000562431280 288575415 /nfs/dbraw/zinc/57/54/15/288575415.db2.gz SHAUHRZCQMRJRM-ZDUSSCGKSA-N -1 0 317.349 0.824 10 0 DCAERM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000408503619 289012889 /nfs/dbraw/zinc/01/28/89/289012889.db2.gz WFLKXNMRJVXRDZ-NWDGAFQWSA-N -1 0 316.423 0.737 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000261827685 293923947 /nfs/dbraw/zinc/92/39/47/293923947.db2.gz HTHMQSCMZJLWIM-DGCLKSJQSA-N -1 0 318.329 0.885 10 0 DCAERM CO[C@H](C)c1nc(=N[C@H]2CCCN(S(C)(=O)=O)C2)s[n-]1 ZINC000400228249 294344074 /nfs/dbraw/zinc/34/40/74/294344074.db2.gz LDQSYKMXCZSBPA-BDAKNGLRSA-N -1 0 320.440 0.503 10 0 DCAERM C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)CS2 ZINC000097053003 300866660 /nfs/dbraw/zinc/86/66/60/300866660.db2.gz QTSUKCRLAKMFQT-JIXVBMEVSA-N -1 0 312.391 0.810 10 0 DCAERM Cc1cccc2c(=O)n(CCC(=O)N[C@H](CF)C(=O)[O-])cnc12 ZINC000263031052 302052633 /nfs/dbraw/zinc/05/26/33/302052633.db2.gz UYQJEBAKPNMAJA-LLVKDONJSA-N -1 0 321.308 0.634 10 0 DCAERM NC(=O)[C@@H]1CC[C@H](C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])O1 ZINC000263475231 303304110 /nfs/dbraw/zinc/30/41/10/303304110.db2.gz ZABKQTZKDDBMML-LDMBFOFVSA-N -1 0 310.350 0.264 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)CC[C@H]1C(=O)[O-] ZINC000380155632 332954317 /nfs/dbraw/zinc/95/43/17/332954317.db2.gz YFPQBUAAEIWIQK-HTQZYQBOSA-N -1 0 321.786 0.805 10 0 DCAERM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NC(=O)N1CCS(=O)(=O)CC1 ZINC000399369638 337315843 /nfs/dbraw/zinc/31/58/43/337315843.db2.gz KCUGBVVLUSWBAA-NXEZZACHSA-N -1 0 306.384 0.172 10 0 DCAERM C/C=C/C[C@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC000262891467 518543626 /nfs/dbraw/zinc/54/36/26/518543626.db2.gz ALHZTIIZLNYSDH-ZNRGBCAMSA-N -1 0 315.391 0.737 10 0 DCAERM CC(C)CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)c1nnn[n-]1)C(C)C ZINC000156546116 519597026 /nfs/dbraw/zinc/59/70/26/519597026.db2.gz ONTHTEZMAYPEBC-WCQYABFASA-N -1 0 324.429 0.949 10 0 DCAERM Cc1ccccc1S([O-])=CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000157089798 525451058 /nfs/dbraw/zinc/45/10/58/525451058.db2.gz RQNZPVYWLHHMFD-GTJPDFRWSA-N -1 0 308.403 0.827 10 0 DCAERM Cc1nc(NCc2ccncc2)nc(OCC(=O)[O-])c1CCO ZINC000073709186 526999837 /nfs/dbraw/zinc/99/98/37/526999837.db2.gz BPSNVAJASYZQHF-UHFFFAOYSA-N -1 0 318.333 0.790 10 0 DCAERM O=C([O-])C1(CNC(=O)N2CCC(OCCO)CC2)CCC1 ZINC000129152027 545782769 /nfs/dbraw/zinc/78/27/69/545782769.db2.gz BYXUFAPODJEICM-UHFFFAOYSA-N -1 0 300.355 0.424 10 0 DCAERM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCO[C@@H]1C ZINC000149342985 545811286 /nfs/dbraw/zinc/81/12/86/545811286.db2.gz BIOIFSLXPXWGDN-SCZZXKLOSA-N -1 0 315.347 0.855 10 0 DCAERM Cn1nccc1C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000191583744 545925828 /nfs/dbraw/zinc/92/58/28/545925828.db2.gz JHHDMWKTUHGWPQ-OLZOCXBDSA-N -1 0 307.350 0.758 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)CC[C@@H]1CCOC1 ZINC000263272242 545986559 /nfs/dbraw/zinc/98/65/59/545986559.db2.gz WCITWVVRNWWNPL-GRYCIOLGSA-N -1 0 305.396 0.928 10 0 DCAERM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccnc2)CCC1(F)F ZINC000284956005 546001831 /nfs/dbraw/zinc/00/18/31/546001831.db2.gz DOTDCWRAWYKGGM-VIFPVBQESA-N -1 0 306.290 0.812 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)CC2CCOCC2)CC[C@H]1C(=O)[O-] ZINC000526944261 546284755 /nfs/dbraw/zinc/28/47/55/546284755.db2.gz OCMBHXUUXCJOLZ-ZYHUDNBSSA-N -1 0 305.396 0.785 10 0 DCAERM CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H]1CCCOC1 ZINC000723746253 657491013 /nfs/dbraw/zinc/49/10/13/657491013.db2.gz LPRXFVBDGFRTET-WDEREUQCSA-N -1 0 308.400 0.433 10 0 DCAERM CCc1ccc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)s1 ZINC000049044467 658433274 /nfs/dbraw/zinc/43/32/74/658433274.db2.gz UVMBWSNCTWQEEM-UHFFFAOYSA-N -1 0 318.420 0.701 10 0 DCAERM CN(CC(=O)[O-])C(=O)NCCn1cc(Br)cn1 ZINC000310226494 658496090 /nfs/dbraw/zinc/49/60/90/658496090.db2.gz YHAUESQFXGRJTQ-UHFFFAOYSA-N -1 0 305.132 0.372 10 0 DCAERM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000181900469 665690564 /nfs/dbraw/zinc/69/05/64/665690564.db2.gz RACMBWIZSAVQBR-GHMZBOCLSA-N -1 0 304.412 0.878 10 0 DCAERM Cn1ccc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])cc1=O ZINC000262073546 662017841 /nfs/dbraw/zinc/01/78/41/662017841.db2.gz ASVKGWGOCKWVSX-LLVKDONJSA-N -1 0 310.350 0.774 10 0 DCAERM CC(C)(C)OCC[C@@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000262188274 662153195 /nfs/dbraw/zinc/15/31/95/662153195.db2.gz NEHVLWAXZRYKEC-SNVBAGLBSA-N -1 0 323.411 0.586 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)O1 ZINC000263001739 662613442 /nfs/dbraw/zinc/61/34/42/662613442.db2.gz VCIBARVGUBDWQJ-UTUOFQBUSA-N -1 0 312.366 0.336 10 0 DCAERM C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[C@H](C)C(=O)[O-] ZINC000263436752 662688297 /nfs/dbraw/zinc/68/82/97/662688297.db2.gz LPZLHFRYXNIRIJ-IUCAKERBSA-N -1 0 319.317 0.328 10 0 DCAERM O=C(NC1CCCCC1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000731895720 664889424 /nfs/dbraw/zinc/88/94/24/664889424.db2.gz XJWQVEKWAPWXKB-UHFFFAOYSA-N -1 0 321.381 0.049 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000703760165 667139765 /nfs/dbraw/zinc/13/97/65/667139765.db2.gz AZTNJCQJJOCXSY-VIFPVBQESA-N -1 0 319.301 0.834 10 0 DCAERM Cc1cc(C)n(CC(=O)NC[C@H](C(=O)[O-])C2CCOCC2)n1 ZINC000864145710 667219344 /nfs/dbraw/zinc/21/93/44/667219344.db2.gz PWKJYUOKYJEVCJ-ZDUSSCGKSA-N -1 0 309.366 0.744 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC000711278824 667457196 /nfs/dbraw/zinc/45/71/96/667457196.db2.gz VUQQXKNLKCGTLD-JTQLQIEISA-N -1 0 308.400 0.433 10 0 DCAERM NC(=O)[C@H]1CCC[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000131818658 669686603 /nfs/dbraw/zinc/68/66/03/669686603.db2.gz ACVUDCZOYLINFI-UWVGGRQHSA-N -1 0 314.345 0.697 10 0 DCAERM CO[C@H]1C[C@H](CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000714671531 670192579 /nfs/dbraw/zinc/19/25/79/670192579.db2.gz ZLJDXTRRODYORT-GMTAPVOTSA-N -1 0 306.384 0.042 10 0 DCAERM CO[C@H](C(=O)[O-])C(=O)NCc1ncc(Br)s1 ZINC000714936009 670196825 /nfs/dbraw/zinc/19/68/25/670196825.db2.gz DTRITBSZNSDNAI-LURJTMIESA-N -1 0 309.141 0.621 10 0 DCAERM Cc1ncc(S(=O)(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)s1 ZINC000715249953 670206871 /nfs/dbraw/zinc/20/68/71/670206871.db2.gz PJYPSUCMLIYYPI-IYSWYEEDSA-N -1 0 312.319 0.696 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])C(=O)COCC(F)(F)F ZINC000715775589 670221728 /nfs/dbraw/zinc/22/17/28/670221728.db2.gz BVIAZSACAMTBLL-UHFFFAOYSA-N -1 0 301.217 0.042 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@H]2CCCS2)C1 ZINC000715914549 670225854 /nfs/dbraw/zinc/22/58/54/670225854.db2.gz FEDHMVSOKKGKRA-GHMZBOCLSA-N -1 0 322.452 0.903 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)c1 ZINC000193673911 670327547 /nfs/dbraw/zinc/32/75/47/670327547.db2.gz IBURLHNLWIFBJP-UHFFFAOYSA-N -1 0 319.346 0.849 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)[C@H]1CNC(=O)C1 ZINC000195284343 670479130 /nfs/dbraw/zinc/47/91/30/670479130.db2.gz BBOJWHVCUHPIJT-GFCCVEGCSA-N -1 0 318.354 0.781 10 0 DCAERM Cn1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nn1 ZINC000389938220 685258309 /nfs/dbraw/zinc/25/83/09/685258309.db2.gz NTZIZZYDYGNRKY-UHFFFAOYSA-N -1 0 315.286 0.341 10 0 DCAERM Cc1nc(NCCS(=O)(=O)N2CCCC2)sc1C(=O)[O-] ZINC000721979070 685318802 /nfs/dbraw/zinc/31/88/02/685318802.db2.gz JAEOTFKVELEINE-UHFFFAOYSA-N -1 0 319.408 0.987 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)c1 ZINC000092890192 685109340 /nfs/dbraw/zinc/10/93/40/685109340.db2.gz OOIWIABVZMHOIT-UHFFFAOYSA-N -1 0 317.367 0.157 10 0 DCAERM Cn1cnc(S(=O)(=O)N2CCC(F)(F)[C@H](C(=O)[O-])C2)c1 ZINC000285041902 685202607 /nfs/dbraw/zinc/20/26/07/685202607.db2.gz JDKNSTVCTKISSD-ZETCQYMHSA-N -1 0 309.294 0.151 10 0 DCAERM CS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000085848102 1159005731 /nfs/dbraw/zinc/00/57/31/1159005731.db2.gz KEFNIQAYRYJIST-CYBMUJFWSA-N -1 0 313.331 0.064 10 0 DCAERM CCc1oc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000261719377 1184937340 /nfs/dbraw/zinc/93/73/40/1184937340.db2.gz WOAZFZXTLMZWAH-MRVPVSSYSA-N -1 0 315.347 0.847 10 0 DCAERM Cc1ccc(O[C@@H](C)C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000261931158 1185159611 /nfs/dbraw/zinc/15/96/11/1185159611.db2.gz SUFZSUDDFUDXJA-NSHDSACASA-N -1 0 318.333 0.755 10 0 DCAERM CCCCCS(=O)(=O)CC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000262169362 1185163728 /nfs/dbraw/zinc/16/37/28/1185163728.db2.gz QEUNSAXYEHBRTP-QWRGUYRKSA-N -1 0 321.395 0.292 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000262575918 1185170315 /nfs/dbraw/zinc/17/03/15/1185170315.db2.gz YEYIAJWZCINWPW-ZYHUDNBSSA-N -1 0 318.333 0.591 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000262973262 1185175483 /nfs/dbraw/zinc/17/54/83/1185175483.db2.gz QBSXOYKQNUDDQN-STQMWFEESA-N -1 0 320.345 0.703 10 0 DCAERM COc1ccc(OC)c(CC(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000263290746 1185178288 /nfs/dbraw/zinc/17/82/88/1185178288.db2.gz QXMHGOGCWRBFDJ-OLZOCXBDSA-N -1 0 323.345 0.947 10 0 DCAERM CCN1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)[C@H](C)C1=O ZINC000263476713 1185178508 /nfs/dbraw/zinc/17/85/08/1185178508.db2.gz MTIITPVZWHCWIN-VOMCLLRMSA-N -1 0 311.382 0.892 10 0 DCAERM CCn1nccc1N1CCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C1=O ZINC000263543354 1185179406 /nfs/dbraw/zinc/17/94/06/1185179406.db2.gz FFAOYJKDGKMMRA-NXEZZACHSA-N -1 0 308.338 0.235 10 0 DCAERM CS(=O)(=O)CC1(CCNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000692805880 954710886 /nfs/dbraw/zinc/71/08/86/954710886.db2.gz ADZJEUBFDRJYSH-NXEZZACHSA-N -1 0 303.380 0.428 10 0 DCAERM C[C@H](CCNC(=O)NC[C@H](C(=O)[O-])C1CCC1)[S@@](C)=O ZINC000697989851 954838494 /nfs/dbraw/zinc/83/84/94/954838494.db2.gz FTFJTGXNJDFQAY-CYKBGDKZSA-N -1 0 304.412 0.944 10 0 DCAERM Cc1c(S(=O)(=O)N[C@](C)(CC(=O)[O-])C2CC2)cnn1C ZINC000687071235 976129708 /nfs/dbraw/zinc/12/97/08/976129708.db2.gz AJCCQAPXPUHVHZ-GFCCVEGCSA-N -1 0 301.368 0.650 10 0 DCAERM CO[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000687193106 976135905 /nfs/dbraw/zinc/13/59/05/976135905.db2.gz IVIGLEGIWQYOFR-JGVFFNPUSA-N -1 0 304.324 0.561 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@H](C)C1O ZINC000688053968 976164097 /nfs/dbraw/zinc/16/40/97/976164097.db2.gz TZBDBARFYDDZRW-HTQZYQBOSA-N -1 0 302.352 0.350 10 0 DCAERM C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000688094455 976166998 /nfs/dbraw/zinc/16/69/98/976166998.db2.gz JKWXIUPWMPNTQW-DTWKUNHWSA-N -1 0 303.336 0.902 10 0 DCAERM C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000688097700 976169445 /nfs/dbraw/zinc/16/94/45/976169445.db2.gz YPNFCMNEYVROIW-KCJUWKMLSA-N -1 0 302.352 0.637 10 0 DCAERM CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000689310368 976248195 /nfs/dbraw/zinc/24/81/95/976248195.db2.gz LVUDWKOJTWQLRQ-MRVPVSSYSA-N -1 0 305.356 0.135 10 0 DCAERM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)CC(=O)[O-])C1 ZINC000694793053 976723695 /nfs/dbraw/zinc/72/36/95/976723695.db2.gz CVKOLJHOSFPNEB-CQSZACIVSA-N -1 0 305.378 0.394 10 0 DCAERM CCCN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000262095111 283023162 /nfs/dbraw/zinc/02/31/62/283023162.db2.gz LRZPNNVKPODAEH-AXFHLTTASA-N -1 0 303.380 0.523 10 0 DCAERM CCc1c2nn(CC(=O)[O-])c(=O)n2c(-c2cnccn2)nc1C ZINC000073695148 191342870 /nfs/dbraw/zinc/34/28/70/191342870.db2.gz OCQFUNCDXFCAGJ-UHFFFAOYSA-N -1 0 314.305 0.303 10 0 DCAERM CC(=O)Nc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000085344872 192492139 /nfs/dbraw/zinc/49/21/39/192492139.db2.gz BSYFVVQQZPMOAB-LBPRGKRZSA-N -1 0 312.347 0.883 10 0 DCAERM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000263494007 291379985 /nfs/dbraw/zinc/37/99/85/291379985.db2.gz PZIVGLAVPGYHKN-MXWKQRLJSA-N -1 0 319.379 0.597 10 0 DCAERM O=C([O-])c1cccc(CC(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000263550780 203479316 /nfs/dbraw/zinc/47/93/16/203479316.db2.gz WHJZTOOSUDHXSE-MRXNPFEDSA-N -1 0 305.330 0.945 10 0 DCAERM O=C([O-])c1cn(CC(=O)N[C@H]2CCO[C@H]2c2ccccc2)nn1 ZINC000263562425 203479713 /nfs/dbraw/zinc/47/97/13/203479713.db2.gz CTTAQVMETPGVMC-FZMZJTMJSA-N -1 0 316.317 0.623 10 0 DCAERM Cc1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])cn1 ZINC000019803776 182151461 /nfs/dbraw/zinc/15/14/61/182151461.db2.gz BAWLQWJNTRROMN-SNVBAGLBSA-N -1 0 300.336 0.008 10 0 DCAERM COc1ccc(NC(=O)CS(=O)(=O)CCCC(=O)[O-])cc1 ZINC000020376460 182212848 /nfs/dbraw/zinc/21/28/48/182212848.db2.gz PNGUHXBWSMDYTD-UHFFFAOYSA-N -1 0 315.347 0.913 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccccc2F)C1 ZINC000020551223 182230148 /nfs/dbraw/zinc/23/01/48/182230148.db2.gz CUDXKWFAXUZRFU-WPRPVWTQSA-N -1 0 303.311 0.688 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)c1ccc(Br)o1 ZINC000022173048 182312303 /nfs/dbraw/zinc/31/23/03/182312303.db2.gz XYHOKDVXELOBQL-WDSKDSINSA-N -1 0 304.096 0.702 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)C1 ZINC000036979707 182858022 /nfs/dbraw/zinc/85/80/22/182858022.db2.gz YGVIUKRWCBNYDV-UWVGGRQHSA-N -1 0 300.355 0.239 10 0 DCAERM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CNC(=O)C1 ZINC000110348830 194323477 /nfs/dbraw/zinc/32/34/77/194323477.db2.gz HXLCMRMGDAWNFX-ZETCQYMHSA-N -1 0 306.347 0.079 10 0 DCAERM NS(=O)(=O)CCCNC(=O)Nc1sccc1C(=O)[O-] ZINC000062828765 184255102 /nfs/dbraw/zinc/25/51/02/184255102.db2.gz RROCUHULPIMBJS-UHFFFAOYSA-N -1 0 307.353 0.246 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000036983517 395725231 /nfs/dbraw/zinc/72/52/31/395725231.db2.gz IUJUEWPJSDRRNL-NWDGAFQWSA-N -1 0 317.338 0.829 10 0 DCAERM CC(C)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000037405868 395726798 /nfs/dbraw/zinc/72/67/98/395726798.db2.gz GDVSWJYBOBLYPW-BXKDBHETSA-N -1 0 301.364 0.922 10 0 DCAERM Cc1cccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000040162644 395732998 /nfs/dbraw/zinc/73/29/98/395732998.db2.gz NKXOJRIHICFBPN-GFCCVEGCSA-N -1 0 309.347 0.692 10 0 DCAERM Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000040396343 395733970 /nfs/dbraw/zinc/73/39/70/395733970.db2.gz MLCADJUXKBEUDT-UWVGGRQHSA-N -1 0 319.766 0.857 10 0 DCAERM CC(=O)c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)nc1C ZINC000270855286 395816984 /nfs/dbraw/zinc/81/69/84/395816984.db2.gz RODBYOQZINVDIJ-UHFFFAOYSA-N -1 0 316.317 0.322 10 0 DCAERM CNC(=O)[C@@H]1CC[C@@H](CCC(=O)[O-])CN1C(=O)C(F)(F)F ZINC000114334184 395833872 /nfs/dbraw/zinc/83/38/72/395833872.db2.gz QRNLRNZXTANTMM-YUMQZZPRSA-N -1 0 310.272 0.767 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCCC[C@@]2(C)C(=O)[O-])c1 ZINC000132891778 395927394 /nfs/dbraw/zinc/92/73/94/395927394.db2.gz DMYPFDHMCVYDCK-LBPRGKRZSA-N -1 0 301.368 0.921 10 0 DCAERM CC(C)[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000226931352 395867341 /nfs/dbraw/zinc/86/73/41/395867341.db2.gz LHUMRUORVSFGPV-OUAUKWLOSA-N -1 0 308.400 0.287 10 0 DCAERM CSCCCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000229195656 395873765 /nfs/dbraw/zinc/87/37/65/395873765.db2.gz ZGCLKODXTCSNNR-SNVBAGLBSA-N -1 0 310.441 0.761 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](O)C1 ZINC000134680085 395933783 /nfs/dbraw/zinc/93/37/83/395933783.db2.gz HEQCNROTFWEOEJ-HTQZYQBOSA-N -1 0 320.392 0.512 10 0 DCAERM Cc1nc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)no1 ZINC000134992975 395936438 /nfs/dbraw/zinc/93/64/38/395936438.db2.gz CVYDNKBLAAJIFY-UHFFFAOYSA-N -1 0 316.321 0.190 10 0 DCAERM CN(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000137070731 395950192 /nfs/dbraw/zinc/95/01/92/395950192.db2.gz IFQBMHKYAXOGAQ-UWVGGRQHSA-N -1 0 320.411 0.704 10 0 DCAERM CCN(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@H](C)CC(=O)[O-] ZINC000061213693 395966608 /nfs/dbraw/zinc/96/66/08/395966608.db2.gz NAFBIVDTDCFDER-NXEZZACHSA-N -1 0 306.384 0.410 10 0 DCAERM CCN(CCO)c1nn(-c2ccccc2OC)nc1C(=O)[O-] ZINC000256045860 396033671 /nfs/dbraw/zinc/03/36/71/396033671.db2.gz BIXYCQOSZYYQQB-UHFFFAOYSA-N -1 0 306.322 0.793 10 0 DCAERM C[C@H](CC(N)=O)Nc1nc[n-]c(=O)c1I ZINC000165357482 396088344 /nfs/dbraw/zinc/08/83/44/396088344.db2.gz CYFVIYRLUYXOBP-SCSAIBSYSA-N -1 0 322.106 0.050 10 0 DCAERM C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262072202 396096423 /nfs/dbraw/zinc/09/64/23/396096423.db2.gz CMRSQPBFNGLORW-OQPBUACISA-N -1 0 312.347 0.474 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070556201 396102871 /nfs/dbraw/zinc/10/28/71/396102871.db2.gz KJLWRZMPGQZKAQ-ZJUUUORDSA-N -1 0 307.368 0.502 10 0 DCAERM Cc1cccc(NC(=O)N2CCS(=O)(=O)CC2)c1C(=O)[O-] ZINC000071171935 396110156 /nfs/dbraw/zinc/11/01/56/396110156.db2.gz RJCDAPGTFXYLBU-UHFFFAOYSA-N -1 0 312.347 0.956 10 0 DCAERM COC(=O)CCCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000262274515 396117427 /nfs/dbraw/zinc/11/74/27/396117427.db2.gz KXHBHYVBOKALGS-SNVBAGLBSA-N -1 0 307.368 0.456 10 0 DCAERM C[C@@H](CN(C)C(=O)Cc1nn(C)c(=O)c2ccccc21)C(=O)[O-] ZINC000262400148 396136074 /nfs/dbraw/zinc/13/60/74/396136074.db2.gz AOHDNCSWPZKXEJ-JTQLQIEISA-N -1 0 317.345 0.655 10 0 DCAERM CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000262636783 396166080 /nfs/dbraw/zinc/16/60/80/396166080.db2.gz GIVZFAICWRCDIQ-VIFPVBQESA-N -1 0 319.335 0.906 10 0 DCAERM CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000262636779 396166277 /nfs/dbraw/zinc/16/62/77/396166277.db2.gz GIVZFAICWRCDIQ-SECBINFHSA-N -1 0 319.335 0.906 10 0 DCAERM COC[C@@](C)(NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000263003214 396197186 /nfs/dbraw/zinc/19/71/86/396197186.db2.gz VJHWDSNNRCQFLH-MRXNPFEDSA-N -1 0 322.361 0.639 10 0 DCAERM O=C([O-])C[C@]1(NC(=O)c2cnc3ccccc3n2)CCOC1 ZINC000263087099 396200481 /nfs/dbraw/zinc/20/04/81/396200481.db2.gz VFMMJCSWXWEQTJ-OAHLLOKOSA-N -1 0 301.302 0.993 10 0 DCAERM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000263176864 396204286 /nfs/dbraw/zinc/20/42/86/396204286.db2.gz GSIWPZUXIAUSAO-MXWKQRLJSA-N -1 0 306.318 0.608 10 0 DCAERM COC[C@H](NC(=O)CN1C(=O)CSc2ccccc21)C(=O)[O-] ZINC000263404495 396216290 /nfs/dbraw/zinc/21/62/90/396216290.db2.gz FUIJXBPYSWHKMX-VIFPVBQESA-N -1 0 324.358 0.341 10 0 DCAERM CO[P@](=O)([O-])CO[C@H](C)Cn1cnc2c1ncnc2N ZINC000077313312 396218115 /nfs/dbraw/zinc/21/81/15/396218115.db2.gz QNIIFMBLEIMHIO-SSDOTTSWSA-N -1 0 301.243 0.603 10 0 in-vitro DCAERM Cc1nc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F)c[nH]1 ZINC000560417966 396613974 /nfs/dbraw/zinc/61/39/74/396613974.db2.gz KWGBRVXGECXKSU-LURJTMIESA-N -1 0 315.273 0.650 10 0 DCAERM COC(=O)CC(C)(C)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000611555762 396885904 /nfs/dbraw/zinc/88/59/04/396885904.db2.gz PGLAHTWUXNVBKH-UHFFFAOYSA-N -1 0 318.355 0.126 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCOCC2)N1Cc1ccccc1 ZINC000630648537 397070035 /nfs/dbraw/zinc/07/00/35/397070035.db2.gz FNCPQMLITCBFGM-CABCVRRESA-N -1 0 318.373 0.963 10 0 DCAERM C[C@@H]1C[C@@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000386847356 397291017 /nfs/dbraw/zinc/29/10/17/397291017.db2.gz XJMOIFZLFZXXDL-SFYZADRCSA-N -1 0 303.340 0.201 10 0 DCAERM CN(CC(=O)[O-])C(=O)NCc1nn(C)cc1Br ZINC000393355269 397307087 /nfs/dbraw/zinc/30/70/87/397307087.db2.gz TWNWKGZEMHJYFH-UHFFFAOYSA-N -1 0 305.132 0.409 10 0 DCAERM CCCCN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000402654817 397323434 /nfs/dbraw/zinc/32/34/34/397323434.db2.gz NRLXJNXCWBYDPZ-JTQLQIEISA-N -1 0 304.372 0.112 10 0 DCAERM CC(=O)N1CCCC[C@@H]1C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000578870461 397495672 /nfs/dbraw/zinc/49/56/72/397495672.db2.gz AUSLLAHKOZUQBF-GFCCVEGCSA-N -1 0 321.381 0.617 10 0 DCAERM O=C([O-])c1cnn([C@H]2CCCN(S(=O)(=O)CC3CC3)C2)c1 ZINC000370545115 397499336 /nfs/dbraw/zinc/49/93/36/397499336.db2.gz ZSCYOJKTRYEWRJ-LBPRGKRZSA-N -1 0 313.379 0.958 10 0 DCAERM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CCC1(F)F ZINC000370572954 397502986 /nfs/dbraw/zinc/50/29/86/397502986.db2.gz XHBCXJKMQLMQEM-BDAKNGLRSA-N -1 0 313.322 0.537 10 0 DCAERM C/C=C\C[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000578955519 397505116 /nfs/dbraw/zinc/50/51/16/397505116.db2.gz BXRJMOUSDGWEFK-UMBAGQNISA-N -1 0 318.395 0.530 10 0 DCAERM Cc1cc(S(=O)(=O)N[C@H]2CCCNC2=O)sc1C(=O)[O-] ZINC000050397478 158011550 /nfs/dbraw/zinc/01/15/50/158011550.db2.gz NQZUNDMRELBSPU-ZETCQYMHSA-N -1 0 318.376 0.312 10 0 DCAERM CC(C)C[C@@H](CNC(=O)NCCCS(C)(=O)=O)C(=O)[O-] ZINC000094705757 158123064 /nfs/dbraw/zinc/12/30/64/158123064.db2.gz DQDAKOAQNULMDN-JTQLQIEISA-N -1 0 308.400 0.467 10 0 DCAERM COCC[C@](C)(O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000172117209 158390201 /nfs/dbraw/zinc/39/02/01/158390201.db2.gz QOEHPOIAUGDIOQ-HNNXBMFYSA-N -1 0 305.334 0.440 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCCc2nc(C3CC3)no2)C1 ZINC000262089605 158772198 /nfs/dbraw/zinc/77/21/98/158772198.db2.gz CHCVXDSPXFSARV-GHMZBOCLSA-N -1 0 323.349 0.970 10 0 DCAERM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262207273 158785217 /nfs/dbraw/zinc/78/52/17/158785217.db2.gz STFDWDAOJDJZQJ-DCAQKATOSA-N -1 0 314.407 0.866 10 0 DCAERM CCN1C[C@@H](C(=O)N2CCC[C@@](COC)(C(=O)[O-])C2)CC1=O ZINC000262851329 158844515 /nfs/dbraw/zinc/84/45/15/158844515.db2.gz HUUOORLRIMIUHQ-XHDPSFHLSA-N -1 0 312.366 0.195 10 0 DCAERM CC[C@](CNC(=O)Cn1cnnn1)(C(=O)[O-])c1ccccc1 ZINC000262976709 158851470 /nfs/dbraw/zinc/85/14/70/158851470.db2.gz KNAQPJKTMRHDHS-CQSZACIVSA-N -1 0 303.322 0.222 10 0 DCAERM CN1CC[C@H]([NH2+]Cc2nn(C)c(=O)[n-]2)[C@H]1c1ccc(F)c(F)c1 ZINC000329785062 159119472 /nfs/dbraw/zinc/11/94/72/159119472.db2.gz PTIRJJKQVYKTPB-GXTWGEPZSA-N -1 0 323.347 0.922 10 0 DCAERM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H](C)CC(=O)N2)s1 ZINC000408135646 160045339 /nfs/dbraw/zinc/04/53/39/160045339.db2.gz YYQBYKDWHIRXTQ-XPUUQOCRSA-N -1 0 317.392 0.171 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000408193849 160056750 /nfs/dbraw/zinc/05/67/50/160056750.db2.gz FMZGTNREWSKNDD-AWEZNQCLSA-N -1 0 324.402 0.311 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000408191704 160056778 /nfs/dbraw/zinc/05/67/78/160056778.db2.gz JOQXKTUUWGNAFP-JTQLQIEISA-N -1 0 318.782 0.476 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000408192393 160056893 /nfs/dbraw/zinc/05/68/93/160056893.db2.gz NEPGPYQNQQTRBR-NSHDSACASA-N -1 0 320.317 0.100 10 0 DCAERM C[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)C1 ZINC000408197260 160057262 /nfs/dbraw/zinc/05/72/62/160057262.db2.gz HOGAQWWFAGPTSK-GHMZBOCLSA-N -1 0 321.381 0.822 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)c2cnccn2)CO1 ZINC000408277092 160074119 /nfs/dbraw/zinc/07/41/19/160074119.db2.gz NMKDSAIOOZIJHX-UHFFFAOYSA-N -1 0 315.351 0.071 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c1 ZINC000408395874 160099756 /nfs/dbraw/zinc/09/97/56/160099756.db2.gz RMNDVLAOVSMNLU-WCQGTBRESA-N -1 0 313.379 0.694 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408395208 160099908 /nfs/dbraw/zinc/09/99/08/160099908.db2.gz PWYPFSOJCVRZCW-IRCOFANPSA-N -1 0 303.380 0.427 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408395211 160099964 /nfs/dbraw/zinc/09/99/64/160099964.db2.gz PWYPFSOJCVRZCW-YFKTTZPYSA-N -1 0 303.380 0.427 10 0 DCAERM CC[C@H](OC1CCCCC1)C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408476156 160116257 /nfs/dbraw/zinc/11/62/57/160116257.db2.gz JUSYIVSUPBMFPQ-LBPRGKRZSA-N -1 0 305.396 0.959 10 0 DCAERM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000408475508 160116511 /nfs/dbraw/zinc/11/65/11/160116511.db2.gz FKBDPHGWKGJHEE-UHFFFAOYSA-N -1 0 309.351 0.072 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000408482305 160117679 /nfs/dbraw/zinc/11/76/79/160117679.db2.gz ZROJVZKFALEDDL-NWDGAFQWSA-N -1 0 312.347 0.004 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cnn2c1CCC2 ZINC000408484599 160118452 /nfs/dbraw/zinc/11/84/52/160118452.db2.gz MQROJXCSUGFFAO-UHFFFAOYSA-N -1 0 310.335 0.553 10 0 DCAERM C[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000408491873 160119278 /nfs/dbraw/zinc/11/92/78/160119278.db2.gz IQEDLMZTRPTPBE-XCBNKYQSSA-N -1 0 304.755 0.965 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H]1C[C@H]1C(F)(F)F ZINC000408498456 160119817 /nfs/dbraw/zinc/11/98/17/160119817.db2.gz TYFIYWBTACXZPO-XLPZGREQSA-N -1 0 301.286 0.810 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)C1(C(F)(F)F)CCCC1 ZINC000408505621 160120429 /nfs/dbraw/zinc/12/04/29/160120429.db2.gz XOALXFGEYUVMPS-UHFFFAOYSA-N -1 0 301.286 0.954 10 0 DCAERM CCC[C@@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000132865252 287007502 /nfs/dbraw/zinc/00/75/02/287007502.db2.gz JTRUMEAXCJTGQA-GFCCVEGCSA-N -1 0 314.345 0.664 10 0 DCAERM Cc1ccc(S(=O)(=O)NC[C@@H](C)CC(=O)[O-])cc1C(N)=O ZINC000147272425 287030105 /nfs/dbraw/zinc/03/01/05/287030105.db2.gz WALVHAVAAJHHLC-QMMMGPOBSA-N -1 0 314.363 0.483 10 0 DCAERM CC(C)(C)n1cc(C(=O)C(=O)NC2(c3nnn[n-]3)CC2)cn1 ZINC000357054638 287203188 /nfs/dbraw/zinc/20/31/88/287203188.db2.gz UPZWDJVSLUNCQM-UHFFFAOYSA-N -1 0 303.326 0.139 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000110300398 415686887 /nfs/dbraw/zinc/68/68/87/415686887.db2.gz HXUIGYMVWQVZRZ-GHMZBOCLSA-N -1 0 320.411 0.527 10 0 DCAERM C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000312318123 416106211 /nfs/dbraw/zinc/10/62/11/416106211.db2.gz BIVWMFWVVLQMSI-WRWORJQWSA-N -1 0 303.311 0.980 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000190362410 416277603 /nfs/dbraw/zinc/27/76/03/416277603.db2.gz MHNWCUQFMVZSKD-LLVKDONJSA-N -1 0 315.370 0.900 10 0 DCAERM Cc1oc(C(=O)N[C@H](C)CCC(=O)[O-])cc1S(N)(=O)=O ZINC000262104156 416336180 /nfs/dbraw/zinc/33/61/80/416336180.db2.gz FWVBVSCTROXVPU-ZCFIWIBFSA-N -1 0 304.324 0.219 10 0 DCAERM O=C([O-])c1cn(CC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)nn1 ZINC000263562424 416338456 /nfs/dbraw/zinc/33/84/56/416338456.db2.gz CTTAQVMETPGVMC-BXUZGUMPSA-N -1 0 316.317 0.623 10 0 DCAERM O=C(Nc1nn[nH]n1)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000361188776 416424549 /nfs/dbraw/zinc/42/45/49/416424549.db2.gz FEZRTQRTIDISPL-LLVKDONJSA-N -1 0 310.321 0.750 10 0 DCAERM COc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)[O-])cc1OC ZINC000384566828 417088786 /nfs/dbraw/zinc/08/87/86/417088786.db2.gz KPFHHCNUEFCWBN-SECBINFHSA-N -1 0 301.320 0.551 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nnn[n-]2)CC1 ZINC000616665041 417090202 /nfs/dbraw/zinc/09/02/02/417090202.db2.gz IQECYTJHVYXQAM-LLVKDONJSA-N -1 0 309.351 0.352 10 0 DCAERM CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1nnn[n-]1 ZINC000616657097 417090273 /nfs/dbraw/zinc/09/02/73/417090273.db2.gz LBYXRJPPLPRPEG-SNVBAGLBSA-N -1 0 312.374 0.488 10 0 DCAERM CC[C@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408475940 417164186 /nfs/dbraw/zinc/16/41/86/417164186.db2.gz IMFAOZCJVJKZQP-DTWKUNHWSA-N -1 0 317.367 0.575 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1C(C)C ZINC000408475554 417164294 /nfs/dbraw/zinc/16/42/94/417164294.db2.gz FRKFHSFIPPAUFB-BDAKNGLRSA-N -1 0 317.367 0.431 10 0 DCAERM C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000656587364 418365543 /nfs/dbraw/zinc/36/55/43/418365543.db2.gz AZCQKDRVFQLWRD-VIFPVBQESA-N -1 0 306.384 0.316 10 0 DCAERM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000227866592 545944885 /nfs/dbraw/zinc/94/48/85/545944885.db2.gz BKQTZEIZWJWJEK-ZETCQYMHSA-N -1 0 309.775 0.947 10 0 DCAERM CN(C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1 ZINC000228813584 261153636 /nfs/dbraw/zinc/15/36/36/261153636.db2.gz MHXKJQZNDORSFV-CYBMUJFWSA-N -1 0 301.343 0.722 10 0 DCAERM COc1ccc(OC)c(CC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357057570 271040191 /nfs/dbraw/zinc/04/01/91/271040191.db2.gz ZCDWKQHGJVCMFI-UHFFFAOYSA-N -1 0 303.322 0.565 10 0 DCAERM COC(=O)c1c(C)[nH]c(C(=O)NC2(c3nnn[n-]3)CC2)c1C ZINC000357099885 271041332 /nfs/dbraw/zinc/04/13/32/271041332.db2.gz WAHNJGJKLPKTKL-UHFFFAOYSA-N -1 0 304.310 0.350 10 0 DCAERM CNS(=O)(=O)c1cccc(NC(=O)c2ncccc2[O-])c1 ZINC000495049458 272236910 /nfs/dbraw/zinc/23/69/10/272236910.db2.gz SIEZMIPJPUKAJR-UHFFFAOYSA-N -1 0 307.331 0.948 10 0 DCAERM CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000547914468 288091883 /nfs/dbraw/zinc/09/18/83/288091883.db2.gz GAKBVNWDXYGQEE-VHSXEESVSA-N -1 0 307.368 0.455 10 0 DCAERM CCCSC[C@H](NS(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000547921613 288092606 /nfs/dbraw/zinc/09/26/06/288092606.db2.gz FYKYQQPDPZGQPV-QMMMGPOBSA-N -1 0 307.397 0.593 10 0 DCAERM COCCCS(=O)(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1 ZINC000548770231 288174946 /nfs/dbraw/zinc/17/49/46/288174946.db2.gz VANZKHDIYDSFSX-UHFFFAOYSA-N -1 0 323.411 0.290 10 0 DCAERM COCc1ncsc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000550321764 288215350 /nfs/dbraw/zinc/21/53/50/288215350.db2.gz UTBWIEAPGFDUIP-MRVPVSSYSA-N -1 0 308.367 0.822 10 0 DCAERM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccsc1 ZINC000551995869 288256357 /nfs/dbraw/zinc/25/63/57/288256357.db2.gz WRFSPEIYPRVDDW-SECBINFHSA-N -1 0 301.349 0.445 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000555858850 288363948 /nfs/dbraw/zinc/36/39/48/288363948.db2.gz KDBICQAZFCKTIK-NSHDSACASA-N -1 0 324.402 0.927 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCO2)nc1C ZINC000408270685 288702995 /nfs/dbraw/zinc/70/29/95/288702995.db2.gz XTLZYEKEXMBQKD-GFCCVEGCSA-N -1 0 301.368 0.585 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C[C@@H](C)O1 ZINC000263221794 297049135 /nfs/dbraw/zinc/04/91/35/297049135.db2.gz PFEGZTUTZAFVNM-WYUUTHIRSA-N -1 0 320.411 0.526 10 0 DCAERM C[C@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)C1CCOCC1 ZINC000263256597 298108084 /nfs/dbraw/zinc/10/80/84/298108084.db2.gz IPJQLPXKLOCZQZ-DETPVDSQSA-N -1 0 311.378 0.999 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000576518297 341850308 /nfs/dbraw/zinc/85/03/08/341850308.db2.gz YCZYXPSPDAHAFC-ZJUUUORDSA-N -1 0 307.368 0.312 10 0 DCAERM C[C@@H]1CC[C@@H](CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)O1 ZINC000439151733 518179609 /nfs/dbraw/zinc/17/96/09/518179609.db2.gz KUOJNBJCKULLJJ-SFYZADRCSA-N -1 0 302.356 0.494 10 0 DCAERM C[C@@H](NS(=O)(=O)N1CCCC1)c1nc(C(=O)[O-])cs1 ZINC000090941469 545716271 /nfs/dbraw/zinc/71/62/71/545716271.db2.gz WDUPOXKEMPZRRX-SSDOTTSWSA-N -1 0 305.381 0.833 10 0 DCAERM CNC(=O)[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCO1 ZINC000183988591 545909760 /nfs/dbraw/zinc/90/97/60/545909760.db2.gz ABVFRURZHJWEGC-SNVBAGLBSA-N -1 0 300.261 0.257 10 0 DCAERM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000249260576 545970602 /nfs/dbraw/zinc/97/06/02/545970602.db2.gz HUYWDUKKZBUDHC-HJIKLVIJSA-N -1 0 309.366 0.716 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)[C@@H](C(=O)[O-])[C@@H]2C1 ZINC000685945992 548749517 /nfs/dbraw/zinc/74/95/17/548749517.db2.gz IGDFYFFMAMUACJ-IWSPIJDZSA-N -1 0 305.352 0.351 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC000706456180 667413221 /nfs/dbraw/zinc/41/32/21/667413221.db2.gz FCRIUPMDPTZKKX-UHFFFAOYSA-N -1 0 305.739 0.468 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1OCCc2ccccc21 ZINC000160554645 658214835 /nfs/dbraw/zinc/21/48/35/658214835.db2.gz ZYOWLWFVBPATMQ-CYBMUJFWSA-N -1 0 310.375 0.757 10 0 DCAERM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000181900488 659085801 /nfs/dbraw/zinc/08/58/01/659085801.db2.gz RACMBWIZSAVQBR-WDEREUQCSA-N -1 0 304.412 0.878 10 0 DCAERM Cn1nc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])ccc1=O ZINC000262112204 662077782 /nfs/dbraw/zinc/07/77/82/662077782.db2.gz FMCHBMGUACJYKL-JTQLQIEISA-N -1 0 311.338 0.169 10 0 DCAERM CCOCCOc1ccccc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262469865 662402466 /nfs/dbraw/zinc/40/24/66/662402466.db2.gz GRHPXWGLWIZIOU-OAHLLOKOSA-N -1 0 311.334 0.667 10 0 DCAERM C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000149321949 663674860 /nfs/dbraw/zinc/67/48/60/663674860.db2.gz COKYABCPHDPTBD-WRWORJQWSA-N -1 0 303.311 0.980 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000062873721 664624701 /nfs/dbraw/zinc/62/47/01/664624701.db2.gz QUCKEHKEJXEELH-ZDUSSCGKSA-N -1 0 315.395 0.994 10 0 DCAERM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc2nnn(C)c2c1 ZINC000183670015 666090453 /nfs/dbraw/zinc/09/04/53/666090453.db2.gz ZTOMVIPMHXPHFY-UHFFFAOYSA-N -1 0 311.367 0.285 10 0 DCAERM COCCS(=O)(=O)[N-]C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733698950 666803734 /nfs/dbraw/zinc/80/37/34/666803734.db2.gz CXFPVKOBOIOJDG-UHFFFAOYSA-N -1 0 321.786 0.507 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N(C)C[C@@H]1CCn2ccnc2C1 ZINC000888329647 667296282 /nfs/dbraw/zinc/29/62/82/667296282.db2.gz GZPWSKABPYZSPU-SNVBAGLBSA-N -1 0 304.358 0.038 10 0 DCAERM O=C([O-])C1(O)CN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000706457936 667413356 /nfs/dbraw/zinc/41/33/56/667413356.db2.gz DNNINZXMZXZPQN-UHFFFAOYSA-N -1 0 309.702 0.299 10 0 DCAERM CCc1ncnc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1F ZINC000886095483 667731524 /nfs/dbraw/zinc/73/15/24/667731524.db2.gz XTEDOCYJKKMNGD-OAHLLOKOSA-N -1 0 324.356 0.544 10 0 DCAERM Cc1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c(C)o1 ZINC000886097261 667732225 /nfs/dbraw/zinc/73/22/25/667732225.db2.gz XPNVPVQLMGCHSJ-MRXNPFEDSA-N -1 0 322.361 0.898 10 0 DCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCSC(F)(F)F ZINC000223799100 667902499 /nfs/dbraw/zinc/90/24/99/667902499.db2.gz WEHAOKPDWKZTOD-UHFFFAOYSA-N -1 0 319.286 0.639 10 0 DCAERM CC(C)N(C)S(=O)(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000049042252 669944892 /nfs/dbraw/zinc/94/48/92/669944892.db2.gz RUIWKOPCFCGCCS-GFCCVEGCSA-N -1 0 314.363 0.924 10 0 DCAERM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000713274818 670155135 /nfs/dbraw/zinc/15/51/35/670155135.db2.gz HWNSGTXUQMPVSD-YUTCNCBUSA-N -1 0 306.362 0.723 10 0 DCAERM COCC1CC([N-]S(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000713935008 670171764 /nfs/dbraw/zinc/17/17/64/670171764.db2.gz JHWYKRYZJGACQL-UHFFFAOYSA-N -1 0 320.392 0.633 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCOC[C@@H]2C)c1 ZINC000192791442 670187665 /nfs/dbraw/zinc/18/76/65/670187665.db2.gz RETMNNPWYQJVLC-QWRGUYRKSA-N -1 0 315.395 0.942 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@H]2CCCS2)C1 ZINC000715915031 670225662 /nfs/dbraw/zinc/22/56/62/670225662.db2.gz FEDHMVSOKKGKRA-WDEREUQCSA-N -1 0 322.452 0.903 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CNC(=O)C1 ZINC000195284578 670479233 /nfs/dbraw/zinc/47/92/33/670479233.db2.gz TYNLQFXORNWAEE-RXMQYKEDSA-N -1 0 308.768 0.343 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)C1 ZINC000111800852 670513408 /nfs/dbraw/zinc/51/34/08/670513408.db2.gz MPDYTEHJZMCFHK-LLVKDONJSA-N -1 0 320.411 0.529 10 0 DCAERM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000105754386 672217230 /nfs/dbraw/zinc/21/72/30/672217230.db2.gz YUWVUQBFAHQYAO-UHFFFAOYSA-N -1 0 302.327 0.547 10 0 DCAERM CO[C@]1(CNC(=O)N2CCOC[C@H]2C(=O)[O-])CCSC1 ZINC000719217054 685308872 /nfs/dbraw/zinc/30/88/72/685308872.db2.gz FNPBHSSXSLJZIC-CABZTGNLSA-N -1 0 304.368 0.004 10 0 DCAERM C[C@H](CC(=O)[O-])NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262949417 685190065 /nfs/dbraw/zinc/19/00/65/685190065.db2.gz ILLJIUGTYNPDTK-MRVPVSSYSA-N -1 0 305.290 0.082 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3nnc(C)n3c2)C1 ZINC000262102975 1157695129 /nfs/dbraw/zinc/69/51/29/1157695129.db2.gz FSFUWYLROKWBBL-MNOVXSKESA-N -1 0 304.306 0.352 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCc2c(C)nn(C)c2C)C1 ZINC000237111162 1180808872 /nfs/dbraw/zinc/80/88/72/1180808872.db2.gz KDNRBEREIGBATR-YPMHNXCESA-N -1 0 309.366 0.670 10 0 DCAERM CCc1oc(C(=O)N2CC(OCC(=O)N(C)C)C2)cc1C(=O)[O-] ZINC000261602224 1184458373 /nfs/dbraw/zinc/45/83/73/1184458373.db2.gz CCJGDVJRFWYSGB-UHFFFAOYSA-N -1 0 324.333 0.469 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC000262093190 1185162784 /nfs/dbraw/zinc/16/27/84/1185162784.db2.gz CZOPOQWFLVJTLB-CHWSQXEVSA-N -1 0 320.345 0.046 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000262220478 1185163580 /nfs/dbraw/zinc/16/35/80/1185163580.db2.gz ZRMYDYBLXPVRPZ-MWLCHTKSSA-N -1 0 319.379 0.044 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000262212504 1185163709 /nfs/dbraw/zinc/16/37/09/1185163709.db2.gz XLGMQZLFFLIBKT-NSHDSACASA-N -1 0 320.411 0.371 10 0 DCAERM Cn1cc([C@@H]2CN(C(=O)c3ccnc(C(=O)[O-])c3)CCO2)cn1 ZINC000262768156 1185172930 /nfs/dbraw/zinc/17/29/30/1185172930.db2.gz KZQQTFWXPVVJOG-ZDUSSCGKSA-N -1 0 316.317 0.727 10 0 DCAERM COc1ccc(OC)c(CC(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000263290744 1185178611 /nfs/dbraw/zinc/17/86/11/1185178611.db2.gz QXMHGOGCWRBFDJ-CHWSQXEVSA-N -1 0 323.345 0.947 10 0 DCAERM CCCC[C@H](NS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000263457612 1185178621 /nfs/dbraw/zinc/17/86/21/1185178621.db2.gz CPAKMFGZFYKRCI-DCAQKATOSA-N -1 0 321.395 0.891 10 0 DCAERM Cc1nc(N[C@@H]2CCCN(S(C)(=O)=O)C2)sc1C(=O)[O-] ZINC000400209262 774023106 /nfs/dbraw/zinc/02/31/06/774023106.db2.gz DYPPIZIMVJKHPT-MRVPVSSYSA-N -1 0 319.408 0.986 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3)CCOC1 ZINC000403662058 774111508 /nfs/dbraw/zinc/11/15/08/774111508.db2.gz SELFIFNAQHWATM-NKDKAASFSA-N -1 0 300.380 0.956 10 0 DCAERM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1cscn1 ZINC000689254324 968893211 /nfs/dbraw/zinc/89/32/11/968893211.db2.gz IZVFEFZNKNFXAG-APPZFPTMSA-N -1 0 305.381 0.588 10 0 DCAERM C[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000688065963 976165683 /nfs/dbraw/zinc/16/56/83/976165683.db2.gz INMKJPKBUSPOEU-GFCCVEGCSA-N -1 0 303.336 0.761 10 0 DCAERM CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000689313522 976249326 /nfs/dbraw/zinc/24/93/26/976249326.db2.gz WNOBZSMSIJNGCM-ZETCQYMHSA-N -1 0 322.408 0.869 10 0 DCAERM C[C@H](CCNC(=O)NC[C@@H](CC(=O)[O-])C1CC1)[S@@](C)=O ZINC000690446923 976296825 /nfs/dbraw/zinc/29/68/25/976296825.db2.gz KVHWEONXSVDIPY-GYKIULCDSA-N -1 0 304.412 0.944 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@H](CCF)C2)on1 ZINC000692044553 976399250 /nfs/dbraw/zinc/39/92/50/976399250.db2.gz NBAQGYQOBZUYOT-SSDOTTSWSA-N -1 0 308.287 0.122 10 0 DCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC1SCCS1 ZINC000693376827 976609281 /nfs/dbraw/zinc/60/92/81/976609281.db2.gz YLUMTPRZEOEUBD-UHFFFAOYSA-N -1 0 309.394 0.192 10 0 DCAERM Cn1ncc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1Cl ZINC000694099913 976666588 /nfs/dbraw/zinc/66/65/88/976666588.db2.gz NLNCKVPCLOWTGM-SSDOTTSWSA-N -1 0 302.718 0.781 10 0 DCAERM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1ncn(C)n1 ZINC000694172086 976674586 /nfs/dbraw/zinc/67/45/86/976674586.db2.gz GZAWJCUGERMVKS-ZCFIWIBFSA-N -1 0 300.296 0.146 10 0 DCAERM CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211366 976682297 /nfs/dbraw/zinc/68/22/97/976682297.db2.gz ZSANRMOTSUQAOB-ZETCQYMHSA-N -1 0 304.324 0.169 10 0 DCAERM O=C([O-])c1coc(C(=O)NC[C@H]2CCCCS2(=O)=O)c1 ZINC000694526683 976696185 /nfs/dbraw/zinc/69/61/85/976696185.db2.gz ZEJNXESMMNJCDK-SECBINFHSA-N -1 0 301.320 0.675 10 0 DCAERM O=C([O-])C1=CC[C@@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000695017812 976767891 /nfs/dbraw/zinc/76/78/91/976767891.db2.gz DNSBTQCHGVQIKM-NXEZZACHSA-N -1 0 319.404 0.196 10 0 DCAERM C[C@@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])co1)C(F)(F)F ZINC000698618883 976896778 /nfs/dbraw/zinc/89/67/78/976896778.db2.gz LBPOCGZTKQOZDZ-MRVPVSSYSA-N -1 0 317.241 0.569 10 0 DCAERM Cc1nc(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)c[nH]1 ZINC000092436306 185318058 /nfs/dbraw/zinc/31/80/58/185318058.db2.gz UKUUYYFMVITDIN-UHFFFAOYSA-N -1 0 301.246 0.356 10 0 DCAERM CCC[C@](C)(NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236805477 202018612 /nfs/dbraw/zinc/01/86/12/202018612.db2.gz FAWKGUJAGKZMFI-HNNXBMFYSA-N -1 0 320.349 0.646 10 0 DCAERM O=C([O-])C[N@H+](CC1CC1)C1CC(Nc2cnc(C(=O)[O-])cn2)C1 ZINC000263554383 304066243 /nfs/dbraw/zinc/06/62/43/304066243.db2.gz NGSOLCHNVOUNSW-UHFFFAOYSA-N -1 0 320.349 0.914 10 0 DCAERM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1noc2c1CCCC2 ZINC000219240931 304070449 /nfs/dbraw/zinc/07/04/49/304070449.db2.gz PTWFLRWMWDYROX-ZYHUDNBSSA-N -1 0 324.333 0.542 10 0 DCAERM CCCS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000263024361 283415728 /nfs/dbraw/zinc/41/57/28/283415728.db2.gz QLWNHDPNGSAZMS-NHCYSSNCSA-N -1 0 303.380 0.523 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCCN1c1nccs1 ZINC000240333211 202456513 /nfs/dbraw/zinc/45/65/13/202456513.db2.gz FCHYKWOKDDEBME-QMMMGPOBSA-N -1 0 309.351 0.147 10 0 DCAERM COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSCC(=O)[O-] ZINC000157612684 291229119 /nfs/dbraw/zinc/22/91/19/291229119.db2.gz UKMYRHYIHAECFU-LLVKDONJSA-N -1 0 311.359 0.705 10 0 DCAERM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCOC1 ZINC000158369000 291231555 /nfs/dbraw/zinc/23/15/55/291231555.db2.gz IGCSGVPZQCCQKG-VIFPVBQESA-N -1 0 315.347 0.808 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000164841618 291247404 /nfs/dbraw/zinc/24/74/04/291247404.db2.gz XANLFOISIIAXRY-GWCFXTLKSA-N -1 0 315.395 0.959 10 0 DCAERM Cc1c(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cnn1C ZINC000312642392 291252099 /nfs/dbraw/zinc/25/20/99/291252099.db2.gz DIADSNISZPHGTM-PWSUYJOCSA-N -1 0 301.368 0.650 10 0 DCAERM O=C([O-])[C@H](CNS(=O)(=O)CC1CCC1)C1CCOCC1 ZINC000566557004 291312012 /nfs/dbraw/zinc/31/20/12/291312012.db2.gz MSBFBPYRMHLVQT-GFCCVEGCSA-N -1 0 305.396 0.833 10 0 DCAERM Cc1cc(=O)n(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nc1C ZINC000091563085 193073218 /nfs/dbraw/zinc/07/32/18/193073218.db2.gz OEXXTHLSCDSWLO-QWHCGFSZSA-N -1 0 319.361 0.429 10 0 DCAERM O=C([O-])CCC(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC000096081388 193528655 /nfs/dbraw/zinc/52/86/55/193528655.db2.gz ALSSCQXKTWXOSP-WDEREUQCSA-N -1 0 306.318 0.817 10 0 DCAERM CS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)[O-])cc1 ZINC000019987322 182174263 /nfs/dbraw/zinc/17/42/63/182174263.db2.gz JBBIGVOJGPNABC-SNVBAGLBSA-N -1 0 315.372 0.690 10 0 DCAERM Cc1cc(C)cc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])c1 ZINC000020015659 182178321 /nfs/dbraw/zinc/17/83/21/182178321.db2.gz YJWJWYDJDIDUJD-GFCCVEGCSA-N -1 0 313.375 0.921 10 0 DCAERM CCc1nnc(SCC(=O)[O-])n1[C@@H]1CCS(=O)(=O)C1 ZINC000020591764 182236033 /nfs/dbraw/zinc/23/60/33/182236033.db2.gz WBGWXHFAKWIIOV-SSDOTTSWSA-N -1 0 305.381 0.377 10 0 DCAERM O=C([O-])c1ccc(F)cc1NS(=O)(=O)N1CCOCC1 ZINC000021794173 182289931 /nfs/dbraw/zinc/28/99/31/182289931.db2.gz QJUXCZGBLMZIIM-UHFFFAOYSA-N -1 0 304.299 0.513 10 0 DCAERM CCCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000022160658 182312005 /nfs/dbraw/zinc/31/20/05/182312005.db2.gz QKLLBGMOHQGSFY-UHFFFAOYSA-N -1 0 301.368 0.429 10 0 DCAERM Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000037462727 182896566 /nfs/dbraw/zinc/89/65/66/182896566.db2.gz BBMDWSNIRLRKNV-MRVPVSSYSA-N -1 0 320.754 0.255 10 0 DCAERM CCN(C(C)(C)C(=O)[O-])S(=O)(=O)c1sc(=O)[nH]c1C ZINC000061170956 184163942 /nfs/dbraw/zinc/16/39/42/184163942.db2.gz QMAMGGASTDRFHW-UHFFFAOYSA-N -1 0 308.381 0.619 10 0 DCAERM CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C(F)(F)C2)cn1 ZINC000289759981 131413826 /nfs/dbraw/zinc/41/38/26/131413826.db2.gz PHRZGGAJYBCUDG-SECBINFHSA-N -1 0 323.321 0.634 10 0 DCAERM Nc1nnc(S(=O)(=O)CCOc2ccccc2Cl)[n-]1 ZINC000008015985 395683905 /nfs/dbraw/zinc/68/39/05/395683905.db2.gz QDTMYOUNIOSLBD-UHFFFAOYSA-N -1 0 302.743 0.893 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)CCc2ccccc2)C1 ZINC000037463401 395727512 /nfs/dbraw/zinc/72/75/12/395727512.db2.gz GCVCAYVAWGOCAD-QWHCGFSZSA-N -1 0 313.375 0.733 10 0 DCAERM COC(=O)CCS(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000049063165 395827751 /nfs/dbraw/zinc/82/77/51/395827751.db2.gz TXLXBYCFROWFKC-UHFFFAOYSA-N -1 0 305.283 0.829 10 0 DCAERM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000227866453 395869971 /nfs/dbraw/zinc/86/99/71/395869971.db2.gz IKPJUDUVPYNFBK-SSDOTTSWSA-N -1 0 309.775 0.947 10 0 DCAERM C[C@@H](O)CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000136108864 395944416 /nfs/dbraw/zinc/94/44/16/395944416.db2.gz HDZBKKBGDFTQLT-SNVBAGLBSA-N -1 0 321.402 0.962 10 0 DCAERM O=C([O-])c1c(F)ccc(F)c1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000138257659 395951380 /nfs/dbraw/zinc/95/13/80/395951380.db2.gz CJOSMJMOBROHFH-SSDOTTSWSA-N -1 0 312.228 0.198 10 0 DCAERM Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000140369582 395956209 /nfs/dbraw/zinc/95/62/09/395956209.db2.gz OBAFWLYRYIEGGN-NSHDSACASA-N -1 0 310.331 0.430 10 0 DCAERM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000252432831 396019180 /nfs/dbraw/zinc/01/91/80/396019180.db2.gz BEOIXBNCAYQVCX-HBNTYKKESA-N -1 0 308.400 0.526 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCOC[C@@H]1C ZINC000277959115 396096959 /nfs/dbraw/zinc/09/69/59/396096959.db2.gz RZUIVIWPPUVIIB-JGVFFNPUSA-N -1 0 320.392 0.633 10 0 DCAERM CNC(=O)c1cccc(CCC(=O)N[C@@H](CCOC)C(=O)[O-])c1 ZINC000262256075 396115974 /nfs/dbraw/zinc/11/59/74/396115974.db2.gz CTGIYELRBUBOKA-ZDUSSCGKSA-N -1 0 322.361 0.585 10 0 DCAERM Cc1oc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000262718284 396175678 /nfs/dbraw/zinc/17/56/78/396175678.db2.gz OGKRYJHKJAYAPJ-SFYZADRCSA-N -1 0 316.335 0.219 10 0 DCAERM CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000263023580 396198477 /nfs/dbraw/zinc/19/84/77/396198477.db2.gz FOROYXGMZPYTLB-VWYCJHECSA-N -1 0 315.370 0.018 10 0 DCAERM O=S(=O)([N-]CCCn1ccnn1)c1c(F)cccc1F ZINC000183159564 396264195 /nfs/dbraw/zinc/26/41/95/396264195.db2.gz JQMOWBRJGNISIB-UHFFFAOYSA-N -1 0 302.306 0.925 10 0 DCAERM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CC(=O)N(C2CC2)C1 ZINC000184629940 396300533 /nfs/dbraw/zinc/30/05/33/396300533.db2.gz JABABWBBHYLWMS-RQJHMYQMSA-N -1 0 300.302 0.620 10 0 DCAERM C[C@]1(C(N)=O)CCCCN1CC(=O)[N-]OCc1ccccc1 ZINC000185974280 396338477 /nfs/dbraw/zinc/33/84/77/396338477.db2.gz TVVOHGXQPLTMKT-MRXNPFEDSA-N -1 0 305.378 0.964 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCC23CC3)C1 ZINC000634653758 396893242 /nfs/dbraw/zinc/89/32/42/396893242.db2.gz INYDVEOVSHNQHU-WDEREUQCSA-N -1 0 302.396 0.950 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CC(C)(C)[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000630425896 397017411 /nfs/dbraw/zinc/01/74/11/397017411.db2.gz TYHJBFZMYBHMHL-BBBLOLIVSA-N -1 0 306.384 0.135 10 0 DCAERM CCn1cc(S(=O)(=O)N2CC(C)(C)[C@@H]2C(=O)[O-])nc1C ZINC000630426192 397018471 /nfs/dbraw/zinc/01/84/71/397018471.db2.gz DXMVIBLAOYJVTQ-JTQLQIEISA-N -1 0 301.368 0.695 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@@H]1C ZINC000384459874 397280038 /nfs/dbraw/zinc/28/00/38/397280038.db2.gz KDUGZMZOYAHHBE-VHSXEESVSA-N -1 0 301.368 0.900 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384944952 397282563 /nfs/dbraw/zinc/28/25/63/397282563.db2.gz QYDZNXXBJSKULX-BWZBUEFSSA-N -1 0 320.392 0.774 10 0 DCAERM CO[C@H](C)c1nc(=N[C@H]2CCN(S(C)(=O)=O)C2)s[n-]1 ZINC000400250878 397317714 /nfs/dbraw/zinc/31/77/14/397317714.db2.gz BWRZODYMIGGZHN-SFYZADRCSA-N -1 0 306.413 0.113 10 0 DCAERM COC(=O)CCCS(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000405420624 397331838 /nfs/dbraw/zinc/33/18/38/397331838.db2.gz XOOHYEYDDGNOTH-JTQLQIEISA-N -1 0 307.368 0.360 10 0 DCAERM O=C1C[C@H]([N-]S(=O)(=O)CC(F)(F)F)[C@H]2CCCCN12 ZINC000407974492 397342774 /nfs/dbraw/zinc/34/27/74/397342774.db2.gz BMIUVGSRINMTGI-JGVFFNPUSA-N -1 0 300.302 0.622 10 0 DCAERM COCC(=O)N(C)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000263411091 292173759 /nfs/dbraw/zinc/17/37/59/292173759.db2.gz IXLHSLWMUCIQQH-UTUOFQBUSA-N -1 0 312.366 0.336 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)c1 ZINC000092877474 158116892 /nfs/dbraw/zinc/11/68/92/158116892.db2.gz IQRHIZXXGMSBCQ-UHFFFAOYSA-N -1 0 309.351 0.759 10 0 DCAERM CC(C)C[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000094706371 158122527 /nfs/dbraw/zinc/12/25/27/158122527.db2.gz XLRDCRKFRVACMA-NWDGAFQWSA-N -1 0 301.387 0.363 10 0 DCAERM O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CC[C@@H](O)C1 ZINC000132678556 158312871 /nfs/dbraw/zinc/31/28/71/158312871.db2.gz GHNWNVQXABOAGY-YPMHNXCESA-N -1 0 304.346 0.590 10 0 DCAERM O=C([O-])c1ccn(-c2ccccc2NC(=O)[C@@H]2COCCO2)n1 ZINC000262418441 158811202 /nfs/dbraw/zinc/81/12/02/158811202.db2.gz MRCIXITWFMRAGC-ZDUSSCGKSA-N -1 0 317.301 0.924 10 0 DCAERM Cc1cnn(C[C@@H]2CN(c3cnc(C(=O)[O-])cn3)CCO2)c1 ZINC000263519096 158884916 /nfs/dbraw/zinc/88/49/16/158884916.db2.gz QBJYXBWHHPYCHP-NSHDSACASA-N -1 0 303.322 0.585 10 0 DCAERM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1 ZINC000408125937 160042653 /nfs/dbraw/zinc/04/26/53/160042653.db2.gz HOJUPGCLIDZJAZ-YUMQZZPRSA-N -1 0 302.377 0.468 10 0 DCAERM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2)C1 ZINC000408132447 160044079 /nfs/dbraw/zinc/04/40/79/160044079.db2.gz KQBRJHRKDCOSDC-CBAPKCEASA-N -1 0 302.377 0.468 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1sccc1C ZINC000408225095 160063596 /nfs/dbraw/zinc/06/35/96/160063596.db2.gz SBJGBQPPBDMVMN-JTQLQIEISA-N -1 0 318.420 0.582 10 0 DCAERM CO[C@]1(C(=O)[N-]S(=O)(=O)c2sccc2C)CCOC1 ZINC000408241069 160067255 /nfs/dbraw/zinc/06/72/55/160067255.db2.gz HLNLNELXDUUILH-LLVKDONJSA-N -1 0 305.377 0.667 10 0 DCAERM C[C@H](CN1CC[NH+](C)CC1)[N-]S(=O)(=O)CC(F)(F)F ZINC000408310725 160082419 /nfs/dbraw/zinc/08/24/19/160082419.db2.gz UDEYFEBTMCJFIZ-SECBINFHSA-N -1 0 303.350 0.104 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1n[nH]c(C)c1C ZINC000408444955 160109514 /nfs/dbraw/zinc/10/95/14/160109514.db2.gz WTJMJQBCWVQMPH-UHFFFAOYSA-N -1 0 311.367 0.496 10 0 DCAERM CC(C)[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)C2COC2)CCO1 ZINC000408476028 160116316 /nfs/dbraw/zinc/11/63/16/160116316.db2.gz IZIJIDROISBPSD-ZYHUDNBSSA-N -1 0 305.396 0.673 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408477478 160117090 /nfs/dbraw/zinc/11/70/90/160117090.db2.gz ASBGXFXJGHQAFL-TUAOUCFPSA-N -1 0 305.396 0.817 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)C2CCCCC2)CCC(=O)NC1 ZINC000408479071 160117097 /nfs/dbraw/zinc/11/70/97/160117097.db2.gz LBIWIQABXBHHHB-CYBMUJFWSA-N -1 0 302.396 0.681 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)c(C)o1 ZINC000408484383 160118623 /nfs/dbraw/zinc/11/86/23/160118623.db2.gz ZWDXOUVYHVVMHF-ZDUSSCGKSA-N -1 0 314.363 0.618 10 0 DCAERM C[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000408492780 160118921 /nfs/dbraw/zinc/11/89/21/160118921.db2.gz KOKWTVVOIFAQSA-RNCFNFMXSA-N -1 0 311.359 0.947 10 0 DCAERM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)c2C1 ZINC000408497817 160119826 /nfs/dbraw/zinc/11/98/26/160119826.db2.gz JYCPWXUKWMFXQM-VHSXEESVSA-N -1 0 313.379 0.314 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000408500244 160120578 /nfs/dbraw/zinc/12/05/78/160120578.db2.gz PNFADPRGMBKEOS-VOAKCMCISA-N -1 0 316.423 0.342 10 0 DCAERM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000120659615 415780540 /nfs/dbraw/zinc/78/05/40/415780540.db2.gz CTFRUUYRLJKDLV-JFUSQASVSA-N -1 0 302.334 0.967 10 0 DCAERM CNS(=O)(=O)c1cc(C(=O)NCc2cccc(C)n2)co1 ZINC000121076498 415793642 /nfs/dbraw/zinc/79/36/42/415793642.db2.gz RUNSVPIEAUTEQX-UHFFFAOYSA-N -1 0 309.347 0.821 10 0 DCAERM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)Cc2ccccc2O1 ZINC000294183160 415871527 /nfs/dbraw/zinc/87/15/27/415871527.db2.gz MWDOKTMVIDZPKK-SNVBAGLBSA-N -1 0 315.329 0.909 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000133473246 415945792 /nfs/dbraw/zinc/94/57/92/415945792.db2.gz PYJFFANZGMTSCM-UWVGGRQHSA-N -1 0 301.368 0.836 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1cc(F)ccc1-n1cccn1 ZINC000356927147 416006691 /nfs/dbraw/zinc/00/66/91/416006691.db2.gz CXAIQQVQMLMOKN-UHFFFAOYSA-N -1 0 313.296 0.944 10 0 DCAERM COCCOC1CCC(C(=O)NC2(c3nnn[n-]3)CC2)CC1 ZINC000356939177 416009215 /nfs/dbraw/zinc/00/92/15/416009215.db2.gz SYURGFXMBMSTNK-UHFFFAOYSA-N -1 0 309.370 0.527 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000357069328 416029020 /nfs/dbraw/zinc/02/90/20/416029020.db2.gz IGLLVPCIGIIINN-SNVBAGLBSA-N -1 0 316.321 0.182 10 0 DCAERM C[C@@H](Oc1cccc(CO)c1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357076018 416030800 /nfs/dbraw/zinc/03/08/00/416030800.db2.gz LFVVHKNBLXIASM-SECBINFHSA-N -1 0 303.322 0.265 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@@H]2CCC(=O)[O-])c1 ZINC000313186185 416107332 /nfs/dbraw/zinc/10/73/32/416107332.db2.gz LDORZJGLWQRQQG-SNVBAGLBSA-N -1 0 301.368 0.921 10 0 DCAERM CC(=O)NCCN(C(=O)CCOCC(C)C)[C@@H](C)C(=O)[O-] ZINC000357764550 416128709 /nfs/dbraw/zinc/12/87/09/416128709.db2.gz APBHOJKQCUEGIR-NSHDSACASA-N -1 0 302.371 0.487 10 0 DCAERM O=C(NCc1nc(C(F)(F)F)n[nH]1)NC[C@H](O)C(F)(F)F ZINC000361708152 416480505 /nfs/dbraw/zinc/48/05/05/416480505.db2.gz XMDHUSWXDWSSOY-VKHMYHEASA-N -1 0 321.181 0.546 10 0 DCAERM CO[C@@H](C)CC(=O)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000583623070 416480554 /nfs/dbraw/zinc/48/05/54/416480554.db2.gz LOGSEKPDONVJBZ-AAEUAGOBSA-N -1 0 314.382 0.726 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@@H]2Cc3ccccc3O2)n[n-]1 ZINC000439155328 416607880 /nfs/dbraw/zinc/60/78/80/416607880.db2.gz UKMBNXSDZYFGCM-VIFPVBQESA-N -1 0 308.319 0.150 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000542857624 416634389 /nfs/dbraw/zinc/63/43/89/416634389.db2.gz AGWCEWDDYKNHTJ-JTQLQIEISA-N -1 0 313.379 0.641 10 0 DCAERM C/C=C/C[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000518294727 416847941 /nfs/dbraw/zinc/84/79/41/416847941.db2.gz SDUGYCBQJRIDED-VUDBWIFFSA-N -1 0 318.395 0.530 10 0 DCAERM NS(=O)(=O)N1CCCO[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616661003 417089332 /nfs/dbraw/zinc/08/93/32/417089332.db2.gz VIAHZZJXJKYHDZ-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N3CC(C(=O)[O-])C3)[C@H]2C1 ZINC000621835114 417312822 /nfs/dbraw/zinc/31/28/22/417312822.db2.gz KUJCITWSDMTXDV-WCFLWFBJSA-N -1 0 309.366 0.359 10 0 DCAERM CC(C)[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000575985278 417568723 /nfs/dbraw/zinc/56/87/23/417568723.db2.gz DRBLTJIIVZHTQZ-VIFPVBQESA-N -1 0 303.340 0.153 10 0 DCAERM C(N=c1[n-]c(C2CCOCC2)no1)C1(N2CCOCC2)CC1 ZINC000576804209 417637261 /nfs/dbraw/zinc/63/72/61/417637261.db2.gz KPJLXBRHMNXECT-UHFFFAOYSA-N -1 0 308.382 0.662 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000645975341 417839291 /nfs/dbraw/zinc/83/92/91/417839291.db2.gz YIXFHXRTRAZDQR-WPRPVWTQSA-N -1 0 303.336 0.807 10 0 DCAERM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)N=c1nc(CC)[n-]s1 ZINC000362667817 262057983 /nfs/dbraw/zinc/05/79/83/262057983.db2.gz RNTSIXZZWAOWCV-JGVFFNPUSA-N -1 0 300.384 0.391 10 0 DCAERM Cc1c(C(=O)NC2(c3nnn[n-]3)CC2)[nH]c2c1C(=O)CCC2 ZINC000357099834 271041268 /nfs/dbraw/zinc/04/12/68/271041268.db2.gz VUPHQQFCKCQXNF-UHFFFAOYSA-N -1 0 300.322 0.774 10 0 DCAERM CCN(C)S(=O)(=O)N(Cc1csc(C)n1)[C@@H](C)C(=O)[O-] ZINC000547895134 288089240 /nfs/dbraw/zinc/08/92/40/288089240.db2.gz FHXFBXVOJFNWTG-QMMMGPOBSA-N -1 0 321.424 0.923 10 0 DCAERM C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000548467047 288146624 /nfs/dbraw/zinc/14/66/24/288146624.db2.gz RULICTKTKMKOMK-WDEREUQCSA-N -1 0 316.365 0.580 10 0 DCAERM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408501805 289012687 /nfs/dbraw/zinc/01/26/87/289012687.db2.gz RFYQBTZHPHHTTI-YBXAARCKSA-N -1 0 314.407 0.345 10 0 DCAERM C[C@H](C(=O)[O-])N(C(=O)Cn1c(=O)[nH]c2ccccc21)C1CC1 ZINC000262609620 298202189 /nfs/dbraw/zinc/20/21/89/298202189.db2.gz KZMCODDOZAFOAY-SECBINFHSA-N -1 0 303.318 0.794 10 0 DCAERM NC(=O)CSCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262473540 303254759 /nfs/dbraw/zinc/25/47/59/303254759.db2.gz XEGIAWVFGGZBOA-AEJSXWLSSA-N -1 0 300.380 0.449 10 0 DCAERM CC[C@H](CCC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000391671290 336960246 /nfs/dbraw/zinc/96/02/46/336960246.db2.gz HELUNNXNZGIVEO-GMTAPVOTSA-N -1 0 308.400 0.573 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)C[C@@H](C)O1 ZINC000399194748 337314244 /nfs/dbraw/zinc/31/42/44/337314244.db2.gz IOKBMBWSWRIVMY-KKZNHRDASA-N -1 0 306.384 0.183 10 0 DCAERM COCCN(CC(C)C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037836668 337368182 /nfs/dbraw/zinc/36/81/82/337368182.db2.gz ULGIKXCFFKURGK-UHFFFAOYSA-N -1 0 305.356 0.401 10 0 DCAERM CC(=O)N(C)CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000262431809 519447842 /nfs/dbraw/zinc/44/78/42/519447842.db2.gz DYYFMXRXIMMSPB-UHFFFAOYSA-N -1 0 321.333 0.308 10 0 DCAERM CC(C)(C)CS(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000092778611 545724127 /nfs/dbraw/zinc/72/41/27/545724127.db2.gz ZYCJVMNWKOWOJC-SNVBAGLBSA-N -1 0 301.368 0.597 10 0 DCAERM C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000149338902 545810510 /nfs/dbraw/zinc/81/05/10/545810510.db2.gz BUARDEJOPAZOKM-XCBNKYQSSA-N -1 0 303.311 0.980 10 0 DCAERM C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000227867156 545944665 /nfs/dbraw/zinc/94/46/65/545944665.db2.gz ZGUOYCKQOUSFBW-ZCFIWIBFSA-N -1 0 307.759 0.415 10 0 DCAERM Cc1n[nH]cc1S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000284923721 546002041 /nfs/dbraw/zinc/00/20/41/546002041.db2.gz BYTASHNVYAVDFA-SSDOTTSWSA-N -1 0 309.294 0.449 10 0 DCAERM CO[C@H](C)c1nsc(=NCCN2CCCS2(=O)=O)[n-]1 ZINC000405365372 546229446 /nfs/dbraw/zinc/22/94/46/546229446.db2.gz UDIHMSSLWJUHOU-MRVPVSSYSA-N -1 0 306.413 0.115 10 0 DCAERM CO[C@H]1CC[C@@H]1N(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000724191727 658042279 /nfs/dbraw/zinc/04/22/79/658042279.db2.gz HNTZGNODBLJWON-BQBZGAKWSA-N -1 0 306.365 0.639 10 0 DCAERM CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000235030013 658393873 /nfs/dbraw/zinc/39/38/73/658393873.db2.gz KFDPYHHELPMHMN-KXUCPTDWSA-N -1 0 321.420 0.433 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC/C=C/C(=O)[O-] ZINC000291840359 658553199 /nfs/dbraw/zinc/55/31/99/658553199.db2.gz HFRWXCMUFROBAH-FUEXJSSKSA-N -1 0 318.395 0.338 10 0 DCAERM CC(C)[C@@H](C(=O)N[C@H](C)CCC(=O)[O-])N1CCCS1(=O)=O ZINC000262227920 658843169 /nfs/dbraw/zinc/84/31/69/658843169.db2.gz RYLAORBVHXVGBA-PWSUYJOCSA-N -1 0 320.411 0.416 10 0 DCAERM Cn1cc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])ccc1=O ZINC000262090031 662053880 /nfs/dbraw/zinc/05/38/80/662053880.db2.gz CMLSRPOVJLEMIW-LLVKDONJSA-N -1 0 310.350 0.774 10 0 DCAERM CCOCCOc1ccccc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262468928 662401809 /nfs/dbraw/zinc/40/18/09/662401809.db2.gz GRHPXWGLWIZIOU-HNNXBMFYSA-N -1 0 311.334 0.667 10 0 DCAERM CCC[C@H](C)C(=O)NCCNC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263362004 662679924 /nfs/dbraw/zinc/67/99/24/662679924.db2.gz KPLGUPHNUUDJSI-WDEREUQCSA-N -1 0 301.387 0.901 10 0 DCAERM Cn1cccc(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)c1=O ZINC000864145521 667219295 /nfs/dbraw/zinc/21/92/95/667219295.db2.gz NOBXKUGQQMQJRS-LBPRGKRZSA-N -1 0 308.334 0.243 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000888337414 667300769 /nfs/dbraw/zinc/30/07/69/667300769.db2.gz ASGPEWOMRYIWOE-MRVPVSSYSA-N -1 0 309.355 0.177 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000705909016 667392266 /nfs/dbraw/zinc/39/22/66/667392266.db2.gz ALEDSSFGZZKWDX-LBPRGKRZSA-N -1 0 303.311 0.690 10 0 DCAERM Cc1nc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)oc1C ZINC000886071734 667728333 /nfs/dbraw/zinc/72/83/33/667728333.db2.gz BVNWKKKKMMRIOG-HNNXBMFYSA-N -1 0 309.366 0.653 10 0 DCAERM O=C([O-])[C@H](NC(=O)Cn1cnnn1)c1ccc2ccccc2c1 ZINC000191478875 670035517 /nfs/dbraw/zinc/03/55/17/670035517.db2.gz VTQKDLKURGBGIK-CQSZACIVSA-N -1 0 311.301 0.768 10 0 DCAERM C[C@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000192219937 670139669 /nfs/dbraw/zinc/13/96/69/670139669.db2.gz DKXLZIAPFNCUKV-HTQZYQBOSA-N -1 0 321.786 0.694 10 0 DCAERM CO[C@H]1C[C@H](CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000714671530 670192323 /nfs/dbraw/zinc/19/23/23/670192323.db2.gz ZLJDXTRRODYORT-DCAQKATOSA-N -1 0 306.384 0.042 10 0 DCAERM O=C([N-]S(=O)(=O)c1ncccc1F)c1n[nH]c2c1CCCC2 ZINC000190409932 670437690 /nfs/dbraw/zinc/43/76/90/670437690.db2.gz DGUDJXULWRQMCF-UHFFFAOYSA-N -1 0 324.337 0.941 10 0 DCAERM O=C([O-])[C@H](Cc1cncs1)NC(=O)N[C@H]1CCSC1 ZINC000719036101 685307531 /nfs/dbraw/zinc/30/75/31/685307531.db2.gz PGMWABORCJHRLX-CBAPKCEASA-N -1 0 301.393 0.944 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCOC1(C)C ZINC000328264596 1157795327 /nfs/dbraw/zinc/79/53/27/1157795327.db2.gz SXPQGSXBBUJFHD-SSDOTTSWSA-N -1 0 320.392 0.776 10 0 DCAERM C[C@@]1(C(=O)[O-])CCN(C(=O)CCn2nc3ccccn3c2=O)C1 ZINC000237644812 1181051635 /nfs/dbraw/zinc/05/16/35/1181051635.db2.gz GYNDNIBXIHDQKD-OAHLLOKOSA-N -1 0 318.333 0.209 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000261827692 1185159819 /nfs/dbraw/zinc/15/98/19/1185159819.db2.gz HTHMQSCMZJLWIM-WCQYABFASA-N -1 0 318.329 0.885 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)COCCc2ccccc2)C1 ZINC000262150320 1185162669 /nfs/dbraw/zinc/16/26/69/1185162669.db2.gz NLOFDPVIPCSLBS-KGLIPLIRSA-N -1 0 307.346 0.946 10 0 DCAERM CCN(CC)C(=O)CCCC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000262106821 1185162792 /nfs/dbraw/zinc/16/27/92/1185162792.db2.gz GHVICNIKXBJISF-RYUDHWBXSA-N -1 0 314.382 0.726 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CSCC(F)(F)F)C1 ZINC000262913293 1185174095 /nfs/dbraw/zinc/17/40/95/1185174095.db2.gz HPWRDFKVBQIAQQ-RQJHMYQMSA-N -1 0 301.286 0.982 10 0 DCAERM CO[C@H](CNC(=O)C[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC000263159089 1185177146 /nfs/dbraw/zinc/17/71/46/1185177146.db2.gz YLKNYCDWBZTOSY-MWLCHTKSSA-N -1 0 300.355 0.287 10 0 DCAERM COC1(C)CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000382977580 1190699099 /nfs/dbraw/zinc/69/90/99/1190699099.db2.gz NVZAEKAKUVMEBR-UHFFFAOYSA-N -1 0 302.308 0.710 10 0 DCAERM CCC(CC)[C@H](O)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689202939 954645038 /nfs/dbraw/zinc/64/50/38/954645038.db2.gz SMRPZPPIDNAEOO-WDEREUQCSA-N -1 0 308.400 0.167 10 0 DCAERM O=C([O-])[C@@H]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000694079781 954771906 /nfs/dbraw/zinc/77/19/06/954771906.db2.gz JAOBIEHJVSHFNK-ZJUUUORDSA-N -1 0 304.368 0.070 10 0 DCAERM C[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)S(C)(=O)=O ZINC000697580194 954826947 /nfs/dbraw/zinc/82/69/47/954826947.db2.gz KUHGWXLPGBFLNB-QMMMGPOBSA-N -1 0 300.336 0.939 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC000687072712 976131353 /nfs/dbraw/zinc/13/13/53/976131353.db2.gz TZCANCINOCHYCW-GFCCVEGCSA-N -1 0 301.368 0.825 10 0 DCAERM CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000688081485 976167323 /nfs/dbraw/zinc/16/73/23/976167323.db2.gz DPBBBXVLIYSJMU-QMMMGPOBSA-N -1 0 306.340 0.807 10 0 DCAERM C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000688105612 976169779 /nfs/dbraw/zinc/16/97/79/976169779.db2.gz HLZBPOWXIAKWJN-WCBMZHEXSA-N -1 0 303.336 0.902 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CCSC[C@H]2CCO)c[nH]1 ZINC000689336970 976249759 /nfs/dbraw/zinc/24/97/59/976249759.db2.gz PIWKELMTJVGFDO-MRVPVSSYSA-N -1 0 320.392 0.201 10 0 DCAERM COCC1(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC000691806005 976383780 /nfs/dbraw/zinc/38/37/80/976383780.db2.gz HXSKANUWEIJMDY-UHFFFAOYSA-N -1 0 300.336 0.485 10 0 DCAERM CC(=O)N[C@@H](CS(=O)(=O)Cc1sc(C)nc1C)C(=O)[O-] ZINC000691895551 976388237 /nfs/dbraw/zinc/38/82/37/976388237.db2.gz ZECJMVKMEDACJX-VIFPVBQESA-N -1 0 320.392 0.264 10 0 DCAERM CS(=O)(=O)CCCCNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000692802914 976548352 /nfs/dbraw/zinc/54/83/52/976548352.db2.gz KCNQUZCBPBITSB-SNVBAGLBSA-N -1 0 306.384 0.460 10 0 DCAERM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCCC2SCCS2)C1 ZINC000693777537 976655024 /nfs/dbraw/zinc/65/50/24/976655024.db2.gz RNYUGTQLQWOLHZ-DTWKUNHWSA-N -1 0 320.436 0.660 10 0 DCAERM Cn1ncc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1Cl ZINC000694127147 976668293 /nfs/dbraw/zinc/66/82/93/976668293.db2.gz YUNAJJBDMVQRIC-RNFRBKRXSA-N -1 0 302.718 0.373 10 0 DCAERM CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694171210 976674521 /nfs/dbraw/zinc/67/45/21/976674521.db2.gz HXELYMYDUDEYTR-JTQLQIEISA-N -1 0 302.352 0.740 10 0 DCAERM CO[C@]1(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CCOC1 ZINC000694211707 976683947 /nfs/dbraw/zinc/68/39/47/976683947.db2.gz LNLJVAUQAXCKRM-NSHDSACASA-N -1 0 305.308 0.062 10 0 DCAERM C[C@@H](CNC(=O)c1ccsc1CC(=O)[O-])S(C)(=O)=O ZINC000697621332 976853437 /nfs/dbraw/zinc/85/34/37/976853437.db2.gz SYWBNFRHEZIDMT-ZETCQYMHSA-N -1 0 305.377 0.538 10 0 DCAERM O=C([O-])C[C@@H](O)CNC(=O)c1ncsc1Br ZINC000698625819 976896733 /nfs/dbraw/zinc/89/67/33/976896733.db2.gz RJJGQHKEGWOWNV-SCSAIBSYSA-N -1 0 309.141 0.471 10 0 DCAERM C[C@H](CC(=O)[O-])CC(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000675077064 547659073 /nfs/dbraw/zinc/65/90/73/547659073.db2.gz WZOLIXJRUYHSCJ-OFLUOSHYSA-N -1 0 303.380 0.712 10 0 DCAERM CCC1(C(=O)[O-])CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000062846824 282342370 /nfs/dbraw/zinc/34/23/70/282342370.db2.gz VJDKNCYFRMXPLS-UHFFFAOYSA-N -1 0 318.395 0.414 10 0 DCAERM CC[C@H](C(=O)[O-])N(C)C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000044616660 545651525 /nfs/dbraw/zinc/65/15/25/545651525.db2.gz FVNRDAZLTYGYCX-LLVKDONJSA-N -1 0 320.411 0.370 10 0 DCAERM CO[C@@H](C)C(=O)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000328625707 293399377 /nfs/dbraw/zinc/39/93/77/293399377.db2.gz DLCURJUYGWBRGN-JQWIXIFHSA-N -1 0 300.355 0.336 10 0 DCAERM Cc1[nH]c(=S)sc1CC(=O)NCCc1nc(=O)o[n-]1 ZINC000280079704 215361288 /nfs/dbraw/zinc/36/12/88/215361288.db2.gz KKEFUMFNTVTWDX-UHFFFAOYSA-N -1 0 300.365 0.318 10 0 DCAERM CCc1nnc([C@@H]2CN(C(=O)c3cncc(O)c3)CCO2)[nH]1 ZINC000173756701 198248559 /nfs/dbraw/zinc/24/85/59/198248559.db2.gz NBSBFYAPKYEOPH-NSHDSACASA-N -1 0 303.322 0.681 10 0 DCAERM CN(C)S(=O)(=O)c1ccc2nc(NCCC(=O)[O-])cnc2c1 ZINC000073737606 191349009 /nfs/dbraw/zinc/34/90/09/191349009.db2.gz VYJQJXKKRMNJTJ-UHFFFAOYSA-N -1 0 324.362 0.767 10 0 DCAERM O=C([O-])Cn1nc(C(=O)NCc2cccc(Cl)c2)ccc1=O ZINC000073738308 191351173 /nfs/dbraw/zinc/35/11/73/191351173.db2.gz CMHJDISZDWQZTC-UHFFFAOYSA-N -1 0 321.720 0.911 10 0 DCAERM CCC[C@@](C)(NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236951493 202090729 /nfs/dbraw/zinc/09/07/29/202090729.db2.gz FAWKGUJAGKZMFI-OAHLLOKOSA-N -1 0 320.349 0.646 10 0 DCAERM C[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CCCC1 ZINC000172135927 299254796 /nfs/dbraw/zinc/25/47/96/299254796.db2.gz QHOCLTNTURJJIV-QMMMGPOBSA-N -1 0 302.334 0.920 10 0 DCAERM C[C@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CCN1CCO ZINC000187274272 200087114 /nfs/dbraw/zinc/08/71/14/200087114.db2.gz AMVPKQPKCKAQPU-QMMMGPOBSA-N -1 0 318.295 0.948 10 0 DCAERM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)NC1CC1 ZINC000159550864 291235132 /nfs/dbraw/zinc/23/51/32/291235132.db2.gz VGSXOQHHNDSQHM-UHFFFAOYSA-N -1 0 301.280 0.702 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000162191813 291243424 /nfs/dbraw/zinc/24/34/24/291243424.db2.gz GWYGYHNVGPKHMS-GARJFASQSA-N -1 0 306.384 0.137 10 0 DCAERM CCOC[C@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000567792748 291378019 /nfs/dbraw/zinc/37/80/19/291378019.db2.gz OYQDVDQJQDLJSM-QMMMGPOBSA-N -1 0 303.340 0.155 10 0 DCAERM NC(=O)CC[C@H](NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000019275540 182111843 /nfs/dbraw/zinc/11/18/43/182111843.db2.gz CAGFNUWYKUSWRA-YFKPBYRVSA-N -1 0 319.111 0.491 10 0 DCAERM NC(=S)c1cccc(S(=O)(=O)[N-]c2nncs2)c1 ZINC000019814737 182153320 /nfs/dbraw/zinc/15/33/20/182153320.db2.gz HGNJXMHDPFETAO-UHFFFAOYSA-N -1 0 300.390 0.973 10 0 DCAERM NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000019998240 182176009 /nfs/dbraw/zinc/17/60/09/182176009.db2.gz WJZIIKAACKWNFR-MRVPVSSYSA-N -1 0 318.376 0.014 10 0 DCAERM Nn1c(SCC(=O)[O-])nnc1[C@@H]1COc2ccccc2O1 ZINC000020303781 182204622 /nfs/dbraw/zinc/20/46/22/182204622.db2.gz NNNJKGRITJDDIG-VIFPVBQESA-N -1 0 308.319 0.681 10 0 DCAERM NC(=O)Nc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000043509825 183368898 /nfs/dbraw/zinc/36/88/98/183368898.db2.gz BLDJIQPNBUJSPJ-CYBMUJFWSA-N -1 0 309.347 0.867 10 0 DCAERM C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2 ZINC000105822738 194136939 /nfs/dbraw/zinc/13/69/39/194136939.db2.gz ZAPHKADRPGVFEQ-HTQZYQBOSA-N -1 0 312.347 0.884 10 0 DCAERM O=c1[n-]/c(=C/c2cccc(O)c2)c(=O)[nH]/c1=C/c1cccc(O)c1 ZINC000110379829 194326248 /nfs/dbraw/zinc/32/62/48/194326248.db2.gz KKEUNBNPGVHQQB-KAVGSWPWSA-N -1 0 322.320 0.132 10 0 DCAERM Cc1cc(CCCC(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc1F ZINC000062458915 184237855 /nfs/dbraw/zinc/23/78/55/184237855.db2.gz BIRVVOORFIMPFY-LBPRGKRZSA-N -1 0 310.325 0.902 10 0 DCAERM CCOC(=O)CC([O-])=C[C@](O)(C(=O)OCC)C(F)(F)F ZINC000012506013 395687704 /nfs/dbraw/zinc/68/77/04/395687704.db2.gz SRWPIDLOQORYQZ-JTQLQIEISA-N -1 0 300.229 0.755 10 0 DCAERM COC(=O)CCCS(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000089426254 395711777 /nfs/dbraw/zinc/71/17/77/395711777.db2.gz RYIPTAVMAWUHOR-NXEZZACHSA-N -1 0 307.368 0.360 10 0 DCAERM CS(=O)(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000035212281 395719741 /nfs/dbraw/zinc/71/97/41/395719741.db2.gz ZNBXALGYKGXGBJ-UHFFFAOYSA-N -1 0 300.336 0.593 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090932952 395720153 /nfs/dbraw/zinc/72/01/53/395720153.db2.gz XSSIZDPTZQABTQ-UHFFFAOYSA-N -1 0 316.364 0.660 10 0 DCAERM C[C@H](O)[C@@H](NS(=O)(=O)c1cccc2cnccc21)C(=O)[O-] ZINC000036201302 395722300 /nfs/dbraw/zinc/72/23/00/395722300.db2.gz VBAOLWDPLUJIQF-QPUJVOFHSA-N -1 0 310.331 0.347 10 0 DCAERM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000044618495 395757644 /nfs/dbraw/zinc/75/76/44/395757644.db2.gz VCSSFAQLPWLMIT-SNVBAGLBSA-N -1 0 300.336 0.269 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000195289670 395823727 /nfs/dbraw/zinc/82/37/27/395823727.db2.gz WJZDTSZLVOJDJI-JVHMLUBASA-N -1 0 302.318 0.476 10 0 DCAERM COC(=O)CCS(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000049063155 395827845 /nfs/dbraw/zinc/82/78/45/395827845.db2.gz ZTVVHKYCLWLWNQ-UHFFFAOYSA-N -1 0 301.320 0.998 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])no1 ZINC000125665770 395904791 /nfs/dbraw/zinc/90/47/91/395904791.db2.gz DAUJTSYTYKHSDW-LDYMZIIASA-N -1 0 302.352 0.998 10 0 DCAERM C[C@@H](O)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000118719590 395863854 /nfs/dbraw/zinc/86/38/54/395863854.db2.gz IAOOKWSHNBISGP-MRVPVSSYSA-N -1 0 307.375 0.723 10 0 DCAERM NNS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000133110491 395928464 /nfs/dbraw/zinc/92/84/64/395928464.db2.gz DCLNNEDFRRGCNU-UHFFFAOYSA-N -1 0 301.143 0.361 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000133244387 395928740 /nfs/dbraw/zinc/92/87/40/395928740.db2.gz YDSPCFSOWRCENZ-NKWVEPMBSA-N -1 0 321.376 0.922 10 0 DCAERM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000061181422 395966381 /nfs/dbraw/zinc/96/63/81/395966381.db2.gz IICNQUFSKAHQFA-MXWKQRLJSA-N -1 0 308.400 0.526 10 0 DCAERM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CCS(=O)(=O)CC1 ZINC000149094674 395969559 /nfs/dbraw/zinc/96/95/59/395969559.db2.gz GDQPKCZYHYRQCH-VIFPVBQESA-N -1 0 307.368 0.789 10 0 DCAERM O=C([O-])CCCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000070199948 396100636 /nfs/dbraw/zinc/10/06/36/396100636.db2.gz KKKDGKDVAWOFGJ-UHFFFAOYSA-N -1 0 312.347 0.714 10 0 DCAERM CSCCCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262121688 396101356 /nfs/dbraw/zinc/10/13/56/396101356.db2.gz GJVRJOUYZZNQBF-NSHDSACASA-N -1 0 316.423 0.911 10 0 DCAERM CN1CCO[C@@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000171287890 396112674 /nfs/dbraw/zinc/11/26/74/396112674.db2.gz OFXAMJZWKUDFHM-NSHDSACASA-N -1 0 301.346 0.589 10 0 DCAERM O=C([O-])[C@H](CC(F)F)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000262884028 396190118 /nfs/dbraw/zinc/19/01/18/396190118.db2.gz CJCYGMLMKCYFHU-QMMMGPOBSA-N -1 0 313.260 0.554 10 0 DCAERM C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000263169025 396204620 /nfs/dbraw/zinc/20/46/20/396204620.db2.gz JDUAVGZDLBHOIN-YUMQZZPRSA-N -1 0 321.786 0.805 10 0 DCAERM CCOc1ccncc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263452400 396217484 /nfs/dbraw/zinc/21/74/84/396217484.db2.gz AYMQZBXAHINDGA-SNVBAGLBSA-N -1 0 314.363 0.966 10 0 DCAERM CS(=O)(=O)NCCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000187177462 396364408 /nfs/dbraw/zinc/36/44/08/396364408.db2.gz MCJQEMOMVIFBHF-UHFFFAOYSA-N -1 0 324.761 0.854 10 0 DCAERM CC[C@@H]1CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000292004546 396524514 /nfs/dbraw/zinc/52/45/14/396524514.db2.gz VFOZUCBKYXAKOX-SSDOTTSWSA-N -1 0 310.335 0.609 10 0 DCAERM CC(=O)c1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n(C)c1 ZINC000533572654 396606441 /nfs/dbraw/zinc/60/64/41/396606441.db2.gz KFHXVQAJIZOGND-SNVBAGLBSA-N -1 0 302.338 0.761 10 0 DCAERM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCCCC2)CCC1(F)F ZINC000376635892 396955768 /nfs/dbraw/zinc/95/57/68/396955768.db2.gz BIOFAQBOECWADH-VIFPVBQESA-N -1 0 312.338 0.759 10 0 DCAERM COc1ccc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nc1 ZINC000571948895 397004447 /nfs/dbraw/zinc/00/44/47/397004447.db2.gz AJUJXLJPMZUIGV-SNVBAGLBSA-N -1 0 302.338 0.552 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)s2)C1 ZINC000380744071 397271213 /nfs/dbraw/zinc/27/12/13/397271213.db2.gz ACTIQOPYDBJDLV-NSHDSACASA-N -1 0 320.392 0.563 10 0 DCAERM O=C([O-])c1coc(CN2CCn3c(nnc3C(F)(F)F)C2)n1 ZINC000387056474 397291965 /nfs/dbraw/zinc/29/19/65/397291965.db2.gz WKOOGXSQZGUWEL-UHFFFAOYSA-N -1 0 317.227 0.999 10 0 DCAERM CCOCCOCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262296874 286101187 /nfs/dbraw/zinc/10/11/87/286101187.db2.gz PFRKTDSTHQUHNS-RKDXNWHRSA-N -1 0 313.272 0.761 10 0 DCAERM CCc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])s1 ZINC000048481806 158006531 /nfs/dbraw/zinc/00/65/31/158006531.db2.gz OYIDVGTTXADRIO-CBAPKCEASA-N -1 0 305.377 0.519 10 0 DCAERM NC(=O)c1ccc(C(=O)NCc2nc(C(=O)[O-])cs2)cc1 ZINC000090932406 158105475 /nfs/dbraw/zinc/10/54/75/158105475.db2.gz BYJXSMFGTBQPDG-UHFFFAOYSA-N -1 0 305.315 0.870 10 0 DCAERM CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262205881 158784393 /nfs/dbraw/zinc/78/43/93/158784393.db2.gz ICVOTVKKPFSJTK-BJOHPYRUSA-N -1 0 323.349 0.030 10 0 DCAERM CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262721801 158835632 /nfs/dbraw/zinc/83/56/32/158835632.db2.gz QDMPEVZMEVOOAD-AEJSXWLSSA-N -1 0 300.380 0.667 10 0 DCAERM CO[C@H](CNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1)C(=O)[O-] ZINC000263110797 158856811 /nfs/dbraw/zinc/85/68/11/158856811.db2.gz PSDCFFMUPKYBQL-RDDDGLTNSA-N -1 0 303.261 0.948 10 0 DCAERM O=C(CSc1n[nH]c(=O)[n-]1)N1CCO[C@@]2(CCCOC2)C1 ZINC000329198481 159072554 /nfs/dbraw/zinc/07/25/54/159072554.db2.gz WQQNXIQKURKLTE-LBPRGKRZSA-N -1 0 314.367 0.010 10 0 DCAERM COCCC1(C(=O)[O-])CCN(S(=O)(=O)CCOC)CC1 ZINC000372256047 159611101 /nfs/dbraw/zinc/61/11/01/159611101.db2.gz UHLCFWOREMYQHU-UHFFFAOYSA-N -1 0 309.384 0.166 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1coc(Br)c1 ZINC000408382922 160096541 /nfs/dbraw/zinc/09/65/41/160096541.db2.gz FPMOGPIBYRGOKC-SSDOTTSWSA-N -1 0 324.152 0.891 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408388516 160098192 /nfs/dbraw/zinc/09/81/92/160098192.db2.gz DJMSSXMBTMXHNQ-GMTAPVOTSA-N -1 0 313.379 0.267 10 0 DCAERM CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)C3COC3)ccc21 ZINC000408477905 160116994 /nfs/dbraw/zinc/11/69/94/160116994.db2.gz PNABBNXXMGZFKR-UHFFFAOYSA-N -1 0 324.358 0.054 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)cc1 ZINC000408477852 160117130 /nfs/dbraw/zinc/11/71/30/160117130.db2.gz PEPDCHMEPCGYEP-AWEZNQCLSA-N -1 0 310.375 0.716 10 0 DCAERM CC1(C)COc2c1cccc2C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408481883 160117756 /nfs/dbraw/zinc/11/77/56/160117756.db2.gz YYGIZAMAZLSJSW-UHFFFAOYSA-N -1 0 311.359 0.815 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOCC2)nc1C ZINC000408485485 160118187 /nfs/dbraw/zinc/11/81/87/160118187.db2.gz QKLGMJHNIMHVLI-LLVKDONJSA-N -1 0 315.395 0.833 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@@H]1CCc2n[nH]cc2C1 ZINC000408485362 160118696 /nfs/dbraw/zinc/11/86/96/160118696.db2.gz HEMSBWOSGLDUKP-MWLCHTKSSA-N -1 0 313.379 0.140 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)O1 ZINC000408488231 160118930 /nfs/dbraw/zinc/11/89/30/160118930.db2.gz XPUMAUCOQVPWJM-NOZJJQNGSA-N -1 0 311.359 0.994 10 0 DCAERM CC(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408488572 160119079 /nfs/dbraw/zinc/11/90/79/160119079.db2.gz ZBXZRNOLCZHUNZ-GHMZBOCLSA-N -1 0 301.368 0.286 10 0 DCAERM CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000408491234 160119186 /nfs/dbraw/zinc/11/91/86/160119186.db2.gz GPQCAWFHGTZWJG-VXGBXAGGSA-N -1 0 305.396 0.674 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)C[C@H]1F ZINC000408495834 160119598 /nfs/dbraw/zinc/11/95/98/160119598.db2.gz FOYUJFSIJKSMGP-PWSUYJOCSA-N -1 0 301.295 0.968 10 0 DCAERM O=C(CCc1nc(-c2ccoc2)no1)NC1(c2nnn[n-]2)CC1 ZINC000357054329 287203147 /nfs/dbraw/zinc/20/31/47/287203147.db2.gz LPJQXZSXSCERAS-UHFFFAOYSA-N -1 0 315.293 0.581 10 0 DCAERM O=C([O-])/C=C\CNS(=O)(=O)c1ccc(Br)o1 ZINC000381299406 685238874 /nfs/dbraw/zinc/23/88/74/685238874.db2.gz CJNDJJSDFFREAH-UPHRSURJSA-N -1 0 310.125 0.961 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@@H]2CCCO2)C1 ZINC000038095981 415193952 /nfs/dbraw/zinc/19/39/52/415193952.db2.gz FQPPBHQJEASVRY-MNOVXSKESA-N -1 0 306.384 0.187 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])c1 ZINC000092890001 415544457 /nfs/dbraw/zinc/54/44/57/415544457.db2.gz QBUCTTCOSAPBHA-QMMMGPOBSA-N -1 0 307.397 0.388 10 0 DCAERM O=C(CCNC(=O)c1ccsc1)NC1(c2nnn[n-]2)CC1 ZINC000357069271 416027904 /nfs/dbraw/zinc/02/79/04/416027904.db2.gz MRHDQZGYJDEJJO-UHFFFAOYSA-N -1 0 306.351 0.187 10 0 DCAERM CCC(CC)N1C[C@@H](C(=O)NC2(c3nnn[n-]3)CC2)CC1=O ZINC000357076930 416030434 /nfs/dbraw/zinc/03/04/34/416030434.db2.gz NDAIINUVHXOEJU-VIFPVBQESA-N -1 0 306.370 0.342 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000263037617 416337316 /nfs/dbraw/zinc/33/73/16/416337316.db2.gz DBFCBGHOLXMABK-ZYHUDNBSSA-N -1 0 320.411 0.512 10 0 DCAERM CO[C@@H]1CCC[C@H](CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000359374033 416344228 /nfs/dbraw/zinc/34/42/28/416344228.db2.gz VVFFVSADWYFBEG-DTWKUNHWSA-N -1 0 316.383 0.742 10 0 DCAERM CC1(C)CN(c2nc3n[nH]cc3c(=O)[nH]2)C[C@]2(CCOC2)O1 ZINC000360248783 416382168 /nfs/dbraw/zinc/38/21/68/416382168.db2.gz JQFYMYIPJGFGEC-AWEZNQCLSA-N -1 0 305.338 0.833 10 0 DCAERM O=C([O-])CCCC(=O)NCCc1nnc(-c2cccnc2)[nH]1 ZINC000616576986 417081948 /nfs/dbraw/zinc/08/19/48/417081948.db2.gz BTHOCJRNEUVIIH-UHFFFAOYSA-N -1 0 303.322 0.780 10 0 DCAERM NS(=O)(=O)N1CCCO[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616651529 417086854 /nfs/dbraw/zinc/08/68/54/417086854.db2.gz VIAHZZJXJKYHDZ-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM C[C@H]1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1O ZINC000408090476 417141733 /nfs/dbraw/zinc/14/17/33/417141733.db2.gz CUYOBBCGZMUBLC-GWCFXTLKSA-N -1 0 312.391 0.901 10 0 DCAERM CC(C)(C)n1cnc(=NC(=O)N=c2ccn(CC(F)F)[nH]2)[n-]1 ZINC000525842988 417153071 /nfs/dbraw/zinc/15/30/71/417153071.db2.gz SCLRURLUDKUSAL-UHFFFAOYSA-N -1 0 313.312 0.983 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)s2)C1 ZINC000530154877 417547706 /nfs/dbraw/zinc/54/77/06/417547706.db2.gz WOQQPXBYOFPKRA-SNVBAGLBSA-N -1 0 306.365 0.316 10 0 DCAERM c1cc(N2CC(N=c3nc(C4CCOCC4)[n-]s3)C2)ncn1 ZINC000631530826 417896486 /nfs/dbraw/zinc/89/64/86/417896486.db2.gz XKTZGTMFQLDQPN-UHFFFAOYSA-N -1 0 318.406 0.945 10 0 DCAERM C[C@@H]1CCC[C@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])O1 ZINC000656723584 418373220 /nfs/dbraw/zinc/37/32/20/418373220.db2.gz LUPCMMGCFLLESZ-HTQZYQBOSA-N -1 0 303.340 0.344 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1cnc([C@@H]2CCCO2)s1 ZINC000357057582 271039788 /nfs/dbraw/zinc/03/97/88/271039788.db2.gz ZFUJEUGBYUAEOS-ZETCQYMHSA-N -1 0 306.351 0.927 10 0 DCAERM CC(=O)c1ccc2c(c1)CCN(C(=O)c1n[nH]c(=O)[n-]1)CC2 ZINC000533782874 287801063 /nfs/dbraw/zinc/80/10/63/287801063.db2.gz RZSBLTFGFUJIDQ-UHFFFAOYSA-N -1 0 300.318 0.954 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)Cc2ccon2)CO1 ZINC000408279339 281401748 /nfs/dbraw/zinc/40/17/48/281401748.db2.gz ZCJABHIYTMUZOT-UHFFFAOYSA-N -1 0 318.351 0.410 10 0 DCAERM CN1CC[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1=O ZINC000178049637 290125314 /nfs/dbraw/zinc/12/53/14/290125314.db2.gz TUHHLLVSBIQDFG-TZMCWYRMSA-N -1 0 316.357 0.893 10 0 DCAERM CN1N=C(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CCC1=O ZINC000261729967 290314924 /nfs/dbraw/zinc/31/49/24/290314924.db2.gz RCCXODONRLPAKD-JLLWLGSASA-N -1 0 307.350 0.839 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000262168580 294651630 /nfs/dbraw/zinc/65/16/30/294651630.db2.gz QENKYQYIEOLUFH-QWHCGFSZSA-N -1 0 316.317 0.581 10 0 DCAERM C[C@H]1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@H]1O ZINC000408090478 299961930 /nfs/dbraw/zinc/96/19/30/299961930.db2.gz CUYOBBCGZMUBLC-GXFFZTMASA-N -1 0 312.391 0.901 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@]2(CC)C(=O)[O-])c1 ZINC000215522312 332256571 /nfs/dbraw/zinc/25/65/71/332256571.db2.gz ZIFFIBUIIULJDK-GFCCVEGCSA-N -1 0 301.368 0.921 10 0 DCAERM C/C=C/C[C@H](NC(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-] ZINC000582464558 337093010 /nfs/dbraw/zinc/09/30/10/337093010.db2.gz XWXNKQPZDDGXSW-FQVTYBBZSA-N -1 0 300.355 0.901 10 0 DCAERM CC(C)[C@H](C(=O)[O-])[C@H](C)NC(=O)N1CCS(=O)(=O)CC1 ZINC000399369640 337315924 /nfs/dbraw/zinc/31/59/24/337315924.db2.gz KCUGBVVLUSWBAA-UWVGGRQHSA-N -1 0 306.384 0.172 10 0 DCAERM CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CF)C(=O)[O-] ZINC000263008061 519797293 /nfs/dbraw/zinc/79/72/93/519797293.db2.gz RVOYKSWFPYVXHA-GXTWGEPZSA-N -1 0 324.352 0.909 10 0 DCAERM CCc1ccc(C(=O)N[C@H](CF)C(=O)[O-])cc1S(C)(=O)=O ZINC000262992207 523893662 /nfs/dbraw/zinc/89/36/62/523893662.db2.gz QIDKDXWDFVSTCE-SNVBAGLBSA-N -1 0 317.338 0.805 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000194488931 526329162 /nfs/dbraw/zinc/32/91/62/526329162.db2.gz QTOUZNDVKULMBJ-WDEREUQCSA-N -1 0 301.306 0.645 10 0 DCAERM Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cc(=O)n(C)[n-]2)cn1 ZINC000888094858 661163034 /nfs/dbraw/zinc/16/30/34/661163034.db2.gz GEWTYZABKFOXJK-CMPLNLGQSA-N -1 0 305.338 0.589 10 0 DCAERM CNC(=O)c1cccc(CCC(=O)N[C@H](C(=O)[O-])C2CC2)c1 ZINC000262837896 658206757 /nfs/dbraw/zinc/20/67/57/658206757.db2.gz YZYGZGKWUIYKPX-AWEZNQCLSA-N -1 0 304.346 0.958 10 0 DCAERM C[C@@H](C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])S(C)(=O)=O ZINC000262086716 658426071 /nfs/dbraw/zinc/42/60/71/658426071.db2.gz FWHLKPNUIUNNLF-DTWKUNHWSA-N -1 0 309.384 0.194 10 0 DCAERM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000181900452 659086135 /nfs/dbraw/zinc/08/61/35/659086135.db2.gz RACMBWIZSAVQBR-QWRGUYRKSA-N -1 0 304.412 0.878 10 0 DCAERM N#Cc1cc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c[nH]1 ZINC000181664475 665645487 /nfs/dbraw/zinc/64/54/87/665645487.db2.gz LGSDNPQPQXLBKT-UHFFFAOYSA-N -1 0 316.342 0.924 10 0 DCAERM CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000193974062 659471655 /nfs/dbraw/zinc/47/16/55/659471655.db2.gz NRSGZTGTLZSUBY-IUCAKERBSA-N -1 0 323.315 0.427 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000070311358 665807704 /nfs/dbraw/zinc/80/77/04/665807704.db2.gz VLZWWLCZICVMQA-QWRGUYRKSA-N -1 0 320.411 0.560 10 0 DCAERM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000048506628 661917181 /nfs/dbraw/zinc/91/71/81/661917181.db2.gz FJDWVVUDNFRACU-UHFFFAOYSA-N -1 0 309.347 0.823 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)Cc2cn3ccccc3n2)C1 ZINC000263003824 662613547 /nfs/dbraw/zinc/61/35/47/662613547.db2.gz KZTWZHRJWKGJQP-CHWSQXEVSA-N -1 0 317.345 0.967 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@H]2COc3ccccc3O2)C1 ZINC000263195021 662652114 /nfs/dbraw/zinc/65/21/14/662652114.db2.gz YBCPTKPUPBFHBM-MISXGVKJSA-N -1 0 321.329 0.917 10 0 DCAERM C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[C@H](C)C(=O)[O-] ZINC000263436751 662688189 /nfs/dbraw/zinc/68/81/89/662688189.db2.gz LPZLHFRYXNIRIJ-DTWKUNHWSA-N -1 0 319.317 0.328 10 0 DCAERM CN(CC(=O)N(C)C1CCCCC1)C(=O)COCC(=O)[O-] ZINC000041073520 663062108 /nfs/dbraw/zinc/06/21/08/663062108.db2.gz PUELHBHOCOSMLE-UHFFFAOYSA-N -1 0 300.355 0.337 10 0 DCAERM C[C@H]1OCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000149301791 663665254 /nfs/dbraw/zinc/66/52/54/663665254.db2.gz AEXLXYUMSHVWED-XCBNKYQSSA-N -1 0 303.311 0.980 10 0 DCAERM COC(C)(C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000171698260 664611837 /nfs/dbraw/zinc/61/18/37/664611837.db2.gz IKHMCNCCHWKWLQ-UHFFFAOYSA-N -1 0 300.380 0.904 10 0 DCAERM Cc1nn(CC(C)C)c(C)c1CC(=O)NN1CC(=O)NC1=O ZINC000073002302 666539205 /nfs/dbraw/zinc/53/92/05/666539205.db2.gz IOKBLVNXBKINBH-UHFFFAOYSA-N -1 0 307.354 0.281 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000703760146 667139825 /nfs/dbraw/zinc/13/98/25/667139825.db2.gz AZTNJCQJJOCXSY-SECBINFHSA-N -1 0 319.301 0.834 10 0 DCAERM CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000448997274 667266145 /nfs/dbraw/zinc/26/61/45/667266145.db2.gz SUWJIGZLQKOVTO-FZMZJTMJSA-N -1 0 314.407 0.867 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CCC23CCOCC3)c[nH]1 ZINC000707480764 667440698 /nfs/dbraw/zinc/44/06/98/667440698.db2.gz BDEQYFQOGHQBPS-UHFFFAOYSA-N -1 0 300.336 0.657 10 0 DCAERM C[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)[C@H]1CCCO1 ZINC000035216463 667465995 /nfs/dbraw/zinc/46/59/95/667465995.db2.gz ORWVTINEIZCYRX-PRHODGIISA-N -1 0 315.347 0.936 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000717318389 667556733 /nfs/dbraw/zinc/55/67/33/667556733.db2.gz IZAJZIHXJNAWEZ-JTQLQIEISA-N -1 0 308.400 0.433 10 0 DCAERM CC1(C)CO[C@@H](CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000717328264 667625817 /nfs/dbraw/zinc/62/58/17/667625817.db2.gz RGXBNHOEIMUDSZ-ZJUUUORDSA-N -1 0 306.384 0.185 10 0 DCAERM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)C(F)F)C(=O)[O-] ZINC000127052594 668716512 /nfs/dbraw/zinc/71/65/12/668716512.db2.gz NMNJVWROYSUJMV-YFKPBYRVSA-N -1 0 303.283 0.313 10 0 DCAERM CCCC(=O)NCC(=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000157304915 669921904 /nfs/dbraw/zinc/92/19/04/669921904.db2.gz UQFOJTIQPVREDV-UHFFFAOYSA-N -1 0 318.317 0.691 10 0 DCAERM O=C([O-])CCCS(=O)(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000712696516 670150799 /nfs/dbraw/zinc/15/07/99/670150799.db2.gz WNLQZLSZQKNQAW-AAEUAGOBSA-N -1 0 305.396 0.976 10 0 DCAERM O=C([O-])[C@]12CN(S(=O)(=O)CCC3CC3)C[C@H]1COCC2 ZINC000715882758 670224888 /nfs/dbraw/zinc/22/48/88/670224888.db2.gz QUPDNMZLBXRSRS-WCQYABFASA-N -1 0 303.380 0.539 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccn(C)c1C ZINC000194870260 670460440 /nfs/dbraw/zinc/46/04/40/670460440.db2.gz VYSPITZPALGNAJ-UHFFFAOYSA-N -1 0 310.379 0.803 10 0 DCAERM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000111570786 671265734 /nfs/dbraw/zinc/26/57/34/671265734.db2.gz BHLCZROODRDBPR-NXEZZACHSA-N -1 0 314.345 0.649 10 0 DCAERM CC1(NS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC(F)(F)C1 ZINC000720985896 685317351 /nfs/dbraw/zinc/31/73/51/685317351.db2.gz NMHZRKKFJADDGK-QMMMGPOBSA-N -1 0 312.338 0.805 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000180106170 685151313 /nfs/dbraw/zinc/15/13/13/685151313.db2.gz XBLKSBCTGIOPNN-QWHCGFSZSA-N -1 0 322.386 0.897 10 0 DCAERM Cc1ccc(F)cc1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386463887 685249212 /nfs/dbraw/zinc/24/92/12/685249212.db2.gz NUCURUHQSFOCKX-LBPRGKRZSA-N -1 0 303.311 0.344 10 0 DCAERM CO[C@H](CNC(=O)CCNC(=O)c1cccs1)C(=O)[O-] ZINC000227279806 1158752940 /nfs/dbraw/zinc/75/29/40/1158752940.db2.gz HANRSSMURZBCIN-MRVPVSSYSA-N -1 0 300.336 0.084 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000261596504 1184452676 /nfs/dbraw/zinc/45/26/76/1184452676.db2.gz AHEFNMSEEGZBDV-JGVFFNPUSA-N -1 0 321.255 0.602 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000261692301 1184811955 /nfs/dbraw/zinc/81/19/55/1184811955.db2.gz NKKPFAGLSXQLNA-QWRGUYRKSA-N -1 0 307.302 0.772 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)c2ccc3c(c2)OCCO3)nn1 ZINC000261943363 1185159715 /nfs/dbraw/zinc/15/97/15/1185159715.db2.gz VBHAEYZEEXWAAU-UHFFFAOYSA-N -1 0 318.289 0.064 10 0 DCAERM COc1cccc(OCC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000262126855 1185162065 /nfs/dbraw/zinc/16/20/65/1185162065.db2.gz JRKMZPOBXYRVQF-QWHCGFSZSA-N -1 0 309.318 0.775 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnn3ccc(C)nc23)C1 ZINC000262154428 1185162517 /nfs/dbraw/zinc/16/25/17/1185162517.db2.gz OAMOMHFCYFCAKH-ONGXEEELSA-N -1 0 304.306 0.352 10 0 DCAERM CC[C@H](C)[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC000262546639 1185168773 /nfs/dbraw/zinc/16/87/73/1185168773.db2.gz SUOLOGXBKXQOON-JOYOIKCWSA-N -1 0 305.396 0.959 10 0 DCAERM CCCC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](OC)C(=O)[O-] ZINC000262939005 1185173893 /nfs/dbraw/zinc/17/38/93/1185173893.db2.gz ZHGBYEXBBGBMHL-MNOVXSKESA-N -1 0 300.355 0.383 10 0 DCAERM O=C([O-])[C@H]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000694079351 954772707 /nfs/dbraw/zinc/77/27/07/954772707.db2.gz JAOBIEHJVSHFNK-UWVGGRQHSA-N -1 0 304.368 0.070 10 0 DCAERM COCC(COC)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000688585282 976187313 /nfs/dbraw/zinc/18/73/13/976187313.db2.gz LJJBIAZCWDWWNY-GXSJLCMTSA-N -1 0 309.384 0.020 10 0 DCAERM CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000689235375 976246597 /nfs/dbraw/zinc/24/65/97/976246597.db2.gz YTWUSPOUAHHXTF-GZMMTYOYSA-N -1 0 302.352 0.494 10 0 DCAERM O=C([O-])C[C@H](CNS(=O)(=O)c1cccnc1F)C1CC1 ZINC000690514840 976313285 /nfs/dbraw/zinc/31/32/85/976313285.db2.gz LNZPVUFIVUVXEC-SECBINFHSA-N -1 0 302.327 1.000 10 0 DCAERM C/C(=C\CNC(=O)c1c(Br)nnn1C)C(=O)[O-] ZINC000692429944 976469974 /nfs/dbraw/zinc/46/99/74/976469974.db2.gz LXYBPVHIZORPKU-HWKANZROSA-N -1 0 303.116 0.338 10 0 DCAERM O=C(NC[C@H]1CCCCS1(=O)=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693428678 976631883 /nfs/dbraw/zinc/63/18/83/976631883.db2.gz LNIAEEPZDXESTQ-KXUCPTDWSA-N -1 0 304.368 0.116 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCC[C@@H](CCO)C2)c1 ZINC000694183676 976677637 /nfs/dbraw/zinc/67/76/37/976677637.db2.gz QRLZFFGGCNNFHA-VIFPVBQESA-N -1 0 303.336 0.761 10 0 DCAERM C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694209066 976680827 /nfs/dbraw/zinc/68/08/27/976680827.db2.gz LQUQUXGLWYOWQA-MDTSDYNXSA-N -1 0 309.365 0.365 10 0 DCAERM CCOC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211940 976683858 /nfs/dbraw/zinc/68/38/58/976683858.db2.gz NEYQPHPMCIZWSS-UHFFFAOYSA-N -1 0 305.308 0.552 10 0 DCAERM O=C([O-])c1ccc(C(=O)NC[C@H]2CCCCS2(=O)=O)o1 ZINC000694513655 976696487 /nfs/dbraw/zinc/69/64/87/976696487.db2.gz ANLIMIFIUAZMSO-MRVPVSSYSA-N -1 0 301.320 0.675 10 0 DCAERM O=C([O-])C1=CC[C@H](NC(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000694956335 976755064 /nfs/dbraw/zinc/75/50/64/976755064.db2.gz VFWDJSSMOVOTQD-VHSXEESVSA-N -1 0 302.352 0.036 10 0 DCAERM COC[C@H]1CCCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000696626601 976820389 /nfs/dbraw/zinc/82/03/89/976820389.db2.gz YAKSAWMCQJORBR-NSHDSACASA-N -1 0 308.400 0.386 10 0 DCAERM O=C([O-])C[C@H](O)CNC(=O)c1ncsc1Br ZINC000698625814 976897098 /nfs/dbraw/zinc/89/70/98/976897098.db2.gz RJJGQHKEGWOWNV-BYPYZUCNSA-N -1 0 309.141 0.471 10 0 DCAERM O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC000328629270 231264100 /nfs/dbraw/zinc/26/41/00/231264100.db2.gz IBUWUMCXVNJQJQ-MRVPVSSYSA-N -1 0 319.325 0.123 10 0 DCAERM COc1cc2c(cc1OC)n(CC(=O)[O-])c(=O)n(C1CC1)c2=O ZINC000073658662 191338442 /nfs/dbraw/zinc/33/84/42/191338442.db2.gz NVWUXCSCWONRFK-UHFFFAOYSA-N -1 0 320.301 0.600 10 0 DCAERM CCCN(CC(=O)[O-])C(=O)[C@@H](CC(C)C)NS(C)(=O)=O ZINC000038020516 283108187 /nfs/dbraw/zinc/10/81/87/283108187.db2.gz GUKBYGCCYYDMRJ-SNVBAGLBSA-N -1 0 308.400 0.274 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000164838580 291247577 /nfs/dbraw/zinc/24/75/77/291247577.db2.gz BHAYEHUFVXCMOC-JOYOIKCWSA-N -1 0 301.368 0.825 10 0 DCAERM C[C@](O)(CNC(=O)c1ccc(F)cc1[O-])CN1CCOCC1 ZINC000124013286 291344365 /nfs/dbraw/zinc/34/43/65/291344365.db2.gz ZREMFMRUOCCBLA-HNNXBMFYSA-N -1 0 312.341 0.344 10 0 DCAERM COCCNS(=O)(=O)c1cc(/C=C/C(=O)[O-])ccc1OC ZINC000008030105 181520261 /nfs/dbraw/zinc/52/02/61/181520261.db2.gz UQKBKOGFUWZGBS-GQCTYLIASA-N -1 0 315.347 0.718 10 0 DCAERM O=C([O-])[C@@H]1CCCN(C(=O)CS(=O)(=O)c2ccccc2)C1 ZINC000020200483 182197046 /nfs/dbraw/zinc/19/70/46/182197046.db2.gz PFUCLDJRBDXWRE-LLVKDONJSA-N -1 0 311.359 0.784 10 0 DCAERM C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)C(=O)[O-] ZINC000022159887 182311108 /nfs/dbraw/zinc/31/11/08/182311108.db2.gz AQBLOJALAAAVQB-QMMMGPOBSA-N -1 0 315.351 0.002 10 0 DCAERM CSCC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000036870652 182850467 /nfs/dbraw/zinc/85/04/67/182850467.db2.gz MCFIUWUOUIQIOR-DTWKUNHWSA-N -1 0 309.409 0.134 10 0 DCAERM CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000043700389 183382166 /nfs/dbraw/zinc/38/21/66/183382166.db2.gz LQNLVOIAUMOCKU-LLVKDONJSA-N -1 0 313.331 0.016 10 0 DCAERM O=C([O-])[C@H]1c2ccsc2CCN1S(=O)(=O)c1c[nH]cn1 ZINC000070415660 304213142 /nfs/dbraw/zinc/21/31/42/304213142.db2.gz OESCKRFPRLCRJE-SNVBAGLBSA-N -1 0 313.360 0.844 10 0 DCAERM COC(=O)CCS(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564272 184174533 /nfs/dbraw/zinc/17/45/33/184174533.db2.gz CFWSVGDGQYLWRD-UHFFFAOYSA-N -1 0 323.273 0.968 10 0 DCAERM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000061844948 184189644 /nfs/dbraw/zinc/18/96/44/184189644.db2.gz ZGSLJGBWRHFBSS-UHFFFAOYSA-N -1 0 300.296 0.602 10 0 DCAERM CC(C)CN(CC(=O)[O-])C(=O)c1cnc2n(c1=O)CCS2 ZINC000062742272 184251995 /nfs/dbraw/zinc/25/19/95/184251995.db2.gz NZBPHGPUGNUBKP-UHFFFAOYSA-N -1 0 311.363 0.532 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000347415027 254155256 /nfs/dbraw/zinc/15/52/56/254155256.db2.gz GKECVNPIFROFAV-UHFFFAOYSA-N -1 0 311.319 0.087 10 0 DCAERM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@]1(C)CCCO1 ZINC000262261290 220465828 /nfs/dbraw/zinc/46/58/28/220465828.db2.gz WUMHMQJHLWNYDO-NHYWBVRUSA-N -1 0 312.366 0.337 10 0 DCAERM O=C([O-])[C@@H]1O[C@@H](Oc2cccc3ccccc32)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000022064334 395691755 /nfs/dbraw/zinc/69/17/55/395691755.db2.gz KEQWBZWOGRCILF-GRYWWWGRSA-N -1 0 320.297 0.111 10 0 DCAERM CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000032917542 395714657 /nfs/dbraw/zinc/71/46/57/395714657.db2.gz LVNUZZZFENCARK-UHFFFAOYSA-N -1 0 316.360 0.436 10 0 DCAERM O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000032917543 395714866 /nfs/dbraw/zinc/71/48/66/395714866.db2.gz XQOZGHYUYFFXDI-UHFFFAOYSA-N -1 0 316.360 0.484 10 0 DCAERM O=C([O-])c1csc(CNS(=O)(=O)C[C@H]2CCCO2)n1 ZINC000090932906 395719984 /nfs/dbraw/zinc/71/99/84/395719984.db2.gz MEZCBEPTLRVVON-SSDOTTSWSA-N -1 0 306.365 0.440 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)CCc2ccccc2)C1 ZINC000037463399 395727453 /nfs/dbraw/zinc/72/74/53/395727453.db2.gz GCVCAYVAWGOCAD-CHWSQXEVSA-N -1 0 313.375 0.733 10 0 DCAERM Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O ZINC000037462128 395727621 /nfs/dbraw/zinc/72/76/21/395727621.db2.gz XHNKNIDUMSZZRH-GMSGAONNSA-N -1 0 307.755 0.761 10 0 DCAERM Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1F ZINC000040396308 395733740 /nfs/dbraw/zinc/73/37/40/395733740.db2.gz ZKSXWOSUUUKQFU-KWQFWETISA-N -1 0 303.311 0.343 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000195358500 395825653 /nfs/dbraw/zinc/82/56/53/395825653.db2.gz XQKGWOQAVVSVLW-BDAKNGLRSA-N -1 0 318.317 0.263 10 0 DCAERM O=C([O-])[C@H]1CSCCN1CN1C(=O)c2ccccc2C1=O ZINC000215302648 395836851 /nfs/dbraw/zinc/83/68/51/395836851.db2.gz JSPIQGQXOBGRFM-LLVKDONJSA-N -1 0 306.343 0.742 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)c2cccs2)C(=O)[O-])cn1 ZINC000126488395 395913571 /nfs/dbraw/zinc/91/35/71/395913571.db2.gz PPMXVELSJAGAMM-SECBINFHSA-N -1 0 301.349 0.586 10 0 DCAERM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000227866459 395869636 /nfs/dbraw/zinc/86/96/36/395869636.db2.gz IKPJUDUVPYNFBK-ZETCQYMHSA-N -1 0 309.775 0.947 10 0 DCAERM COCC[C@@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000052785870 395869663 /nfs/dbraw/zinc/86/96/63/395869663.db2.gz VQLKTKSEONPGNI-SECBINFHSA-N -1 0 309.290 0.733 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000227865853 395869791 /nfs/dbraw/zinc/86/97/91/395869791.db2.gz UMLDCPMPZFVVRV-KCJUWKMLSA-N -1 0 321.786 0.995 10 0 DCAERM CC[C@H](CNS(=O)(=O)c1c(Cl)cnn1C)CC(=O)[O-] ZINC000227865740 395869859 /nfs/dbraw/zinc/86/98/59/395869859.db2.gz HHPFYCCUVQNKOV-ZETCQYMHSA-N -1 0 309.775 0.853 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCC[C@H](O)C1 ZINC000134680060 395933675 /nfs/dbraw/zinc/93/36/75/395933675.db2.gz HEQCNROTFWEOEJ-YUMQZZPRSA-N -1 0 320.392 0.512 10 0 DCAERM CN(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000137070695 395949939 /nfs/dbraw/zinc/94/99/39/395949939.db2.gz IFQBMHKYAXOGAQ-VHSXEESVSA-N -1 0 320.411 0.704 10 0 DCAERM CC[C@](C)(CO)Nc1nc[n-]c(=O)c1I ZINC000163956269 396086825 /nfs/dbraw/zinc/08/68/25/396086825.db2.gz UOHIXUCCWJDHSZ-SECBINFHSA-N -1 0 323.134 0.947 10 0 DCAERM COCCN(CCOC)C(=O)NCC1(CC(=O)[O-])CCC1 ZINC000165054723 396087706 /nfs/dbraw/zinc/08/77/06/396087706.db2.gz QIJVYTULEHKJHB-UHFFFAOYSA-N -1 0 302.371 0.936 10 0 DCAERM C[C@@H](CC(N)=O)Nc1nc[n-]c(=O)c1I ZINC000165357379 396088599 /nfs/dbraw/zinc/08/85/99/396088599.db2.gz CYFVIYRLUYXOBP-BYPYZUCNSA-N -1 0 322.106 0.050 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070556203 396102953 /nfs/dbraw/zinc/10/29/53/396102953.db2.gz BIWAVVGYAKIKPO-UWVGGRQHSA-N -1 0 307.368 0.502 10 0 DCAERM C[C@@H](NC(=O)c1ccco1)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000262299460 396119754 /nfs/dbraw/zinc/11/97/54/396119754.db2.gz OIRCTUJXBJTBQA-ZJUUUORDSA-N -1 0 310.306 0.100 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(OC)ccc2O)C1 ZINC000262687500 396172613 /nfs/dbraw/zinc/17/26/13/396172613.db2.gz BAZGHCOPMWDXEG-HNNXBMFYSA-N -1 0 309.318 0.964 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000262975411 396195319 /nfs/dbraw/zinc/19/53/19/396195319.db2.gz JBVDFKXMPHINRW-WDEREUQCSA-N -1 0 314.382 0.629 10 0 DCAERM C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000263169021 396204130 /nfs/dbraw/zinc/20/41/30/396204130.db2.gz JDUAVGZDLBHOIN-JGVFFNPUSA-N -1 0 321.786 0.805 10 0 DCAERM CC(C)C[C@@H](CO)N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000186637174 396354292 /nfs/dbraw/zinc/35/42/92/396354292.db2.gz QAFMIMKLIOPZQA-JTQLQIEISA-N -1 0 320.349 0.090 10 0 DCAERM CSCCN(CC(=O)[O-])S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000594670997 396496125 /nfs/dbraw/zinc/49/61/25/396496125.db2.gz QUPCEJJIEGHJTQ-SNVBAGLBSA-N -1 0 310.441 0.713 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CO)C1CCC1 ZINC000594802165 396518336 /nfs/dbraw/zinc/51/83/36/396518336.db2.gz VODBEFIDMQLGGS-MRVPVSSYSA-N -1 0 320.392 0.369 10 0 DCAERM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000299245604 396712470 /nfs/dbraw/zinc/71/24/70/396712470.db2.gz KZEKIMKHNGRIQV-LLVKDONJSA-N -1 0 312.391 0.963 10 0 DCAERM O=C([O-])C[C@@H](CCNS(=O)(=O)c1c[nH]cn1)C(F)(F)F ZINC000312347928 396764880 /nfs/dbraw/zinc/76/48/80/396764880.db2.gz HOPRNRPJHVJVLJ-ZCFIWIBFSA-N -1 0 315.273 0.731 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CC(C)(C)[C@H]1C(=O)[O-] ZINC000630426838 397018319 /nfs/dbraw/zinc/01/83/19/397018319.db2.gz PCLYXTMZKSAJNV-SSDOTTSWSA-N -1 0 307.759 0.557 10 0 DCAERM CCn1ncc(Cl)c1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000630261358 396973473 /nfs/dbraw/zinc/97/34/73/396973473.db2.gz LPSXXAXLMXBKDJ-APPZFPTMSA-N -1 0 301.730 0.871 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCOCC2)N1Cc1ccccc1 ZINC000630648542 397069769 /nfs/dbraw/zinc/06/97/69/397069769.db2.gz FNCPQMLITCBFGM-LSDHHAIUSA-N -1 0 318.373 0.963 10 0 DCAERM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCN=C3C2=NNN3C)c1 ZINC000613283698 397236268 /nfs/dbraw/zinc/23/62/68/397236268.db2.gz CBVPSKDTVXFMGU-JTQLQIEISA-N -1 0 315.333 0.758 10 0 DCAERM C[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@H](C)O1 ZINC000384926650 397282725 /nfs/dbraw/zinc/28/27/25/397282725.db2.gz PUNWQUQKDFMUBX-WCABBAIRSA-N -1 0 306.384 0.183 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)C(F)F ZINC000389704095 397297174 /nfs/dbraw/zinc/29/71/74/397297174.db2.gz WEANFCNBUVIZHA-BYPYZUCNSA-N -1 0 300.308 0.862 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CSC[C@@H]2C)C1 ZINC000397820455 397313158 /nfs/dbraw/zinc/31/31/58/397313158.db2.gz UGGGHXCUCXNUFC-CWSCBRNRSA-N -1 0 302.396 0.871 10 0 DCAERM C/C=C/C[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000578955517 397505135 /nfs/dbraw/zinc/50/51/35/397505135.db2.gz BXRJMOUSDGWEFK-FSIBCCDJSA-N -1 0 318.395 0.530 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)[C@@H](O)Cc1ccccc1Cl ZINC000579060626 397518942 /nfs/dbraw/zinc/51/89/42/397518942.db2.gz SJVMQIFFWJVOLU-JTQLQIEISA-N -1 0 307.741 0.562 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000037377044 157987976 /nfs/dbraw/zinc/98/79/76/157987976.db2.gz BBSYABLVMPSQQS-GHMZBOCLSA-N -1 0 317.338 0.997 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCN(C(=O)N(CCOC)CCOC)C1 ZINC000062926238 158029322 /nfs/dbraw/zinc/02/93/22/158029322.db2.gz DHHSOIVDFZWFEK-CQSZACIVSA-N -1 0 302.371 0.888 10 0 DCAERM C[C@@H]1CCC[C@@](NS(=O)(=O)c2ccnn2C)(C(=O)[O-])C1 ZINC000124126985 158238793 /nfs/dbraw/zinc/23/87/93/158238793.db2.gz KQQDIBZMLFHOTM-SKDRFNHKSA-N -1 0 301.368 0.732 10 0 DCAERM COC(=O)CCCS(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000124656287 158245066 /nfs/dbraw/zinc/24/50/66/158245066.db2.gz QDHNULLFELIVRY-UHFFFAOYSA-N -1 0 317.319 0.785 10 0 DCAERM C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1nnc2n1CCCC2 ZINC000192950023 158579447 /nfs/dbraw/zinc/57/94/47/158579447.db2.gz HMYWSJHQMARWJZ-SSDOTTSWSA-N -1 0 312.317 0.985 10 0 DCAERM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000263349123 158874048 /nfs/dbraw/zinc/87/40/48/158874048.db2.gz PGIJYMRRMWFKBB-QWRGUYRKSA-N -1 0 305.334 0.381 10 0 DCAERM Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)o1 ZINC000407991233 160005083 /nfs/dbraw/zinc/00/50/83/160005083.db2.gz UCKBIEXGCJCPKH-SECBINFHSA-N -1 0 312.351 0.980 10 0 DCAERM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000408221659 160063000 /nfs/dbraw/zinc/06/30/00/160063000.db2.gz JWFJAGASHYASOM-HWPZZCPQSA-N -1 0 323.393 0.793 10 0 DCAERM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)O1 ZINC000408300272 160080089 /nfs/dbraw/zinc/08/00/89/160080089.db2.gz XFQSFQXEAPYLTO-GZMMTYOYSA-N -1 0 313.331 0.788 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000408383413 160096718 /nfs/dbraw/zinc/09/67/18/160096718.db2.gz HJQOXAUMLUWNCW-KOLCDFICSA-N -1 0 324.358 0.347 10 0 DCAERM CC[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)C1COC1 ZINC000408475161 160116147 /nfs/dbraw/zinc/11/61/47/160116147.db2.gz CAXKTECXMSZXAS-CMPLNLGQSA-N -1 0 305.396 0.817 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)CCCO1 ZINC000408484181 160118509 /nfs/dbraw/zinc/11/85/09/160118509.db2.gz DGZSOVJQYAELNQ-LBPRGKRZSA-N -1 0 310.335 0.332 10 0 DCAERM Cn1cc([C@H]2OCC[C@@H]2C(=O)[N-]S(=O)(=O)C2CCC2)cn1 ZINC000408485967 160118530 /nfs/dbraw/zinc/11/85/30/160118530.db2.gz RAQASYROQNZKLX-NWDGAFQWSA-N -1 0 313.379 0.496 10 0 DCAERM CO[C@@]1(C(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)CCOC1 ZINC000408492274 160119196 /nfs/dbraw/zinc/11/91/96/160119196.db2.gz JODBZLJAEHMFND-YZVRNYIASA-N -1 0 317.407 0.817 10 0 DCAERM Cn1cnc(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)c1 ZINC000090933013 286935547 /nfs/dbraw/zinc/93/55/47/286935547.db2.gz MSDSRCBMEIUDCD-UHFFFAOYSA-N -1 0 302.337 0.053 10 0 DCAERM CO[C@H](CNS(=O)(=O)CCCC(F)(F)F)CC(=O)[O-] ZINC000232108041 287064473 /nfs/dbraw/zinc/06/44/73/287064473.db2.gz IPNPKWDJJFPQMG-ZETCQYMHSA-N -1 0 307.290 0.738 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)C1 ZINC000092436433 415537832 /nfs/dbraw/zinc/53/78/32/415537832.db2.gz HXXVKPQVMWYOHN-QMMMGPOBSA-N -1 0 318.317 0.912 10 0 DCAERM CC(C)(CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000357168791 416041359 /nfs/dbraw/zinc/04/13/59/416041359.db2.gz NGKVGTUXMKAEKS-NSHDSACASA-N -1 0 312.366 0.383 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccccc1N1CCOCC1 ZINC000357046225 416025118 /nfs/dbraw/zinc/02/51/18/416025118.db2.gz CUYMSTWKMPTBPQ-UHFFFAOYSA-N -1 0 314.349 0.455 10 0 DCAERM COc1ccc2c(c1)C[C@H](C(=O)NC1(c3nnn[n-]3)CC1)CO2 ZINC000357061997 416026529 /nfs/dbraw/zinc/02/65/29/416026529.db2.gz WUKHMUIYYLJNHJ-JTQLQIEISA-N -1 0 315.333 0.565 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)n1 ZINC000179645688 416190231 /nfs/dbraw/zinc/19/02/31/416190231.db2.gz XJUHZNZDRGHEAN-UHFFFAOYSA-N -1 0 323.378 0.997 10 0 DCAERM O=c1nc(CN2CCO[C@@]3(CCOC3)C2)[n-]c2ccsc21 ZINC000185133399 416252483 /nfs/dbraw/zinc/25/24/83/416252483.db2.gz AYTGHOQKDAAFDT-AWEZNQCLSA-N -1 0 307.375 0.976 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408477477 287332752 /nfs/dbraw/zinc/33/27/52/287332752.db2.gz ASBGXFXJGHQAFL-SRVKXCTJSA-N -1 0 305.396 0.817 10 0 DCAERM CNc1ncc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)s1 ZINC000362688352 416570624 /nfs/dbraw/zinc/57/06/24/416570624.db2.gz LWOQYAOELAUQEB-UHFFFAOYSA-N -1 0 323.378 1.084 10 0 DCAERM CCCc1nc(=NC(=O)C(C)(C)NS(C)(=O)=O)s[n-]1 ZINC000439567712 416617560 /nfs/dbraw/zinc/61/75/60/416617560.db2.gz WXHLRUQVGKDMML-UHFFFAOYSA-N -1 0 306.413 0.179 10 0 DCAERM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000526944569 417191571 /nfs/dbraw/zinc/19/15/71/417191571.db2.gz VIKFPCXZVCMJCE-OPRDCNLKSA-N -1 0 307.368 0.168 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408475108 417163214 /nfs/dbraw/zinc/16/32/14/417163214.db2.gz BOODDAPGWVZAQQ-VIFPVBQESA-N -1 0 316.383 0.245 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000530148934 417544230 /nfs/dbraw/zinc/54/42/30/417544230.db2.gz DPEXGZVGGBGZEF-PWSUYJOCSA-N -1 0 306.384 0.281 10 0 DCAERM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000530152230 417545519 /nfs/dbraw/zinc/54/55/19/417545519.db2.gz IGQQSGBJCWSTBI-JVZYCSMKSA-N -1 0 303.340 0.198 10 0 DCAERM O=C1CC[C@H](N=c2[n-]c(C3CCC3)no2)[C@@H]([C@@H]2CCCO2)N1 ZINC000576226286 417591493 /nfs/dbraw/zinc/59/14/93/417591493.db2.gz OYZOIYYOJRBDLC-GVXVVHGQSA-N -1 0 306.366 0.997 10 0 DCAERM O=C([O-])C1(CNC(=O)N[C@H]2CCCC[C@@H]2O)CCOCC1 ZINC000166152622 545878159 /nfs/dbraw/zinc/87/81/59/545878159.db2.gz NKKISCYHWPIEEP-QWRGUYRKSA-N -1 0 300.355 0.471 10 0 DCAERM CC(=O)NCCN(C(=O)c1ccc(C)nc1C)[C@@H](C)C(=O)[O-] ZINC000263165065 278107954 /nfs/dbraw/zinc/10/79/54/278107954.db2.gz PGLPNJGFICDMQC-NSHDSACASA-N -1 0 307.350 0.750 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000263319206 281932086 /nfs/dbraw/zinc/93/20/86/281932086.db2.gz QVVGKSKGHAXCPX-NXEZZACHSA-N -1 0 316.379 0.000 10 0 DCAERM Cn1cc([C@@H]([N-]S(=O)(=O)[C@@H]2CCOC2)C(F)(F)F)cn1 ZINC000562614197 288586991 /nfs/dbraw/zinc/58/69/91/288586991.db2.gz PRRZERADTYTCOL-RKDXNWHRSA-N -1 0 313.301 0.732 10 0 DCAERM CO[C@@H](C)c1nc(=N[C@H]2CCCN(S(C)(=O)=O)C2)s[n-]1 ZINC000400228253 293477173 /nfs/dbraw/zinc/47/71/73/293477173.db2.gz LDQSYKMXCZSBPA-IUCAKERBSA-N -1 0 320.440 0.503 10 0 DCAERM C[C@H]1OCCN(S(=O)(=O)c2ccccc2F)[C@@H]1C(=O)[O-] ZINC000278731425 300602791 /nfs/dbraw/zinc/60/27/91/300602791.db2.gz POYJRAPPKVJLOD-KCJUWKMLSA-N -1 0 303.311 0.688 10 0 DCAERM NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000261805573 303347368 /nfs/dbraw/zinc/34/73/68/303347368.db2.gz GDZAKDWJUCWHEQ-LLVKDONJSA-N -1 0 312.347 0.413 10 0 DCAERM CO[C@]1(C)C[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1(C)C ZINC000267656238 521752991 /nfs/dbraw/zinc/75/29/91/521752991.db2.gz XEXMUZZGOILRIZ-MEBBXXQBSA-N -1 0 309.366 0.762 10 0 DCAERM O=C([O-])CCCOc1ccc(S(=O)(=O)NCCO)cc1 ZINC000057340302 527589051 /nfs/dbraw/zinc/58/90/51/527589051.db2.gz JEDZGCBQNNJBEL-UHFFFAOYSA-N -1 0 303.336 0.201 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000134721884 545802367 /nfs/dbraw/zinc/80/23/67/545802367.db2.gz GBYNQBWPHDVZKO-KNVOCYPGSA-N -1 0 304.349 0.393 10 0 DCAERM C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000149338759 545811077 /nfs/dbraw/zinc/81/10/77/545811077.db2.gz BUARDEJOPAZOKM-OIBJUYFYSA-N -1 0 303.311 0.980 10 0 DCAERM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCO[C@H]1C ZINC000149356914 545811444 /nfs/dbraw/zinc/81/14/44/545811444.db2.gz MQNVHJJPDPNNLG-WCBMZHEXSA-N -1 0 315.347 0.849 10 0 DCAERM O=C(NCCCc1nc(=O)[n-][nH]1)c1coc(Br)c1 ZINC000176260141 545887947 /nfs/dbraw/zinc/88/79/47/545887947.db2.gz UYPAWQMJJONQAB-UHFFFAOYSA-N -1 0 315.127 0.816 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)C1 ZINC000224867235 545942492 /nfs/dbraw/zinc/94/24/92/545942492.db2.gz GCPJDTYACUYMSI-TUAOUCFPSA-N -1 0 320.411 0.169 10 0 DCAERM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CO[C@@]12CCS(=O)(=O)C2 ZINC000669380803 546964414 /nfs/dbraw/zinc/96/44/14/546964414.db2.gz PYMNEQSHCFDVDH-QPUJVOFHSA-N -1 0 321.351 0.222 10 0 DCAERM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N=S1(=O)CCOCC1 ZINC000725261143 548749234 /nfs/dbraw/zinc/74/92/34/548749234.db2.gz PKUAQCJIADNZMR-UHFFFAOYSA-N -1 0 323.348 0.473 10 0 DCAERM [NH3+][C@H](CC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000034046036 571749903 /nfs/dbraw/zinc/74/99/03/571749903.db2.gz ZARXTZFGQZBYFO-PWSUYJOCSA-N -1 0 319.317 0.082 10 0 endogenous,in-man DCAERM CC[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000040543566 658798812 /nfs/dbraw/zinc/79/88/12/658798812.db2.gz CUAXVRDSLOGWKS-VIFPVBQESA-N -1 0 301.324 0.319 10 0 DCAERM CCCCN(C)S(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC000312533265 659347651 /nfs/dbraw/zinc/34/76/51/659347651.db2.gz HNVSUXPTSBSIGB-UHFFFAOYSA-N -1 0 308.400 0.529 10 0 DCAERM Cn1cc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])ccc1=O ZINC000262090032 662054037 /nfs/dbraw/zinc/05/40/37/662054037.db2.gz CMLSRPOVJLEMIW-NSHDSACASA-N -1 0 310.350 0.774 10 0 DCAERM Cc1cc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)nn1C ZINC000262152623 662118477 /nfs/dbraw/zinc/11/84/77/662118477.db2.gz JQPBHROHKJXHHZ-NSHDSACASA-N -1 0 322.365 0.124 10 0 DCAERM CCC[C@@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-] ZINC000262292116 662310163 /nfs/dbraw/zinc/31/01/63/662310163.db2.gz NUIWEMRTHRWTTM-MRVPVSSYSA-N -1 0 306.326 0.159 10 0 DCAERM CCC(CC)(CNC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O)C(=O)[O-] ZINC000263012869 662615457 /nfs/dbraw/zinc/61/54/57/662615457.db2.gz CIOGDTRYJAJBDI-UWVGGRQHSA-N -1 0 315.370 0.162 10 0 DCAERM O=C([O-])c1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000263510991 662704075 /nfs/dbraw/zinc/70/40/75/662704075.db2.gz YTSSOFVLZIUXBL-UHFFFAOYSA-N -1 0 317.345 0.805 10 0 DCAERM C[C@H]1CCCCN1S(=O)(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721253085 662852297 /nfs/dbraw/zinc/85/22/97/662852297.db2.gz DEXVCWHDFKYRSI-YFKTTZPYSA-N -1 0 302.396 0.758 10 0 DCAERM CC(C)NC(=O)[C@H]1CCCN(C(=O)c2nccnc2C(=O)[O-])C1 ZINC000223194370 664403770 /nfs/dbraw/zinc/40/37/70/664403770.db2.gz YJDRYKWIMOSISD-JTQLQIEISA-N -1 0 320.349 0.552 10 0 DCAERM CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000170306211 664577040 /nfs/dbraw/zinc/57/70/40/664577040.db2.gz YJCSFMPXNUXSII-NWDGAFQWSA-N -1 0 301.364 0.893 10 0 DCAERM CN(C)c1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cn1 ZINC000730520931 664784886 /nfs/dbraw/zinc/78/48/86/664784886.db2.gz LYUSHUCCZDSLRH-UHFFFAOYSA-N -1 0 313.321 0.171 10 0 DCAERM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccnn1C ZINC000183645904 666087665 /nfs/dbraw/zinc/08/76/65/666087665.db2.gz FCSDGORHNWXCJI-VIFPVBQESA-N -1 0 306.288 0.739 10 0 DCAERM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000711645918 667521574 /nfs/dbraw/zinc/52/15/74/667521574.db2.gz HDXRMWLRGLYJQS-BREBYQMCSA-N -1 0 301.364 0.277 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)O1 ZINC000123727305 667842725 /nfs/dbraw/zinc/84/27/25/667842725.db2.gz IAQJWZMGLMUZTG-RNFRBKRXSA-N -1 0 307.759 0.446 10 0 DCAERM C[C@H](CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000128912577 669315572 /nfs/dbraw/zinc/31/55/72/669315572.db2.gz GEXBYHSLACOHAD-MRVPVSSYSA-N -1 0 312.347 0.570 10 0 DCAERM CO[C@@H](C(=O)[O-])C(=O)NCc1ncc(Br)s1 ZINC000714936010 670196839 /nfs/dbraw/zinc/19/68/39/670196839.db2.gz DTRITBSZNSDNAI-ZCFIWIBFSA-N -1 0 309.141 0.621 10 0 DCAERM CO[C@]1(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)CCSC1 ZINC000719223248 685309397 /nfs/dbraw/zinc/30/93/97/685309397.db2.gz YVRROHULNQIHLR-NWDGAFQWSA-N -1 0 304.368 0.051 10 0 DCAERM CO[C@]1(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)CCSC1 ZINC000719223252 685309402 /nfs/dbraw/zinc/30/94/02/685309402.db2.gz YVRROHULNQIHLR-RYUDHWBXSA-N -1 0 304.368 0.051 10 0 DCAERM O=C([O-])[C@@H]1CCCC[C@@H]1CNS(=O)(=O)N1CCOCC1 ZINC000089381660 685096743 /nfs/dbraw/zinc/09/67/43/685096743.db2.gz RBNIIYUQOZPJGI-GHMZBOCLSA-N -1 0 306.384 0.044 10 0 DCAERM CN(CCCCO)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000385022572 1158220427 /nfs/dbraw/zinc/22/04/27/1158220427.db2.gz WWNJBZOJSGDLJH-UHFFFAOYSA-N -1 0 304.324 0.693 10 0 DCAERM CCc1oc(C(=O)N2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC000261693975 1184816245 /nfs/dbraw/zinc/81/62/45/1184816245.db2.gz SCDWKYNIYLTBEB-UHFFFAOYSA-N -1 0 301.320 0.411 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCOC[C@@H]2CCCO2)C1 ZINC000262075899 1185160418 /nfs/dbraw/zinc/16/04/18/1185160418.db2.gz ACOANLAZVPDALC-QJPTWQEYSA-N -1 0 301.339 0.273 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000262554229 1185169552 /nfs/dbraw/zinc/16/95/52/1185169552.db2.gz SZYRVPRWEOIFBJ-GXSJLCMTSA-N -1 0 320.301 0.332 10 0 DCAERM O=C([O-])c1cccc(N2CCC([C@@H](O)C(=O)NC3CC3)CC2)n1 ZINC000263429278 1185178477 /nfs/dbraw/zinc/17/84/77/1185178477.db2.gz SEDLEFRLYMIMCT-CQSZACIVSA-N -1 0 319.361 0.636 10 0 DCAERM Cc1noc([C@H]2COCCN2C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000263544347 1185179687 /nfs/dbraw/zinc/17/96/87/1185179687.db2.gz FYTDMEVZNUMBBZ-KXUCPTDWSA-N -1 0 309.322 0.635 10 0 DCAERM CC[C@@H](C)C[C@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000400467907 772735345 /nfs/dbraw/zinc/73/53/45/772735345.db2.gz VQXBXALAGYVTSK-ZJUUUORDSA-N -1 0 309.384 0.748 10 0 DCAERM CO[C@@H](C(=O)[O-])C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000713259506 941007417 /nfs/dbraw/zinc/00/74/17/941007417.db2.gz LDCLWJDPYWNBIF-UONOGXRCSA-N -1 0 322.361 0.103 10 0 DCAERM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000696842038 954821468 /nfs/dbraw/zinc/82/14/68/954821468.db2.gz PORGVHYARSNJNE-SDDRHHMPSA-N -1 0 305.396 0.375 10 0 DCAERM C[C@@H]1C[C@@H](CNS(=O)(=O)c2scnc2C(=O)[O-])[C@@H](C)O1 ZINC000686350716 976108205 /nfs/dbraw/zinc/10/82/05/976108205.db2.gz XUMHKSLQVAJQTG-PRJMDXOYSA-N -1 0 320.392 0.933 10 0 DCAERM C[C@@H]1C[C@H](CNS(=O)(=O)c2scnc2C(=O)[O-])[C@H](C)O1 ZINC000686350715 976108289 /nfs/dbraw/zinc/10/82/89/976108289.db2.gz XUMHKSLQVAJQTG-GJMOJQLCSA-N -1 0 320.392 0.933 10 0 DCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1COC2(CCC2)C1 ZINC000688300674 976175237 /nfs/dbraw/zinc/17/52/37/976175237.db2.gz HUAPDROTLRZAFD-SSDOTTSWSA-N -1 0 301.324 0.098 10 0 DCAERM COCC(COC)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000688585814 976187034 /nfs/dbraw/zinc/18/70/34/976187034.db2.gz NPCKQASHENTDCQ-LBPRGKRZSA-N -1 0 309.384 0.164 10 0 DCAERM CN(CCOC(C)(C)C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000689972852 976270964 /nfs/dbraw/zinc/27/09/64/976270964.db2.gz MQOUQXFBFOGSOD-UHFFFAOYSA-N -1 0 306.340 0.808 10 0 DCAERM C[S@](=O)C1(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC000694174652 976676514 /nfs/dbraw/zinc/67/65/14/976676514.db2.gz OWNVIGFSYKTXQH-IBGZPJMESA-N -1 0 321.376 0.557 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1CCS(=O)(=O)C1CCCCC1 ZINC000699997945 976931443 /nfs/dbraw/zinc/93/14/43/976931443.db2.gz KMCWPXUGMSUBIQ-CMPLNLGQSA-N -1 0 305.396 0.254 10 0 DCAERM Cc1nc(S(=O)(=O)NC2(CC(=O)[O-])CCCC2)cn1C ZINC000084146964 545699599 /nfs/dbraw/zinc/69/95/99/545699599.db2.gz PLVYTMPNGUKYLU-UHFFFAOYSA-N -1 0 301.368 0.794 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](CC)C(=O)[O-] ZINC000087485953 545708358 /nfs/dbraw/zinc/70/83/58/545708358.db2.gz LRYNEXNXSLULFS-MNOVXSKESA-N -1 0 320.411 0.418 10 0 DCAERM N#Cc1ccc(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)cn1 ZINC000159676698 291235771 /nfs/dbraw/zinc/23/57/71/291235771.db2.gz NKPJPHUMOJXAFK-UHFFFAOYSA-N -1 0 324.343 0.586 10 0 DCAERM C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000159674924 291235878 /nfs/dbraw/zinc/23/58/78/291235878.db2.gz CNOLJYYXJAHSGL-DGCLKSJQSA-N -1 0 309.347 0.875 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cn1C ZINC000164856340 291247814 /nfs/dbraw/zinc/24/78/14/291247814.db2.gz SVGCORFVLWVGQB-SKDRFNHKSA-N -1 0 301.368 0.650 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000312905217 291252605 /nfs/dbraw/zinc/25/26/05/291252605.db2.gz SYVOGQGZKWHXCP-UWVGGRQHSA-N -1 0 301.368 0.634 10 0 DCAERM CO[C@H](C)C(=O)N1CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000328625710 294204469 /nfs/dbraw/zinc/20/44/69/294204469.db2.gz DLCURJUYGWBRGN-ZYHUDNBSSA-N -1 0 300.355 0.336 10 0 DCAERM COc1cccc(/C=C/C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000016891083 182062500 /nfs/dbraw/zinc/06/25/00/182062500.db2.gz PDXNQTUQNBBLHN-ZCRIDZFUSA-N -1 0 306.318 0.543 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCS[C@H]3COCC[C@@H]32)O1 ZINC000262290486 304193524 /nfs/dbraw/zinc/19/35/24/304193524.db2.gz LBCBWICJFBAOMO-MMWGEVLESA-N -1 0 301.364 0.352 10 0 DCAERM COCC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000052785891 183872654 /nfs/dbraw/zinc/87/26/54/183872654.db2.gz LOXFWWRTTNJIIP-LLVKDONJSA-N -1 0 305.327 0.735 10 0 DCAERM CSCC[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000038026584 295601247 /nfs/dbraw/zinc/60/12/47/295601247.db2.gz XRDITJNHTTVKOC-VHSXEESVSA-N -1 0 317.411 0.632 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000262516414 533295864 /nfs/dbraw/zinc/29/58/64/533295864.db2.gz NOQODWOVSFBWFN-WCQYABFASA-N -1 0 316.317 0.581 10 0 DCAERM CCCCN(C)S(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000092778627 395733094 /nfs/dbraw/zinc/73/30/94/395733094.db2.gz AWQYXJOWDYCZBE-LLVKDONJSA-N -1 0 316.383 0.198 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000133263489 395929050 /nfs/dbraw/zinc/92/90/50/395929050.db2.gz OZWYHHZCCBAMCZ-BDAKNGLRSA-N -1 0 315.347 0.861 10 0 DCAERM CC(C)C[C@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236590774 395894104 /nfs/dbraw/zinc/89/41/04/395894104.db2.gz BCVQCWFBRDFRAE-NSHDSACASA-N -1 0 320.349 0.502 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)[O-])cn1 ZINC000130814387 395923607 /nfs/dbraw/zinc/92/36/07/395923607.db2.gz QCZSCBKXQAZFEC-GFCCVEGCSA-N -1 0 309.347 0.665 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000133244602 395928813 /nfs/dbraw/zinc/92/88/13/395928813.db2.gz YDSPCFSOWRCENZ-RNFRBKRXSA-N -1 0 321.376 0.922 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCC[C@H](O)C1 ZINC000134680037 395934253 /nfs/dbraw/zinc/93/42/53/395934253.db2.gz HEQCNROTFWEOEJ-SFYZADRCSA-N -1 0 320.392 0.512 10 0 DCAERM CC[C@@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC000148303583 395968142 /nfs/dbraw/zinc/96/81/42/395968142.db2.gz YUWHNPDRAWWLLK-NXEZZACHSA-N -1 0 306.384 0.316 10 0 DCAERM CN(C(=O)CC[C@H]([NH3+])C(=O)[O-])c1cccc(S(=O)(=O)[O-])c1 ZINC000169006335 396090413 /nfs/dbraw/zinc/09/04/13/396090413.db2.gz DUJHCRSJRFBWFG-JTQLQIEISA-N -1 0 316.335 0.088 10 0 DCAERM Cc1cccc(C(=O)NCCNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000262029822 396091306 /nfs/dbraw/zinc/09/13/06/396091306.db2.gz GUSROLQVBQMBSW-OLZOCXBDSA-N -1 0 304.346 0.952 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)Cn1cnc2sccc2c1=O ZINC000070311338 396101252 /nfs/dbraw/zinc/10/12/52/396101252.db2.gz XPIOXQSNYBKRCG-MRVPVSSYSA-N -1 0 309.347 0.828 10 0 DCAERM C[C@@H]1CN(C(=O)COCCc2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC000262153958 396105188 /nfs/dbraw/zinc/10/51/88/396105188.db2.gz BYEYIOLAQAZEHQ-OCCSQVGLSA-N -1 0 307.346 0.946 10 0 DCAERM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000261969416 396085133 /nfs/dbraw/zinc/08/51/33/396085133.db2.gz BGZOSTNCBHALEU-RWMBFGLXSA-N -1 0 324.377 0.195 10 0 DCAERM NC(=O)COc1ccccc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262688836 396173841 /nfs/dbraw/zinc/17/38/41/396173841.db2.gz DIPWKGUEFMLWQT-VHSXEESVSA-N -1 0 306.318 0.534 10 0 DCAERM CC(=O)N[C@@H](C)C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000262700977 396174121 /nfs/dbraw/zinc/17/41/21/396174121.db2.gz CFEGRBVVHYYOBG-JTQLQIEISA-N -1 0 308.334 0.333 10 0 DCAERM CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262721804 396175545 /nfs/dbraw/zinc/17/55/45/396175545.db2.gz QDMPEVZMEVOOAD-UTLUCORTSA-N -1 0 300.380 0.667 10 0 DCAERM CNC(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cn1 ZINC000263129338 396202697 /nfs/dbraw/zinc/20/26/97/396202697.db2.gz XQYIZLNITKABCD-GMXVVIOVSA-N -1 0 317.345 0.767 10 0 DCAERM CCOCCNC(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C ZINC000562395684 396661559 /nfs/dbraw/zinc/66/15/59/396661559.db2.gz FHCOAJBYHLEWAY-QMTHXVAHSA-N -1 0 302.371 0.981 10 0 DCAERM CN(C(=O)N1CC(C)(C)[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000630427295 397018567 /nfs/dbraw/zinc/01/85/67/397018567.db2.gz FEOAQISIOUEJJB-RKDXNWHRSA-N -1 0 304.368 0.020 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CSC[C@H]2C)C1 ZINC000397820451 397313528 /nfs/dbraw/zinc/31/35/28/397313528.db2.gz UGGGHXCUCXNUFC-BREBYQMCSA-N -1 0 302.396 0.871 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000037418185 157987729 /nfs/dbraw/zinc/98/77/29/157987729.db2.gz ULVLYBAWBVUSBH-IONNQARKSA-N -1 0 323.729 0.688 10 0 DCAERM COC(=O)[C@H]1CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000095018726 158123615 /nfs/dbraw/zinc/12/36/15/158123615.db2.gz MEBJOQJNFPYTDQ-WDEREUQCSA-N -1 0 300.355 0.938 10 0 DCAERM Cc1ncsc1C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000118911907 158179080 /nfs/dbraw/zinc/17/90/80/158179080.db2.gz CDMLYHUJCAHMGF-UHFFFAOYSA-N -1 0 314.392 0.921 10 0 DCAERM CCN1C[C@H](C(=O)N2CCC[C@](COC)(C(=O)[O-])C2)CC1=O ZINC000262851326 158844599 /nfs/dbraw/zinc/84/45/99/158844599.db2.gz HUUOORLRIMIUHQ-ABAIWWIYSA-N -1 0 312.366 0.195 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000262950544 158850267 /nfs/dbraw/zinc/85/02/67/158850267.db2.gz MLSXXVLKLAKRGP-QMMMGPOBSA-N -1 0 318.351 0.312 10 0 DCAERM CS(=O)(=O)N[C@H]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000262971154 158850323 /nfs/dbraw/zinc/85/03/23/158850323.db2.gz RUWCKVUAGYRPGM-ILDUYXDCSA-N -1 0 318.395 0.028 10 0 DCAERM CO[C@@H](CNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(=O)[O-] ZINC000263104487 158856435 /nfs/dbraw/zinc/85/64/35/158856435.db2.gz OSQLJVTZMDIQOS-JQWIXIFHSA-N -1 0 302.371 0.389 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000408191705 160057066 /nfs/dbraw/zinc/05/70/66/160057066.db2.gz JOQXKTUUWGNAFP-SNVBAGLBSA-N -1 0 318.782 0.476 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)nc1C ZINC000408393697 160099171 /nfs/dbraw/zinc/09/91/71/160099171.db2.gz KYKJTWKGYQKZEO-WCQGTBRESA-N -1 0 313.379 0.441 10 0 DCAERM Cc1nc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c(C)s1 ZINC000408401201 160101192 /nfs/dbraw/zinc/10/11/92/160101192.db2.gz AQIYRJCWUGECKP-VIFPVBQESA-N -1 0 304.393 0.999 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1OCC[C@@H]1C(C)C ZINC000408452192 160110688 /nfs/dbraw/zinc/11/06/88/160110688.db2.gz NZLCMNTUHFRCFA-ZYHUDNBSSA-N -1 0 315.395 0.595 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H]1C(C)C ZINC000408452622 160111305 /nfs/dbraw/zinc/11/13/05/160111305.db2.gz PLWGNBJGIMQTDV-CMPLNLGQSA-N -1 0 315.395 0.595 10 0 DCAERM CC[C@@H](OC1CCCCC1)C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408476155 160116349 /nfs/dbraw/zinc/11/63/49/160116349.db2.gz JUSYIVSUPBMFPQ-GFCCVEGCSA-N -1 0 305.396 0.959 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@H]1CCc2n[nH]cc2C1 ZINC000408485364 160118615 /nfs/dbraw/zinc/11/86/15/160118615.db2.gz HEMSBWOSGLDUKP-ONGXEEELSA-N -1 0 313.379 0.140 10 0 DCAERM CO[C@]1(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)s2)CCOC1 ZINC000408483653 160118675 /nfs/dbraw/zinc/11/86/75/160118675.db2.gz XFKJOUHLWSPXLP-GFCCVEGCSA-N -1 0 319.404 0.975 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCCOCC2)cnn1C ZINC000408484773 160118691 /nfs/dbraw/zinc/11/86/91/160118691.db2.gz OGNWFFIUVPRPDV-JTQLQIEISA-N -1 0 301.368 0.350 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@H]1CCc2n[nH]cc2C1 ZINC000408489053 160118948 /nfs/dbraw/zinc/11/89/48/160118948.db2.gz PGMBNVFXFNABIB-GXSJLCMTSA-N -1 0 313.379 0.140 10 0 DCAERM CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000408490426 160119260 /nfs/dbraw/zinc/11/92/60/160119260.db2.gz AUBKKXHNSRKMPL-LLVKDONJSA-N -1 0 316.423 0.880 10 0 DCAERM CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000408500193 160119699 /nfs/dbraw/zinc/11/96/99/160119699.db2.gz WJYNVGXGMKJFSP-SECBINFHSA-N -1 0 300.380 0.386 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000408503346 160120477 /nfs/dbraw/zinc/12/04/77/160120477.db2.gz VAFWUGOAKUJINC-GFCCVEGCSA-N -1 0 304.412 0.343 10 0 DCAERM Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000333235543 415588350 /nfs/dbraw/zinc/58/83/50/415588350.db2.gz AAUCDHXGETWXFT-RTXFEEFZSA-N -1 0 322.365 0.756 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCc2cn(C)cn2)C1 ZINC000313232777 416107980 /nfs/dbraw/zinc/10/79/80/416107980.db2.gz BIVBCXMIBVJKIQ-CQSZACIVSA-N -1 0 310.354 0.095 10 0 DCAERM CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000192599925 416308177 /nfs/dbraw/zinc/30/81/77/416308177.db2.gz PHNMSARRZDIWAR-CQSZACIVSA-N -1 0 317.389 0.771 10 0 DCAERM CC1CCC(OCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CC1 ZINC000359369833 416344016 /nfs/dbraw/zinc/34/40/16/416344016.db2.gz LEVMFXMCTOMFLR-UHFFFAOYSA-N -1 0 316.383 0.742 10 0 DCAERM CCCc1nc(=NC(=O)N[C@H](C)CN2CCOCC2)s[n-]1 ZINC000514802909 416677612 /nfs/dbraw/zinc/67/76/12/416677612.db2.gz HAUZEXVQEDQNCG-SNVBAGLBSA-N -1 0 313.427 0.755 10 0 DCAERM Cc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)[O-])o1 ZINC000565604408 416998470 /nfs/dbraw/zinc/99/84/70/416998470.db2.gz RDRLAPNAGLBAPN-VIFPVBQESA-N -1 0 303.336 0.841 10 0 DCAERM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000632586841 417182566 /nfs/dbraw/zinc/18/25/66/417182566.db2.gz WOJUNAZTFHPDSZ-SNVBAGLBSA-N -1 0 302.327 0.430 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530153481 417545755 /nfs/dbraw/zinc/54/57/55/417545755.db2.gz VTBHYCLPHVNJBY-WYUUTHIRSA-N -1 0 302.396 0.806 10 0 DCAERM CCCCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000629307275 417776839 /nfs/dbraw/zinc/77/68/39/417776839.db2.gz CMKMIEQCQBRUJA-JQWIXIFHSA-N -1 0 308.400 0.527 10 0 DCAERM CNC(=O)c1cc(S(=O)(=O)[N-]c2onc(C)c2C)cn1C ZINC000489541801 287555403 /nfs/dbraw/zinc/55/54/03/287555403.db2.gz LPKWNKOXBVMAII-UHFFFAOYSA-N -1 0 312.351 0.790 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1ccoc1Br ZINC000392205203 262161192 /nfs/dbraw/zinc/16/11/92/262161192.db2.gz SZQDYUSXDWYGMW-UHFFFAOYSA-N -1 0 302.084 0.691 10 0 DCAERM CCc1nc(C(C)(C)NC(=O)CSc2n[nH]c(=O)[n-]2)no1 ZINC000443359526 271711070 /nfs/dbraw/zinc/71/10/70/271711070.db2.gz JZOQIVNJTVHYSE-UHFFFAOYSA-N -1 0 312.355 0.599 10 0 DCAERM Cn1c(=O)ccc2ccc(NC(=O)NCc3n[nH]c(=O)[n-]3)cc21 ZINC000489588511 272063921 /nfs/dbraw/zinc/06/39/21/272063921.db2.gz VPBTYVPQIYFUMA-UHFFFAOYSA-N -1 0 314.305 0.684 10 0 DCAERM CCO[C@H]1C[C@@]([N-]S(=O)(=O)C2COC2)(C(=O)OC)C1(C)C ZINC000494410726 272221787 /nfs/dbraw/zinc/22/17/87/272221787.db2.gz LIROMMPANHAJCI-GXFFZTMASA-N -1 0 321.395 0.051 10 0 DCAERM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262856303 278304701 /nfs/dbraw/zinc/30/47/01/278304701.db2.gz DSDUVSBOZGWJGB-VHSXEESVSA-N -1 0 302.346 0.953 10 0 DCAERM Cc1nc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccccn2)c[nH]1 ZINC000547564798 288058876 /nfs/dbraw/zinc/05/88/76/288058876.db2.gz FYVVBIITYHXIJV-UHFFFAOYSA-N -1 0 324.362 0.779 10 0 DCAERM COCCCS(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-] ZINC000547550470 288057140 /nfs/dbraw/zinc/05/71/40/288057140.db2.gz JHPRCSBIIWLAKI-NSHDSACASA-N -1 0 316.379 0.281 10 0 DCAERM CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000548235148 288123492 /nfs/dbraw/zinc/12/34/92/288123492.db2.gz DVJODEPRHFZVOL-UHFFFAOYSA-N -1 0 314.363 0.484 10 0 DCAERM CCC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000263319211 281939144 /nfs/dbraw/zinc/93/91/44/281939144.db2.gz QVVGKSKGHAXCPX-ZJUUUORDSA-N -1 0 316.379 0.000 10 0 DCAERM CN1CC[C@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1=O ZINC000178049650 290193033 /nfs/dbraw/zinc/19/30/33/290193033.db2.gz TUHHLLVSBIQDFG-JSGCOSHPSA-N -1 0 316.357 0.893 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)N2CCCCCC2)C1 ZINC000020563591 294651632 /nfs/dbraw/zinc/65/16/32/294651632.db2.gz BOMFRGATZKAKDE-WDEREUQCSA-N -1 0 306.384 0.281 10 0 DCAERM C[C@@H]1COCCN1S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000035237164 297128357 /nfs/dbraw/zinc/12/83/57/297128357.db2.gz WKPUHMNCAFTFRD-MRVPVSSYSA-N -1 0 305.377 0.785 10 0 DCAERM COCCN(CC(=O)[O-])S(=O)(=O)CCCC(F)(F)F ZINC000214939439 332203326 /nfs/dbraw/zinc/20/33/26/332203326.db2.gz LAXFFTPJQZMBDC-UHFFFAOYSA-N -1 0 307.290 0.692 10 0 DCAERM CC[C@@H](C)[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000237037572 522308288 /nfs/dbraw/zinc/30/82/88/522308288.db2.gz BJUAEEJOHVYXHG-QMTHXVAHSA-N -1 0 317.349 0.820 10 0 DCAERM CC[C@@H](C)[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000237008264 522375806 /nfs/dbraw/zinc/37/58/06/522375806.db2.gz BJUAEEJOHVYXHG-YGRLFVJLSA-N -1 0 317.349 0.820 10 0 DCAERM CN(C(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263023917 523893541 /nfs/dbraw/zinc/89/35/41/523893541.db2.gz OBHPIOCHMQSCMP-SNVBAGLBSA-N -1 0 306.318 0.591 10 0 DCAERM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](C)CCC(=O)[O-])C2=O ZINC000262198399 526139492 /nfs/dbraw/zinc/13/94/92/526139492.db2.gz OGPADKWPRAYSFY-JTQLQIEISA-N -1 0 318.329 0.961 10 0 DCAERM Cc1cnn(Cc2cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)no2)c1 ZINC000262994639 526265323 /nfs/dbraw/zinc/26/53/23/526265323.db2.gz TWYZDSNVLPENMU-CQSZACIVSA-N -1 0 320.305 0.201 10 0 DCAERM COc1n[nH]c(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n1 ZINC000158913229 545858007 /nfs/dbraw/zinc/85/80/07/545858007.db2.gz MKTACOSDFNCJON-UHFFFAOYSA-N -1 0 303.200 0.773 10 0 DCAERM CNC(=O)C1CN(C(=O)c2cnc3nc(C)ccc3c2O)C1 ZINC000183855340 545909988 /nfs/dbraw/zinc/90/99/88/545909988.db2.gz ZGTXXERLEZDQAQ-UHFFFAOYSA-N -1 0 300.318 0.462 10 0 DCAERM C[C@@H](CNC(=O)NCc1nn(C)cc1Br)C(=O)[O-] ZINC000393426626 546220958 /nfs/dbraw/zinc/22/09/58/546220958.db2.gz NURXXHGYYIVKBO-LURJTMIESA-N -1 0 319.159 0.703 10 0 DCAERM O=C([O-])CCn1cc(CON2C(=O)c3ccccc3C2=O)nn1 ZINC000725259533 548749363 /nfs/dbraw/zinc/74/93/63/548749363.db2.gz DHGRVUGKUDEYBQ-UHFFFAOYSA-N -1 0 316.273 0.481 10 0 DCAERM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)CCC(=O)[O-])C1 ZINC000262114239 658497956 /nfs/dbraw/zinc/49/79/56/658497956.db2.gz HLUJCVVNNXJADB-MNOVXSKESA-N -1 0 320.411 0.418 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCS(=O)(=O)C2)C1 ZINC000757184520 658644980 /nfs/dbraw/zinc/64/49/80/658644980.db2.gz LAYNSDHZPKDYTO-RNCFNFMXSA-N -1 0 319.379 0.743 10 0 DCAERM CO[C@@H](CNC(=O)c1nc(Br)cs1)C(=O)[O-] ZINC000309355252 658856748 /nfs/dbraw/zinc/85/67/48/658856748.db2.gz NSXNNXKXXTULRS-BYPYZUCNSA-N -1 0 309.141 0.735 10 0 DCAERM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000181900240 659085979 /nfs/dbraw/zinc/08/59/79/659085979.db2.gz NQGKFYXAJCNQMB-DTWKUNHWSA-N -1 0 302.352 0.642 10 0 DCAERM C[C@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000192219949 662132532 /nfs/dbraw/zinc/13/25/32/662132532.db2.gz DKXLZIAPFNCUKV-SFYZADRCSA-N -1 0 321.786 0.694 10 0 DCAERM O=C([O-])[C@@H](NC(=O)c1ccc2nncn2c1)[C@@H]1CCCOC1 ZINC000262763702 662571070 /nfs/dbraw/zinc/57/10/70/662571070.db2.gz KUOFQDJUYUCYOO-PWSUYJOCSA-N -1 0 304.306 0.339 10 0 DCAERM C[C@@H](CN(C)C(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000263496702 662701937 /nfs/dbraw/zinc/70/19/37/662701937.db2.gz RDJKPBGZYDFRNO-VIFPVBQESA-N -1 0 304.310 0.847 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)C1 ZINC000251073522 663150349 /nfs/dbraw/zinc/15/03/49/663150349.db2.gz GCPJDTYACUYMSI-UTUOFQBUSA-N -1 0 320.411 0.169 10 0 DCAERM Cc1occc1C(=O)NC1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732284060 664911972 /nfs/dbraw/zinc/91/19/72/664911972.db2.gz ISAMKFWURJYIIP-UHFFFAOYSA-N -1 0 318.333 0.185 10 0 DCAERM CCS(=O)(=O)CCNC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000233804741 665329513 /nfs/dbraw/zinc/32/95/13/665329513.db2.gz FDVDRHKSDJNXHT-SNVBAGLBSA-N -1 0 308.400 0.467 10 0 DCAERM CC(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000184852981 666292584 /nfs/dbraw/zinc/29/25/84/666292584.db2.gz PGUFZSRHZSHXFE-SECBINFHSA-N -1 0 315.395 0.611 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(c2ncccc2S(C)(=O)=O)C1 ZINC000703741507 667135152 /nfs/dbraw/zinc/13/51/52/667135152.db2.gz JMVZMEHIJRHQIN-GFCCVEGCSA-N -1 0 300.336 0.165 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@@H]2CCSC2)C1 ZINC000704922696 667267519 /nfs/dbraw/zinc/26/75/19/667267519.db2.gz KZKWGKQYEFVHIR-MNOVXSKESA-N -1 0 322.452 0.761 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000711557448 667487520 /nfs/dbraw/zinc/48/75/20/667487520.db2.gz ODRFDOAUBPQFJF-DTORHVGOSA-N -1 0 303.361 0.961 10 0 DCAERM COCCS(=O)(=O)[N-]C(=O)c1oc(CC(C)C)nc1C ZINC000191082231 669974438 /nfs/dbraw/zinc/97/44/38/669974438.db2.gz WSHKHZADXRXLJG-UHFFFAOYSA-N -1 0 304.368 0.888 10 0 DCAERM C[C@H]1CCCCN1S(=O)(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000712939936 670151015 /nfs/dbraw/zinc/15/10/15/670151015.db2.gz AOFWXUCZBDYGKA-MEWQQHAOSA-N -1 0 302.396 0.949 10 0 DCAERM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000194168278 670407801 /nfs/dbraw/zinc/40/78/01/670407801.db2.gz OBTDLFSKDIRHRF-WPRPVWTQSA-N -1 0 323.315 0.427 10 0 DCAERM COC[C@H](C)C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000105767880 672223908 /nfs/dbraw/zinc/22/39/08/672223908.db2.gz VGODUSCVOOZDQR-VIFPVBQESA-N -1 0 318.420 0.750 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000252468623 685186268 /nfs/dbraw/zinc/18/62/68/685186268.db2.gz VLZWWLCZICVMQA-GHMZBOCLSA-N -1 0 320.411 0.560 10 0 DCAERM C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)COCC(=O)[O-] ZINC000382601040 685241581 /nfs/dbraw/zinc/24/15/81/685241581.db2.gz RPKZMNVIWKWTNM-CYBMUJFWSA-N -1 0 306.362 0.821 10 0 DCAERM CN(CCCCO)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000384990498 685246508 /nfs/dbraw/zinc/24/65/08/685246508.db2.gz BVKZOAYUSCBLOD-UHFFFAOYSA-N -1 0 305.327 0.917 10 0 DCAERM CC[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](C)O ZINC000395650560 1157935180 /nfs/dbraw/zinc/93/51/80/1157935180.db2.gz KIEXKCMCOBYCTK-APPZFPTMSA-N -1 0 304.324 0.738 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2ncc3ccccc32)C1 ZINC000237240770 1180869765 /nfs/dbraw/zinc/86/97/65/1180869765.db2.gz OMLBUBQWQHNGEQ-AAEUAGOBSA-N -1 0 303.318 0.737 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000261692296 1184811627 /nfs/dbraw/zinc/81/16/27/1184811627.db2.gz NKKPFAGLSXQLNA-MNOVXSKESA-N -1 0 307.302 0.772 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000261809223 1185159162 /nfs/dbraw/zinc/15/91/62/1185159162.db2.gz ZNWUURYXOVLHQB-UPJWGTAASA-N -1 0 305.330 0.938 10 0 DCAERM CCn1nccc1N1CCC[C@H](NC(=O)[C@@H](C)C(=O)[O-])C1=O ZINC000263543357 1185179674 /nfs/dbraw/zinc/17/96/74/1185179674.db2.gz FFAOYJKDGKMMRA-ZJUUUORDSA-N -1 0 308.338 0.235 10 0 DCAERM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263541762 1185179721 /nfs/dbraw/zinc/17/97/21/1185179721.db2.gz DIDIQSRNOXVYKJ-IVZWLZJFSA-N -1 0 305.352 0.207 10 0 DCAERM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403661265 774111332 /nfs/dbraw/zinc/11/13/32/774111332.db2.gz RWPCMIDBGXMFSK-MXWGWFQNSA-N -1 0 300.380 0.642 10 0 DCAERM O=C([O-])COCCNC(=O)c1nscc1Br ZINC000404957362 774145089 /nfs/dbraw/zinc/14/50/89/774145089.db2.gz SLYCVVURBHWZEA-UHFFFAOYSA-N -1 0 309.141 0.737 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000694646851 954780096 /nfs/dbraw/zinc/78/00/96/954780096.db2.gz VWCFPUISKNCYKG-GWCFXTLKSA-N -1 0 303.380 0.667 10 0 DCAERM COCC(COC)S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000692087303 968912113 /nfs/dbraw/zinc/91/21/13/968912113.db2.gz DDEUBKSUBJHOPG-UHFFFAOYSA-N -1 0 311.400 0.410 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)c1ccc(C(=O)[O-])s1 ZINC000688519782 976183004 /nfs/dbraw/zinc/18/30/04/976183004.db2.gz KYIMFXXIABDMCE-UHFFFAOYSA-N -1 0 305.377 0.953 10 0 DCAERM CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000689249558 976245802 /nfs/dbraw/zinc/24/58/02/976245802.db2.gz QKEZWQFJSHJWEM-IONNQARKSA-N -1 0 304.324 0.154 10 0 DCAERM CN(C[C@H](O)C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000690252232 976283283 /nfs/dbraw/zinc/28/32/83/976283283.db2.gz OVPJTMLKCCBBJH-QMMMGPOBSA-N -1 0 305.377 0.838 10 0 DCAERM CN(C(=O)NCC1(S(C)(=O)=O)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000692997483 976556310 /nfs/dbraw/zinc/55/63/10/976556310.db2.gz LUGHXJXCPURSAB-DTORHVGOSA-N -1 0 304.368 0.068 10 0 DCAERM C[S@@](=O)C1(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC000694174656 976676277 /nfs/dbraw/zinc/67/62/77/976676277.db2.gz OWNVIGFSYKTXQH-LJQANCHMSA-N -1 0 321.376 0.557 10 0 DCAERM C[C@@]1(O)CCCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694190557 976677871 /nfs/dbraw/zinc/67/78/71/976677871.db2.gz YBGGQTSONOFNKO-GFCCVEGCSA-N -1 0 303.336 0.903 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)N2CCCC3(CC3)C2)CC1 ZINC000695076346 976774750 /nfs/dbraw/zinc/77/47/50/976774750.db2.gz FICKVWMMUCQPQQ-UHFFFAOYSA-N -1 0 302.396 0.904 10 0 DCAERM Cc1c2c(cc(=O)n1-c1cc[nH]n1)[n-]n(-c1ncccn1)c2=O ZINC000072446272 191169158 /nfs/dbraw/zinc/16/91/58/191169158.db2.gz OHBHKEGVBJFVGD-UHFFFAOYSA-N -1 0 309.289 0.291 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C)O2)nc1C ZINC000180199739 237253887 /nfs/dbraw/zinc/25/38/87/237253887.db2.gz QXBLYRUHYVPOEB-PSASIEDQSA-N -1 0 301.368 0.584 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000165950036 291248885 /nfs/dbraw/zinc/24/88/85/291248885.db2.gz GNQIEIUCISRDRB-NSHDSACASA-N -1 0 320.411 0.434 10 0 DCAERM Cc1c(S(=O)(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cnn1C ZINC000312642390 291251769 /nfs/dbraw/zinc/25/17/69/291251769.db2.gz DIADSNISZPHGTM-JQWIXIFHSA-N -1 0 301.368 0.650 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000312905215 291251784 /nfs/dbraw/zinc/25/17/84/291251784.db2.gz SYVOGQGZKWHXCP-NXEZZACHSA-N -1 0 301.368 0.634 10 0 DCAERM Cc1c(S(=O)(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cnn1C ZINC000312642388 291251832 /nfs/dbraw/zinc/25/18/32/291251832.db2.gz DIADSNISZPHGTM-CMPLNLGQSA-N -1 0 301.368 0.650 10 0 DCAERM CCN(C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000006654784 181366128 /nfs/dbraw/zinc/36/61/28/181366128.db2.gz MIIHUYRQTKILHX-WOPDTQHZSA-N -1 0 317.407 0.913 10 0 DCAERM CS(=O)(=O)CC[C@H](NC(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000019987191 182174423 /nfs/dbraw/zinc/17/44/23/182174423.db2.gz LSIZTUYAVILSJK-JTQLQIEISA-N -1 0 321.301 0.583 10 0 DCAERM Cc1nc(-c2cccc(S(=O)(=O)NCCC(=O)[O-])c2)no1 ZINC000032918017 182680141 /nfs/dbraw/zinc/68/01/41/182680141.db2.gz YNHQWASZSTUNLU-UHFFFAOYSA-N -1 0 311.319 0.798 10 0 DCAERM CCC[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000036838254 182847365 /nfs/dbraw/zinc/84/73/65/182847365.db2.gz YVBOSCLNSQYGFP-NSHDSACASA-N -1 0 312.347 0.713 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000573652131 291645968 /nfs/dbraw/zinc/64/59/68/291645968.db2.gz WIAKAJHVDKNVIC-BXUZGUMPSA-N -1 0 309.343 0.984 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2CCS(=O)CC2)s1 ZINC000049692607 183754254 /nfs/dbraw/zinc/75/42/54/183754254.db2.gz HWLNNLDUDPZZBK-UHFFFAOYSA-N -1 0 309.390 0.199 10 0 DCAERM CCOC(=O)CNn1cnc2sc(C(=O)[O-])c(C)c2c1=O ZINC000057346841 184034354 /nfs/dbraw/zinc/03/43/54/184034354.db2.gz CWNUZFMSHFMVNV-UHFFFAOYSA-N -1 0 311.319 0.571 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000037462150 395727430 /nfs/dbraw/zinc/72/74/30/395727430.db2.gz DGBLJJPCOJCXCT-XCBNKYQSSA-N -1 0 307.755 0.761 10 0 DCAERM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000037838926 395729479 /nfs/dbraw/zinc/72/94/79/395729479.db2.gz MSBRGZPIPUSZTC-SNVBAGLBSA-N -1 0 312.347 0.284 10 0 DCAERM COCCS(=O)(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000042808254 395749135 /nfs/dbraw/zinc/74/91/35/395749135.db2.gz JYAIMLCITGIRPL-LLVKDONJSA-N -1 0 301.320 0.315 10 0 DCAERM COCCN(CCOC)C(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC000111437762 395808863 /nfs/dbraw/zinc/80/88/63/395808863.db2.gz FMQITMZTBLDXKB-VHSXEESVSA-N -1 0 306.384 0.549 10 0 DCAERM O=C([O-])c1csc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1 ZINC000050397509 395838752 /nfs/dbraw/zinc/83/87/52/395838752.db2.gz ZMCPQEQUUOPSKY-SSDOTTSWSA-N -1 0 304.349 0.003 10 0 DCAERM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000116982118 395850160 /nfs/dbraw/zinc/85/01/60/395850160.db2.gz IYQYDDXIFSLIHT-MRVPVSSYSA-N -1 0 320.317 0.434 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1C(N)=O ZINC000133311914 395929090 /nfs/dbraw/zinc/92/90/90/395929090.db2.gz XCXOOCATUMFGOY-RKDXNWHRSA-N -1 0 314.363 0.481 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000133263257 395929306 /nfs/dbraw/zinc/92/93/06/395929306.db2.gz OZWYHHZCCBAMCZ-IUCAKERBSA-N -1 0 315.347 0.861 10 0 DCAERM C[C@H]1SCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1C ZINC000132351377 395926845 /nfs/dbraw/zinc/92/68/45/395926845.db2.gz OEFDQOAJUWRTPZ-NKWVEPMBSA-N -1 0 305.381 0.622 10 0 DCAERM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC[C@@H](C)O ZINC000118718488 395863842 /nfs/dbraw/zinc/86/38/42/395863842.db2.gz OWSWQRQZRRFFED-SNVBAGLBSA-N -1 0 300.380 0.949 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000227865860 395869958 /nfs/dbraw/zinc/86/99/58/395869958.db2.gz UMLDCPMPZFVVRV-KWQFWETISA-N -1 0 321.786 0.995 10 0 DCAERM C[C@@H](CCCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000229518301 395874749 /nfs/dbraw/zinc/87/47/49/395874749.db2.gz OGAYEOVASVJGDR-GARJFASQSA-N -1 0 308.400 0.431 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000230811606 395881501 /nfs/dbraw/zinc/88/15/01/395881501.db2.gz YQGPNIZJFUGMNQ-SFYZADRCSA-N -1 0 321.786 0.995 10 0 DCAERM COCc1cc(-n2cnc(C(=O)[O-])c2)nc(-c2cnccn2)n1 ZINC000070452529 396102000 /nfs/dbraw/zinc/10/20/00/396102000.db2.gz NQLGQYVCHMIBJM-UHFFFAOYSA-N -1 0 312.289 0.964 10 0 DCAERM Cn1c(=O)c2cc(C(=O)[O-])cnc2n(-c2ccc(F)cc2)c1=O ZINC000070451444 396102364 /nfs/dbraw/zinc/10/23/64/396102364.db2.gz XNQLTUPTYPNBFE-UHFFFAOYSA-N -1 0 315.260 0.922 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070555854 396102829 /nfs/dbraw/zinc/10/28/29/396102829.db2.gz XWPVXKSAHOCPFP-ZJUUUORDSA-N -1 0 301.368 0.948 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000262183451 396108048 /nfs/dbraw/zinc/10/80/48/396108048.db2.gz SKVVRPAPGBADQI-ZCFIWIBFSA-N -1 0 306.365 0.379 10 0 DCAERM NC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000262214323 396111503 /nfs/dbraw/zinc/11/15/03/396111503.db2.gz JMTQLKLWYNRMJY-ZIBATOQPSA-N -1 0 309.366 0.490 10 0 DCAERM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])co1 ZINC000262376460 396132832 /nfs/dbraw/zinc/13/28/32/396132832.db2.gz NENCHWJHTUAOLM-SECBINFHSA-N -1 0 316.335 0.132 10 0 DCAERM C[C@]1(C(N)=O)CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000262527147 396150654 /nfs/dbraw/zinc/15/06/54/396150654.db2.gz PAEKSOZULYRWAU-HNNXBMFYSA-N -1 0 305.334 0.792 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000262975398 396195303 /nfs/dbraw/zinc/19/53/03/396195303.db2.gz JBVDFKXMPHINRW-GHMZBOCLSA-N -1 0 314.382 0.629 10 0 DCAERM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccnc(N3CCOCC3)n2)C1 ZINC000263078240 396200722 /nfs/dbraw/zinc/20/07/22/396200722.db2.gz BATXACJXYDIKLM-VXGBXAGGSA-N -1 0 306.366 0.860 10 0 DCAERM C[C@H](CN(C)C(=O)NCCn1c(=O)oc2ccccc21)C(=O)[O-] ZINC000263177936 396204534 /nfs/dbraw/zinc/20/45/34/396204534.db2.gz DYAQJPPEIUMYQO-SNVBAGLBSA-N -1 0 321.333 0.957 10 0 DCAERM C[C@@H](C(=O)[O-])C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000263537848 396219987 /nfs/dbraw/zinc/21/99/87/396219987.db2.gz AQMBWZGKWREKFC-VWYCJHECSA-N -1 0 310.329 0.573 10 0 DCAERM C[C@@H]1C(=O)NCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000188098404 396379138 /nfs/dbraw/zinc/37/91/38/396379138.db2.gz PLWWXPPNPXSPNO-LLVKDONJSA-N -1 0 314.345 0.929 10 0 DCAERM CCOCCS(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000377153619 397038359 /nfs/dbraw/zinc/03/83/59/397038359.db2.gz JUIFCQZSCVTONH-MRVPVSSYSA-N -1 0 301.311 0.395 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N1CC(C)(C)[C@H]1C(=O)[O-] ZINC000630425352 397017305 /nfs/dbraw/zinc/01/73/05/397017305.db2.gz OECNVYZPGWDNFL-SNVBAGLBSA-N -1 0 301.368 0.521 10 0 DCAERM CN(CCn1cccn1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000630655399 397071272 /nfs/dbraw/zinc/07/12/72/397071272.db2.gz DHSJRCAMMJTAGY-STQMWFEESA-N -1 0 306.366 0.422 10 0 DCAERM CC(=O)c1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000487332232 397469613 /nfs/dbraw/zinc/46/96/13/397469613.db2.gz DCPZEBJMOGWWOQ-UHFFFAOYSA-N -1 0 308.319 0.663 10 0 DCAERM O=C([O-])[C@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CCC1(F)F ZINC000370572955 397502852 /nfs/dbraw/zinc/50/28/52/397502852.db2.gz XHBCXJKMQLMQEM-DTWKUNHWSA-N -1 0 313.322 0.537 10 0 DCAERM CCOCCO[C@@H](C)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262323277 286107997 /nfs/dbraw/zinc/10/79/97/286107997.db2.gz DAVYYAXULSNKEY-SLEUVZQESA-N -1 0 315.366 0.378 10 0 DCAERM Cc1ccccc1-n1nccc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000091055228 158106614 /nfs/dbraw/zinc/10/66/14/158106614.db2.gz FPTNLCDIHNULDL-JTQLQIEISA-N -1 0 313.317 0.717 10 0 DCAERM COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1(CO)CCC1 ZINC000123061661 158226204 /nfs/dbraw/zinc/22/62/04/158226204.db2.gz OXMRWCGOMKDRNV-UHFFFAOYSA-N -1 0 317.363 0.876 10 0 DCAERM CN1CC[C@@H](C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000123183471 158227270 /nfs/dbraw/zinc/22/72/70/158227270.db2.gz RVHCCJYBKUFUIN-KGLIPLIRSA-N -1 0 318.373 0.915 10 0 DCAERM C[C@H]1CCC[C@](NS(=O)(=O)c2ccnn2C)(C(=O)[O-])C1 ZINC000124126828 158238848 /nfs/dbraw/zinc/23/88/48/158238848.db2.gz KQQDIBZMLFHOTM-JOYOIKCWSA-N -1 0 301.368 0.732 10 0 DCAERM CC(C)(C)OCC[C@@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-] ZINC000262177645 158782653 /nfs/dbraw/zinc/78/26/53/158782653.db2.gz MAXSZILLIBNPQA-LLVKDONJSA-N -1 0 323.349 0.569 10 0 DCAERM CN(CCC(=O)[O-])C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000263172203 158859622 /nfs/dbraw/zinc/85/96/22/158859622.db2.gz DIALUJGRZARZSA-GFCCVEGCSA-N -1 0 320.349 0.693 10 0 DCAERM C/C=C/C[C@@H](NC(=O)c1ccccc1OCC(N)=O)C(=O)[O-] ZINC000263270365 158867769 /nfs/dbraw/zinc/86/77/69/158867769.db2.gz LWTZGCAJKCEGNN-KXMPLOMGSA-N -1 0 306.318 0.700 10 0 DCAERM C/C=C/C[C@@H](NC(=O)[C@H]1CSCN1C(=O)CC)C(=O)[O-] ZINC000263305124 158871272 /nfs/dbraw/zinc/87/12/72/158871272.db2.gz VOPGSXQJARTBPZ-OTIHIVFHSA-N -1 0 300.380 0.834 10 0 DCAERM CCCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC ZINC000263450038 158878284 /nfs/dbraw/zinc/87/82/84/158878284.db2.gz AGKVKPDXFBRICX-UWVGGRQHSA-N -1 0 307.368 0.455 10 0 DCAERM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000408126611 160042691 /nfs/dbraw/zinc/04/26/91/160042691.db2.gz QWLKIPKKVHABSH-ONGXEEELSA-N -1 0 310.375 0.715 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)[C@@H]1CCCOCC1 ZINC000408253659 160069803 /nfs/dbraw/zinc/06/98/03/160069803.db2.gz IXFJQIVIWHLJTF-NWDGAFQWSA-N -1 0 305.396 0.676 10 0 DCAERM Cc1ccn(C)c1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408250002 160070133 /nfs/dbraw/zinc/07/01/33/160070133.db2.gz GOHICCWXRHNFGM-NSHDSACASA-N -1 0 300.380 0.820 10 0 DCAERM Cn1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c1=O ZINC000408380108 160096218 /nfs/dbraw/zinc/09/62/18/160096218.db2.gz SZUYGHVYWSECFS-JTQLQIEISA-N -1 0 314.363 0.014 10 0 DCAERM C[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000408481463 160117730 /nfs/dbraw/zinc/11/77/30/160117730.db2.gz FSUYGAKQNUHELC-XCBNKYQSSA-N -1 0 304.755 0.965 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2 ZINC000408490331 160119171 /nfs/dbraw/zinc/11/91/71/160119171.db2.gz AFWPMFHNFBROEX-TUUUFIMRSA-N -1 0 316.423 0.342 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000408501126 160120559 /nfs/dbraw/zinc/12/05/59/160120559.db2.gz QPKPBMNUCHVFQJ-CYBMUJFWSA-N -1 0 318.439 0.733 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000253159994 287120963 /nfs/dbraw/zinc/12/09/63/287120963.db2.gz SJGFNKDMIWBCAW-ZJUUUORDSA-N -1 0 307.368 0.455 10 0 DCAERM C[C@H](CCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000252861113 287121049 /nfs/dbraw/zinc/12/10/49/287121049.db2.gz OGAYEOVASVJGDR-GMTAPVOTSA-N -1 0 308.400 0.431 10 0 DCAERM CC(C)(CCNC(=O)N1CCS(=O)(=O)CC1)CCC(=O)[O-] ZINC000087675077 415512223 /nfs/dbraw/zinc/51/22/23/415512223.db2.gz RBBUDOUQQLDSJO-UHFFFAOYSA-N -1 0 320.411 0.708 10 0 DCAERM Cc1ccccc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000088715148 415519198 /nfs/dbraw/zinc/51/91/98/415519198.db2.gz MLVSXTHTQHUBCA-NSHDSACASA-N -1 0 309.347 0.692 10 0 DCAERM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)CC1=CCCCC1 ZINC000333562973 415685857 /nfs/dbraw/zinc/68/58/57/415685857.db2.gz LFOWHEGZDSEPOH-JTQLQIEISA-N -1 0 306.322 0.670 10 0 DCAERM COCCOCCCNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263259403 292576497 /nfs/dbraw/zinc/57/64/97/292576497.db2.gz QDEQQRXQLFHFNN-SWLSCSKDSA-N -1 0 314.382 0.936 10 0 DCAERM Cc1c(C(=O)NC2(c3nnn[n-]3)CC2)nnn1-c1ccccc1 ZINC000357058910 416026435 /nfs/dbraw/zinc/02/64/35/416026435.db2.gz SFYQNZISZVREGN-UHFFFAOYSA-N -1 0 310.321 0.508 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCc2cn(C)cn2)C1 ZINC000313232776 416108124 /nfs/dbraw/zinc/10/81/24/416108124.db2.gz BIVBCXMIBVJKIQ-AWEZNQCLSA-N -1 0 310.354 0.095 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@H]2CCC(=O)[O-])c1 ZINC000313186184 416108375 /nfs/dbraw/zinc/10/83/75/416108375.db2.gz LDORZJGLWQRQQG-JTQLQIEISA-N -1 0 301.368 0.921 10 0 DCAERM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424367347 416638895 /nfs/dbraw/zinc/63/88/95/416638895.db2.gz LOJNOTQLIGLVCV-PSASIEDQSA-N -1 0 301.368 0.602 10 0 DCAERM O=C(Cc1cc2ccccc2[nH]c1=O)NC1(c2nnn[n-]2)CC1 ZINC000515403214 416701259 /nfs/dbraw/zinc/70/12/59/416701259.db2.gz WZWFQJCXYCXGSM-UHFFFAOYSA-N -1 0 310.317 0.802 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N(CC(F)F)C2CC2)C1 ZINC000385935112 417090899 /nfs/dbraw/zinc/09/08/99/417090899.db2.gz OYWPUNGHRIQLGX-MRVPVSSYSA-N -1 0 312.338 0.757 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCO2)CC[C@H]1C(=O)[O-] ZINC000527484158 417244525 /nfs/dbraw/zinc/24/45/25/417244525.db2.gz NFVQVHBDHUQCSW-GRYCIOLGSA-N -1 0 305.396 0.928 10 0 DCAERM CN(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000530143678 417542727 /nfs/dbraw/zinc/54/27/27/417542727.db2.gz ZAVOWNHDBHONHK-BBBLOLIVSA-N -1 0 304.368 0.020 10 0 DCAERM C/C=C/C[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000263256575 277745840 /nfs/dbraw/zinc/74/58/40/277745840.db2.gz IOSFUILWKSXEGC-UHHSMLKOSA-N -1 0 320.411 0.486 10 0 DCAERM CC1(C)NC(=O)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263401240 281381837 /nfs/dbraw/zinc/38/18/37/281381837.db2.gz SDSXJJRMHHONBJ-XMZIXOGTSA-N -1 0 323.393 0.940 10 0 DCAERM O=C([O-])CN(Cc1ccccc1)C(=O)NCCCn1ccnn1 ZINC000555845740 288363500 /nfs/dbraw/zinc/36/35/00/288363500.db2.gz ZBVVAKRNZMZEFJ-UHFFFAOYSA-N -1 0 317.349 0.965 10 0 DCAERM COc1ccccc1N1C[C@H](C(=O)N[C@@H](CF)C(=O)[O-])CC1=O ZINC000262994712 295373983 /nfs/dbraw/zinc/37/39/83/295373983.db2.gz QOZAQARLRXGJHM-ZJUUUORDSA-N -1 0 324.308 0.587 10 0 DCAERM COCC[C@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-] ZINC000214870465 332176849 /nfs/dbraw/zinc/17/68/49/332176849.db2.gz WCDRRAHDWINVQF-ZETCQYMHSA-N -1 0 307.290 0.738 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])C1 ZINC000380046101 341887727 /nfs/dbraw/zinc/88/77/27/341887727.db2.gz ZYENMNOKXSGXLF-YUMQZZPRSA-N -1 0 318.317 0.958 10 0 DCAERM COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)CC(=O)[O-])cc1 ZINC000147314589 522155429 /nfs/dbraw/zinc/15/54/29/522155429.db2.gz TWWCYFVXKWPJLE-SECBINFHSA-N -1 0 315.347 0.862 10 0 DCAERM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000228581483 524300227 /nfs/dbraw/zinc/30/02/27/524300227.db2.gz WSHZWXIJNUQFDC-CSMHCCOUSA-N -1 0 310.272 0.623 10 0 DCAERM C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262072198 525366988 /nfs/dbraw/zinc/36/69/88/525366988.db2.gz CMRSQPBFNGLORW-AMIZOPFISA-N -1 0 312.347 0.474 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC000225035719 545942655 /nfs/dbraw/zinc/94/26/55/545942655.db2.gz CVUDUSOJFMINIE-AXFHLTTASA-N -1 0 306.384 0.185 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](CC)C(=O)[O-] ZINC000249916108 545972976 /nfs/dbraw/zinc/97/29/76/545972976.db2.gz LRYNEXNXSLULFS-QWRGUYRKSA-N -1 0 320.411 0.418 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000251186959 545974186 /nfs/dbraw/zinc/97/41/86/545974186.db2.gz DTWKEOZQBQPNML-GMXVVIOVSA-N -1 0 320.411 0.670 10 0 DCAERM CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000262273413 545981800 /nfs/dbraw/zinc/98/18/00/545981800.db2.gz HKAXTGXBPQOTBI-GRYCIOLGSA-N -1 0 312.366 0.526 10 0 DCAERM NC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000675056440 547658633 /nfs/dbraw/zinc/65/86/33/547658633.db2.gz QEWNIPVGXYUODO-RYUDHWBXSA-N -1 0 306.318 0.974 10 0 DCAERM CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000757175900 658636617 /nfs/dbraw/zinc/63/66/17/658636617.db2.gz NSHWEKLIZXPPRT-YUMQZZPRSA-N -1 0 308.356 0.046 10 0 DCAERM CS(=O)(=O)CCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000221721380 661788231 /nfs/dbraw/zinc/78/82/31/661788231.db2.gz NOOQFSLVCZOFRQ-VWYCJHECSA-N -1 0 303.380 0.665 10 0 DCAERM CC(C)C[C@@H](CNS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000262500333 662424469 /nfs/dbraw/zinc/42/44/69/662424469.db2.gz XZFSKPCPTKFNQW-JTQLQIEISA-N -1 0 315.395 0.855 10 0 DCAERM CC(C)C[C@H](CNC(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000263036866 662618931 /nfs/dbraw/zinc/61/89/31/662618931.db2.gz IBSNYLXQFKQYOB-LLVKDONJSA-N -1 0 322.365 0.727 10 0 DCAERM CCn1nc(C)c(CC(=O)N2CCC[C@H]2c2nnn[n-]2)c1C ZINC000900397433 663240905 /nfs/dbraw/zinc/24/09/05/663240905.db2.gz VKLZYEVKODHJOP-LBPRGKRZSA-N -1 0 303.370 0.939 10 0 DCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H]1CSCCS1 ZINC000229582342 664605688 /nfs/dbraw/zinc/60/56/88/664605688.db2.gz TULLBQMRCFDCOE-ZCFIWIBFSA-N -1 0 323.421 0.235 10 0 DCAERM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)N3CCCCC3)cc21 ZINC000183535536 666062333 /nfs/dbraw/zinc/06/23/33/666062333.db2.gz DZPNDDSNSKIDGI-UHFFFAOYSA-N -1 0 323.378 0.429 10 0 DCAERM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c1C ZINC000734091268 666848041 /nfs/dbraw/zinc/84/80/41/666848041.db2.gz QSQZMXYODWNCBW-UHFFFAOYSA-N -1 0 302.352 0.644 10 0 DCAERM Cc1nn(C)c(C)c1CC(=O)NC[C@H](C(=O)[O-])C1CCOCC1 ZINC000864145190 667219433 /nfs/dbraw/zinc/21/94/33/667219433.db2.gz KLJYHERIJXIRAI-AWEZNQCLSA-N -1 0 323.393 0.823 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@H]2CCSC2)C1 ZINC000704922698 667267707 /nfs/dbraw/zinc/26/77/07/667267707.db2.gz KZKWGKQYEFVHIR-QWRGUYRKSA-N -1 0 322.452 0.761 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N(C)C[C@H]1CCn2ccnc2C1 ZINC000888329646 667296240 /nfs/dbraw/zinc/29/62/40/667296240.db2.gz GZPWSKABPYZSPU-JTQLQIEISA-N -1 0 304.358 0.038 10 0 DCAERM Cn1nccc1CCC(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000122753535 667677995 /nfs/dbraw/zinc/67/79/95/667677995.db2.gz YWKOALXPAGQWDX-UHFFFAOYSA-N -1 0 307.375 0.999 10 0 DCAERM CC(C)c1nc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC000886071963 667728311 /nfs/dbraw/zinc/72/83/11/667728311.db2.gz SMUONEOPFFGCMD-HNNXBMFYSA-N -1 0 324.381 0.554 10 0 DCAERM CCc1ocnc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886078372 667729690 /nfs/dbraw/zinc/72/96/90/667729690.db2.gz XJTLBMHAAQMWNQ-HNNXBMFYSA-N -1 0 323.349 0.239 10 0 DCAERM Cc1[nH]ccc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886096623 667731493 /nfs/dbraw/zinc/73/14/93/667731493.db2.gz GWAZCAGTOYKCMX-OAHLLOKOSA-N -1 0 307.350 0.325 10 0 DCAERM COCCS(=O)(=O)[N-]C(=O)c1c[nH]nc1-c1ccccc1 ZINC000155936403 669836891 /nfs/dbraw/zinc/83/68/91/669836891.db2.gz DKUDWEARASSENI-UHFFFAOYSA-N -1 0 309.347 0.783 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)C1 ZINC000712941484 670150892 /nfs/dbraw/zinc/15/08/92/670150892.db2.gz ISKJHDIHRLHDMO-LSCVPOLPSA-N -1 0 302.396 0.806 10 0 DCAERM COCCN1CCN(c2ncc(Cl)c(C(=O)[O-])n2)CC1 ZINC000757187574 670358686 /nfs/dbraw/zinc/35/86/86/670358686.db2.gz JOLRIABLRVMKDG-UHFFFAOYSA-N -1 0 300.746 0.597 10 0 DCAERM C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000399287258 685275802 /nfs/dbraw/zinc/27/58/02/685275802.db2.gz LCNNLXOYGUTCPI-VXNVDRBHSA-N -1 0 305.377 0.980 10 0 DCAERM CO[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000383650602 685243237 /nfs/dbraw/zinc/24/32/37/685243237.db2.gz NXNDODZUFIMTMK-SNVBAGLBSA-N -1 0 300.336 0.579 10 0 DCAERM CO[C@H](C(=O)NCc1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC000262365584 1157759276 /nfs/dbraw/zinc/75/92/76/1157759276.db2.gz WWAKMSQCMCTQFG-ZDUSSCGKSA-N -1 0 304.306 0.367 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCc2c(C)nn(C)c2C)C1 ZINC000237118298 1180811175 /nfs/dbraw/zinc/81/11/75/1180811175.db2.gz KDNRBEREIGBATR-DGCLKSJQSA-N -1 0 309.366 0.670 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC000262083838 1185160280 /nfs/dbraw/zinc/16/02/80/1185160280.db2.gz BNNSFZHWFMCCSU-AAEUAGOBSA-N -1 0 318.329 0.343 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)COc2cccc(C(C)=O)c2)C1 ZINC000262169564 1185163698 /nfs/dbraw/zinc/16/36/98/1185163698.db2.gz QILZEYXKVVUOHF-UONOGXRCSA-N -1 0 321.329 0.969 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)COc2cccc(C(C)=O)c2)C1 ZINC000262169561 1185163944 /nfs/dbraw/zinc/16/39/44/1185163944.db2.gz QILZEYXKVVUOHF-KGLIPLIRSA-N -1 0 321.329 0.969 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)Cc2ccc3c(c2)CCO3)nn1 ZINC000262805805 1185172306 /nfs/dbraw/zinc/17/23/06/1185172306.db2.gz NJOXZHQQZCFEKF-UHFFFAOYSA-N -1 0 316.317 0.157 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CSCC(F)(F)F)C1 ZINC000262913288 1185173782 /nfs/dbraw/zinc/17/37/82/1185173782.db2.gz HPWRDFKVBQIAQQ-BQBZGAKWSA-N -1 0 301.286 0.982 10 0 DCAERM CCCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](OC)C(=O)[O-] ZINC000263149157 1185176702 /nfs/dbraw/zinc/17/67/02/1185176702.db2.gz WSCOSUFJOICMDH-NXEZZACHSA-N -1 0 318.395 0.294 10 0 DCAERM Cc1nccc(N2CCN(c3cnc(C(=O)[O-])cn3)CC2)n1 ZINC000263431873 1185178529 /nfs/dbraw/zinc/17/85/29/1185178529.db2.gz TWSNNOJGVJCNDE-UHFFFAOYSA-N -1 0 300.322 0.600 10 0 DCAERM Cc1nc(N[C@H]2CCCN(S(C)(=O)=O)C2)sc1C(=O)[O-] ZINC000400209264 774023286 /nfs/dbraw/zinc/02/32/86/774023286.db2.gz DYPPIZIMVJKHPT-QMMMGPOBSA-N -1 0 319.408 0.986 10 0 DCAERM CC1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCOCC1 ZINC000689245413 954649945 /nfs/dbraw/zinc/64/99/45/954649945.db2.gz YOUOYJPIZHWIBG-JTQLQIEISA-N -1 0 306.384 0.187 10 0 DCAERM CCS(=O)(=O)C1(CNC(=O)N(C)CCCC(=O)[O-])CC1 ZINC000693533982 954766053 /nfs/dbraw/zinc/76/60/53/954766053.db2.gz UQNAPJUVQKQIEJ-UHFFFAOYSA-N -1 0 306.384 0.460 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000688525836 976182991 /nfs/dbraw/zinc/18/29/91/976182991.db2.gz DWZXUDXIJJHGRF-UHFFFAOYSA-N -1 0 300.336 0.287 10 0 DCAERM Cc1nc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c(C)s1 ZINC000692695013 976537599 /nfs/dbraw/zinc/53/75/99/976537599.db2.gz JFLJCBAFSRBWNY-SNVBAGLBSA-N -1 0 318.420 0.834 10 0 DCAERM CN(C(=O)NCC1([S@@](C)=O)CCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693028009 976569991 /nfs/dbraw/zinc/56/99/91/976569991.db2.gz DGCHWVCLGFGOJG-ZJNREGCTSA-N -1 0 302.396 0.792 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000694151990 976671148 /nfs/dbraw/zinc/67/11/48/976671148.db2.gz RTAMVQLUHZCFCE-KOLCDFICSA-N -1 0 301.320 0.824 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@@H]2CC23CCOCC3)c1 ZINC000694179306 976675983 /nfs/dbraw/zinc/67/59/83/976675983.db2.gz XUQZRLVLRWBPGC-SECBINFHSA-N -1 0 301.320 0.825 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCC[C@H](CCO)C2)c1 ZINC000694183675 976677558 /nfs/dbraw/zinc/67/75/58/976677558.db2.gz QRLZFFGGCNNFHA-SECBINFHSA-N -1 0 303.336 0.761 10 0 DCAERM O=C([O-])[C@H]1CN(CCS(=O)(=O)C2CCCCC2)CCO1 ZINC000699996736 976932282 /nfs/dbraw/zinc/93/22/82/976932282.db2.gz GHLYADUBYXTLPW-GFCCVEGCSA-N -1 0 305.396 0.519 10 0 DCAERM CNC(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cn1 ZINC000263129343 290626074 /nfs/dbraw/zinc/62/60/74/290626074.db2.gz XQYIZLNITKABCD-LOWVWBTDSA-N -1 0 317.345 0.767 10 0 DCAERM CCC(=O)Nn1c(=O)cc2[n-]n(-c3ncccn3)c(=O)c2c1C ZINC000072446266 191169296 /nfs/dbraw/zinc/16/92/96/191169296.db2.gz WUBBEXUVCYNAQZ-UHFFFAOYSA-N -1 0 314.305 0.059 10 0 DCAERM Cc1nc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c(C)s1 ZINC000180226563 237253476 /nfs/dbraw/zinc/25/34/76/237253476.db2.gz SUQONHDZDSQQHA-VIFPVBQESA-N -1 0 304.393 0.999 10 0 DCAERM O=C([O-])[C@H]1O[C@H](Oc2cccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O ZINC000006118685 181313805 /nfs/dbraw/zinc/31/38/05/181313805.db2.gz KEQWBZWOGRCILF-HAFSJTIUSA-N -1 0 320.297 0.111 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000164859524 291248048 /nfs/dbraw/zinc/24/80/48/291248048.db2.gz BJBAKRKDRKFRML-SKDRFNHKSA-N -1 0 307.368 0.502 10 0 DCAERM CO[C@H](C)c1nc(=NC(=O)c2cccc3ncnn32)s[n-]1 ZINC000572987515 291603829 /nfs/dbraw/zinc/60/38/29/291603829.db2.gz UOXRSSRMILFSTC-SSDOTTSWSA-N -1 0 304.335 0.962 10 0 DCAERM O=C([O-])Cn1cc(NC(=O)Cc2cn3ccsc3n2)cn1 ZINC000038030087 182971996 /nfs/dbraw/zinc/97/19/96/182971996.db2.gz FJSGAJIMVJJLAZ-UHFFFAOYSA-N -1 0 305.319 0.858 10 0 DCAERM C[C@@H](NC(=O)c1ccco1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043509242 183367815 /nfs/dbraw/zinc/36/78/15/183367815.db2.gz SNCNXPCUCYQFNJ-AMIZOPFISA-N -1 0 312.347 0.474 10 0 DCAERM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1sc(=O)[nH]c1C ZINC000061181539 184164744 /nfs/dbraw/zinc/16/47/44/184164744.db2.gz IWVXFTGJAUCKAR-ZCFIWIBFSA-N -1 0 308.381 0.619 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)n1 ZINC000333184769 252691369 /nfs/dbraw/zinc/69/13/69/252691369.db2.gz QOPQVNPAOOZHML-SSDOTTSWSA-N -1 0 312.355 0.708 10 0 DCAERM O=C([O-])c1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000262377214 304255866 /nfs/dbraw/zinc/25/58/66/304255866.db2.gz HQUKTHAHBPKMFL-SNVBAGLBSA-N -1 0 301.306 0.849 10 0 DCAERM C[C@@H]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)[C@@H]1C(=O)[O-] ZINC000261606366 296381198 /nfs/dbraw/zinc/38/11/98/296381198.db2.gz AJJDQTADWFSUHY-YGRLFVJLSA-N -1 0 320.345 0.876 10 0 DCAERM CCOC(=O)[C@H](NC(=O)CCC(=O)[O-])[C@H](O)c1ccccc1 ZINC000005796495 395682816 /nfs/dbraw/zinc/68/28/16/395682816.db2.gz IKWCZVUSNAJTRC-ZIAGYGMSSA-N -1 0 309.318 0.633 10 0 DCAERM CSCC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000036870651 395724719 /nfs/dbraw/zinc/72/47/19/395724719.db2.gz MCFIUWUOUIQIOR-IUCAKERBSA-N -1 0 309.409 0.134 10 0 DCAERM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccccc1F ZINC000040162407 395732869 /nfs/dbraw/zinc/73/28/69/395732869.db2.gz JREAMVNUZKULQV-JTQLQIEISA-N -1 0 313.310 0.523 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O ZINC000037462152 395727631 /nfs/dbraw/zinc/72/76/31/395727631.db2.gz DGBLJJPCOJCXCT-GMSGAONNSA-N -1 0 307.755 0.761 10 0 DCAERM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000044618492 395757124 /nfs/dbraw/zinc/75/71/24/395757124.db2.gz VCSSFAQLPWLMIT-JTQLQIEISA-N -1 0 300.336 0.269 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC(C)(C)O1 ZINC000045701402 395765359 /nfs/dbraw/zinc/76/53/59/395765359.db2.gz OFZKMUTWZJEORJ-ZETCQYMHSA-N -1 0 303.340 0.296 10 0 DCAERM C[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000111434758 395809068 /nfs/dbraw/zinc/80/90/68/395809068.db2.gz UAWULSAUOXOYAI-YIZRAAEISA-N -1 0 322.408 0.073 10 0 DCAERM O=C([O-])CCN1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)C1=O ZINC000048533055 395816489 /nfs/dbraw/zinc/81/64/89/395816489.db2.gz PDZSUJZBOFUWML-UXBLZVDNSA-N -1 0 304.258 0.864 10 0 DCAERM CSc1nn(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000194577572 395800392 /nfs/dbraw/zinc/80/03/92/395800392.db2.gz ASIRYSGDDFMZPO-ZJUUUORDSA-N -1 0 312.395 0.463 10 0 DCAERM CN1CC[C@@H](Nc2nc[n-]c(=O)c2I)C1 ZINC000165228342 396087651 /nfs/dbraw/zinc/08/76/51/396087651.db2.gz DFDMQIHLPHDUMX-ZCFIWIBFSA-N -1 0 320.134 0.491 10 0 DCAERM COCC1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000070081166 396099754 /nfs/dbraw/zinc/09/97/54/396099754.db2.gz GZCZBBARJQKZOK-UHFFFAOYSA-N -1 0 303.340 0.155 10 0 DCAERM CN(CC(=O)[O-])C(=O)CCNC(=O)N(C)Cc1ccccc1 ZINC000262452225 396141841 /nfs/dbraw/zinc/14/18/41/396141841.db2.gz PMGSZLWVUSBGGB-UHFFFAOYSA-N -1 0 307.350 0.761 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070556204 396102562 /nfs/dbraw/zinc/10/25/62/396102562.db2.gz BIWAVVGYAKIKPO-NXEZZACHSA-N -1 0 307.368 0.502 10 0 DCAERM O=C([O-])COCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160830466 396075471 /nfs/dbraw/zinc/07/54/71/396075471.db2.gz ORLDEKRRPVVENP-RISCZKNCSA-N -1 0 300.355 0.424 10 0 DCAERM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000261969413 396085217 /nfs/dbraw/zinc/08/52/17/396085217.db2.gz BGZOSTNCBHALEU-FRRDWIJNSA-N -1 0 324.377 0.195 10 0 DCAERM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)Cn2cccn2)CC1 ZINC000262950073 396193814 /nfs/dbraw/zinc/19/38/14/396193814.db2.gz ONAOVPQTCBGXPF-ZDUSSCGKSA-N -1 0 322.365 0.197 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1 ZINC000573652132 397191272 /nfs/dbraw/zinc/19/12/72/397191272.db2.gz WIAKAJHVDKNVIC-FZMZJTMJSA-N -1 0 309.343 0.984 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000384464646 397280951 /nfs/dbraw/zinc/28/09/51/397280951.db2.gz LJIRBXVUGSSMHS-VHSXEESVSA-N -1 0 301.368 0.777 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384944956 397282442 /nfs/dbraw/zinc/28/24/42/397282442.db2.gz QYDZNXXBJSKULX-GJMOJQLCSA-N -1 0 320.392 0.774 10 0 DCAERM COC[C@H](C)S(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000399637479 397314810 /nfs/dbraw/zinc/31/48/10/397314810.db2.gz FUBAWYOWIIAJIV-BQBZGAKWSA-N -1 0 308.381 0.857 10 0 DCAERM CC(C)C[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000094706373 158123145 /nfs/dbraw/zinc/12/31/45/158123145.db2.gz XLRDCRKFRVACMA-RYUDHWBXSA-N -1 0 301.387 0.363 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1cscn1 ZINC000134711285 158330224 /nfs/dbraw/zinc/33/02/24/158330224.db2.gz BYYSIHZSSDANDR-UHFFFAOYSA-N -1 0 319.389 0.865 10 0 DCAERM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCC1 ZINC000164856312 158363228 /nfs/dbraw/zinc/36/32/28/158363228.db2.gz IKGGOVZYRYRORQ-SSDOTTSWSA-N -1 0 308.256 0.521 10 0 DCAERM CN1C[C@H](C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])CC1=O ZINC000262163299 158779758 /nfs/dbraw/zinc/77/97/58/158779758.db2.gz PTALICQCWMSLNF-SKDRFNHKSA-N -1 0 324.308 0.252 10 0 DCAERM CCCNC(=O)CCCC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000262188170 158783268 /nfs/dbraw/zinc/78/32/68/158783268.db2.gz TZVLTLSZLHVMDD-QWRGUYRKSA-N -1 0 300.355 0.383 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCCC(=O)NC(C)C)C1 ZINC000262204771 158784528 /nfs/dbraw/zinc/78/45/28/158784528.db2.gz WQWSHWXNERLXRZ-WDEREUQCSA-N -1 0 300.355 0.382 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000263020613 158852965 /nfs/dbraw/zinc/85/29/65/158852965.db2.gz MCDVJZGKCYDWQV-GHMZBOCLSA-N -1 0 315.329 0.718 10 0 DCAERM Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nc(C)n1 ZINC000329083654 159060204 /nfs/dbraw/zinc/06/02/04/159060204.db2.gz SUYCQDUVLIHVDL-SNVBAGLBSA-N -1 0 302.338 0.937 10 0 DCAERM CO[C@H](C)c1nc(=N[C@@H]2CCN(c3cnn(C)c3)C2=O)s[n-]1 ZINC000367166063 159318588 /nfs/dbraw/zinc/31/85/88/159318588.db2.gz QYABYKGDBJJRGU-PSASIEDQSA-N -1 0 322.394 0.618 10 0 DCAERM CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408147212 160047742 /nfs/dbraw/zinc/04/77/42/160047742.db2.gz BAJQLNXBQDFOFH-QWRGUYRKSA-N -1 0 315.395 0.739 10 0 DCAERM CC(C)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408156662 160049338 /nfs/dbraw/zinc/04/93/38/160049338.db2.gz AMHDEYYWXXLPTD-NXEZZACHSA-N -1 0 313.379 0.763 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CCCO1 ZINC000408157920 160049673 /nfs/dbraw/zinc/04/96/73/160049673.db2.gz LIGSSWMNIDOMEA-GFCCVEGCSA-N -1 0 315.351 0.040 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)c(F)c1 ZINC000408205346 160060169 /nfs/dbraw/zinc/06/01/69/160060169.db2.gz KCFJJRHQVYYGNT-LLVKDONJSA-N -1 0 316.354 0.270 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)c2cccnc2)CO1 ZINC000408276247 160074501 /nfs/dbraw/zinc/07/45/01/160074501.db2.gz HOZNFYFHTBBJAE-UHFFFAOYSA-N -1 0 314.363 0.676 10 0 DCAERM C[C@H]1CCCN(C(=O)C(=O)NC2(c3nnn[n-]3)CCCC2)C1 ZINC000408440113 160108260 /nfs/dbraw/zinc/10/82/60/160108260.db2.gz YHFCYPXEWZWIKW-JTQLQIEISA-N -1 0 306.370 0.344 10 0 DCAERM C[C@H](C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1)N1CCOCC1 ZINC000408469160 160114403 /nfs/dbraw/zinc/11/44/03/160114403.db2.gz OYZGZCPBTQKMGV-MNOVXSKESA-N -1 0 310.354 0.202 10 0 DCAERM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)c1 ZINC000408477071 160116991 /nfs/dbraw/zinc/11/69/91/160116991.db2.gz NIQDXVPOHIQBOB-AWEZNQCLSA-N -1 0 310.375 0.716 10 0 DCAERM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)s1 ZINC000408482885 160117818 /nfs/dbraw/zinc/11/78/18/160117818.db2.gz VONXIVYJQFIEQD-NSHDSACASA-N -1 0 317.392 0.173 10 0 DCAERM CC[C@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408482687 160117859 /nfs/dbraw/zinc/11/78/59/160117859.db2.gz LCPPFKGLZOZIHC-GHMZBOCLSA-N -1 0 301.368 0.430 10 0 DCAERM Cn1cc(C(=O)[N-]S(=O)(=O)C2CCC2)c([C@@H]2CCOC2)n1 ZINC000408485121 160118350 /nfs/dbraw/zinc/11/83/50/160118350.db2.gz OGNKZDSOJQXSRU-SECBINFHSA-N -1 0 313.379 0.536 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@H](C)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000399718698 287231082 /nfs/dbraw/zinc/23/10/82/287231082.db2.gz HLRYZKICUBBEMU-KOLCDFICSA-N -1 0 303.384 0.927 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092436464 415539463 /nfs/dbraw/zinc/53/94/63/415539463.db2.gz OWLCWQWVGJUMCL-UHFFFAOYSA-N -1 0 321.273 0.218 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])c1 ZINC000092890002 415542882 /nfs/dbraw/zinc/54/28/82/415542882.db2.gz QBUCTTCOSAPBHA-MRVPVSSYSA-N -1 0 307.397 0.388 10 0 DCAERM C[C@@H](NC(=O)c1ccccc1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357051531 416026722 /nfs/dbraw/zinc/02/67/22/416026722.db2.gz JDVYBEJRUSUREV-SECBINFHSA-N -1 0 300.322 0.124 10 0 DCAERM CCCCC(=O)N1CSC[C@@H]1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357076685 416029641 /nfs/dbraw/zinc/02/96/41/416029641.db2.gz MKCCFTHFUCFWIK-SECBINFHSA-N -1 0 324.410 0.397 10 0 DCAERM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000175556054 416108688 /nfs/dbraw/zinc/10/86/88/416108688.db2.gz JRHIEFOEFPQRID-GXSJLCMTSA-N -1 0 314.345 0.697 10 0 DCAERM COc1nc(NC(=O)c2cnc3cc(C)ccn3c2=O)n[n-]1 ZINC000179377374 416187263 /nfs/dbraw/zinc/18/72/63/416187263.db2.gz MJOLROIFADWHGM-UHFFFAOYSA-N -1 0 300.278 0.382 10 0 DCAERM CNC(=O)Cn1cc(NC(=O)c2c([O-])cc(F)cc2F)cn1 ZINC000195306819 416325853 /nfs/dbraw/zinc/32/58/53/416325853.db2.gz LRYGSGBUHSLYLE-UHFFFAOYSA-N -1 0 310.260 0.865 10 0 DCAERM COc1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cc1OC ZINC000434871060 416501851 /nfs/dbraw/zinc/50/18/51/416501851.db2.gz UMECHTJQUKUCLZ-UHFFFAOYSA-N -1 0 305.290 0.755 10 0 DCAERM CNc1nc(N2CCO[C@H](CC(=O)[O-])C2)nc2ccccc21 ZINC000584843028 416515592 /nfs/dbraw/zinc/51/55/92/416515592.db2.gz LMXHEXXBITWJMH-SNVBAGLBSA-N -1 0 302.334 1.351 10 0 DCAERM CC(=O)N1CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[C@H](C)C1 ZINC000424405020 416640551 /nfs/dbraw/zinc/64/05/51/416640551.db2.gz DBNNYYQWVFQWPZ-DGCLKSJQSA-N -1 0 313.398 0.996 10 0 DCAERM C[C@@H]1CCN(C(=O)NCC2([S@@](C)=O)CC2)C[C@H]1C(=O)[O-] ZINC000517560684 416807873 /nfs/dbraw/zinc/80/78/73/416807873.db2.gz SSZLBGDSVNLFPB-ODXZIHIVSA-N -1 0 302.396 0.650 10 0 DCAERM CN(CCOCc1ccccc1)C(=O)NCCOCC(=O)[O-] ZINC000383636652 417090908 /nfs/dbraw/zinc/09/09/08/417090908.db2.gz YXVKAQDAJAXLIU-UHFFFAOYSA-N -1 0 310.350 0.946 10 0 DCAERM C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000448987185 417115758 /nfs/dbraw/zinc/11/57/58/417115758.db2.gz APNBRFQOTNGZGH-BDJLRTHQSA-N -1 0 320.345 0.555 10 0 DCAERM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000526944566 417191715 /nfs/dbraw/zinc/19/17/15/417191715.db2.gz VIKFPCXZVCMJCE-AEJSXWLSSA-N -1 0 307.368 0.168 10 0 DCAERM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000569083791 417209337 /nfs/dbraw/zinc/20/93/37/417209337.db2.gz WUDBHLIZWODDNK-TUAOUCFPSA-N -1 0 324.381 0.800 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCO2)CC[C@H]1C(=O)[O-] ZINC000527484159 417246133 /nfs/dbraw/zinc/24/61/33/417246133.db2.gz NFVQVHBDHUQCSW-IJLUTSLNSA-N -1 0 305.396 0.928 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000530152592 417545881 /nfs/dbraw/zinc/54/58/81/417545881.db2.gz XWTJAWLEUGEGSC-PWSUYJOCSA-N -1 0 306.384 0.139 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c1 ZINC000629307460 417777101 /nfs/dbraw/zinc/77/71/01/417777101.db2.gz YSMFYXXFYMWGKA-SSDOTTSWSA-N -1 0 309.294 0.386 10 0 DCAERM COc1ccncc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000663226691 418001961 /nfs/dbraw/zinc/00/19/61/418001961.db2.gz KOGZSSXGSLWKHA-CHWSQXEVSA-N -1 0 319.361 0.786 10 0 DCAERM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000037591714 287585668 /nfs/dbraw/zinc/58/56/68/287585668.db2.gz BEOIXBNCAYQVCX-GARJFASQSA-N -1 0 308.400 0.526 10 0 DCAERM O=C(c1cc(F)c(F)c([O-])c1F)N1CCN2CCOC[C@H]2C1 ZINC000363862450 262135065 /nfs/dbraw/zinc/13/50/65/262135065.db2.gz JBZABAASSSGOFS-MRVPVSSYSA-N -1 0 316.279 0.966 10 0 DCAERM CN(C(=O)N[C@H](C(=O)[O-])C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000399137226 271219077 /nfs/dbraw/zinc/21/90/77/271219077.db2.gz VKIJNUCLPMXZKL-UWVGGRQHSA-N -1 0 304.368 0.068 10 0 DCAERM CC(C)(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262736725 278477496 /nfs/dbraw/zinc/47/74/96/278477496.db2.gz HUMZBBZXQPJPOG-GXSJLCMTSA-N -1 0 321.395 0.196 10 0 DCAERM CC(C)C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000094706372 279154118 /nfs/dbraw/zinc/15/41/18/279154118.db2.gz XLRDCRKFRVACMA-VXGBXAGGSA-N -1 0 301.387 0.363 10 0 DCAERM COC(=O)CCN(C)S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000548243553 288124438 /nfs/dbraw/zinc/12/44/38/288124438.db2.gz TVYTYZOPQWAXNJ-UHFFFAOYSA-N -1 0 316.335 0.536 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000551996650 288256661 /nfs/dbraw/zinc/25/66/61/288256661.db2.gz CCVIKXLCLRTMFD-JGVFFNPUSA-N -1 0 318.317 0.958 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000213825681 288430632 /nfs/dbraw/zinc/43/06/32/288430632.db2.gz DTWKEOZQBQPNML-NTZNESFSSA-N -1 0 320.411 0.670 10 0 DCAERM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1(C)C ZINC000267656228 294140365 /nfs/dbraw/zinc/14/03/65/294140365.db2.gz XEXMUZZGOILRIZ-BMIGLBTASA-N -1 0 309.366 0.762 10 0 DCAERM C[C@H]1CN2CCCC[C@@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC000261754347 300307964 /nfs/dbraw/zinc/30/79/64/300307964.db2.gz NEPXLFIXMRYILJ-NWDGAFQWSA-N -1 0 304.412 0.044 10 0 DCAERM Cc1cc2c(cc1S(=O)(=O)N[C@H](C)C(=O)[O-])OCC(=O)N2 ZINC000032917705 301452446 /nfs/dbraw/zinc/45/24/46/301452446.db2.gz KFYGGVGYUGILEP-SSDOTTSWSA-N -1 0 314.319 0.077 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000195425807 304759880 /nfs/dbraw/zinc/75/98/80/304759880.db2.gz FKSVNFGARRMEJK-BDAKNGLRSA-N -1 0 302.318 0.884 10 0 DCAERM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000037418276 337363499 /nfs/dbraw/zinc/36/34/99/337363499.db2.gz AUMZNXUIGGHLHY-SSDOTTSWSA-N -1 0 324.717 0.086 10 0 DCAERM CN(C1CCCCC1)S(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000037463164 337364008 /nfs/dbraw/zinc/36/40/08/337364008.db2.gz XHCBPCCHZJBGAK-SNVBAGLBSA-N -1 0 308.425 0.955 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)NC[C@H](C)CC(=O)[O-])c1 ZINC000147235034 522247299 /nfs/dbraw/zinc/24/72/99/522247299.db2.gz GGUSQPKDMCDIFT-SECBINFHSA-N -1 0 315.347 0.862 10 0 DCAERM COc1ccc(CCNC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000267669611 523972652 /nfs/dbraw/zinc/97/26/52/523972652.db2.gz JMKFUDLDOPNWNI-UHFFFAOYSA-N -1 0 303.318 0.467 10 0 DCAERM CN1C[C@@H](C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC1=O ZINC000262954816 524006409 /nfs/dbraw/zinc/00/64/09/524006409.db2.gz RBDVRFDOWUPSRN-CMPLNLGQSA-N -1 0 308.309 0.588 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000237396997 524119507 /nfs/dbraw/zinc/11/95/07/524119507.db2.gz IZVZLPCXSGTFLR-SNVBAGLBSA-N -1 0 303.322 0.710 10 0 DCAERM O=C([O-])C1(NC(=O)Cn2nnc(-c3ccccc3)n2)CCC1 ZINC000237939227 527555943 /nfs/dbraw/zinc/55/59/43/527555943.db2.gz QPHSAVFVRSZTNS-UHFFFAOYSA-N -1 0 301.306 0.464 10 0 DCAERM CC1(C)CC[C@H](CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)O1 ZINC000187342299 529042900 /nfs/dbraw/zinc/04/29/00/529042900.db2.gz UVPDADQBRIJRFO-SECBINFHSA-N -1 0 318.333 0.299 10 0 DCAERM C[C@H]1CN(Cc2nsc(C(=O)[O-])n2)C[C@H](C)S1(=O)=O ZINC000675055161 547657771 /nfs/dbraw/zinc/65/77/71/547657771.db2.gz NVVITHSOYWWOCP-BQBZGAKWSA-N -1 0 305.381 0.244 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cccn2C)cc1 ZINC000180112766 665422592 /nfs/dbraw/zinc/42/25/92/665422592.db2.gz QDSBXBDQNAFXNA-UHFFFAOYSA-N -1 0 321.358 0.503 10 0 DCAERM O=C([O-])CCCS(=O)(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723742250 657489777 /nfs/dbraw/zinc/48/97/77/657489777.db2.gz YHDVTULYRMUBRL-DGCLKSJQSA-N -1 0 305.396 0.976 10 0 DCAERM CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000724191729 658043323 /nfs/dbraw/zinc/04/33/23/658043323.db2.gz HNTZGNODBLJWON-NKWVEPMBSA-N -1 0 306.365 0.639 10 0 DCAERM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000181900221 659085721 /nfs/dbraw/zinc/08/57/21/659085721.db2.gz NQGKFYXAJCNQMB-RKDXNWHRSA-N -1 0 302.352 0.642 10 0 DCAERM CCN(C(=O)c1cc(C(=O)[O-])co1)[C@H]1CCS(=O)(=O)C1 ZINC000262339396 662335025 /nfs/dbraw/zinc/33/50/25/662335025.db2.gz CDYFETOATICQHI-VIFPVBQESA-N -1 0 301.320 0.627 10 0 DCAERM CN(C)S(=O)(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] ZINC000170307605 663792767 /nfs/dbraw/zinc/79/27/67/663792767.db2.gz LRAGGEZXUWOICB-CYBMUJFWSA-N -1 0 323.374 0.786 10 0 DCAERM CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cncn2)c1 ZINC000153854355 665059838 /nfs/dbraw/zinc/05/98/38/665059838.db2.gz RGFSIPYRYWQGFD-UHFFFAOYSA-N -1 0 323.378 0.584 10 0 DCAERM COCCCCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCC2 ZINC000184572421 666232601 /nfs/dbraw/zinc/23/26/01/666232601.db2.gz ZQMVEQSAOIFBRX-UHFFFAOYSA-N -1 0 315.395 0.775 10 0 DCAERM CCn1c(=O)c2ccc(C(=O)N3CC(CO)C3)cc2[n-]c1=S ZINC000186988217 666669000 /nfs/dbraw/zinc/66/90/00/666669000.db2.gz YRUPKZOUPLJUDN-UHFFFAOYSA-N -1 0 319.386 0.769 10 0 DCAERM CC[S@@](=O)CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000733879903 666823631 /nfs/dbraw/zinc/82/36/31/666823631.db2.gz SDEUDHJKTBEOGA-LJQANCHMSA-N -1 0 318.420 0.557 10 0 DCAERM O=C([O-])c1csc(S(=O)(=O)N2CC3(C2)CCCO3)c1 ZINC000702869578 667005401 /nfs/dbraw/zinc/00/54/01/667005401.db2.gz UQGDZZLCHWQRDQ-UHFFFAOYSA-N -1 0 303.361 1.000 10 0 DCAERM CCN1CC[C@@H]1C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000710183828 667445941 /nfs/dbraw/zinc/44/59/41/667445941.db2.gz IWSXZVUMCDUXMA-MRVPVSSYSA-N -1 0 319.408 0.302 10 0 DCAERM COc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccnn2C)cc1 ZINC000122710259 667672841 /nfs/dbraw/zinc/67/28/41/667672841.db2.gz XVXZLNYRJRBMTE-UHFFFAOYSA-N -1 0 323.374 0.866 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)O1 ZINC000124084438 667896259 /nfs/dbraw/zinc/89/62/59/667896259.db2.gz TXKKOIIERBMBPV-MFKMUULPSA-N -1 0 310.375 0.978 10 0 DCAERM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)C2)cc1F ZINC000128944182 669323660 /nfs/dbraw/zinc/32/36/60/669323660.db2.gz XGOYOULPOKFKAN-ZETCQYMHSA-N -1 0 318.301 0.214 10 0 DCAERM CCc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)oc1CC ZINC000129370099 669439043 /nfs/dbraw/zinc/43/90/43/669439043.db2.gz JSQWIBYHJMVEGH-UHFFFAOYSA-N -1 0 316.379 0.711 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCO[C@@H]1C ZINC000192186248 670136317 /nfs/dbraw/zinc/13/63/17/670136317.db2.gz XHCTVKGNFPGESP-PSASIEDQSA-N -1 0 302.352 0.911 10 0 DCAERM CCCCS(=O)(=O)[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000192428732 670163540 /nfs/dbraw/zinc/16/35/40/670163540.db2.gz DUNJJDWVYYFJCF-UHFFFAOYSA-N -1 0 304.328 0.671 10 0 DCAERM COC[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000189843348 670165605 /nfs/dbraw/zinc/16/56/05/670165605.db2.gz GKPSJSQXNAGVDF-ZETCQYMHSA-N -1 0 311.310 0.236 10 0 DCAERM C[C@H](Cc1ccccc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000193201739 670251351 /nfs/dbraw/zinc/25/13/51/670251351.db2.gz GZQYZPFHIPFLBQ-LLVKDONJSA-N -1 0 312.391 0.447 10 0 DCAERM CCCCN(C)S(=O)(=O)NCc1ncc(C(=O)[O-])s1 ZINC000720652754 685314405 /nfs/dbraw/zinc/31/44/05/685314405.db2.gz RBEKGACAXQXCNN-UHFFFAOYSA-N -1 0 307.397 0.908 10 0 DCAERM O=C([O-])c1nc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cs1 ZINC000721438662 685318877 /nfs/dbraw/zinc/31/88/77/685318877.db2.gz YJFSJQXYRMVOSI-SECBINFHSA-N -1 0 310.253 0.981 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC000721763924 685318915 /nfs/dbraw/zinc/31/89/15/685318915.db2.gz NUOIWDPEUSXHDV-FJXKBIBVSA-N -1 0 319.770 0.415 10 0 DCAERM COCCCOC1CN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000176500670 685145700 /nfs/dbraw/zinc/14/57/00/685145700.db2.gz VJSYPNIYMUINBL-UHFFFAOYSA-N -1 0 317.345 0.801 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C2CC2)cc1 ZINC000180105650 685151187 /nfs/dbraw/zinc/15/11/87/685151187.db2.gz MXGIQARAKPUUNB-SECBINFHSA-N -1 0 310.375 0.897 10 0 DCAERM Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386499124 685249267 /nfs/dbraw/zinc/24/92/67/685249267.db2.gz UEVNGIFDYXQKED-LBPRGKRZSA-N -1 0 319.766 0.859 10 0 DCAERM CC[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](C)O ZINC000395650562 1157952289 /nfs/dbraw/zinc/95/22/89/1157952289.db2.gz KIEXKCMCOBYCTK-CBAPKCEASA-N -1 0 304.324 0.738 10 0 DCAERM O=C([O-])C1(NC(=O)CCn2nc3ccccn3c2=O)CCCC1 ZINC000237929034 1181268526 /nfs/dbraw/zinc/26/85/26/1181268526.db2.gz MJQGPKRUUFSEGF-UHFFFAOYSA-N -1 0 318.333 0.400 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000262075814 1185160572 /nfs/dbraw/zinc/16/05/72/1185160572.db2.gz AAOHXSAHBCKSHP-ZJUUUORDSA-N -1 0 300.355 0.239 10 0 DCAERM COc1cccc(OC)c1CC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000262103841 1185162796 /nfs/dbraw/zinc/16/27/96/1185162796.db2.gz FTPRXICATRVUTC-JQWIXIFHSA-N -1 0 323.345 0.947 10 0 DCAERM Cc1ccc(OCC(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000262364163 1185166688 /nfs/dbraw/zinc/16/66/88/1185166688.db2.gz WRYKTZFPFQLYAX-UHFFFAOYSA-N -1 0 304.306 0.366 10 0 DCAERM C[C@H](C(=O)NCc1cn(CC(=O)[O-])nn1)c1cccc(F)c1 ZINC000262820791 1185172101 /nfs/dbraw/zinc/17/21/01/1185172101.db2.gz PQCCZAAOHQSPKP-VIFPVBQESA-N -1 0 306.297 0.922 10 0 DCAERM CO[C@H](CNC(=O)C[C@H](NC(C)=O)c1ccccc1)C(=O)[O-] ZINC000263152316 1185177184 /nfs/dbraw/zinc/17/71/84/1185177184.db2.gz XCCLOUZPNBTCHB-QWHCGFSZSA-N -1 0 308.334 0.470 10 0 DCAERM CC[C@H](C)C[C@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000400467905 772729691 /nfs/dbraw/zinc/72/96/91/772729691.db2.gz VQXBXALAGYVTSK-UWVGGRQHSA-N -1 0 309.384 0.748 10 0 DCAERM Cc1nc(NC2CCN(S(C)(=O)=O)CC2)sc1C(=O)[O-] ZINC000400201738 774023575 /nfs/dbraw/zinc/02/35/75/774023575.db2.gz FWKHLAHFWFPTIG-UHFFFAOYSA-N -1 0 319.408 0.986 10 0 DCAERM Cn1cc(Br)c(C(=O)NCC2(C(=O)[O-])CC2)n1 ZINC000693065650 976586612 /nfs/dbraw/zinc/58/66/12/976586612.db2.gz MGCRZMFOBNNGBO-UHFFFAOYSA-N -1 0 302.128 0.777 10 0 DCAERM O=C([O-])C1(C(=O)NCCN2CCSCC2)CCOCC1 ZINC000689344329 954656615 /nfs/dbraw/zinc/65/66/15/954656615.db2.gz HKSSHWDLRSTQHD-UHFFFAOYSA-N -1 0 302.396 0.033 10 0 DCAERM CN(C[C@@H](O)C1CC1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000690252175 976282944 /nfs/dbraw/zinc/28/29/44/976282944.db2.gz OPFHWQAAXMUZOC-MRVPVSSYSA-N -1 0 305.377 0.838 10 0 DCAERM CCOC(=O)CCS(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000690464361 976300247 /nfs/dbraw/zinc/30/02/47/976300247.db2.gz OGXBUXLODBSHCM-JTQLQIEISA-N -1 0 307.368 0.360 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CO[C@H](C3CC3)C2)c[nH]1 ZINC000691316272 976354106 /nfs/dbraw/zinc/35/41/06/976354106.db2.gz HIGZIPLUOCNIFV-KWQFWETISA-N -1 0 300.336 0.559 10 0 DCAERM C[C@@H](O)CN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000691511170 976359023 /nfs/dbraw/zinc/35/90/23/976359023.db2.gz IBYMURLOLVOBRP-SSDOTTSWSA-N -1 0 305.377 0.980 10 0 DCAERM Cn1ncc(Br)c1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000693072320 976587955 /nfs/dbraw/zinc/58/79/55/976587955.db2.gz XZRZMRYHEUNPEC-SNVBAGLBSA-N -1 0 318.127 0.156 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@@H](CO)C2CCCC2)c1 ZINC000694171237 976674961 /nfs/dbraw/zinc/67/49/61/976674961.db2.gz CQEAHXICYLWTRB-JTQLQIEISA-N -1 0 303.336 0.807 10 0 DCAERM C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694209064 976681122 /nfs/dbraw/zinc/68/11/22/976681122.db2.gz LQUQUXGLWYOWQA-LWESTGQBSA-N -1 0 309.365 0.365 10 0 DCAERM C[C@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])co1)C(F)(F)F ZINC000698618885 976896933 /nfs/dbraw/zinc/89/69/33/976896933.db2.gz LBPOCGZTKQOZDZ-QMMMGPOBSA-N -1 0 317.241 0.569 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092436378 185318064 /nfs/dbraw/zinc/31/80/64/185318064.db2.gz YWPHWYFLZFZEAR-UHFFFAOYSA-N -1 0 316.257 0.929 10 0 DCAERM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@]1(C(F)(F)F)CCOC1 ZINC000408066646 295702143 /nfs/dbraw/zinc/70/21/43/295702143.db2.gz APKNOAURPTUABJ-CBAPKCEASA-N -1 0 318.317 0.104 10 0 DCAERM CS(=O)(=O)N1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000036884581 545645727 /nfs/dbraw/zinc/64/57/27/545645727.db2.gz CQAZKVPFOKZAHG-NSHDSACASA-N -1 0 318.395 0.124 10 0 DCAERM C[C@]12CCC(=O)N1[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)CS2 ZINC000036884331 545646051 /nfs/dbraw/zinc/64/60/51/545646051.db2.gz WPUBYYVZUZAQMC-YGRLFVJLSA-N -1 0 312.391 0.764 10 0 DCAERM CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)CCC(=O)[O-])CC1 ZINC000070309881 190879726 /nfs/dbraw/zinc/87/97/26/190879726.db2.gz KHWJHOBLOKNZNL-JTQLQIEISA-N -1 0 320.411 0.418 10 0 DCAERM CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)CCC(=O)[O-])CC1 ZINC000070309882 190879830 /nfs/dbraw/zinc/87/98/30/190879830.db2.gz KHWJHOBLOKNZNL-SNVBAGLBSA-N -1 0 320.411 0.418 10 0 DCAERM O=C([O-])c1ccn(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)n1 ZINC000073736123 191349775 /nfs/dbraw/zinc/34/97/75/191349775.db2.gz JFDDOLISCXYMSA-UHFFFAOYSA-N -1 0 320.286 0.055 10 0 DCAERM C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000155625018 291221157 /nfs/dbraw/zinc/22/11/57/291221157.db2.gz BKVYOTGLLOVBOX-NXEZZACHSA-N -1 0 301.368 0.921 10 0 DCAERM NC(=O)CCN(Cc1ccccc1)C(=O)CSCC(=O)[O-] ZINC000157903774 291230099 /nfs/dbraw/zinc/23/00/99/291230099.db2.gz ZHAWKDXBWOJJOV-UHFFFAOYSA-N -1 0 310.375 0.708 10 0 DCAERM CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000006827938 181395406 /nfs/dbraw/zinc/39/54/06/181395406.db2.gz FPOILUAOCPQDLH-BQYQJAHWSA-N -1 0 312.347 0.953 10 0 DCAERM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263541766 291380650 /nfs/dbraw/zinc/38/06/50/291380650.db2.gz DIDIQSRNOXVYKJ-UTLUCORTSA-N -1 0 305.352 0.207 10 0 DCAERM O=C(NCc1ccco1)C1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015732527 182014357 /nfs/dbraw/zinc/01/43/57/182014357.db2.gz BWVCDWDYJPBBPM-UHFFFAOYSA-N -1 0 305.315 0.918 10 0 DCAERM O=C([O-])Cc1csc(NC(=O)CN2C(=O)CSC2=O)n1 ZINC000016905340 182064210 /nfs/dbraw/zinc/06/42/10/182064210.db2.gz VJMUBGIFXVWUAF-UHFFFAOYSA-N -1 0 315.332 0.404 10 0 DCAERM NC(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccc(Br)cc1 ZINC000019423372 182122757 /nfs/dbraw/zinc/12/27/57/182122757.db2.gz VTTODBKYIBBBDU-SECBINFHSA-N -1 0 312.123 0.954 10 0 DCAERM NC(=O)CC[C@H](NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000020305081 182204976 /nfs/dbraw/zinc/20/49/76/182204976.db2.gz LWNCFEPQGNYAFP-JTQLQIEISA-N -1 0 316.716 0.857 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])s2)CCO1 ZINC000021029715 182262511 /nfs/dbraw/zinc/26/25/11/182262511.db2.gz KAKYNINCKKCQNG-MRVPVSSYSA-N -1 0 305.377 0.785 10 0 DCAERM CCC[C@@](C)(NS(=O)(=O)c1sc(=O)[nH]c1C)C(=O)[O-] ZINC000036339963 182817327 /nfs/dbraw/zinc/81/73/27/182817327.db2.gz BXXNBIYWQGOCRT-SNVBAGLBSA-N -1 0 308.381 0.667 10 0 DCAERM Cc1ncc(CN(CC(=O)[O-])[C@H]2CCS(=O)(=O)C2)s1 ZINC000062336995 184230880 /nfs/dbraw/zinc/23/08/80/184230880.db2.gz JFCDLCSJQVXVQM-VIFPVBQESA-N -1 0 304.393 0.525 10 0 DCAERM COc1cccc(NC(=O)CSc2nc([O-])cc(=O)[nH]2)c1 ZINC000104609577 257121739 /nfs/dbraw/zinc/12/17/39/257121739.db2.gz DEEPFCWLRPLYNN-UHFFFAOYSA-N -1 0 307.331 0.769 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])C[C@H](C)O1 ZINC000134660940 545801573 /nfs/dbraw/zinc/80/15/73/545801573.db2.gz DWNFEWLKHUKXKS-BQBZGAKWSA-N -1 0 306.365 0.639 10 0 DCAERM CCn1cc(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])nc1C ZINC000089426541 395711580 /nfs/dbraw/zinc/71/15/80/395711580.db2.gz CYWOGBXUIWIRNP-GHMZBOCLSA-N -1 0 315.395 0.991 10 0 DCAERM CC(C)(CNC(=O)Cn1[n-]c(=O)ccc1=O)c1ccccc1 ZINC000089761747 395714912 /nfs/dbraw/zinc/71/49/12/395714912.db2.gz FPGHPDUGZAODCE-UHFFFAOYSA-N -1 0 301.346 0.631 10 0 DCAERM O=C([O-])c1csc(CNS(=O)(=O)N2CCCCC2)n1 ZINC000090932917 395720010 /nfs/dbraw/zinc/72/00/10/395720010.db2.gz FFBWVYZJMQYVOG-UHFFFAOYSA-N -1 0 305.381 0.662 10 0 DCAERM CCCCN(C)S(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000090942205 395720177 /nfs/dbraw/zinc/72/01/77/395720177.db2.gz CPHXPXVHTYXWEB-UHFFFAOYSA-N -1 0 321.424 0.950 10 0 DCAERM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000044617753 395757253 /nfs/dbraw/zinc/75/72/53/395757253.db2.gz PWHXBXKSGOQCQV-JTQLQIEISA-N -1 0 313.335 0.340 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000133244943 395928965 /nfs/dbraw/zinc/92/89/65/395928965.db2.gz YDSPCFSOWRCENZ-RQJHMYQMSA-N -1 0 321.376 0.922 10 0 DCAERM COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000133261582 395929325 /nfs/dbraw/zinc/92/93/25/395929325.db2.gz CNCFIKLZTQSYAI-IUCAKERBSA-N -1 0 315.347 0.861 10 0 DCAERM C[C@@H]1CCCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130823343 395924086 /nfs/dbraw/zinc/92/40/86/395924086.db2.gz FMIFPYAONOFRDA-KOLCDFICSA-N -1 0 316.383 0.255 10 0 DCAERM C[C@@H](O)CCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000136081589 395944184 /nfs/dbraw/zinc/94/41/84/395944184.db2.gz HXTBIHNLKRYYJR-MRVPVSSYSA-N -1 0 304.343 0.698 10 0 DCAERM CN(C(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000250443796 396014589 /nfs/dbraw/zinc/01/45/89/396014589.db2.gz UKZVTCSIHLEQHX-MXWKQRLJSA-N -1 0 318.395 0.458 10 0 DCAERM CCCC[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000262384420 396133401 /nfs/dbraw/zinc/13/34/01/396133401.db2.gz HMSVDFVJOAXYGT-VIFPVBQESA-N -1 0 301.368 0.751 10 0 DCAERM COCC(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000261896446 396077482 /nfs/dbraw/zinc/07/74/82/396077482.db2.gz GBSCWJRRHMJNJJ-UHFFFAOYSA-N -1 0 312.347 0.377 10 0 DCAERM CCCC(=O)NCC(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000262699964 396174048 /nfs/dbraw/zinc/17/40/48/396174048.db2.gz BXWZERQTFXFXQR-UHFFFAOYSA-N -1 0 322.361 0.725 10 0 DCAERM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000192033096 396428611 /nfs/dbraw/zinc/42/86/11/396428611.db2.gz OIAWIQSQDIGZDL-NEPJUHHUSA-N -1 0 316.423 0.785 10 0 DCAERM O=C([O-])C1=CN=C2N=CC(I)=CN2[C@H]1O ZINC000585656091 396648582 /nfs/dbraw/zinc/64/85/82/396648582.db2.gz FTAZZFMJASCCCE-LURJTMIESA-N -1 0 319.058 0.306 10 0 DCAERM CCCN(CCC)S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000328364499 396822481 /nfs/dbraw/zinc/82/24/81/396822481.db2.gz PKBNBTCLSBESPO-MNOVXSKESA-N -1 0 308.400 0.527 10 0 DCAERM COC(=O)Cc1c[n-]n(-c2ncc(Br)cn2)c1=O ZINC000601934060 397271202 /nfs/dbraw/zinc/27/12/02/397271202.db2.gz JFDFILHZPOGMLV-LURJTMIESA-N -1 0 313.111 0.751 10 0 DCAERM O=S(=O)(CC(F)(F)F)[N-][C@H]1CCO[C@]2(CCOC2)C1 ZINC000408315504 397352857 /nfs/dbraw/zinc/35/28/57/397352857.db2.gz IHTARTQONQPNPN-DTWKUNHWSA-N -1 0 303.302 0.806 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)[C@H](O)Cc1ccccc1Cl ZINC000579060630 397518827 /nfs/dbraw/zinc/51/88/27/397518827.db2.gz SJVMQIFFWJVOLU-SNVBAGLBSA-N -1 0 307.741 0.562 10 0 DCAERM O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1cccs1 ZINC000123603578 158231437 /nfs/dbraw/zinc/23/14/37/158231437.db2.gz BDHAZJWXQCOEQM-NSHDSACASA-N -1 0 302.421 0.890 10 0 DCAERM O=C([O-])CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562714 158374845 /nfs/dbraw/zinc/37/48/45/158374845.db2.gz MTHIAUXTEGJVJP-SECBINFHSA-N -1 0 320.301 0.359 10 0 DCAERM C[C@@H](C(=O)[O-])N(C(=O)Cn1c(=O)[nH]c2ccccc21)C1CC1 ZINC000262609621 158828984 /nfs/dbraw/zinc/82/89/84/158828984.db2.gz KZMCODDOZAFOAY-VIFPVBQESA-N -1 0 303.318 0.794 10 0 DCAERM Cc1ccnc2nc(C(=O)N[C@@H](C(=O)[O-])[C@@H]3CCCOC3)nn21 ZINC000262711727 158835135 /nfs/dbraw/zinc/83/51/35/158835135.db2.gz CRYCFHMPPJFXLO-NXEZZACHSA-N -1 0 319.321 0.042 10 0 DCAERM CC(C)C[C@@H](CNC(=O)N1CC[C@H](NC(N)=O)C1)C(=O)[O-] ZINC000263016232 158853107 /nfs/dbraw/zinc/85/31/07/158853107.db2.gz DDUDIECSFCMWSR-UWVGGRQHSA-N -1 0 300.359 0.186 10 0 DCAERM C[C@]1(C(=O)[N-]OCC(N)=O)CCCN1C(=O)c1ccccc1 ZINC000367396754 159336652 /nfs/dbraw/zinc/33/66/52/159336652.db2.gz MVEYFJIZYJDZHO-OAHLLOKOSA-N -1 0 305.334 0.214 10 0 DCAERM CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408131112 160043628 /nfs/dbraw/zinc/04/36/28/160043628.db2.gz GIFUSAOWQWGSQW-UWVGGRQHSA-N -1 0 301.368 0.430 10 0 DCAERM Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000408225018 160064016 /nfs/dbraw/zinc/06/40/16/160064016.db2.gz IVUNCJIBXFPXNK-GHMZBOCLSA-N -1 0 313.379 0.496 10 0 DCAERM C[C@@H](CN1CC[NH+](C)CC1)[N-]S(=O)(=O)CC(F)(F)F ZINC000408310726 160082687 /nfs/dbraw/zinc/08/26/87/160082687.db2.gz UDEYFEBTMCJFIZ-VIFPVBQESA-N -1 0 303.350 0.104 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)sc2nccn12 ZINC000408397928 160100358 /nfs/dbraw/zinc/10/03/58/160100358.db2.gz ZVMADRYXJIYNSP-QMMMGPOBSA-N -1 0 315.376 0.553 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000408453375 160111818 /nfs/dbraw/zinc/11/18/18/160111818.db2.gz RLYVLOKOFSBRAM-SECBINFHSA-N -1 0 323.378 0.062 10 0 DCAERM Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408475209 160116289 /nfs/dbraw/zinc/11/62/89/160116289.db2.gz CIMLKJSRYWNQDJ-QMMMGPOBSA-N -1 0 315.395 0.060 10 0 DCAERM Cc1nn(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408476255 160116526 /nfs/dbraw/zinc/11/65/26/160116526.db2.gz KMELGWSHMIDONW-UHFFFAOYSA-N -1 0 301.368 0.405 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1ccc(N2CCCC2)nc1 ZINC000408475680 160116557 /nfs/dbraw/zinc/11/65/57/160116557.db2.gz GNROXNDBOBRHDS-UHFFFAOYSA-N -1 0 311.363 0.140 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)c1cn2c(n1)CCC2 ZINC000408494488 160119621 /nfs/dbraw/zinc/11/96/21/160119621.db2.gz CFTPJOUEZJMNBA-JTQLQIEISA-N -1 0 313.379 0.316 10 0 DCAERM Cn1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c1=O ZINC000408499438 160119640 /nfs/dbraw/zinc/11/96/40/160119640.db2.gz OHOIODQMMGJJAF-JFGNBEQYSA-N -1 0 310.375 0.634 10 0 DCAERM CC[C@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408505618 160120308 /nfs/dbraw/zinc/12/03/08/160120308.db2.gz XNVZUGUEZLTWPO-WDEREUQCSA-N -1 0 315.395 0.739 10 0 DCAERM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1cn2c(n1)CCC2 ZINC000408503416 160120580 /nfs/dbraw/zinc/12/05/80/160120580.db2.gz VSMJVPBDVGQUQM-UHFFFAOYSA-N -1 0 321.362 0.091 10 0 DCAERM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000037405984 415188609 /nfs/dbraw/zinc/18/86/09/415188609.db2.gz AIHYWHJQZKANPP-SSDOTTSWSA-N -1 0 324.717 0.086 10 0 DCAERM O=C(N[C@@H]1COc2ccccc21)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000058970937 415343590 /nfs/dbraw/zinc/34/35/90/415343590.db2.gz XUPGDSYGZVQYPH-LLVKDONJSA-N -1 0 324.296 0.887 10 0 DCAERM Cc1nn(CC(F)(F)F)cc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357052083 416026587 /nfs/dbraw/zinc/02/65/87/416026587.db2.gz QXNPEMFGPFUUCA-UHFFFAOYSA-N -1 0 315.259 0.686 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1csc(-c2cnccn2)n1 ZINC000357052890 416026740 /nfs/dbraw/zinc/02/67/40/416026740.db2.gz JPVWGOQBLBRBBA-UHFFFAOYSA-N -1 0 314.334 0.532 10 0 DCAERM CCCCC(=O)N1CSC[C@H]1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357076688 416029816 /nfs/dbraw/zinc/02/98/16/416029816.db2.gz MKCCFTHFUCFWIK-VIFPVBQESA-N -1 0 324.410 0.397 10 0 DCAERM O=C(CSc1n[nH]c(=O)[n-]1)Nc1ccc(N2CCC2=O)cc1 ZINC000357696446 416117821 /nfs/dbraw/zinc/11/78/21/416117821.db2.gz WKDXBQUETZQPOO-UHFFFAOYSA-N -1 0 319.346 0.978 10 0 DCAERM CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262258842 416336289 /nfs/dbraw/zinc/33/62/89/416336289.db2.gz QVXYYDOGRVNTJL-TVQRCGJNSA-N -1 0 318.395 0.028 10 0 DCAERM CN(C)c1ncccc1O[C@H]1CCN(C(=O)CCC(=O)[O-])C1 ZINC000263435684 416338207 /nfs/dbraw/zinc/33/82/07/416338207.db2.gz OLVGIEHEHPVWQF-NSHDSACASA-N -1 0 307.350 0.992 10 0 DCAERM O=C(NC[C@@H](CO)C1CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000359778059 416357757 /nfs/dbraw/zinc/35/77/57/416357757.db2.gz LXTJEHDUHLAGTP-VIFPVBQESA-N -1 0 304.306 0.184 10 0 DCAERM CC(=O)c1ccc([O-])c(NC(=O)CS(=O)(=O)N(C)C)c1 ZINC000436825148 416571179 /nfs/dbraw/zinc/57/11/79/416571179.db2.gz FPLUHDJTCWCQEB-UHFFFAOYSA-N -1 0 300.336 0.425 10 0 DCAERM CC(C)C[C@H](C)OCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000446862068 416952882 /nfs/dbraw/zinc/95/28/82/416952882.db2.gz OUJAYAINPDQGLF-VIFPVBQESA-N -1 0 318.399 0.988 10 0 DCAERM COc1cc(CC(=O)NC2(c3nnn[n-]3)CC2)cc(OC)c1O ZINC000447587188 417009973 /nfs/dbraw/zinc/00/99/73/417009973.db2.gz QIKKUYDPCZXFCJ-UHFFFAOYSA-N -1 0 319.321 0.271 10 0 DCAERM Cc1c(S(=O)(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cnn1C ZINC000570211933 417324094 /nfs/dbraw/zinc/32/40/94/417324094.db2.gz KNBUGDOWAGTCLX-WCBMZHEXSA-N -1 0 301.368 0.460 10 0 DCAERM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000530154235 417547124 /nfs/dbraw/zinc/54/71/24/417547124.db2.gz RRDIYQRSLMTDRQ-NZHYYXIDSA-N -1 0 306.384 0.182 10 0 DCAERM CCO[C@@H]1C[C@@](NC(=O)Cn2cc(C)cn2)(C(=O)[O-])C1(C)C ZINC000439707715 271644650 /nfs/dbraw/zinc/64/46/50/271644650.db2.gz RAHMHDFLDVBTPZ-IAQYHMDHSA-N -1 0 309.366 0.966 10 0 DCAERM CCO[C@H]1C[C@@](NC(=O)NCCn2cccn2)(C(=O)[O-])C1(C)C ZINC000520788225 272523586 /nfs/dbraw/zinc/52/35/86/272523586.db2.gz ACDSRCGXTZGVFK-XHDPSFHLSA-N -1 0 324.381 0.841 10 0 DCAERM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC000262000245 278476469 /nfs/dbraw/zinc/47/64/69/278476469.db2.gz DMRWGLNDNSPDGL-MNOVXSKESA-N -1 0 317.407 0.769 10 0 DCAERM Cc1nc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])c[nH]1 ZINC000547554409 288057439 /nfs/dbraw/zinc/05/74/39/288057439.db2.gz SVISRULCWLZVCX-JTQLQIEISA-N -1 0 324.362 0.335 10 0 DCAERM O=C([O-])[C@H](NC(=O)NCCCc1nnc2ccccn21)C1CC1 ZINC000562431275 288575335 /nfs/dbraw/zinc/57/53/35/288575335.db2.gz SHAUHRZCQMRJRM-CYBMUJFWSA-N -1 0 317.349 0.824 10 0 DCAERM CO[C@@H](CNC(=O)c1nnn(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC000262855918 293544625 /nfs/dbraw/zinc/54/46/25/293544625.db2.gz HKYJGSTXMXSDDE-LBPRGKRZSA-N -1 0 318.333 0.714 10 0 DCAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)CN2CCCCCC2=O)C1 ZINC000263046011 294605766 /nfs/dbraw/zinc/60/57/66/294605766.db2.gz NOORFVDPNQFJME-RYUDHWBXSA-N -1 0 312.366 0.480 10 0 DCAERM CO[C@H]1C[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C12CCC2 ZINC000333969914 294663291 /nfs/dbraw/zinc/66/32/91/294663291.db2.gz VCDJNJYRMDSFSI-QWRGUYRKSA-N -1 0 307.350 0.516 10 0 DCAERM CSCC[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-] ZINC000021506481 337334522 /nfs/dbraw/zinc/33/45/22/337334522.db2.gz VIXYHVSWZQBGLA-ZJUUUORDSA-N -1 0 310.441 0.759 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000237510859 524442742 /nfs/dbraw/zinc/44/27/42/524442742.db2.gz IZVZLPCXSGTFLR-JTQLQIEISA-N -1 0 303.322 0.710 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000230065482 525785816 /nfs/dbraw/zinc/78/58/16/525785816.db2.gz SFFYDKQKFKTLEX-VIFPVBQESA-N -1 0 307.755 0.762 10 0 DCAERM Cc1ccc(S([O-])=CC(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000156990512 526089744 /nfs/dbraw/zinc/08/97/44/526089744.db2.gz KEFZWLLIRIBDAM-LAJNKCICSA-N -1 0 308.403 0.827 10 0 DCAERM O=C(NCCCn1ccnn1)c1nn(-c2ccccc2)cc1[O-] ZINC000185005092 545912546 /nfs/dbraw/zinc/91/25/46/545912546.db2.gz WLSJEWRHSGTCKT-UHFFFAOYSA-N -1 0 312.333 0.990 10 0 DCAERM Cn1nccc1C1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000191583718 545926342 /nfs/dbraw/zinc/92/63/42/545926342.db2.gz JHHDMWKTUHGWPQ-CHWSQXEVSA-N -1 0 307.350 0.758 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000249761424 545972764 /nfs/dbraw/zinc/97/27/64/545972764.db2.gz AUSMJZKKHMXKEI-GHMZBOCLSA-N -1 0 320.411 0.512 10 0 DCAERM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccnc2)CCC1(F)F ZINC000284955994 546001908 /nfs/dbraw/zinc/00/19/08/546001908.db2.gz DOTDCWRAWYKGGM-SECBINFHSA-N -1 0 306.290 0.812 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC000399226673 660947102 /nfs/dbraw/zinc/94/71/02/660947102.db2.gz XPIRRNNVLKACHV-QMMMGPOBSA-N -1 0 307.759 0.605 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000176832486 658064057 /nfs/dbraw/zinc/06/40/57/658064057.db2.gz QPPHQCBOBZALJN-OLZOCXBDSA-N -1 0 316.423 0.896 10 0 DCAERM COCc1ccsc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000181397565 665575037 /nfs/dbraw/zinc/57/50/37/665575037.db2.gz WRLCZCZHIHCJRH-UHFFFAOYSA-N -1 0 315.376 0.747 10 0 DCAERM CC(C)(C)OC(=O)N[C@](C)(CC(=O)[O-])C1CS(=O)(=O)C1 ZINC000757154601 658615959 /nfs/dbraw/zinc/61/59/59/658615959.db2.gz HPBBXOFZNINZEL-GFCCVEGCSA-N -1 0 307.368 0.789 10 0 DCAERM CC(C)(C)[C@@H](NC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000093535301 658758191 /nfs/dbraw/zinc/75/81/91/658758191.db2.gz FYAOSFZWRWAMCL-QMMMGPOBSA-N -1 0 308.400 0.608 10 0 DCAERM Cc1nc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c(C)s1 ZINC000178702380 661473611 /nfs/dbraw/zinc/47/36/11/661473611.db2.gz FGRLVOLFEFVPTM-UHFFFAOYSA-N -1 0 300.365 0.612 10 0 DCAERM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000108275603 661705885 /nfs/dbraw/zinc/70/58/85/661705885.db2.gz WAZMBQKHIHROHE-ZETCQYMHSA-N -1 0 319.360 0.630 10 0 DCAERM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@]1(C)CCCO1 ZINC000262261291 662254271 /nfs/dbraw/zinc/25/42/71/662254271.db2.gz WUMHMQJHLWNYDO-XHDPSFHLSA-N -1 0 312.366 0.337 10 0 DCAERM Cc1nc([C@H](C)NC(=O)[C@H](C)S(C)(=O)=O)sc1C(=O)[O-] ZINC000262598475 662498533 /nfs/dbraw/zinc/49/85/33/662498533.db2.gz XUDPMWKBMZJJTC-BQBZGAKWSA-N -1 0 320.392 0.760 10 0 DCAERM CCC[C@@H](C)C(=O)NCCNC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263362000 662679856 /nfs/dbraw/zinc/67/98/56/662679856.db2.gz KPLGUPHNUUDJSI-MNOVXSKESA-N -1 0 301.387 0.901 10 0 DCAERM COC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)C(=O)[O-] ZINC000263382169 662682530 /nfs/dbraw/zinc/68/25/30/662682530.db2.gz BNCADFRILGOTPE-WCQYABFASA-N -1 0 320.345 0.564 10 0 DCAERM COCCNC(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1 ZINC000183484774 666053061 /nfs/dbraw/zinc/05/30/61/666053061.db2.gz PVVQYGGTZUVVEK-JTQLQIEISA-N -1 0 301.306 0.053 10 0 DCAERM C[C@@H](CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000128912323 669315484 /nfs/dbraw/zinc/31/54/84/669315484.db2.gz GEXBYHSLACOHAD-QMMMGPOBSA-N -1 0 312.347 0.570 10 0 DCAERM CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000042713433 669829460 /nfs/dbraw/zinc/82/94/60/669829460.db2.gz USFJAOBRSHTYKB-SNVBAGLBSA-N -1 0 316.335 0.429 10 0 DCAERM O=C([O-])CCCS(=O)(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000712696627 670150938 /nfs/dbraw/zinc/15/09/38/670150938.db2.gz WNLQZLSZQKNQAW-YPMHNXCESA-N -1 0 305.396 0.976 10 0 DCAERM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000194590976 670443252 /nfs/dbraw/zinc/44/32/52/670443252.db2.gz SCWFADDUJJDANJ-NSHDSACASA-N -1 0 304.412 0.735 10 0 DCAERM Cn1ncc(CNS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000389820108 685258686 /nfs/dbraw/zinc/25/86/86/685258686.db2.gz CCKBGWCRZKTSKS-UHFFFAOYSA-N -1 0 302.337 0.053 10 0 DCAERM COC[C@](C)(NC(=O)NC[C@@]1(OC)CCSC1)C(=O)[O-] ZINC000719225611 685309349 /nfs/dbraw/zinc/30/93/49/685309349.db2.gz BKGHTJPLHLYQAS-RYUDHWBXSA-N -1 0 306.384 0.297 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)NCc2ncc(C(=O)[O-])s2)C1 ZINC000720652729 685314977 /nfs/dbraw/zinc/31/49/77/685314977.db2.gz QCGDUHMCEFMMJQ-QMMMGPOBSA-N -1 0 319.408 0.908 10 0 DCAERM CC(=O)N1CSC[C@@H]1C(=O)/N=c1\[n-]nc2cc(C)ccn21 ZINC000088254266 685092470 /nfs/dbraw/zinc/09/24/70/685092470.db2.gz MVXQBQCTGBIWEJ-SNVBAGLBSA-N -1 0 305.363 0.320 10 0 DCAERM O=C([O-])C(F)(F)CNS(=O)(=O)c1cccnc1Cl ZINC000386241186 685248635 /nfs/dbraw/zinc/24/86/35/685248635.db2.gz BWRUITKKEULCIF-UHFFFAOYSA-N -1 0 300.670 0.733 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000261810044 1185159885 /nfs/dbraw/zinc/15/98/85/1185159885.db2.gz RLDKGVMKMXZHAW-NEPJUHHUSA-N -1 0 304.350 0.482 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)NC(=O)c2ccoc2)C1 ZINC000262128073 1185162727 /nfs/dbraw/zinc/16/27/27/1185162727.db2.gz JXUSSBVXPQQYSF-FBIMIBRVSA-N -1 0 310.306 0.098 10 0 DCAERM Cc1noc(COCC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)n1 ZINC000262687794 1185171626 /nfs/dbraw/zinc/17/16/26/1185171626.db2.gz BEBOXBPRARRGEH-UHFFFAOYSA-N -1 0 323.309 0.550 10 0 DCAERM CCCn1nc(C)c(C(=O)NCc2cn(CC(=O)[O-])nn2)c1C ZINC000262792373 1185172543 /nfs/dbraw/zinc/17/25/43/1185172543.db2.gz LADKFJLEMZEGKU-UHFFFAOYSA-N -1 0 320.353 0.516 10 0 DCAERM CO[C@H](CNC(=O)c1ccc(-n2cncn2)cc1C)C(=O)[O-] ZINC000263020306 1185175605 /nfs/dbraw/zinc/17/56/05/1185175605.db2.gz AFWBXHBQCCGRCG-GFCCVEGCSA-N -1 0 304.306 0.405 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184154569 1185195900 /nfs/dbraw/zinc/19/59/00/1185195900.db2.gz WEHABEZNEDVXAU-UHFFFAOYSA-N -1 0 304.343 0.655 10 0 DCAERM CO[C@](C)(CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC000689245013 954649463 /nfs/dbraw/zinc/64/94/63/954649463.db2.gz XIMCUBKWPKHOGO-CMPLNLGQSA-N -1 0 306.384 0.185 10 0 DCAERM CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000688071890 976165098 /nfs/dbraw/zinc/16/50/98/976165098.db2.gz MOGIHQYSUYKPGY-QMMMGPOBSA-N -1 0 305.356 0.542 10 0 DCAERM C[C@]1(CO)CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000688065964 976165409 /nfs/dbraw/zinc/16/54/09/976165409.db2.gz INMKJPKBUSPOEU-LBPRGKRZSA-N -1 0 303.336 0.761 10 0 DCAERM C[C@@]1(CO)CCCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000688080860 976167379 /nfs/dbraw/zinc/16/73/79/976167379.db2.gz FXAHSEMSVPNPHX-GFCCVEGCSA-N -1 0 303.336 0.761 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@@H]2COC3(CCC3)C2)c1 ZINC000688310978 976175148 /nfs/dbraw/zinc/17/51/48/976175148.db2.gz ISNSOLTXGOXOSZ-VIFPVBQESA-N -1 0 301.320 0.968 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000688460032 976180746 /nfs/dbraw/zinc/18/07/46/976180746.db2.gz SKPYOMYPINTTJI-WDEREUQCSA-N -1 0 305.396 0.771 10 0 DCAERM CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000689229141 976244574 /nfs/dbraw/zinc/24/45/74/976244574.db2.gz FLAWMVKXDGGQOC-YUMQZZPRSA-N -1 0 320.392 0.623 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000690464235 976299417 /nfs/dbraw/zinc/29/94/17/976299417.db2.gz NHIBCXIGNCDSQP-MRVPVSSYSA-N -1 0 321.786 0.853 10 0 DCAERM CON1CCC(NS(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000692084686 976402349 /nfs/dbraw/zinc/40/23/49/976402349.db2.gz LCLGAPZAXJJVNL-UHFFFAOYSA-N -1 0 320.392 0.750 10 0 DCAERM O=C([O-])C1CC(NS(=O)(=O)c2cccc3nsnc32)C1 ZINC000693369809 976606082 /nfs/dbraw/zinc/60/60/82/976606082.db2.gz AJSLHADPMAGXLU-UHFFFAOYSA-N -1 0 313.360 0.833 10 0 DCAERM CS(=O)(=O)C1CCN(C(=O)NC2CC(C(=O)[O-])C2)CC1 ZINC000693411748 976623438 /nfs/dbraw/zinc/62/34/38/976623438.db2.gz WAZFTBWZLAODPW-UHFFFAOYSA-N -1 0 304.368 0.068 10 0 DCAERM O=C(NC[C@@H]1CCCCS1(=O)=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693428677 976631899 /nfs/dbraw/zinc/63/18/99/976631899.db2.gz LNIAEEPZDXESTQ-AEJSXWLSSA-N -1 0 304.368 0.116 10 0 DCAERM CC(C)[C@](C)(NS(=O)(=O)c1cc(C(=O)[O-])co1)C(N)=O ZINC000694195127 976679414 /nfs/dbraw/zinc/67/94/14/976679414.db2.gz XYGBLMRXECPNEE-NSHDSACASA-N -1 0 304.324 0.156 10 0 DCAERM O=C([O-])C[C@H]1CSCCN1CC[C@@H]1CCS(=O)(=O)C1 ZINC000696702279 976821993 /nfs/dbraw/zinc/82/19/93/976821993.db2.gz IIXTZMXVSLOPGB-MNOVXSKESA-N -1 0 307.437 0.703 10 0 DCAERM C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C[C@@H](C)O1 ZINC000037302275 545645858 /nfs/dbraw/zinc/64/58/58/545645858.db2.gz MJNBJDXCAYOQKN-RKDXNWHRSA-N -1 0 314.363 0.646 10 0 DCAERM CC[C@H](C)N(CC(=O)[O-])C(=O)CCn1nc2ccccn2c1=O ZINC000236894674 202057638 /nfs/dbraw/zinc/05/76/38/202057638.db2.gz IAIKMIDDSKLWQT-NSHDSACASA-N -1 0 320.349 0.598 10 0 DCAERM O=C([O-])C[C@@H]1COCCN1C(=O)c1cnc2ccccn2c1=O ZINC000261725330 304079001 /nfs/dbraw/zinc/07/90/01/304079001.db2.gz MGZSYSANJYAJNR-SNVBAGLBSA-N -1 0 317.301 0.010 10 0 DCAERM O=C([O-])C1(CNS(=O)(=O)c2cncc(F)c2)CCOCC1 ZINC000165952016 291249098 /nfs/dbraw/zinc/24/90/98/291249098.db2.gz PPPIDAOKSMQWMT-UHFFFAOYSA-N -1 0 318.326 0.380 10 0 DCAERM CCOCC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000006350619 181332959 /nfs/dbraw/zinc/33/29/59/181332959.db2.gz XCGLCIGBNDSRCP-UHFFFAOYSA-N -1 0 300.336 0.486 10 0 DCAERM CCCNC(=O)CCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000567065660 291335977 /nfs/dbraw/zinc/33/59/77/291335977.db2.gz GTTPZWIOQVVLJV-JTQLQIEISA-N -1 0 309.370 0.523 10 0 DCAERM CCC[C@H](NS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC)C(=O)[O-] ZINC000263501893 283932379 /nfs/dbraw/zinc/93/23/79/283932379.db2.gz TZSMSAZAGVQKBZ-KXUCPTDWSA-N -1 0 307.368 0.501 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000013028427 181825159 /nfs/dbraw/zinc/82/51/59/181825159.db2.gz WXNGMUDXQVEKDL-WKEGUHRASA-N -1 0 323.729 0.688 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccc(F)c2)C1 ZINC000019232649 182110023 /nfs/dbraw/zinc/11/00/23/182110023.db2.gz SDKDNXGQZBWGIA-ONGXEEELSA-N -1 0 303.311 0.688 10 0 DCAERM NC(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccc(Br)cc1 ZINC000019423370 182122307 /nfs/dbraw/zinc/12/23/07/182122307.db2.gz VTTODBKYIBBBDU-VIFPVBQESA-N -1 0 312.123 0.954 10 0 DCAERM CCOc1ccc(NC(=O)CS(=O)(=O)CCC(=O)[O-])cc1 ZINC000019954580 182170317 /nfs/dbraw/zinc/17/03/17/182170317.db2.gz LENCVTJBJXTPCE-UHFFFAOYSA-N -1 0 315.347 0.913 10 0 DCAERM NC(=O)CC[C@@H](NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000020305079 182205157 /nfs/dbraw/zinc/20/51/57/182205157.db2.gz LWNCFEPQGNYAFP-SNVBAGLBSA-N -1 0 316.716 0.857 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccccc2F)C1 ZINC000020551227 182230289 /nfs/dbraw/zinc/23/02/89/182230289.db2.gz CUDXKWFAXUZRFU-WCBMZHEXSA-N -1 0 303.311 0.688 10 0 DCAERM Cc1ccsc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000021015962 182260485 /nfs/dbraw/zinc/26/04/85/182260485.db2.gz CYAUWBQVWXZBHG-QMMMGPOBSA-N -1 0 305.377 0.674 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2cccs2)O1 ZINC000262342380 304193148 /nfs/dbraw/zinc/19/31/48/304193148.db2.gz XJUHMDAURMVRLI-NGZCFLSTSA-N -1 0 324.358 0.380 10 0 DCAERM CN(C)C(=O)CS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000037310914 182880332 /nfs/dbraw/zinc/88/03/32/182880332.db2.gz OHMQRMZTDOODTL-UHFFFAOYSA-N -1 0 305.739 0.900 10 0 DCAERM COc1ccc(OC)c([C@]2(C)NC(=O)N(CC(=O)[O-])C2=O)c1 ZINC000057842319 184056545 /nfs/dbraw/zinc/05/65/45/184056545.db2.gz MNWNFABLVNDMKF-AWEZNQCLSA-N -1 0 308.290 0.555 10 0 DCAERM CC(=O)N1CCC[C@@H]1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000339597858 253111681 /nfs/dbraw/zinc/11/16/81/253111681.db2.gz HKUDOKYIHZCAOJ-LLVKDONJSA-N -1 0 317.374 0.971 10 0 DCAERM O=C([O-])[C@@H]1O[C@@H](Oc2cccc3ccccc32)[C@@H](O)[C@H](O)[C@H]1O ZINC000071757388 257128172 /nfs/dbraw/zinc/12/81/72/257128172.db2.gz KEQWBZWOGRCILF-XYFZXANASA-N -1 0 320.297 0.111 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000021013279 395691539 /nfs/dbraw/zinc/69/15/39/395691539.db2.gz VHEVUGSIZWCEFT-GZMMTYOYSA-N -1 0 301.320 0.002 10 0 DCAERM CN(C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000085335640 395699972 /nfs/dbraw/zinc/69/99/72/395699972.db2.gz ZRGHKJQJFVRUNF-OUAUKWLOSA-N -1 0 318.395 0.458 10 0 DCAERM C[C@H]1CN(C)c2ccccc2N(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000091061331 395721222 /nfs/dbraw/zinc/72/12/22/395721222.db2.gz KEJSLLRJLSTNCH-QWRGUYRKSA-N -1 0 316.361 0.704 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)c(F)c2)C1 ZINC000036983521 395725731 /nfs/dbraw/zinc/72/57/31/395725731.db2.gz FBVLKNBYQIUURH-JOYOIKCWSA-N -1 0 317.338 0.997 10 0 DCAERM O=C([O-])c1cc(NC(=O)N2CCS(=O)(=O)CC2)ccc1O ZINC000040581504 395734400 /nfs/dbraw/zinc/73/44/00/395734400.db2.gz JAAUAGOYWVDBNI-UHFFFAOYSA-N -1 0 314.319 0.353 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000195286815 395823645 /nfs/dbraw/zinc/82/36/45/395823645.db2.gz CXTKLAQLGULVLE-ZJUUUORDSA-N -1 0 310.297 0.631 10 0 DCAERM COC(=O)CCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000049062052 395827517 /nfs/dbraw/zinc/82/75/17/395827517.db2.gz BVNICWABZYUSHO-UHFFFAOYSA-N -1 0 317.319 0.785 10 0 DCAERM CC(C)COCCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000223798601 395856546 /nfs/dbraw/zinc/85/65/46/395856546.db2.gz JAOKNOWGXGSAGS-UHFFFAOYSA-N -1 0 305.356 0.449 10 0 DCAERM CC(C)(NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1nccs1 ZINC000232527187 395887022 /nfs/dbraw/zinc/88/70/22/395887022.db2.gz OYPOBAAUHDPCOB-UHFFFAOYSA-N -1 0 316.364 0.778 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCCN1C ZINC000234618328 395889887 /nfs/dbraw/zinc/88/98/87/395889887.db2.gz IYHUHWXFKOSLDH-QMMMGPOBSA-N -1 0 319.408 0.302 10 0 DCAERM Cc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000130813544 395923255 /nfs/dbraw/zinc/92/32/55/395923255.db2.gz GTZYQUGXRCRABX-GFCCVEGCSA-N -1 0 309.347 0.833 10 0 DCAERM COC(=O)c1scc(C)c1S(=O)(=O)NCC[C@@H](C)O ZINC000226476374 395865862 /nfs/dbraw/zinc/86/58/62/395865862.db2.gz FQRVIRBFSFUUEB-MRVPVSSYSA-N -1 0 307.393 0.892 10 0 DCAERM COC(=O)c1scc(C)c1S(=O)(=O)NCC1CC(O)C1 ZINC000226477159 395866009 /nfs/dbraw/zinc/86/60/09/395866009.db2.gz BGMVNIOVKAVOLL-UHFFFAOYSA-N -1 0 319.404 0.892 10 0 DCAERM C[C@@H]1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC000227041421 395867035 /nfs/dbraw/zinc/86/70/35/395867035.db2.gz VZTFPQGXXJNTRL-BBBLOLIVSA-N -1 0 304.368 0.020 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)CCC(C)(C)C)C(=O)[O-])cn1 ZINC000230095259 395878197 /nfs/dbraw/zinc/87/81/97/395878197.db2.gz JFKZIYNLEMLZKY-JTQLQIEISA-N -1 0 303.384 0.901 10 0 DCAERM O=C(NCCC1=CCCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000152505087 396011767 /nfs/dbraw/zinc/01/17/67/396011767.db2.gz SJUIMSFYZCOXLR-UHFFFAOYSA-N -1 0 300.318 0.842 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)NCC2(C(=O)[O-])CCC2)C[C@H](C)O1 ZINC000166666389 396088395 /nfs/dbraw/zinc/08/83/95/396088395.db2.gz PAKMGNBZCSHTJB-AOOOYVTPSA-N -1 0 306.384 0.185 10 0 DCAERM COCCCS(=O)(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000071234544 396110881 /nfs/dbraw/zinc/11/08/81/396110881.db2.gz HHTMZVPNMCWAFJ-GFCCVEGCSA-N -1 0 315.347 0.705 10 0 DCAERM O=C([O-])c1cnn(-c2ccncn2)c1I ZINC000162135370 396079194 /nfs/dbraw/zinc/07/91/94/396079194.db2.gz OWPQYIMJKGDTSW-UHFFFAOYSA-N -1 0 316.058 0.965 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)c2cn(-c3ccccc3)nn2)CCSC1 ZINC000261950962 396083195 /nfs/dbraw/zinc/08/31/95/396083195.db2.gz MYBQGVLNUHHMHU-CQSZACIVSA-N -1 0 318.358 0.957 10 0 DCAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)C1 ZINC000263188338 396205419 /nfs/dbraw/zinc/20/54/19/396205419.db2.gz XMIUBUKAQBCXTG-QWRGUYRKSA-N -1 0 314.382 0.629 10 0 DCAERM COC(=O)COc1cccc(CNC(=O)N(C)CCC(=O)[O-])c1 ZINC000263245272 396208702 /nfs/dbraw/zinc/20/87/02/396208702.db2.gz OFYIYAPKALTVQD-UHFFFAOYSA-N -1 0 324.333 0.855 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000262583324 396158405 /nfs/dbraw/zinc/15/84/05/396158405.db2.gz GAVDGUCJGBRCHA-WCBMZHEXSA-N -1 0 300.380 0.762 10 0 DCAERM CSCC(=O)N1CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000262951890 396193619 /nfs/dbraw/zinc/19/36/19/396193619.db2.gz OTEVULNROGLFAU-LLVKDONJSA-N -1 0 302.396 0.664 10 0 DCAERM O=C([O-])c1ccnc(C(=O)NCCCOC[C@H]2CCOC2)c1 ZINC000263393883 396215425 /nfs/dbraw/zinc/21/54/25/396215425.db2.gz GYJGOLVVFFMHKP-LLVKDONJSA-N -1 0 308.334 0.953 10 0 DCAERM O=C([O-])C1CN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 ZINC000263561042 396220628 /nfs/dbraw/zinc/22/06/28/396220628.db2.gz RLUWEJPWMYQXOD-UHFFFAOYSA-N -1 0 311.363 0.291 10 0 DCAERM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1nnc2n1CCCC2 ZINC000192950009 396441196 /nfs/dbraw/zinc/44/11/96/396441196.db2.gz HMYWSJHQMARWJZ-ZETCQYMHSA-N -1 0 312.317 0.985 10 0 DCAERM CCCc1nc(=NC(=O)c2cccn3c(=O)[nH]nc23)s[n-]1 ZINC000519658495 396523299 /nfs/dbraw/zinc/52/32/99/396523299.db2.gz IDMSVWHATXSMJC-UHFFFAOYSA-N -1 0 304.335 0.913 10 0 DCAERM O=C([O-])[C@]1(CNS(=O)(=O)N2CCCCC2)CCCOC1 ZINC000630431399 397019236 /nfs/dbraw/zinc/01/92/36/397019236.db2.gz DVGBXEWCJREFKE-LBPRGKRZSA-N -1 0 306.384 0.188 10 0 DCAERM Cc1nc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])[C@@H]2C)cn1C ZINC000384463880 397281669 /nfs/dbraw/zinc/28/16/69/397281669.db2.gz LEUAMTXHHTUJBC-WCBMZHEXSA-N -1 0 301.368 0.602 10 0 DCAERM CO[C@@H](C)c1nc(=N[C@@H]2CCN(S(C)(=O)=O)C2)s[n-]1 ZINC000400250569 397318253 /nfs/dbraw/zinc/31/82/53/397318253.db2.gz BWRZODYMIGGZHN-JGVFFNPUSA-N -1 0 306.413 0.113 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000263150913 286652437 /nfs/dbraw/zinc/65/24/37/286652437.db2.gz NPZWXRMCWRAAHJ-JTQLQIEISA-N -1 0 322.427 0.664 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000037376132 157987509 /nfs/dbraw/zinc/98/75/09/157987509.db2.gz LIYRITIFDRIQNK-WDEREUQCSA-N -1 0 317.338 0.997 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000062925432 158030016 /nfs/dbraw/zinc/03/00/16/158030016.db2.gz OOQIQBKQYFPQKU-NTZNESFSSA-N -1 0 320.411 0.527 10 0 DCAERM Cc1noc(C2CCN(C(=O)Cn3[n-]c(=O)ccc3=O)CC2)n1 ZINC000064851963 158033245 /nfs/dbraw/zinc/03/32/45/158033245.db2.gz BCWZGZYPSDUUCM-UHFFFAOYSA-N -1 0 319.321 0.047 10 0 DCAERM CC(C)C[C@H](CNC(=O)N[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000094706259 158122821 /nfs/dbraw/zinc/12/28/21/158122821.db2.gz XETDVRLBEKUUFK-VHSXEESVSA-N -1 0 308.400 0.466 10 0 DCAERM C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H](C)C(=O)[O-] ZINC000132566217 158310999 /nfs/dbraw/zinc/31/09/99/158310999.db2.gz WSHZWXIJNUQFDC-BIIVOSGPSA-N -1 0 310.272 0.623 10 0 DCAERM C[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000135841188 158339812 /nfs/dbraw/zinc/33/98/12/158339812.db2.gz KLVWWNAUWGIIJX-CABZTGNLSA-N -1 0 311.359 0.630 10 0 DCAERM CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000262006457 158763930 /nfs/dbraw/zinc/76/39/30/158763930.db2.gz DZLDQXPMFGBWBW-QWRGUYRKSA-N -1 0 318.395 0.028 10 0 DCAERM CCCC(=O)N1CCCC[C@H]1C(=O)NC[C@H](OC)C(=O)[O-] ZINC000262939009 158849411 /nfs/dbraw/zinc/84/94/11/158849411.db2.gz ZHGBYEXBBGBMHL-QWRGUYRKSA-N -1 0 300.355 0.383 10 0 DCAERM CC(C)C[C@H](CNC(=O)N1CC[C@H](NC(N)=O)C1)C(=O)[O-] ZINC000263016234 158853079 /nfs/dbraw/zinc/85/30/79/158853079.db2.gz DDUDIECSFCMWSR-ZJUUUORDSA-N -1 0 300.359 0.186 10 0 DCAERM CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000367489595 159341120 /nfs/dbraw/zinc/34/11/20/159341120.db2.gz KPRSNGXGSZVRIL-APPZFPTMSA-N -1 0 321.786 0.947 10 0 DCAERM C[C@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C[C@H]1O ZINC000408088091 160032296 /nfs/dbraw/zinc/03/22/96/160032296.db2.gz DJPYMSWTXREYIB-CMPLNLGQSA-N -1 0 309.391 0.711 10 0 DCAERM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H](C)CC(=O)N2)c1 ZINC000408126237 160042662 /nfs/dbraw/zinc/04/26/62/160042662.db2.gz LODGHUHCSPXWHF-JQWIXIFHSA-N -1 0 310.375 0.715 10 0 DCAERM Cc1nc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c(C)o1 ZINC000408129884 160043522 /nfs/dbraw/zinc/04/35/22/160043522.db2.gz BXODHEXXOHFDEI-UHFFFAOYSA-N -1 0 310.335 0.553 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408147210 160047852 /nfs/dbraw/zinc/04/78/52/160047852.db2.gz BAJQLNXBQDFOFH-GHMZBOCLSA-N -1 0 315.395 0.739 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)s1 ZINC000408193713 160056868 /nfs/dbraw/zinc/05/68/68/160056868.db2.gz UKGIKSJXNQEUPE-VIFPVBQESA-N -1 0 304.393 0.192 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)cc1C ZINC000408193678 160056882 /nfs/dbraw/zinc/05/68/82/160056882.db2.gz TWTUDYQXKUHWOC-CYBMUJFWSA-N -1 0 312.391 0.439 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)c(C)o1 ZINC000408218751 160062240 /nfs/dbraw/zinc/06/22/40/160062240.db2.gz VBTVELDYOCGMLM-SNVBAGLBSA-N -1 0 302.352 0.032 10 0 DCAERM Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1C ZINC000408225998 160064092 /nfs/dbraw/zinc/06/40/92/160064092.db2.gz ZDBPQEAHVWFXAK-VIFPVBQESA-N -1 0 304.393 0.192 10 0 DCAERM CCc1nc(=N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)s[n-]1 ZINC000408240391 160067055 /nfs/dbraw/zinc/06/70/55/160067055.db2.gz CHTHIVDDYVRQMW-BDAKNGLRSA-N -1 0 304.441 0.795 10 0 DCAERM CO[C@]1(C(=O)[N-]S(=O)(=O)c2cnc(C)s2)CCOC1 ZINC000408487950 160118859 /nfs/dbraw/zinc/11/88/59/160118859.db2.gz XEATYQXVUZKSMI-SNVBAGLBSA-N -1 0 306.365 0.062 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2 ZINC000408490332 160118903 /nfs/dbraw/zinc/11/89/03/160118903.db2.gz AFWPMFHNFBROEX-TYUFSLCMSA-N -1 0 316.423 0.342 10 0 DCAERM CC(C)[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000408496245 160119717 /nfs/dbraw/zinc/11/97/17/160119717.db2.gz GPYPFPHIAGHYLK-JQWIXIFHSA-N -1 0 315.395 0.676 10 0 DCAERM CCc1csc(S(=O)(=O)[N-]C(=O)[C@@H]2OCC[C@@H]2C)n1 ZINC000408501859 160120326 /nfs/dbraw/zinc/12/03/26/160120326.db2.gz RUTBKNKAVNLMLR-IONNQARKSA-N -1 0 304.393 0.935 10 0 DCAERM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2OCC[C@@H]2C)c1 ZINC000408500260 160120387 /nfs/dbraw/zinc/12/03/87/160120387.db2.gz WKYLWLTXRULZKU-CMPLNLGQSA-N -1 0 315.395 0.769 10 0 DCAERM CC(C)[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408504480 160120584 /nfs/dbraw/zinc/12/05/84/160120584.db2.gz YEKPWGCMUZGFFS-RYUDHWBXSA-N -1 0 315.395 0.676 10 0 DCAERM COCCN(CCOC)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000062874700 292483624 /nfs/dbraw/zinc/48/36/24/292483624.db2.gz DQHZJCBGEIZDPX-AWEZNQCLSA-N -1 0 302.371 0.888 10 0 DCAERM CC[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-] ZINC000147323469 287030224 /nfs/dbraw/zinc/03/02/24/287030224.db2.gz JLEDYFTWKJKDNW-OUAUKWLOSA-N -1 0 308.400 0.431 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@@H](C)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000399718700 287231038 /nfs/dbraw/zinc/23/10/38/287231038.db2.gz HLRYZKICUBBEMU-ONGXEEELSA-N -1 0 303.384 0.927 10 0 DCAERM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCCO1 ZINC000037656665 415194142 /nfs/dbraw/zinc/19/41/42/415194142.db2.gz CTEVURNGFJTVNW-MWLCHTKSSA-N -1 0 306.384 0.185 10 0 DCAERM CO[C@@H]1C[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C12CCC2 ZINC000333969915 415770858 /nfs/dbraw/zinc/77/08/58/415770858.db2.gz VCDJNJYRMDSFSI-WDEREUQCSA-N -1 0 307.350 0.516 10 0 DCAERM Cc1ccc(-n2cc(C(=O)NC3(c4nnn[n-]4)CC3)nn2)cc1 ZINC000357066174 416029364 /nfs/dbraw/zinc/02/93/64/416029364.db2.gz GSMYINOMQVIGKZ-UHFFFAOYSA-N -1 0 310.321 0.508 10 0 DCAERM CNc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cn1 ZINC000329188871 416154455 /nfs/dbraw/zinc/15/44/55/416154455.db2.gz QOJWPVHSMCXKRT-SNVBAGLBSA-N -1 0 302.338 1.314 10 0 DCAERM CO[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@H]1C ZINC000188046414 416262532 /nfs/dbraw/zinc/26/25/32/416262532.db2.gz NNTVFRLVUKVSPF-LDYMZIIASA-N -1 0 318.333 0.108 10 0 DCAERM Cc1ccn(C)c1C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000190637703 416280699 /nfs/dbraw/zinc/28/06/99/416280699.db2.gz CAOSTFZQRIKQKP-UHFFFAOYSA-N -1 0 310.379 0.803 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@H](C)OC[C@@H]2CCCO2)C1 ZINC000262999001 416337459 /nfs/dbraw/zinc/33/74/59/416337459.db2.gz KQANLYRTPQLAJO-QNWHQSFQSA-N -1 0 315.366 0.661 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)NCc1ccco1 ZINC000263391217 416337846 /nfs/dbraw/zinc/33/78/46/416337846.db2.gz CUKGJEBPGUJRII-CQSZACIVSA-N -1 0 309.322 0.545 10 0 DCAERM CNc1nc(N2CCO[C@@H](CC(=O)[O-])C2)nc2ccccc21 ZINC000584843027 416515443 /nfs/dbraw/zinc/51/54/43/416515443.db2.gz LMXHEXXBITWJMH-JTQLQIEISA-N -1 0 302.334 1.351 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)CCC2CCOCC2)n[n-]1 ZINC000439153337 416608806 /nfs/dbraw/zinc/60/88/06/416608806.db2.gz OWKCUPLWUGNMCZ-UHFFFAOYSA-N -1 0 302.356 0.354 10 0 DCAERM COc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(O)c1 ZINC000436943067 416576794 /nfs/dbraw/zinc/57/67/94/416576794.db2.gz XYCNYXOMBBOYEZ-UHFFFAOYSA-N -1 0 312.307 0.175 10 0 DCAERM Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nc1C ZINC000545239511 416668946 /nfs/dbraw/zinc/66/89/46/416668946.db2.gz SLTHKSRMDLEXFK-LLVKDONJSA-N -1 0 301.354 0.935 10 0 DCAERM O=C(COC1CCCCC1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000369292315 416745334 /nfs/dbraw/zinc/74/53/34/416745334.db2.gz DRPHUCKZNDUBSH-HNNXBMFYSA-N -1 0 309.366 0.536 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c[nH]1 ZINC000368910269 416705816 /nfs/dbraw/zinc/70/58/16/416705816.db2.gz RHZHFKOEWJFZFM-UHFFFAOYSA-N -1 0 323.313 0.634 10 0 DCAERM CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000446053252 416909497 /nfs/dbraw/zinc/90/94/97/416909497.db2.gz LQLRDOUXLQFYOS-NSHDSACASA-N -1 0 320.374 0.919 10 0 DCAERM C[C@@]1(C(=O)[O-])CCCN(c2ncnc(-n3cccn3)c2N)C1 ZINC000565041429 416912637 /nfs/dbraw/zinc/91/26/37/416912637.db2.gz OHHBDQQYDXNOQY-CQSZACIVSA-N -1 0 302.338 0.936 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000447589158 417008654 /nfs/dbraw/zinc/00/86/54/417008654.db2.gz XAYXWRLISCBHEH-LBPRGKRZSA-N -1 0 315.333 0.787 10 0 DCAERM COC[C@H](C)S(=O)(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000399672601 417110163 /nfs/dbraw/zinc/11/01/63/417110163.db2.gz UYSBJHQJAMOYPV-LURJTMIESA-N -1 0 308.381 0.604 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000530150043 417544481 /nfs/dbraw/zinc/54/44/81/417544481.db2.gz LQLAJOZHJASKBW-GFCCVEGCSA-N -1 0 303.311 0.690 10 0 DCAERM CC(=O)N1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000631692617 417920671 /nfs/dbraw/zinc/92/06/71/417920671.db2.gz QMRLGCFNVCDINB-UHFFFAOYSA-N -1 0 316.354 0.774 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC000230811158 545948196 /nfs/dbraw/zinc/94/81/96/545948196.db2.gz HSKNAYKUWAYTMW-UHFFFAOYSA-N -1 0 307.759 0.559 10 0 DCAERM C[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)N1CCCCC1 ZINC000355579092 261349045 /nfs/dbraw/zinc/34/90/45/261349045.db2.gz DOCYXDQXKMCTSW-QMMMGPOBSA-N -1 0 302.318 0.869 10 0 DCAERM Cc1cc(F)ccc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000547915168 288091803 /nfs/dbraw/zinc/09/18/03/288091803.db2.gz ZWWCKHDZWHMNAE-JTQLQIEISA-N -1 0 319.354 0.980 10 0 DCAERM O=C([O-])[C@H](NS(=O)(=O)CCCC(F)(F)F)[C@H]1CCOC1 ZINC000548203027 288120690 /nfs/dbraw/zinc/12/06/90/288120690.db2.gz JPQXMPSAVANEPF-JGVFFNPUSA-N -1 0 319.301 0.738 10 0 DCAERM O=C([O-])[C@H](NS(=O)(=O)CCCC(F)(F)F)[C@@H]1CCOC1 ZINC000548203026 288120716 /nfs/dbraw/zinc/12/07/16/288120716.db2.gz JPQXMPSAVANEPF-HTQZYQBOSA-N -1 0 319.301 0.738 10 0 DCAERM CC(C)N1CC[C@@H](NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1=O ZINC000263298362 279520189 /nfs/dbraw/zinc/52/01/89/279520189.db2.gz WMIICYZXIOFITB-HWWQOWPSSA-N -1 0 323.393 0.892 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000551996649 288256668 /nfs/dbraw/zinc/25/66/68/288256668.db2.gz CCVIKXLCLRTMFD-HTQZYQBOSA-N -1 0 318.317 0.958 10 0 DCAERM CCN(CC(=O)[O-])C(=O)NCc1cccc(-n2cncn2)c1 ZINC000564361472 288740045 /nfs/dbraw/zinc/74/00/45/288740045.db2.gz UWGDBUYHLQTUQH-UHFFFAOYSA-N -1 0 303.322 0.883 10 0 DCAERM COC[C@@H](CO)NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263500840 292813172 /nfs/dbraw/zinc/81/31/72/292813172.db2.gz VKBVPQRWCOWUGH-ZIAGYGMSSA-N -1 0 324.377 0.769 10 0 DCAERM O=C1CC[C@H]([N-]S(=O)(=O)CC(F)(F)F)[C@H](C2CC2)N1 ZINC000408017446 304635022 /nfs/dbraw/zinc/63/50/22/304635022.db2.gz RZFRSELMPAEUKD-CBAPKCEASA-N -1 0 300.302 0.525 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085328024 302484642 /nfs/dbraw/zinc/48/46/42/302484642.db2.gz XFYJNAXJFIEJBI-VHSXEESVSA-N -1 0 301.368 0.948 10 0 DCAERM COC(=O)C[C@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-] ZINC000214870709 332176776 /nfs/dbraw/zinc/17/67/76/332176776.db2.gz FUOGSXDYZXPWMH-LURJTMIESA-N -1 0 321.273 0.265 10 0 DCAERM Cc1nc([C@H]2CCCN2C(=O)Cn2[n-]c(=O)ccc2=O)cs1 ZINC000188112524 527078369 /nfs/dbraw/zinc/07/83/69/527078369.db2.gz AHZQZYPGBZUEFD-LLVKDONJSA-N -1 0 320.374 0.665 10 0 DCAERM CC(C)(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])S(C)(=O)=O ZINC000093535162 660430964 /nfs/dbraw/zinc/43/09/64/660430964.db2.gz MMYBRLPHALACAC-GFCCVEGCSA-N -1 0 306.384 0.458 10 0 DCAERM CN(C)Cc1csc(CNS(=O)(=O)c2ncc[n-]2)n1 ZINC000722397939 661113241 /nfs/dbraw/zinc/11/32/41/661113241.db2.gz ZRQZWFWXMQCDHS-UHFFFAOYSA-N -1 0 301.397 0.406 10 0 DCAERM CC(C)N(C)S(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000090942208 657579225 /nfs/dbraw/zinc/57/92/25/657579225.db2.gz HFZOXUCWSBVJQU-UHFFFAOYSA-N -1 0 307.397 0.558 10 0 DCAERM CC(=O)N1CSC[C@H]1C(=O)/N=c1\[n-]nc2cc(C)ccn21 ZINC000088254265 658517792 /nfs/dbraw/zinc/51/77/92/658517792.db2.gz MVXQBQCTGBIWEJ-JTQLQIEISA-N -1 0 305.363 0.320 10 0 DCAERM CS[C@@H]1CC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000235086070 658538619 /nfs/dbraw/zinc/53/86/19/658538619.db2.gz AUIIUQBKYCEHAA-RNFRBKRXSA-N -1 0 305.381 0.670 10 0 DCAERM CC(C)(C)[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000050604090 658769681 /nfs/dbraw/zinc/76/96/81/658769681.db2.gz ZJWCEVYMPTZPPF-BDAKNGLRSA-N -1 0 306.384 0.220 10 0 DCAERM COC1CC(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000312235466 659196664 /nfs/dbraw/zinc/19/66/64/659196664.db2.gz IQBNMJFZOUXPIG-UHFFFAOYSA-N -1 0 303.311 0.980 10 0 DCAERM C[C@H]1COCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000312413797 659289431 /nfs/dbraw/zinc/28/94/31/659289431.db2.gz NZTWEFZLLJZOOO-WCBMZHEXSA-N -1 0 302.352 0.427 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCOC[C@H]2C)nc1C ZINC000192830446 659423380 /nfs/dbraw/zinc/42/33/80/659423380.db2.gz PIUPHKBULRBDIU-KOLCDFICSA-N -1 0 315.395 0.689 10 0 DCAERM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O ZINC000181955823 665699420 /nfs/dbraw/zinc/69/94/20/665699420.db2.gz ASJPVLMJARUKDG-SNVBAGLBSA-N -1 0 323.374 0.861 10 0 DCAERM O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3cncc(F)c3)CC[C@@H]21 ZINC000721755414 661565825 /nfs/dbraw/zinc/56/58/25/661565825.db2.gz IFKJYXGMGAYZMV-HBNTYKKESA-N -1 0 300.311 0.562 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000262085016 662046786 /nfs/dbraw/zinc/04/67/86/662046786.db2.gz BORHOAPQFOOPSV-QMMMGPOBSA-N -1 0 318.351 0.513 10 0 DCAERM Cc1nc(C)n(C[C@@H]2CN(c3cccc(C(=O)[O-])n3)CCO2)n1 ZINC000263437215 662688255 /nfs/dbraw/zinc/68/82/55/662688255.db2.gz VQQDCQMWRICZBJ-LBPRGKRZSA-N -1 0 317.349 0.894 10 0 DCAERM Cn1[n-]c(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)cc1=O ZINC000899087790 663123563 /nfs/dbraw/zinc/12/35/63/663123563.db2.gz BEYIBMUXDLJOJH-SNVBAGLBSA-N -1 0 302.338 0.682 10 0 DCAERM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)CC3CCC3)c2n1 ZINC000165024254 664399111 /nfs/dbraw/zinc/39/91/11/664399111.db2.gz IFAPRKCGNQZZDB-UHFFFAOYSA-N -1 0 308.363 0.897 10 0 DCAERM C[C@@H]1COCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000312413793 664696458 /nfs/dbraw/zinc/69/64/58/664696458.db2.gz NZTWEFZLLJZOOO-PSASIEDQSA-N -1 0 302.352 0.427 10 0 DCAERM CC(C)N(C)S(=O)(=O)[N-]C(=O)Cn1ncc2ccccc21 ZINC000730695829 664800916 /nfs/dbraw/zinc/80/09/16/664800916.db2.gz NJPBOLXRXBECMI-UHFFFAOYSA-N -1 0 310.379 0.738 10 0 DCAERM CC(C)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000186981288 666664019 /nfs/dbraw/zinc/66/40/19/666664019.db2.gz MZYRHZFVNGWLAH-UWVGGRQHSA-N -1 0 313.379 0.221 10 0 DCAERM Cn1cc(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)ccc1=O ZINC000864146302 667219074 /nfs/dbraw/zinc/21/90/74/667219074.db2.gz WKJADYXFUQQQIV-LBPRGKRZSA-N -1 0 308.334 0.243 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000888331484 667297367 /nfs/dbraw/zinc/29/73/67/667297367.db2.gz OVYHBGGEZXRNIT-UHFFFAOYSA-N -1 0 318.385 0.562 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)O1 ZINC000123727736 667843076 /nfs/dbraw/zinc/84/30/76/667843076.db2.gz IAQJWZMGLMUZTG-RQJHMYQMSA-N -1 0 307.759 0.446 10 0 DCAERM COC(=O)CCCc1csc([N-]S(=O)(=O)N(C)C)n1 ZINC000126651491 668639252 /nfs/dbraw/zinc/63/92/52/668639252.db2.gz AYFSXPZTOIYZIJ-UHFFFAOYSA-N -1 0 307.397 0.857 10 0 DCAERM CN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000040673348 669821978 /nfs/dbraw/zinc/82/19/78/669821978.db2.gz CICQREWWYMSQAR-SECBINFHSA-N -1 0 304.393 0.819 10 0 DCAERM O=C([O-])[C@]1(CNS(=O)(=O)CCCC2CC2)CCCOC1 ZINC000715034114 670202034 /nfs/dbraw/zinc/20/20/34/670202034.db2.gz MDGIGSDYYCSBSU-ZDUSSCGKSA-N -1 0 305.396 0.977 10 0 DCAERM Cn1cc(Br)c(CNC(=O)C(C)(C)C(=O)[O-])n1 ZINC000393298403 685263650 /nfs/dbraw/zinc/26/36/50/685263650.db2.gz RAYYTGDHIWECNA-UHFFFAOYSA-N -1 0 304.144 0.910 10 0 DCAERM O=C([O-])[C@@H](Cc1cncs1)NC(=O)N[C@H]1CCSC1 ZINC000719036102 685307940 /nfs/dbraw/zinc/30/79/40/685307940.db2.gz PGMWABORCJHRLX-IONNQARKSA-N -1 0 301.393 0.944 10 0 DCAERM O=C([O-])[C@@H](Cc1cncs1)NS(=O)(=O)CCC1CC1 ZINC000719068161 685308895 /nfs/dbraw/zinc/30/88/95/685308895.db2.gz HBIMODBBIDSHBG-SNVBAGLBSA-N -1 0 304.393 0.858 10 0 DCAERM CO[C@@]1(CNC(=O)N2CCSC[C@H]2C(=O)[O-])CCSC1 ZINC000719231154 685309113 /nfs/dbraw/zinc/30/91/13/685309113.db2.gz ULANJJIRRSZRJZ-JOYOIKCWSA-N -1 0 320.436 0.720 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CN2CCCCCCC2=O)C1 ZINC000262098131 1185161913 /nfs/dbraw/zinc/16/19/13/1185161913.db2.gz DXOPGLIHPFDUMV-NWDGAFQWSA-N -1 0 312.366 0.480 10 0 DCAERM CCCCCS(=O)(=O)CC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000262169364 1185164124 /nfs/dbraw/zinc/16/41/24/1185164124.db2.gz QEUNSAXYEHBRTP-WDEREUQCSA-N -1 0 321.395 0.292 10 0 DCAERM O=C([O-])C1(CC(=O)N2CCN(c3ncccn3)CC2)CCC1 ZINC000262398268 1185166605 /nfs/dbraw/zinc/16/66/05/1185166605.db2.gz CCKGDYZJJUJKJZ-UHFFFAOYSA-N -1 0 304.350 0.770 10 0 DCAERM Cn1nccc1N1CCC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000263428013 1185178171 /nfs/dbraw/zinc/17/81/71/1185178171.db2.gz YGFXZMYFRXKUCY-RYUDHWBXSA-N -1 0 321.381 0.505 10 0 DCAERM Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000263544350 1185179222 /nfs/dbraw/zinc/17/92/22/1185179222.db2.gz FYTDMEVZNUMBBZ-LPEHRKFASA-N -1 0 309.322 0.635 10 0 DCAERM Cc1nnsc1C(=O)NCCNC(=O)c1ccccc1O ZINC000190483628 1187956875 /nfs/dbraw/zinc/95/68/75/1187956875.db2.gz FGXUMFCEBWSJBT-UHFFFAOYSA-N -1 0 306.347 0.712 10 0 DCAERM C[C@@H](CS(C)(=O)=O)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC000688591951 954630685 /nfs/dbraw/zinc/63/06/85/954630685.db2.gz YVRSXVNROUQKAN-QMMMGPOBSA-N -1 0 305.396 0.673 10 0 DCAERM Cc1cscc1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689222976 954647953 /nfs/dbraw/zinc/64/79/53/954647953.db2.gz LMCONDDVSKFVQQ-JTQLQIEISA-N -1 0 304.393 0.940 10 0 DCAERM C[C@@H](CNC(=O)Nc1cccnc1C(=O)[O-])S(C)(=O)=O ZINC000697578703 954827030 /nfs/dbraw/zinc/82/70/30/954827030.db2.gz CAWZKPHRDJWAEI-ZETCQYMHSA-N -1 0 301.324 0.334 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000687074803 976132838 /nfs/dbraw/zinc/13/28/38/976132838.db2.gz IZDGLEWYRSUBOZ-LLVKDONJSA-N -1 0 321.786 0.995 10 0 DCAERM C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000688093885 976167637 /nfs/dbraw/zinc/16/76/37/976167637.db2.gz FEPOGJFZXIQDFQ-SFYZADRCSA-N -1 0 320.392 0.765 10 0 DCAERM CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000689249559 976246273 /nfs/dbraw/zinc/24/62/73/976246273.db2.gz QKEZWQFJSHJWEM-VXNVDRBHSA-N -1 0 304.324 0.154 10 0 DCAERM CC(=O)N[C@@H](CS(=O)(=O)Cc1nc(C)sc1C)C(=O)[O-] ZINC000692572627 976528380 /nfs/dbraw/zinc/52/83/80/976528380.db2.gz RFEPJUDCOAGVER-JTQLQIEISA-N -1 0 320.392 0.264 10 0 DCAERM COCCOCCN(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694208965 976680527 /nfs/dbraw/zinc/68/05/27/976680527.db2.gz ASICMMOCDDJQDF-UHFFFAOYSA-N -1 0 307.324 0.261 10 0 DCAERM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000695927470 976806875 /nfs/dbraw/zinc/80/68/75/976806875.db2.gz OBIZAXXPWVNGHF-VPOLOUISSA-N -1 0 301.364 0.133 10 0 DCAERM C[C@H](CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1)S(C)(=O)=O ZINC000697585008 976849711 /nfs/dbraw/zinc/84/97/11/976849711.db2.gz KHEGBPNCRYLYJI-SKDRFNHKSA-N -1 0 306.384 0.316 10 0 DCAERM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@]1(C(F)(F)F)CCOC1 ZINC000408066647 295702327 /nfs/dbraw/zinc/70/23/27/295702327.db2.gz APKNOAURPTUABJ-IONNQARKSA-N -1 0 318.317 0.104 10 0 DCAERM C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C[C@H](C)O1 ZINC000037302273 545645830 /nfs/dbraw/zinc/64/58/30/545645830.db2.gz MJNBJDXCAYOQKN-IUCAKERBSA-N -1 0 314.363 0.646 10 0 DCAERM CC(=O)c1cccc(OCC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280036934 215329005 /nfs/dbraw/zinc/32/90/05/215329005.db2.gz FZMGMPLDLZGWMM-UHFFFAOYSA-N -1 0 305.290 0.303 10 0 DCAERM O=C([O-])C1(CNS(=O)(=O)Cc2ccccc2)CCOCC1 ZINC000165944269 304030522 /nfs/dbraw/zinc/03/05/22/304030522.db2.gz UYVWPBQEHCKKEY-UHFFFAOYSA-N -1 0 313.375 0.987 10 0 DCAERM O=C([O-])CNC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000003042140 304069730 /nfs/dbraw/zinc/06/97/30/304069730.db2.gz PZFQQDBVFHJMKZ-VHSXEESVSA-N -1 0 307.375 0.227 10 0 DCAERM CCCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000038025244 283452960 /nfs/dbraw/zinc/45/29/60/283452960.db2.gz OJYVWILJLBLBBT-MNOVXSKESA-N -1 0 320.411 0.560 10 0 DCAERM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000569083789 291460653 /nfs/dbraw/zinc/46/06/53/291460653.db2.gz WUDBHLIZWODDNK-SDDRHHMPSA-N -1 0 324.381 0.800 10 0 DCAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)N1CCCCC1 ZINC000299921477 304159352 /nfs/dbraw/zinc/15/93/52/304159352.db2.gz QFCUMCAOBLGUKZ-TUAOUCFPSA-N -1 0 302.396 0.902 10 0 DCAERM C[C@@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000027550710 182476740 /nfs/dbraw/zinc/47/67/40/182476740.db2.gz CVPIODMUJGOHDH-ZCFIWIBFSA-N -1 0 303.365 0.094 10 0 DCAERM Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O ZINC000037420112 182891665 /nfs/dbraw/zinc/89/16/65/182891665.db2.gz IYKBHPVMVZTLJE-GMSGAONNSA-N -1 0 307.755 0.761 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000036960397 304203827 /nfs/dbraw/zinc/20/38/27/304203827.db2.gz CIGITSMMEQUKIF-NTSWFWBYSA-N -1 0 311.768 0.610 10 0 DCAERM O=C([O-])[C@]1(NC(=O)Cc2cn3ccccc3n2)CCSC1 ZINC000043510270 183368655 /nfs/dbraw/zinc/36/86/55/183368655.db2.gz AFRIDFKKNBSNBL-AWEZNQCLSA-N -1 0 305.359 0.953 10 0 DCAERM O=C([O-])[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000374089710 304214919 /nfs/dbraw/zinc/21/49/19/304214919.db2.gz VYKOAXGYNGFQBG-BREBYQMCSA-N -1 0 301.364 0.134 10 0 DCAERM CS(=O)(=O)CCS(=O)(=O)[N-]c1ccccc1C(N)=S ZINC000063143061 184273880 /nfs/dbraw/zinc/27/38/80/184273880.db2.gz VDZBCHJOIWRIHG-UHFFFAOYSA-N -1 0 322.433 0.107 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)NCC[C@@H]1CCCO1 ZINC000134691857 545801207 /nfs/dbraw/zinc/80/12/07/545801207.db2.gz ATZNKFZVFZMDEE-ZETCQYMHSA-N -1 0 306.365 0.689 10 0 DCAERM CCC[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000087501115 395706427 /nfs/dbraw/zinc/70/64/27/395706427.db2.gz YVVXBIUTKHUMHF-OUAUKWLOSA-N -1 0 308.400 0.431 10 0 DCAERM Cn1c(=O)oc(=O)c2cc(C(=O)[O-])cc(Br)c21 ZINC000033494385 395717122 /nfs/dbraw/zinc/71/71/22/395717122.db2.gz MMAMVHCKPBNQIU-UHFFFAOYSA-N -1 0 300.064 0.952 10 0 DCAERM NC(=O)CC[C@@H](C(=O)[O-])N1Cc2c(cccc2[N+](=O)[O-])C1=O ZINC000034580852 395718335 /nfs/dbraw/zinc/71/83/35/395718335.db2.gz JWXSMBGQHOFVJT-JTQLQIEISA-N -1 0 307.262 0.269 10 0 DCAERM CCOc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000037405845 395726788 /nfs/dbraw/zinc/72/67/88/395726788.db2.gz VDGDJUHKKOASIL-LDYMZIIASA-N -1 0 303.336 0.198 10 0 DCAERM Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000040396367 395733817 /nfs/dbraw/zinc/73/38/17/395733817.db2.gz OAGDZGJVDNUWQT-UWVGGRQHSA-N -1 0 303.311 0.343 10 0 DCAERM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)CCCC(F)(F)F ZINC000214845744 395836410 /nfs/dbraw/zinc/83/64/10/395836410.db2.gz HNYKEHLEQZFDLP-MRVPVSSYSA-N -1 0 319.301 0.834 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)c2ccccc2F)C(=O)[O-])cn1 ZINC000130841260 395924067 /nfs/dbraw/zinc/92/40/67/395924067.db2.gz IDJGIBBWIURFOH-NSHDSACASA-N -1 0 313.310 0.663 10 0 DCAERM C[C@H]1CCCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000227635123 395869379 /nfs/dbraw/zinc/86/93/79/395869379.db2.gz FMIFPYAONOFRDA-GXSJLCMTSA-N -1 0 316.383 0.255 10 0 DCAERM CC[C@](C)(CNS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000227865807 395869848 /nfs/dbraw/zinc/86/98/48/395869848.db2.gz OZARZSAZAPYGRW-SNVBAGLBSA-N -1 0 309.775 0.853 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)c2cnc3ccccn3c2=O)CCSC1 ZINC000261977217 396085663 /nfs/dbraw/zinc/08/56/63/396085663.db2.gz QVLHNRGBKZCKKW-CQSZACIVSA-N -1 0 319.342 0.385 10 0 DCAERM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000070302981 396100300 /nfs/dbraw/zinc/10/03/00/396100300.db2.gz NFYDYWAVSLGJTD-UHFFFAOYSA-N -1 0 307.331 0.993 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCC(=O)[O-])cc1 ZINC000070312098 396101117 /nfs/dbraw/zinc/10/11/17/396101117.db2.gz DXJXFUVJVACRTH-VIFPVBQESA-N -1 0 314.363 0.578 10 0 DCAERM C[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC000262186222 396107905 /nfs/dbraw/zinc/10/79/05/396107905.db2.gz HALIWRRMRSJVKN-ZJUUUORDSA-N -1 0 300.355 0.239 10 0 DCAERM COC(=O)CCCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000262274512 396117580 /nfs/dbraw/zinc/11/75/80/396117580.db2.gz KXHBHYVBOKALGS-JTQLQIEISA-N -1 0 307.368 0.456 10 0 DCAERM Cc1ccc(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000262320997 396123810 /nfs/dbraw/zinc/12/38/10/396123810.db2.gz CQMSUGDRFSDZSB-XJKSGUPXSA-N -1 0 304.346 0.882 10 0 DCAERM CCc1cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)n(C)n1 ZINC000172213203 396129403 /nfs/dbraw/zinc/12/94/03/396129403.db2.gz NZTSVDUOUZSYKR-UHFFFAOYSA-N -1 0 308.363 0.882 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263180106 396205132 /nfs/dbraw/zinc/20/51/32/396205132.db2.gz KDUGZMZOYAHHBE-NXEZZACHSA-N -1 0 301.368 0.900 10 0 DCAERM O=C(CN1CCO[C@]2(CCOC2)C1)[N-]OCc1ccccc1 ZINC000185132909 396318312 /nfs/dbraw/zinc/31/83/12/396318312.db2.gz XCSUJKPSMCSFCV-MRXNPFEDSA-N -1 0 306.362 0.726 10 0 DCAERM O=C([O-])C1=CN=C2C=CC(I)=CN2[C@H]1O ZINC000585656182 396648480 /nfs/dbraw/zinc/64/84/80/396648480.db2.gz QFWCABSBKQKUGA-QMMMGPOBSA-N -1 0 318.070 0.834 10 0 DCAERM C[S@](=O)C1(CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000596655497 396811662 /nfs/dbraw/zinc/81/16/62/396811662.db2.gz WEAFCZAVYAABOJ-SBKAZYGRSA-N -1 0 302.396 0.698 10 0 DCAERM C[C@]1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CCCNC1=O ZINC000376972532 397003904 /nfs/dbraw/zinc/00/39/04/397003904.db2.gz RFJBSXOBXCUHPS-HNNXBMFYSA-N -1 0 316.317 0.885 10 0 DCAERM CNC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2OC)cn1C ZINC000598370410 397219288 /nfs/dbraw/zinc/21/92/88/397219288.db2.gz FEFHOZZDRRZTCC-UHFFFAOYSA-N -1 0 324.362 0.589 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384944957 397283004 /nfs/dbraw/zinc/28/30/04/397283004.db2.gz QYDZNXXBJSKULX-XLPZGREQSA-N -1 0 320.392 0.774 10 0 DCAERM C[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1O ZINC000408094928 397347167 /nfs/dbraw/zinc/34/71/67/397347167.db2.gz JVXINWJEUPLMHL-XCBNKYQSSA-N -1 0 304.306 0.279 10 0 DCAERM O=C([O-])[C@H]1CCCN1C(=O)NCCCc1nnc2ccccn21 ZINC000579791654 397592884 /nfs/dbraw/zinc/59/28/84/397592884.db2.gz VJNXQXWIGFBRJL-LLVKDONJSA-N -1 0 317.349 0.921 10 0 DCAERM CCCc1nc(=NC(=O)N2CCN3C(=O)NC[C@@H]3C2)s[n-]1 ZINC000579938445 397598594 /nfs/dbraw/zinc/59/85/94/397598594.db2.gz UTSUDPMLCKOGOE-MRVPVSSYSA-N -1 0 310.383 0.154 10 0 DCAERM CCO[C@@H]1C[C@H](NC(=O)N(C)CCC(=O)[O-])[C@@]12CCCO2 ZINC000263261900 286346198 /nfs/dbraw/zinc/34/61/98/286346198.db2.gz QMAQVOCXLDISJZ-WDMOLILDSA-N -1 0 300.355 0.829 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262212503 286647902 /nfs/dbraw/zinc/64/79/02/286647902.db2.gz XLGMQZLFFLIBKT-LLVKDONJSA-N -1 0 320.411 0.371 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C)O1 ZINC000121281158 158209502 /nfs/dbraw/zinc/20/95/02/158209502.db2.gz NRPRCOPFDQGFFA-OIBJUYFYSA-N -1 0 301.368 0.409 10 0 DCAERM C[C@@H](CN(C)C(=O)[C@H]1CCCN1c1nccs1)c1nnn[n-]1 ZINC000124357927 158240844 /nfs/dbraw/zinc/24/08/44/158240844.db2.gz YFTZUUDZCKSLFZ-VHSXEESVSA-N -1 0 321.410 0.887 10 0 DCAERM C[C@@H](CNC(=O)Cn1nnc(-c2ccccc2)n1)CC(=O)[O-] ZINC000262287345 158792884 /nfs/dbraw/zinc/79/28/84/158792884.db2.gz ZTYLHXNFNMAJHY-SNVBAGLBSA-N -1 0 303.322 0.567 10 0 DCAERM CS(=O)(=O)c1cccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000262696384 158833971 /nfs/dbraw/zinc/83/39/71/158833971.db2.gz BFLIWCLDBVYMLD-ZDUSSCGKSA-N -1 0 315.322 0.729 10 0 DCAERM Cn1cc([C@H]2CN(C(=O)c3ccc(C(=O)[O-])o3)CCO2)cn1 ZINC000262781209 158840146 /nfs/dbraw/zinc/84/01/46/158840146.db2.gz MFTNHTMIBWXRFC-GFCCVEGCSA-N -1 0 305.290 0.925 10 0 DCAERM CC[C@@H](C)[C@@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000237032497 286793599 /nfs/dbraw/zinc/79/35/99/286793599.db2.gz PLVWHWHCRZFIGH-ZWNOBZJWSA-N -1 0 320.349 0.502 10 0 DCAERM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@@H]1CCCOCC1 ZINC000408015720 160011200 /nfs/dbraw/zinc/01/12/00/160011200.db2.gz CZNFOHYPPSCRHG-SNVBAGLBSA-N -1 0 313.379 0.451 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000408193992 160056975 /nfs/dbraw/zinc/05/69/75/160056975.db2.gz VKHWQSZLVVFEDE-LLVKDONJSA-N -1 0 318.782 0.476 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)C2)sc1C ZINC000408289366 160077320 /nfs/dbraw/zinc/07/73/20/160077320.db2.gz CPHYNXUYMJLIKC-MRVPVSSYSA-N -1 0 302.377 0.306 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000408383414 160096753 /nfs/dbraw/zinc/09/67/53/160096753.db2.gz HJQOXAUMLUWNCW-MWLCHTKSSA-N -1 0 324.358 0.347 10 0 DCAERM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)C2COC2)CCO1 ZINC000408476026 160116175 /nfs/dbraw/zinc/11/61/75/160116175.db2.gz IZIJIDROISBPSD-JQWIXIFHSA-N -1 0 305.396 0.673 10 0 DCAERM Cc1nc2ccc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)cc2o1 ZINC000408477593 160116922 /nfs/dbraw/zinc/11/69/22/160116922.db2.gz AYYBKQLMJFENTR-JTQLQIEISA-N -1 0 310.331 0.985 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408478862 160117192 /nfs/dbraw/zinc/11/71/92/160117192.db2.gz DSFONJUUTBEGGE-UTUOFQBUSA-N -1 0 305.396 0.817 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H]1CCc2n[nH]cc2C1 ZINC000408485360 160118226 /nfs/dbraw/zinc/11/82/26/160118226.db2.gz HEMSBWOSGLDUKP-KOLCDFICSA-N -1 0 313.379 0.140 10 0 DCAERM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)s1 ZINC000408484625 160118467 /nfs/dbraw/zinc/11/84/67/160118467.db2.gz OEKXVKVFYVAWSQ-SZEHBUNVSA-N -1 0 302.377 0.681 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@H]1CCc2n[nH]cc2C1 ZINC000408489056 160118873 /nfs/dbraw/zinc/11/88/73/160118873.db2.gz PGMBNVFXFNABIB-ONGXEEELSA-N -1 0 313.379 0.140 10 0 DCAERM CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCO2)cn1 ZINC000408493200 160119707 /nfs/dbraw/zinc/11/97/07/160119707.db2.gz FZAJSJLEFCYHNR-LBPRGKRZSA-N -1 0 301.368 0.838 10 0 DCAERM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cnccn3)c2C1 ZINC000408504520 160120258 /nfs/dbraw/zinc/12/02/58/160120258.db2.gz YJFQRXXHRBDQPB-SECBINFHSA-N -1 0 321.362 0.374 10 0 DCAERM CC(C)[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000408503181 160120310 /nfs/dbraw/zinc/12/03/10/160120310.db2.gz VDWWHINAGBTWKH-JQWIXIFHSA-N -1 0 313.379 0.733 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408505925 160120813 /nfs/dbraw/zinc/12/08/13/160120813.db2.gz ZCVHWNCFQUUIFA-GHMZBOCLSA-N -1 0 315.395 0.739 10 0 DCAERM O=C([O-])CN(CC(F)(F)F)S(=O)(=O)C[C@H]1CCCO1 ZINC000092436389 286936838 /nfs/dbraw/zinc/93/68/38/286936838.db2.gz MHKGINAFVYBMCZ-SSDOTTSWSA-N -1 0 305.274 0.444 10 0 DCAERM CSC[C@@H]1CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000400173121 287231336 /nfs/dbraw/zinc/23/13/36/287231336.db2.gz PMKKJFUROTZIQT-ZETCQYMHSA-N -1 0 305.381 0.624 10 0 DCAERM CC(C)(C)[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000035389505 415189346 /nfs/dbraw/zinc/18/93/46/415189346.db2.gz MKZBOOYMBWFOQL-UWVGGRQHSA-N -1 0 320.411 0.274 10 0 DCAERM O=c1nc(CN2CC[C@@H](N3CCOCC3)C2)[n-]c2ccsc21 ZINC000173993808 416069765 /nfs/dbraw/zinc/06/97/65/416069765.db2.gz DPDSSRRFHMMTDV-LLVKDONJSA-N -1 0 320.418 0.891 10 0 DCAERM Cc1onc(-c2ccccn2)c1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357074218 416030100 /nfs/dbraw/zinc/03/01/00/416030100.db2.gz JAMQZXIXSUNVNA-UHFFFAOYSA-N -1 0 311.305 0.977 10 0 DCAERM C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000312318121 416106425 /nfs/dbraw/zinc/10/64/25/416106425.db2.gz BIVWMFWVVLQMSI-CPCISQLKSA-N -1 0 303.311 0.980 10 0 DCAERM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CCN1CCO ZINC000187280959 416260275 /nfs/dbraw/zinc/26/02/75/416260275.db2.gz YDDKBAGKHWAWMP-SECBINFHSA-N -1 0 300.305 0.809 10 0 DCAERM COC1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCCCC1 ZINC000361482383 416440836 /nfs/dbraw/zinc/44/08/36/416440836.db2.gz XIEXCDUNPKJHJO-UHFFFAOYSA-N -1 0 302.356 0.496 10 0 DCAERM CS(=O)(=O)c1n[n-]c(NC(=O)c2c(F)cccc2F)n1 ZINC000438932082 416604882 /nfs/dbraw/zinc/60/48/82/416604882.db2.gz BCWKYOCQNUNXLT-UHFFFAOYSA-N -1 0 302.262 0.739 10 0 DCAERM C[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)N1CCCCCC1 ZINC000439144364 416608319 /nfs/dbraw/zinc/60/83/19/416608319.db2.gz BFSFXEZTIIPWNZ-VIFPVBQESA-N -1 0 315.399 0.411 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1cnnn1-c1cccc(F)c1 ZINC000447589988 417007831 /nfs/dbraw/zinc/00/78/31/417007831.db2.gz ZNFDELYCHLQYST-UHFFFAOYSA-N -1 0 314.284 0.339 10 0 DCAERM CC(=O)N(C)c1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447629009 417011959 /nfs/dbraw/zinc/01/19/59/417011959.db2.gz IWKYBCVZUZANBP-UHFFFAOYSA-N -1 0 304.306 0.318 10 0 DCAERM COC(=O)[C@@H](Cn1cc(C(=O)[O-])nn1)NC(=O)OC(C)(C)C ZINC000616580521 417080969 /nfs/dbraw/zinc/08/09/69/417080969.db2.gz WLAONQSNSGVQTL-MRVPVSSYSA-N -1 0 314.298 0.043 10 0 DCAERM COC(=O)[C@H](Cn1cc(C(=O)[O-])nn1)NC(=O)OC(C)(C)C ZINC000616580531 417081934 /nfs/dbraw/zinc/08/19/34/417081934.db2.gz WLAONQSNSGVQTL-QMMMGPOBSA-N -1 0 314.298 0.043 10 0 DCAERM CC[C@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408475942 417164886 /nfs/dbraw/zinc/16/48/86/417164886.db2.gz IMFAOZCJVJKZQP-RKDXNWHRSA-N -1 0 317.367 0.575 10 0 DCAERM Cn1ncc(Br)c1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000634947837 417549044 /nfs/dbraw/zinc/54/90/44/417549044.db2.gz YQKFJRDDVGOLIN-PHDIDXHHSA-N -1 0 302.128 0.520 10 0 DCAERM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cnnn2C)c1 ZINC000629289525 417772676 /nfs/dbraw/zinc/77/26/76/417772676.db2.gz IGEVYNBWZJASCG-UHFFFAOYSA-N -1 0 309.351 0.599 10 0 DCAERM CO[C@@H]1CN(S(=O)(=O)N2CCCCC2)[C@@](C)(C(=O)[O-])C1 ZINC000629308452 417776422 /nfs/dbraw/zinc/77/64/22/417776422.db2.gz JFZQXZYALZXTOS-CMPLNLGQSA-N -1 0 306.384 0.281 10 0 DCAERM C[C@H]1CCC[C@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])O1 ZINC000656723587 418373203 /nfs/dbraw/zinc/37/32/03/418373203.db2.gz LUPCMMGCFLLESZ-JGVFFNPUSA-N -1 0 303.340 0.344 10 0 DCAERM CC(=O)N1CCC(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000262157501 277982012 /nfs/dbraw/zinc/98/20/12/277982012.db2.gz AQYPRRZJNVVNBW-XJKSGUPXSA-N -1 0 308.378 0.958 10 0 DCAERM CCCc1nsc(NC([O-])=C2CCCCS2(=O)=O)n1 ZINC000545966704 288008119 /nfs/dbraw/zinc/00/81/19/288008119.db2.gz AKRSKAKJLMAPGL-QMMMGPOBSA-N -1 0 303.409 0.818 10 0 DCAERM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000547587278 288060418 /nfs/dbraw/zinc/06/04/18/288060418.db2.gz DZZUISAMQNUPHW-NSHDSACASA-N -1 0 316.310 0.417 10 0 DCAERM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)cc1C ZINC000547903780 288090176 /nfs/dbraw/zinc/09/01/76/288090176.db2.gz KAMUDPOWVLKSFJ-JTQLQIEISA-N -1 0 305.327 0.854 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F ZINC000551996651 288256650 /nfs/dbraw/zinc/25/66/50/288256650.db2.gz CCVIKXLCLRTMFD-SFYZADRCSA-N -1 0 318.317 0.958 10 0 DCAERM CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCO2)cn1C ZINC000408498142 280664987 /nfs/dbraw/zinc/66/49/87/280664987.db2.gz JZBVLAGLOJOUSH-ZDUSSCGKSA-N -1 0 315.395 0.918 10 0 DCAERM CCC(=O)N1CSC[C@H]1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000262583323 281937484 /nfs/dbraw/zinc/93/74/84/281937484.db2.gz GAVDGUCJGBRCHA-SCZZXKLOSA-N -1 0 300.380 0.762 10 0 DCAERM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)O1 ZINC000263558721 289005562 /nfs/dbraw/zinc/00/55/62/289005562.db2.gz PWPXCAZEPDZRQP-XWLWVQCSSA-N -1 0 312.366 0.095 10 0 DCAERM COC[C@H](C)S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000447828702 293063728 /nfs/dbraw/zinc/06/37/28/293063728.db2.gz GCGIZUYAUOROIO-IONNQARKSA-N -1 0 315.317 0.978 10 0 DCAERM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@]1(C(F)(F)F)CCOC1 ZINC000408066648 297974739 /nfs/dbraw/zinc/97/47/39/297974739.db2.gz APKNOAURPTUABJ-VXNVDRBHSA-N -1 0 318.317 0.104 10 0 DCAERM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])co2)CCN1S(C)(=O)=O ZINC000262759563 300184602 /nfs/dbraw/zinc/18/46/02/300184602.db2.gz KOVISLDEOULPNK-QMMMGPOBSA-N -1 0 316.335 0.084 10 0 DCAERM Cc1c([C@H]2OCC[C@@H]2C(=O)[N-]S(=O)(=O)C(C)C)cnn1C ZINC000408489559 301008773 /nfs/dbraw/zinc/00/87/73/301008773.db2.gz UGTXSKMWQIANDM-JQWIXIFHSA-N -1 0 315.395 0.661 10 0 DCAERM Cc1cc(C)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(C)c1 ZINC000037405966 301199145 /nfs/dbraw/zinc/19/91/45/301199145.db2.gz HELFYJUDOQNCKG-SNVBAGLBSA-N -1 0 314.363 0.219 10 0 DCAERM O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@H](COc2ccccc2)C1 ZINC000583179216 337255731 /nfs/dbraw/zinc/25/57/31/337255731.db2.gz CSZWLXXCBMGLOE-NSHDSACASA-N -1 0 304.306 0.430 10 0 DCAERM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000183567224 528738267 /nfs/dbraw/zinc/73/82/67/528738267.db2.gz UTIZOCUNLWQNKK-WDEREUQCSA-N -1 0 315.395 0.912 10 0 DCAERM C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCN1CCO ZINC000187268558 545915990 /nfs/dbraw/zinc/91/59/90/545915990.db2.gz RZZGAMFJRXAFIJ-SECBINFHSA-N -1 0 300.305 0.809 10 0 DCAERM C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H](C(=O)[O-])O1 ZINC000237594658 545956945 /nfs/dbraw/zinc/95/69/45/545956945.db2.gz MQMLMGMGUISQME-PWSUYJOCSA-N -1 0 303.318 0.577 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)CC[C@H]1CCOC1 ZINC000263272245 545986692 /nfs/dbraw/zinc/98/66/92/545986692.db2.gz WCITWVVRNWWNPL-IJLUTSLNSA-N -1 0 305.396 0.928 10 0 DCAERM Cn1nccc1S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000284998811 546001886 /nfs/dbraw/zinc/00/18/86/546001886.db2.gz GTHDRMMTGIISLY-SSDOTTSWSA-N -1 0 309.294 0.151 10 0 DCAERM Cn1ncc(-c2nc(C(=O)[O-])no2)c1I ZINC000306795142 546021154 /nfs/dbraw/zinc/02/11/54/546021154.db2.gz UJMVMAHOYLWVSV-UHFFFAOYSA-N -1 0 320.046 0.773 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000135215666 667579245 /nfs/dbraw/zinc/57/92/45/667579245.db2.gz XVCNKAPLEZQEHW-QMMMGPOBSA-N -1 0 318.317 0.801 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1n[nH]c2c1CCCC2 ZINC000180239726 665428153 /nfs/dbraw/zinc/42/81/53/665428153.db2.gz NRLWXCWJXHMROW-SECBINFHSA-N -1 0 313.379 0.527 10 0 DCAERM CCC[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000040543575 658798779 /nfs/dbraw/zinc/79/87/79/658798779.db2.gz QIUHKMXTTWIBEM-SNVBAGLBSA-N -1 0 315.351 0.709 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000312018625 659027080 /nfs/dbraw/zinc/02/70/80/659027080.db2.gz ULTDXTCPCJVQAE-MRVPVSSYSA-N -1 0 307.759 0.605 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C[C@H](C)O1 ZINC000312745935 659475586 /nfs/dbraw/zinc/47/55/86/659475586.db2.gz YNNQJUGAIJBMBW-DTORHVGOSA-N -1 0 300.336 0.578 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000262085014 662046717 /nfs/dbraw/zinc/04/67/17/662046717.db2.gz BORHOAPQFOOPSV-MRVPVSSYSA-N -1 0 318.351 0.513 10 0 DCAERM Cn1[n-]c(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)cc1=O ZINC000899087789 663123518 /nfs/dbraw/zinc/12/35/18/663123518.db2.gz BEYIBMUXDLJOJH-JTQLQIEISA-N -1 0 302.338 0.682 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(N3CCCCC3=O)CC2)O1 ZINC000901613738 663355717 /nfs/dbraw/zinc/35/57/17/663355717.db2.gz PVXJQICKHZHPRP-OLZOCXBDSA-N -1 0 324.377 0.622 10 0 DCAERM CN(C)S(=O)(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000170307606 663792831 /nfs/dbraw/zinc/79/28/31/663792831.db2.gz LRAGGEZXUWOICB-ZDUSSCGKSA-N -1 0 323.374 0.786 10 0 DCAERM O=C(CCC(=O)N1CCOc2ccccc21)NCc1nnn[n-]1 ZINC000732157724 664906599 /nfs/dbraw/zinc/90/65/99/664906599.db2.gz FMCJHOFFZVSIFW-UHFFFAOYSA-N -1 0 316.321 0.022 10 0 DCAERM COC[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000183587883 666074260 /nfs/dbraw/zinc/07/42/60/666074260.db2.gz FORAWRKXPYVHDG-JTQLQIEISA-N -1 0 303.384 0.627 10 0 DCAERM O=C([O-])C1(C(=O)NC[C@@H]2CSCCS2)CCOCC1 ZINC000701766261 666875443 /nfs/dbraw/zinc/87/54/43/666875443.db2.gz GVXQSYBUPARCTD-SECBINFHSA-N -1 0 305.421 0.833 10 0 DCAERM Cn1nccc1CCC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000124540518 668085550 /nfs/dbraw/zinc/08/55/50/668085550.db2.gz ANEGMXLWOHDLHN-UHFFFAOYSA-N -1 0 300.384 0.200 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCO[C@@H]2C)nc1C ZINC000192275427 670148049 /nfs/dbraw/zinc/14/80/49/670148049.db2.gz VETXIKLXAKDTCW-MWLCHTKSSA-N -1 0 315.395 0.831 10 0 DCAERM Cc1ncc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)s1 ZINC000712939321 670150805 /nfs/dbraw/zinc/15/08/05/670150805.db2.gz YDWBFOKBQLSQHU-VAOFZXAKSA-N -1 0 302.377 0.983 10 0 DCAERM CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000713274817 670155130 /nfs/dbraw/zinc/15/51/30/670155130.db2.gz HWNSGTXUQMPVSD-XBFCOCLRSA-N -1 0 306.362 0.723 10 0 DCAERM Cn1cnc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)c1Cl ZINC000716712696 670271227 /nfs/dbraw/zinc/27/12/27/670271227.db2.gz MCDVFTAFBGGXOD-YFKPBYRVSA-N -1 0 321.708 0.665 10 0 DCAERM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)c1 ZINC000193511458 670291125 /nfs/dbraw/zinc/29/11/25/670291125.db2.gz BKNVEEZEHFEJPY-UHFFFAOYSA-N -1 0 312.310 0.944 10 0 DCAERM CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)s1 ZINC000194610672 670444304 /nfs/dbraw/zinc/44/43/04/670444304.db2.gz MKKYMQVYHCQQGK-UHFFFAOYSA-N -1 0 304.393 0.852 10 0 DCAERM NC(=O)c1coc(CNC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000190761882 670488578 /nfs/dbraw/zinc/48/85/78/670488578.db2.gz ANKGBCWBAWHAKG-UHFFFAOYSA-N -1 0 312.285 0.545 10 0 DCAERM CN(CC(=O)NC(C)(C)C)C(=O)c1n[n-]c2ccccc2c1=O ZINC000111541860 671263348 /nfs/dbraw/zinc/26/33/48/671263348.db2.gz DCBYNEZTKSEWLG-UHFFFAOYSA-N -1 0 316.361 0.910 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000386526065 685249513 /nfs/dbraw/zinc/24/95/13/685249513.db2.gz YPTIMJBMILQJDI-ZDUSSCGKSA-N -1 0 313.331 0.099 10 0 DCAERM Cn1cc(Br)cc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386557561 685249805 /nfs/dbraw/zinc/24/98/05/685249805.db2.gz NJSHXTJLPAPCMQ-NSHDSACASA-N -1 0 317.139 0.449 10 0 DCAERM Nc1ccc(Br)cc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000392512303 1157735559 /nfs/dbraw/zinc/73/55/59/1157735559.db2.gz PXHQNTZSJUUQCE-UHFFFAOYSA-N -1 0 312.127 0.785 10 0 DCAERM Nc1cc(Br)c(F)cc1C(=O)NCc1nnn[n-]1 ZINC000302558597 1158034722 /nfs/dbraw/zinc/03/47/22/1158034722.db2.gz XORITUBDLKOTPE-UHFFFAOYSA-N -1 0 315.106 0.614 10 0 DCAERM CCOc1n[nH]c(NC(=O)CNC(=O)c2ccc(C)s2)n1 ZINC000228786677 1158064834 /nfs/dbraw/zinc/06/48/34/1158064834.db2.gz DUWBRLQCFBBXGA-UHFFFAOYSA-N -1 0 309.351 0.942 10 0 DCAERM CCCNC(=O)CN(C)C(=O)CN(CC(=O)[O-])c1ccccc1 ZINC000261767110 1185102651 /nfs/dbraw/zinc/10/26/51/1185102651.db2.gz QNHTVTGFTYQQOE-UHFFFAOYSA-N -1 0 321.377 0.562 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000261827700 1185159061 /nfs/dbraw/zinc/15/90/61/1185159061.db2.gz HTHMQSCMZJLWIM-YPMHNXCESA-N -1 0 318.329 0.885 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC000262093195 1185162020 /nfs/dbraw/zinc/16/20/20/1185162020.db2.gz CZOPOQWFLVJTLB-STQMWFEESA-N -1 0 320.345 0.046 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000262202506 1185164297 /nfs/dbraw/zinc/16/42/97/1185164297.db2.gz WJWQONBZNYOTNL-CHWSQXEVSA-N -1 0 305.330 0.865 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CSCC(F)(F)F)C1 ZINC000262913289 1185174350 /nfs/dbraw/zinc/17/43/50/1185174350.db2.gz HPWRDFKVBQIAQQ-NKWVEPMBSA-N -1 0 301.286 0.982 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCOC2CCOCC2)C1 ZINC000263003893 1185175544 /nfs/dbraw/zinc/17/55/44/1185175544.db2.gz VMOZBLIOCDNYQM-VXGBXAGGSA-N -1 0 301.339 0.273 10 0 DCAERM CCOC1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000383115036 1190699184 /nfs/dbraw/zinc/69/91/84/1190699184.db2.gz SCAHUTHFXDPMHL-UHFFFAOYSA-N -1 0 302.308 0.710 10 0 DCAERM C[C@H](CCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC000392864448 1190701203 /nfs/dbraw/zinc/70/12/03/1190701203.db2.gz LTLVMSQFTDWWIZ-NXEZZACHSA-N -1 0 306.384 0.316 10 0 DCAERM O=C([O-])[C@@H]1COCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403646149 774110266 /nfs/dbraw/zinc/11/02/66/774110266.db2.gz MUWMLULNKSNYII-GYIHNLGQSA-N -1 0 300.380 0.908 10 0 DCAERM C[C@@H](CN(C)C(=O)NC[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000694078415 954772359 /nfs/dbraw/zinc/77/23/59/954772359.db2.gz CYRGVSJSMHDEBX-VHSXEESVSA-N -1 0 306.384 0.316 10 0 DCAERM O=C([O-])COCCNC(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000698751142 954846436 /nfs/dbraw/zinc/84/64/36/954846436.db2.gz LJCGETVLGXDUOG-SSDOTTSWSA-N -1 0 300.233 0.060 10 0 DCAERM CN(C)C(=O)OCCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000688994682 976198401 /nfs/dbraw/zinc/19/84/01/976198401.db2.gz ARCBWFNQQDXKPG-UHFFFAOYSA-N -1 0 322.364 0.423 10 0 DCAERM CN(C(=O)NCCN1CCSCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693029975 976571155 /nfs/dbraw/zinc/57/11/55/976571155.db2.gz LCBMVVPSODDQFY-PHIMTYICSA-N -1 0 301.412 0.540 10 0 DCAERM O=C([O-])CSCCNC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000694513680 976695962 /nfs/dbraw/zinc/69/59/62/976695962.db2.gz AVLHZNCPGLZNAM-VIFPVBQESA-N -1 0 324.424 0.071 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)o1 ZINC000695339996 976794223 /nfs/dbraw/zinc/79/42/23/976794223.db2.gz GKNVFGBOCFJJNR-SNVBAGLBSA-N -1 0 301.320 0.777 10 0 DCAERM C[C@@]12CCC(=O)N1[C@H](C(=O)N(CC(=O)[O-])CC1CC1)CS2 ZINC000036884328 545645982 /nfs/dbraw/zinc/64/59/82/545645982.db2.gz WPUBYYVZUZAQMC-IINYFYTJSA-N -1 0 312.391 0.764 10 0 DCAERM CNC(=O)c1ccc([C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)n1C ZINC000328640353 529944471 /nfs/dbraw/zinc/94/44/71/529944471.db2.gz QBFOJIGMRFWJHM-LLVKDONJSA-N -1 0 318.381 0.936 10 0 DCAERM C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000070311663 190880218 /nfs/dbraw/zinc/88/02/18/190880218.db2.gz FJLSGOBBEVKNDA-QMMMGPOBSA-N -1 0 312.347 0.713 10 0 DCAERM CN(C(=O)N1CCCCC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000080990924 545692145 /nfs/dbraw/zinc/69/21/45/545692145.db2.gz AXTAPFHDWUYDET-MNOVXSKESA-N -1 0 318.395 0.555 10 0 DCAERM Cc1nc(-c2cnccn2)n2c(=O)n(CC(=O)[O-])nc2c1C ZINC000073695144 191342295 /nfs/dbraw/zinc/34/22/95/191342295.db2.gz ZHPMJPXBQCGEEY-UHFFFAOYSA-N -1 0 300.278 0.049 10 0 DCAERM O=C([O-])CN1N=C(c2nc(-c3cccnc3)no2)CCC1=O ZINC000073738137 191350493 /nfs/dbraw/zinc/35/04/93/191350493.db2.gz IUSLHDWAJRNTDW-UHFFFAOYSA-N -1 0 301.262 0.543 10 0 DCAERM O=C([O-])c1ccccc1NC(=S)N[C@@H]1CCS(=O)(=O)C1 ZINC000005616568 181264165 /nfs/dbraw/zinc/26/41/65/181264165.db2.gz NDCRESKQTQHIMT-MRVPVSSYSA-N -1 0 314.388 0.858 10 0 DCAERM CC1(C)CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCS1 ZINC000158649148 291232263 /nfs/dbraw/zinc/23/22/63/291232263.db2.gz QBPWLNUDGREMAI-UHFFFAOYSA-N -1 0 305.381 0.624 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000262516418 238176373 /nfs/dbraw/zinc/17/63/73/238176373.db2.gz NOQODWOVSFBWFN-YPMHNXCESA-N -1 0 316.317 0.581 10 0 DCAERM CCc1nc(CNC(=O)N[C@](C)(COC)C(=O)[O-])cs1 ZINC000328421016 291258979 /nfs/dbraw/zinc/25/89/79/291258979.db2.gz ZDPIASFJDGZYSB-GFCCVEGCSA-N -1 0 301.368 0.994 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1cc(OCC(F)F)ccn1 ZINC000357081781 239022432 /nfs/dbraw/zinc/02/24/32/239022432.db2.gz VSABPBKXYKHESB-UHFFFAOYSA-N -1 0 310.264 0.658 10 0 DCAERM CO[C@H](C)C(=O)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000328625709 294205127 /nfs/dbraw/zinc/20/51/27/294205127.db2.gz DLCURJUYGWBRGN-PWSUYJOCSA-N -1 0 300.355 0.336 10 0 DCAERM Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])n1 ZINC000019803778 182151721 /nfs/dbraw/zinc/15/17/21/182151721.db2.gz SROBTKAAIVBDFZ-SNVBAGLBSA-N -1 0 300.336 0.008 10 0 DCAERM Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])c1O ZINC000019987803 182174744 /nfs/dbraw/zinc/17/47/44/182174744.db2.gz YVLKGJJZCOIIGT-SNVBAGLBSA-N -1 0 315.347 0.318 10 0 DCAERM O=C([O-])[C@]1(NC(=O)[C@H]2CCCCS2(=O)=O)CCSC1 ZINC000167903094 304213793 /nfs/dbraw/zinc/21/37/93/304213793.db2.gz DTPFAEKPZVQZNI-KCJUWKMLSA-N -1 0 307.393 0.030 10 0 DCAERM Cc1nc(N2CCN(S(C)(=O)=O)CC2)sc1C(=O)[O-] ZINC000062097727 184205918 /nfs/dbraw/zinc/20/59/18/184205918.db2.gz IBYCHUCABXDSBM-UHFFFAOYSA-N -1 0 305.381 0.231 10 0 DCAERM CC(=O)Nc1cnc(N(C)C[C@H]2COCCO2)c(C(=O)[O-])c1 ZINC000064978863 184307242 /nfs/dbraw/zinc/30/72/42/184307242.db2.gz GUURONKDIGCWSR-NSHDSACASA-N -1 0 309.322 0.590 10 0 DCAERM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)c1 ZINC000179841056 252611280 /nfs/dbraw/zinc/61/12/80/252611280.db2.gz WPEKEURCOXKDHS-UHFFFAOYSA-N -1 0 323.378 0.834 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])on1 ZINC000333638400 252746718 /nfs/dbraw/zinc/74/67/18/252746718.db2.gz WVUCUNIHSJVKKU-KWQFWETISA-N -1 0 302.352 0.998 10 0 DCAERM COCCN(C(=O)CCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000037828012 685055153 /nfs/dbraw/zinc/05/51/53/685055153.db2.gz UIJXRMFKKCRRTP-LLVKDONJSA-N -1 0 321.395 0.294 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000134716857 545802223 /nfs/dbraw/zinc/80/22/23/545802223.db2.gz OWNUINLIWACQSN-YUMQZZPRSA-N -1 0 320.392 0.671 10 0 DCAERM CC(C)OC(=O)c1ccc(CS(=O)(=O)c2nnc(N)[n-]2)cc1 ZINC000008015925 395683840 /nfs/dbraw/zinc/68/38/40/395683840.db2.gz VPPUGOUKSRNIPK-UHFFFAOYSA-N -1 0 324.362 0.926 10 0 DCAERM Cc1nc(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])cn1C ZINC000089426797 395711765 /nfs/dbraw/zinc/71/17/65/395711765.db2.gz OMJMGHWWTVPOGX-NXEZZACHSA-N -1 0 301.368 0.508 10 0 DCAERM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCS(=O)(=O)CC1 ZINC000040581530 395734113 /nfs/dbraw/zinc/73/41/13/395734113.db2.gz CEFOQWJSLVRUMG-UHFFFAOYSA-N -1 0 312.347 0.956 10 0 DCAERM CN(C)C(=O)COC(=O)COc1ccc(CCC(=O)[O-])cc1 ZINC000114581359 395835644 /nfs/dbraw/zinc/83/56/44/395835644.db2.gz DWCWOOOHFWSOGU-UHFFFAOYSA-N -1 0 309.318 0.714 10 0 DCAERM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000116982159 395850173 /nfs/dbraw/zinc/85/01/73/395850173.db2.gz GBXFAOINKDCZKI-SECBINFHSA-N -1 0 318.782 0.809 10 0 DCAERM C[C@@H]1[C@H](C)SCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000132350701 395926548 /nfs/dbraw/zinc/92/65/48/395926548.db2.gz OEFDQOAJUWRTPZ-RQJHMYQMSA-N -1 0 305.381 0.622 10 0 DCAERM COC[C@H](C)c1nc([O-])c(I)c(=O)[n-]1 ZINC000132185599 395926639 /nfs/dbraw/zinc/92/66/39/395926639.db2.gz DFXIDBMIWLCBIW-BYPYZUCNSA-N -1 0 310.091 0.830 10 0 DCAERM C[C@@H]1CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC000227041435 395867315 /nfs/dbraw/zinc/86/73/15/395867315.db2.gz VZTFPQGXXJNTRL-UTLUCORTSA-N -1 0 304.368 0.020 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000133244780 395928756 /nfs/dbraw/zinc/92/87/56/395928756.db2.gz YDSPCFSOWRCENZ-BQBZGAKWSA-N -1 0 321.376 0.922 10 0 DCAERM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@H]([C@H]2O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]13 ZINC000138607113 395952012 /nfs/dbraw/zinc/95/20/12/395952012.db2.gz DVUUKJRIDQYMNQ-QYKGAGETSA-N -1 0 318.285 0.638 10 0 DCAERM CC(C)CN(CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000059880880 395959727 /nfs/dbraw/zinc/95/97/27/395959727.db2.gz NJRASVGXXARBCN-PHIMTYICSA-N -1 0 308.400 0.383 10 0 DCAERM CCN(C[C@H](C)C(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000061224602 395967040 /nfs/dbraw/zinc/96/70/40/395967040.db2.gz SYFKZTYXSAWMOJ-UWVGGRQHSA-N -1 0 306.384 0.268 10 0 DCAERM C[C@@H](CO)[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000151875944 395994758 /nfs/dbraw/zinc/99/47/58/395994758.db2.gz QIGCVCVOWKUWEC-DTWKUNHWSA-N -1 0 321.402 0.969 10 0 DCAERM CCN(CC(=O)[O-])C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000262492203 396146869 /nfs/dbraw/zinc/14/68/69/396146869.db2.gz XQCYCTYERJJUTH-UHFFFAOYSA-N -1 0 310.306 0.106 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000262947401 396193871 /nfs/dbraw/zinc/19/38/71/396193871.db2.gz MCVXABGOQHKIQG-SECBINFHSA-N -1 0 322.317 0.515 10 0 DCAERM Cn1c(=O)cccc1C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000263029810 396198761 /nfs/dbraw/zinc/19/87/61/396198761.db2.gz ZGPCEDHITUQXDO-SNVBAGLBSA-N -1 0 310.350 0.774 10 0 DCAERM O=C([O-])[C@H](NC(=O)Cn1cnnn1)c1ccc(Cl)c(F)c1 ZINC000181901688 396242875 /nfs/dbraw/zinc/24/28/75/396242875.db2.gz DWVASHJROKKFRJ-SNVBAGLBSA-N -1 0 313.676 0.408 10 0 DCAERM C[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263319492 396213441 /nfs/dbraw/zinc/21/34/41/396213441.db2.gz ILKSILVMKXRZQH-JOYOIKCWSA-N -1 0 305.334 0.851 10 0 DCAERM CC(C)(CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000084147197 396318657 /nfs/dbraw/zinc/31/86/57/396318657.db2.gz IGNZAKORRVBTNC-UHFFFAOYSA-N -1 0 312.347 0.713 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000594802168 396518606 /nfs/dbraw/zinc/51/86/06/396518606.db2.gz VODBEFIDMQLGGS-QMMMGPOBSA-N -1 0 320.392 0.369 10 0 DCAERM CC(=O)c1cccc(NC(=O)c2cnc([O-])n(C)c2=O)c1O ZINC000560551077 396619636 /nfs/dbraw/zinc/61/96/36/396619636.db2.gz RGIOZCVZVNXDRU-UHFFFAOYSA-N -1 0 303.274 0.646 10 0 DCAERM CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000589973214 396731846 /nfs/dbraw/zinc/73/18/46/396731846.db2.gz GPUAMDJIWCDGIU-LBPRGKRZSA-N -1 0 316.317 0.979 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCC2)C1 ZINC000312533415 396764990 /nfs/dbraw/zinc/76/49/90/396764990.db2.gz GWHQAGSJBOPTAE-ZDUSSCGKSA-N -1 0 305.396 0.930 10 0 DCAERM Cc1cc(S(=O)(=O)NC[C@@H]2[C@H]3COC[C@H]32)sc1C(=O)[O-] ZINC000375587284 396776469 /nfs/dbraw/zinc/77/64/69/396776469.db2.gz IYRHIUFLXHJXAO-PSVAKVPMSA-N -1 0 317.388 0.925 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)s2)C1 ZINC000380744069 397270490 /nfs/dbraw/zinc/27/04/90/397270490.db2.gz ACTIQOPYDBJDLV-LLVKDONJSA-N -1 0 320.392 0.563 10 0 DCAERM CCOCCS(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000383522553 397278071 /nfs/dbraw/zinc/27/80/71/397278071.db2.gz IRGSQWYQGIUOAO-QMMMGPOBSA-N -1 0 321.317 0.986 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000384464644 397281665 /nfs/dbraw/zinc/28/16/65/397281665.db2.gz LJIRBXVUGSSMHS-NXEZZACHSA-N -1 0 301.368 0.777 10 0 DCAERM C[C@H]1C[C@@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000386847358 397290909 /nfs/dbraw/zinc/29/09/09/397290909.db2.gz XJMOIFZLFZXXDL-YUMQZZPRSA-N -1 0 303.340 0.201 10 0 DCAERM C[C@H]1C(=O)CC[C@@H](C(=O)[N-]S(=O)(=O)C2COC2)C1(C)C ZINC000408475044 299683084 /nfs/dbraw/zinc/68/30/84/299683084.db2.gz AZVCQDMSQQDGMT-WPRPVWTQSA-N -1 0 303.380 0.473 10 0 DCAERM O=C(NCc1cscn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000050683799 158011823 /nfs/dbraw/zinc/01/18/23/158011823.db2.gz RGICHIHUUXJSLG-UHFFFAOYSA-N -1 0 303.303 0.410 10 0 DCAERM COCCN(CCOC)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000062843432 158029603 /nfs/dbraw/zinc/02/96/03/158029603.db2.gz RFYHXWARHBLAEP-UHFFFAOYSA-N -1 0 302.371 0.888 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c(F)c1 ZINC000092114657 158110715 /nfs/dbraw/zinc/11/07/15/158110715.db2.gz WPTZWIJVKONZMR-SECBINFHSA-N -1 0 316.310 0.081 10 0 DCAERM CSCCCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000119061808 158182784 /nfs/dbraw/zinc/18/27/84/158182784.db2.gz ZROCQWGRDOGCDE-UHFFFAOYSA-N -1 0 308.363 0.484 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCO1 ZINC000119799710 158190929 /nfs/dbraw/zinc/19/09/29/158190929.db2.gz ADPOBCPEOLHMJJ-GFCCVEGCSA-N -1 0 301.368 0.411 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1ccnn1C ZINC000136427203 158342926 /nfs/dbraw/zinc/34/29/26/158342926.db2.gz PCQDHSAWJOJXFM-UHFFFAOYSA-N -1 0 316.364 0.142 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnc3ccccc3n2)C1 ZINC000261624079 158723293 /nfs/dbraw/zinc/72/32/93/158723293.db2.gz GXLOEZDYBNVWRM-NOZJJQNGSA-N -1 0 301.302 0.944 10 0 DCAERM COc1cccc(OC)c1CC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000262103838 158773235 /nfs/dbraw/zinc/77/32/35/158773235.db2.gz FTPRXICATRVUTC-CMPLNLGQSA-N -1 0 323.345 0.947 10 0 DCAERM C/C=C/C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000263257831 158866578 /nfs/dbraw/zinc/86/65/78/158866578.db2.gz IURXZCPCOJDVAJ-NBYFHADBSA-N -1 0 321.420 0.442 10 0 DCAERM O=C([O-])[C@@H](Cc1ccccc1)Nc1cncc(OCCO)n1 ZINC000263383323 158876589 /nfs/dbraw/zinc/87/65/89/158876589.db2.gz DDEJYGRWSUDVJJ-GFCCVEGCSA-N -1 0 303.318 0.956 10 0 DCAERM CN1CC[C@H]([NH2+]Cc2nn(C)c(=O)[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329785064 159119689 /nfs/dbraw/zinc/11/96/89/159119689.db2.gz PTIRJJKQVYKTPB-JSGCOSHPSA-N -1 0 323.347 0.922 10 0 DCAERM CCn1cnc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000329988692 159133841 /nfs/dbraw/zinc/13/38/41/159133841.db2.gz HLDCCELFHKQULF-LBPRGKRZSA-N -1 0 314.411 0.045 10 0 DCAERM C[C@@H]1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@H]1O ZINC000408090482 160033313 /nfs/dbraw/zinc/03/33/13/160033313.db2.gz CUYOBBCGZMUBLC-ZWNOBZJWSA-N -1 0 312.391 0.901 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408131111 160043467 /nfs/dbraw/zinc/04/34/67/160043467.db2.gz GIFUSAOWQWGSQW-NXEZZACHSA-N -1 0 301.368 0.430 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)O1 ZINC000408174762 160052692 /nfs/dbraw/zinc/05/26/92/160052692.db2.gz UHNODEGJWSZIMF-IUCAKERBSA-N -1 0 315.351 0.038 10 0 DCAERM CC[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)C1COC1 ZINC000408475162 160116064 /nfs/dbraw/zinc/11/60/64/160116064.db2.gz CAXKTECXMSZXAS-JQWIXIFHSA-N -1 0 305.396 0.817 10 0 DCAERM O=C([N-]S(=O)(=O)c1ncccc1F)[C@@H]1CCCOCC1 ZINC000408478302 160117212 /nfs/dbraw/zinc/11/72/12/160117212.db2.gz CILPQDHSDWHCAD-SECBINFHSA-N -1 0 302.327 0.842 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCOCC2)nc1C ZINC000408485486 160118212 /nfs/dbraw/zinc/11/82/12/160118212.db2.gz QKLGMJHNIMHVLI-NSHDSACASA-N -1 0 315.395 0.833 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408483428 160118406 /nfs/dbraw/zinc/11/84/06/160118406.db2.gz WTIMQBZTOQZJLE-SNVBAGLBSA-N -1 0 300.384 0.099 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCC(=O)NC1 ZINC000408492793 160118916 /nfs/dbraw/zinc/11/89/16/160118916.db2.gz FIFLFIBPGDXDQM-YAMSLAJTSA-N -1 0 314.407 0.537 10 0 DCAERM CC(C)[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408487755 160119039 /nfs/dbraw/zinc/11/90/39/160119039.db2.gz WSZOIGRDLZEPIJ-TUAOUCFPSA-N -1 0 305.396 0.673 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cn2c(n1)CCC2 ZINC000408497859 160119603 /nfs/dbraw/zinc/11/96/03/160119603.db2.gz KBPRSFIWNKIBMU-JTQLQIEISA-N -1 0 313.379 0.458 10 0 DCAERM O=C(Cc1nnn[n-]1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000408496201 160119722 /nfs/dbraw/zinc/11/97/22/160119722.db2.gz GMSYDAVBUGQEAR-UHFFFAOYSA-N -1 0 322.756 0.871 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000408505441 160120166 /nfs/dbraw/zinc/12/01/66/160120166.db2.gz ZDTZBOJFNJJHFT-LLVKDONJSA-N -1 0 315.370 0.900 10 0 DCAERM CC(C)[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000087491929 286931259 /nfs/dbraw/zinc/93/12/59/286931259.db2.gz LHUMRUORVSFGPV-MXWKQRLJSA-N -1 0 308.400 0.287 10 0 DCAERM CC[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)CC(=O)[O-] ZINC000147323691 287030185 /nfs/dbraw/zinc/03/01/85/287030185.db2.gz JLEDYFTWKJKDNW-MXWKQRLJSA-N -1 0 308.400 0.431 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])C[C@@H](C)O1 ZINC000251609387 287119568 /nfs/dbraw/zinc/11/95/68/287119568.db2.gz GTZGHJUCBPJHLF-UZWSLXQKSA-N -1 0 320.411 0.573 10 0 DCAERM C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)CC(=O)[O-] ZINC000147282841 298775998 /nfs/dbraw/zinc/77/59/98/298775998.db2.gz AYMBYXAJGKZSBE-ZETCQYMHSA-N -1 0 313.335 0.245 10 0 DCAERM COc1cncc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000424364115 287305661 /nfs/dbraw/zinc/30/56/61/287305661.db2.gz CTKKXZNXQSQESP-BXKDBHETSA-N -1 0 314.363 0.964 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000125572972 415868414 /nfs/dbraw/zinc/86/84/14/415868414.db2.gz WLLOFCWGRJFASL-UHFFFAOYSA-N -1 0 324.362 0.943 10 0 DCAERM O=C([O-])c1cccc(CC(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000263550779 416338092 /nfs/dbraw/zinc/33/80/92/416338092.db2.gz WHJZTOOSUDHXSE-INIZCTEOSA-N -1 0 305.330 0.945 10 0 DCAERM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000359372384 416344188 /nfs/dbraw/zinc/34/41/88/416344188.db2.gz RYFXRARKVZSFMS-RQJHMYQMSA-N -1 0 300.340 0.152 10 0 DCAERM CC(=O)Nc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1F ZINC000434280247 416468823 /nfs/dbraw/zinc/46/88/23/416468823.db2.gz LXAMBTHAFRACPD-UHFFFAOYSA-N -1 0 304.285 0.716 10 0 DCAERM CCn1cc(C(=O)C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1 ZINC000537123598 416552951 /nfs/dbraw/zinc/55/29/51/416552951.db2.gz YQNPKLSACJQKSE-SECBINFHSA-N -1 0 303.326 0.005 10 0 DCAERM CC(C)(C)c1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)no1 ZINC000439155270 416608826 /nfs/dbraw/zinc/60/88/26/416608826.db2.gz TWXIBRAAYPJVDD-UHFFFAOYSA-N -1 0 313.339 0.746 10 0 DCAERM O=C(C1CCC(F)(F)CC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000368579186 416671443 /nfs/dbraw/zinc/67/14/43/416671443.db2.gz BPZRQLRBVSIPNU-SECBINFHSA-N -1 0 301.297 0.925 10 0 DCAERM C[P@](=O)([O-])OC[C@@H]1CS[C@H](n2ccc(N)nc2=O)O1 ZINC000616585278 417079738 /nfs/dbraw/zinc/07/97/38/417079738.db2.gz HDXIGMHLMMNQKS-HZGVNTEJSA-N -1 0 307.268 0.488 10 0 DCAERM NS(=O)(=O)N1CCCOC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616649067 417085959 /nfs/dbraw/zinc/08/59/59/417085959.db2.gz QOEHPQYISJZZFW-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)on1 ZINC000527484209 417244489 /nfs/dbraw/zinc/24/44/89/417244489.db2.gz VRLCTXKYSOXFJY-LDYMZIIASA-N -1 0 302.352 0.855 10 0 DCAERM CN(CCC(=O)[O-])C(=O)NCc1c(Br)cnn1C ZINC000635530238 417692177 /nfs/dbraw/zinc/69/21/77/417692177.db2.gz UOKPJELOCBMYIQ-UHFFFAOYSA-N -1 0 319.159 0.799 10 0 DCAERM CO[C@H]1CN(S(=O)(=O)N2CCCCC2)[C@@](C)(C(=O)[O-])C1 ZINC000629308455 417776912 /nfs/dbraw/zinc/77/69/12/417776912.db2.gz JFZQXZYALZXTOS-ZYHUDNBSSA-N -1 0 306.384 0.281 10 0 DCAERM C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCS1(=O)=O ZINC000659424122 418095691 /nfs/dbraw/zinc/09/56/91/418095691.db2.gz CEYCRZMJVIAVTO-VIFPVBQESA-N -1 0 304.368 0.070 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@H](C)O1 ZINC000656725336 418373043 /nfs/dbraw/zinc/37/30/43/418373043.db2.gz UZCZAGZBRBTUAX-SFYZADRCSA-N -1 0 303.340 0.296 10 0 DCAERM CNC(=O)[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCO1 ZINC000183988567 545909857 /nfs/dbraw/zinc/90/98/57/545909857.db2.gz ABVFRURZHJWEGC-JTQLQIEISA-N -1 0 300.261 0.257 10 0 DCAERM C/C=C/C[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000263256577 277745830 /nfs/dbraw/zinc/74/58/30/277745830.db2.gz IOSFUILWKSXEGC-YJOJJWFDSA-N -1 0 320.411 0.486 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)[O-] ZINC000091302944 278419565 /nfs/dbraw/zinc/41/95/65/278419565.db2.gz OKJKVSKEBWHJLR-OPRDCNLKSA-N -1 0 319.379 0.741 10 0 DCAERM Cc1nc(CN([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C)cs1 ZINC000548216672 288122225 /nfs/dbraw/zinc/12/22/25/288122225.db2.gz KVKXXRAZNFIBJT-ZETCQYMHSA-N -1 0 307.397 0.533 10 0 DCAERM CCCSC[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-] ZINC000548248034 288125045 /nfs/dbraw/zinc/12/50/45/288125045.db2.gz HDPLKXDTWUUWIZ-UWVGGRQHSA-N -1 0 310.441 0.902 10 0 DCAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CN2CCCCCC2=O)C1 ZINC000263046004 294654478 /nfs/dbraw/zinc/65/44/78/294654478.db2.gz NOORFVDPNQFJME-NEPJUHHUSA-N -1 0 312.366 0.480 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000262124982 298368582 /nfs/dbraw/zinc/36/85/82/298368582.db2.gz GVDIATRTJJTLIH-SECBINFHSA-N -1 0 314.363 0.458 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)[C@@H]1CNC(=O)C1 ZINC000408495979 303818915 /nfs/dbraw/zinc/81/89/15/303818915.db2.gz OWPRJOHMYLCJNZ-WFBLGPOFSA-N -1 0 300.380 0.147 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1 ZINC000394213504 337106819 /nfs/dbraw/zinc/10/68/19/337106819.db2.gz HFQRYNVMIINSCY-MXWKQRLJSA-N -1 0 306.384 0.137 10 0 DCAERM CCCN(CCC)S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000037420121 337363791 /nfs/dbraw/zinc/36/37/91/337363791.db2.gz OXOGHZGSPDEBPB-NSHDSACASA-N -1 0 318.399 0.362 10 0 DCAERM CC(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000262981460 519444043 /nfs/dbraw/zinc/44/40/43/519444043.db2.gz JMSATXJWAKWACZ-CQSZACIVSA-N -1 0 306.318 0.342 10 0 DCAERM Cc1ccc(S([O-])=CC(=O)N2CCC[C@@H](C(N)=O)C2)nc1 ZINC000157099373 526090207 /nfs/dbraw/zinc/09/02/07/526090207.db2.gz WNBZBMRYSPEKAY-WSVYEEACSA-N -1 0 309.391 0.222 10 0 DCAERM C[C@H](CS(C)(=O)=O)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000081905504 545695882 /nfs/dbraw/zinc/69/58/82/545695882.db2.gz CXPABECWYIQSCR-SECBINFHSA-N -1 0 306.384 0.316 10 0 DCAERM CCOCCS(=O)(=O)N[C@H](C)c1nc(C(=O)[O-])cs1 ZINC000090941041 545716766 /nfs/dbraw/zinc/71/67/66/545716766.db2.gz DSIBYXISUAKWAP-SSDOTTSWSA-N -1 0 308.381 0.858 10 0 DCAERM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131731689 545792114 /nfs/dbraw/zinc/79/21/14/545792114.db2.gz NCYJVGCSOVBOIJ-VIFPVBQESA-N -1 0 300.355 0.287 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])C[C@@H](C)O1 ZINC000134660962 545801312 /nfs/dbraw/zinc/80/13/12/545801312.db2.gz DWNFEWLKHUKXKS-RNFRBKRXSA-N -1 0 306.365 0.639 10 0 DCAERM CS(=O)(=O)N1CC(CNC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000187317757 545915762 /nfs/dbraw/zinc/91/57/62/545915762.db2.gz HJYPQHATZYOHFK-UHFFFAOYSA-N -1 0 320.317 0.292 10 0 DCAERM CC[C@@H]1C[C@@H](C(=O)[O-])[C@@H](C(=O)N=S2(=O)CCNCC2)C1 ZINC000712148259 548749144 /nfs/dbraw/zinc/74/91/44/548749144.db2.gz OGMVZSSPPZJCSX-GARJFASQSA-N -1 0 302.396 0.721 10 0 DCAERM CC(C)(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])S(C)(=O)=O ZINC000093535164 660430824 /nfs/dbraw/zinc/43/08/24/660430824.db2.gz MMYBRLPHALACAC-LBPRGKRZSA-N -1 0 306.384 0.458 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCCC2CC=CC2)C1 ZINC000724214665 658062263 /nfs/dbraw/zinc/06/22/63/658062263.db2.gz WXODUXUWFJAZAT-GFCCVEGCSA-N -1 0 302.396 0.974 10 0 DCAERM CN1N=C(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])CCC1=O ZINC000262233473 658861884 /nfs/dbraw/zinc/86/18/84/658861884.db2.gz XBDKRJCERSRKJQ-JTQLQIEISA-N -1 0 313.354 0.369 10 0 DCAERM O=C([O-])COCCNC(=O)c1ccc(Br)nc1 ZINC000093227534 659197015 /nfs/dbraw/zinc/19/70/15/659197015.db2.gz HYWUAVJFSZWLHW-UHFFFAOYSA-N -1 0 303.112 0.675 10 0 DCAERM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCCn1ccnn1 ZINC000194478584 659503301 /nfs/dbraw/zinc/50/33/01/659503301.db2.gz YVNOZAWGKDTDBD-VIFPVBQESA-N -1 0 321.303 0.488 10 0 DCAERM O=C([O-])c1nccnc1C(=O)NCCc1nnc2ccccn21 ZINC000222426087 661612239 /nfs/dbraw/zinc/61/22/39/661612239.db2.gz XJKDXLILWWVRDQ-UHFFFAOYSA-N -1 0 312.289 0.190 10 0 DCAERM Cc1cc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)nn1C ZINC000262152620 662118376 /nfs/dbraw/zinc/11/83/76/662118376.db2.gz JQPBHROHKJXHHZ-LLVKDONJSA-N -1 0 322.365 0.124 10 0 DCAERM CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000262971158 662608740 /nfs/dbraw/zinc/60/87/40/662608740.db2.gz RUWCKVUAGYRPGM-VQXHTEKXSA-N -1 0 318.395 0.028 10 0 DCAERM COC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)C(=O)[O-] ZINC000263382167 662682449 /nfs/dbraw/zinc/68/24/49/662682449.db2.gz BNCADFRILGOTPE-AAEUAGOBSA-N -1 0 320.345 0.564 10 0 DCAERM NC(=O)c1cc([C@@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)n[nH]1 ZINC000263406839 662685725 /nfs/dbraw/zinc/68/57/25/662685725.db2.gz KYEFRAVLWMUOBQ-SECBINFHSA-N -1 0 315.333 0.986 10 0 DCAERM O=C([O-])C1CN(C(=O)NCCn2cc(Br)cn2)C1 ZINC000310994336 662871740 /nfs/dbraw/zinc/87/17/40/662871740.db2.gz IIQSLKVHFGYCQM-UHFFFAOYSA-N -1 0 317.143 0.372 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000163220455 663452446 /nfs/dbraw/zinc/45/24/46/663452446.db2.gz SXKLTGKUIAYIKH-PRHODGIISA-N -1 0 310.331 0.347 10 0 DCAERM Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)n1 ZINC000183148221 665992318 /nfs/dbraw/zinc/99/23/18/665992318.db2.gz YTIGBQQGSCEJQN-UHFFFAOYSA-N -1 0 318.358 0.480 10 0 DCAERM Cc1nc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)oc1C ZINC000886071735 667728376 /nfs/dbraw/zinc/72/83/76/667728376.db2.gz BVNWKKKKMMRIOG-OAHLLOKOSA-N -1 0 309.366 0.653 10 0 DCAERM CN1C[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)CCC1=O ZINC000130938104 669647644 /nfs/dbraw/zinc/64/76/44/669647644.db2.gz OYJLOOFCVFMLPJ-SECBINFHSA-N -1 0 300.318 0.274 10 0 DCAERM CC1CCN(S(=O)(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC000715271405 670207117 /nfs/dbraw/zinc/20/71/17/670207117.db2.gz QUZXAJUKEISLAM-RKDXNWHRSA-N -1 0 312.338 0.519 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])C(=O)COCc1ccccc1 ZINC000715723392 670220013 /nfs/dbraw/zinc/22/00/13/670220013.db2.gz GBEWAPNDZGFVCW-UHFFFAOYSA-N -1 0 309.318 0.680 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])C(=O)c1sc(C)nc1C ZINC000715771923 670221636 /nfs/dbraw/zinc/22/16/36/670221636.db2.gz WGUWESANOQAGDG-UHFFFAOYSA-N -1 0 300.336 0.850 10 0 DCAERM CC(C)CS(=O)(=O)[N-]C(=O)c1cccc(-n2cncn2)c1 ZINC000115910928 670973567 /nfs/dbraw/zinc/97/35/67/670973567.db2.gz FDHXVCMOMCSOEH-UHFFFAOYSA-N -1 0 308.363 0.983 10 0 DCAERM Cn1cc(Br)c(CNC(=O)C2(C(=O)[O-])CC2)n1 ZINC000393306742 685263871 /nfs/dbraw/zinc/26/38/71/685263871.db2.gz ZJBCLWCDGLYKRZ-UHFFFAOYSA-N -1 0 302.128 0.664 10 0 DCAERM CO[C@@]1(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)CCSC1 ZINC000719223245 685309011 /nfs/dbraw/zinc/30/90/11/685309011.db2.gz YVRROHULNQIHLR-NEPJUHHUSA-N -1 0 304.368 0.051 10 0 DCAERM CO[C@@]1(CNC(=O)N[C@H](CC(F)F)C(=O)[O-])CCSC1 ZINC000719225625 685309094 /nfs/dbraw/zinc/30/90/94/685309094.db2.gz BOEWWLZRXONOTG-RDDDGLTNSA-N -1 0 312.338 0.916 10 0 DCAERM COC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000380177875 685236616 /nfs/dbraw/zinc/23/66/16/685236616.db2.gz AQQKELFXWBFSMG-VIFPVBQESA-N -1 0 300.336 0.437 10 0 DCAERM CO[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(C)C ZINC000381680440 685239812 /nfs/dbraw/zinc/23/98/12/685239812.db2.gz JNWNXXPLAIZWMD-SNVBAGLBSA-N -1 0 302.352 0.729 10 0 DCAERM CCOC(=O)N[N-]C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000029559705 1171417457 /nfs/dbraw/zinc/41/74/57/1171417457.db2.gz SPGNUZRLLCINMF-UHFFFAOYSA-N -1 0 305.290 0.881 10 0 DCAERM C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000261914537 1185159012 /nfs/dbraw/zinc/15/90/12/1185159012.db2.gz QRLZGSANHJGNQB-SECBINFHSA-N -1 0 322.296 0.586 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3nccnc3c2)C1 ZINC000261970299 1185160860 /nfs/dbraw/zinc/16/08/60/1185160860.db2.gz PZPHNNYNPUUMBZ-MFKMUULPSA-N -1 0 301.302 0.944 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCc2nc(C(C)C)no2)C1 ZINC000262142155 1185162339 /nfs/dbraw/zinc/16/23/39/1185162339.db2.gz MESHSFGZRYVYDG-ZJUUUORDSA-N -1 0 311.338 0.826 10 0 DCAERM COCc1nc(C(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])cs1 ZINC000262188053 1185163733 /nfs/dbraw/zinc/16/37/33/1185163733.db2.gz TYHCIMKAHKGBJL-APPZFPTMSA-N -1 0 300.336 0.604 10 0 DCAERM COc1ccc(CC(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])cc1OC ZINC000262424370 1185168599 /nfs/dbraw/zinc/16/85/99/1185168599.db2.gz FHGRSSVTFWIHOK-NEPJUHHUSA-N -1 0 323.345 0.947 10 0 DCAERM CO[C@H](CNC(=O)CCN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC000263043770 1185175570 /nfs/dbraw/zinc/17/55/70/1185175570.db2.gz FBOPSRXCGGCEDF-CYBMUJFWSA-N -1 0 320.345 0.572 10 0 DCAERM CCS(=O)(=O)CCNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC000688590070 954631711 /nfs/dbraw/zinc/63/17/11/954631711.db2.gz IWMHVJHKXPKHJZ-UHFFFAOYSA-N -1 0 305.396 0.674 10 0 DCAERM CS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC000693028757 954721077 /nfs/dbraw/zinc/72/10/77/954721077.db2.gz JSXHCXARAPBGOI-OPRDCNLKSA-N -1 0 304.368 0.068 10 0 DCAERM Cn1ncc(Br)c1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000693484893 954760464 /nfs/dbraw/zinc/76/04/64/954760464.db2.gz AZATUADQJAKXBL-NKWVEPMBSA-N -1 0 316.155 0.910 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000694646862 954779941 /nfs/dbraw/zinc/77/99/41/954779941.db2.gz VWCFPUISKNCYKG-ZWNOBZJWSA-N -1 0 303.380 0.667 10 0 DCAERM C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000688094454 976166921 /nfs/dbraw/zinc/16/69/21/976166921.db2.gz JKWXIUPWMPNTQW-BDAKNGLRSA-N -1 0 303.336 0.902 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c[nH]1 ZINC000691316270 976352252 /nfs/dbraw/zinc/35/22/52/976352252.db2.gz HIGZIPLUOCNIFV-GZMMTYOYSA-N -1 0 300.336 0.559 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCNC2=O)c(Cl)c1 ZINC000693921489 976659069 /nfs/dbraw/zinc/65/90/69/976659069.db2.gz QCBAWSRRGLWKFF-QMMMGPOBSA-N -1 0 318.738 0.205 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c1 ZINC000694210816 976682158 /nfs/dbraw/zinc/68/21/58/976682158.db2.gz WDTZLKKZWLHAFB-YFKPBYRVSA-N -1 0 303.214 0.179 10 0 DCAERM C[C@H](CCNS(=O)(=O)c1cc(C(=O)[O-])co1)[S@](C)=O ZINC000694213530 976684147 /nfs/dbraw/zinc/68/41/47/976684147.db2.gz XPPZVBFJUQQBPL-MDTSDYNXSA-N -1 0 309.365 0.413 10 0 DCAERM C[C@](O)(CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(F)(F)F ZINC000698595074 976895719 /nfs/dbraw/zinc/89/57/19/976895719.db2.gz SCZQNGRPSMLDJH-QMMMGPOBSA-N -1 0 316.257 0.305 10 0 DCAERM CCC(CC)(CNC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000263063392 282089004 /nfs/dbraw/zinc/08/90/04/282089004.db2.gz NLRQPESKKCNKBY-UHFFFAOYSA-N -1 0 320.353 0.416 10 0 DCAERM CCCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262137289 282582430 /nfs/dbraw/zinc/58/24/30/282582430.db2.gz JGYNUPSHJLDOMD-UTUOFQBUSA-N -1 0 312.366 0.478 10 0 DCAERM CC(=O)c1cccc(O[C@H](C)C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280036704 215329122 /nfs/dbraw/zinc/32/91/22/215329122.db2.gz FWEMIOYNULMBSI-SNVBAGLBSA-N -1 0 319.317 0.692 10 0 DCAERM O=C([O-])C1CN(c2nc3ccccc3nc2N2CCOCC2)C1 ZINC000263552188 304042961 /nfs/dbraw/zinc/04/29/61/304042961.db2.gz LRBOXQWXPRHFAR-UHFFFAOYSA-N -1 0 314.345 0.987 10 0 DCAERM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 ZINC000005383104 181237329 /nfs/dbraw/zinc/23/73/29/181237329.db2.gz ZQELJNNXJDZHRN-UHFFFAOYSA-N -1 0 320.330 0.554 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1CNC(=O)C1 ZINC000195285370 237509447 /nfs/dbraw/zinc/50/94/47/237509447.db2.gz SLIMWLRJDPNVCJ-GFCCVEGCSA-N -1 0 322.386 0.506 10 0 DCAERM O=C(C[C@@H]1NC(=O)NC1=O)Nc1cnn(Cc2ccccc2)c1 ZINC000154698189 291215192 /nfs/dbraw/zinc/21/51/92/291215192.db2.gz AGEHTADIRCXPKF-LBPRGKRZSA-N -1 0 313.317 0.468 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)[C@H]1C(=O)[O-] ZINC000299900198 291251293 /nfs/dbraw/zinc/25/12/93/291251293.db2.gz NONBTZIVSVEVBM-LNFKQOIKSA-N -1 0 306.384 0.135 10 0 DCAERM O=C([O-])/C=C/C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000006472869 181343194 /nfs/dbraw/zinc/34/31/94/181343194.db2.gz HPTJFPSVNXRQLK-FSIBCCDJSA-N -1 0 313.331 0.436 10 0 DCAERM CCCc1nnc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)s1 ZINC000016900682 182063225 /nfs/dbraw/zinc/06/32/25/182063225.db2.gz ZKMXRLRXEBJNNS-LURJTMIESA-N -1 0 315.376 0.940 10 0 DCAERM COc1cccc(/C=C/C(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000016891086 182062374 /nfs/dbraw/zinc/06/23/74/182062374.db2.gz PDXNQTUQNBBLHN-FZKGZDJFSA-N -1 0 306.318 0.543 10 0 DCAERM C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020180751 182195155 /nfs/dbraw/zinc/19/51/55/182195155.db2.gz OXNDXXOPDOFNTM-SECBINFHSA-N -1 0 304.393 0.528 10 0 DCAERM C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)C(=O)[O-] ZINC000022159883 182311431 /nfs/dbraw/zinc/31/14/31/182311431.db2.gz AQBLOJALAAAVQB-MRVPVSSYSA-N -1 0 315.351 0.002 10 0 DCAERM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2 ZINC000105822732 194138697 /nfs/dbraw/zinc/13/86/97/194138697.db2.gz ZAPHKADRPGVFEQ-JGVFFNPUSA-N -1 0 312.347 0.884 10 0 DCAERM CC[C@@H](C(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000063130856 184272166 /nfs/dbraw/zinc/27/21/66/184272166.db2.gz BAEJRIJOVUEORJ-JTQLQIEISA-N -1 0 306.361 0.727 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000092890153 395733965 /nfs/dbraw/zinc/73/39/65/395733965.db2.gz DCISIEWYBZJRDI-UWVGGRQHSA-N -1 0 301.368 0.825 10 0 DCAERM COC(=O)CCCS(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000049061999 395827780 /nfs/dbraw/zinc/82/77/80/395827780.db2.gz WNXKDKGSMYMBNZ-UHFFFAOYSA-N -1 0 317.319 0.785 10 0 DCAERM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000228465048 395871790 /nfs/dbraw/zinc/87/17/90/395871790.db2.gz MKDGMXOICJNFLY-OUAUKWLOSA-N -1 0 308.400 0.429 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000230811603 395881885 /nfs/dbraw/zinc/88/18/85/395881885.db2.gz YQGPNIZJFUGMNQ-HTQZYQBOSA-N -1 0 321.786 0.995 10 0 DCAERM C[C@@H](CO)[C@@H](C)NC(=O)CNS(=O)(=O)c1cccs1 ZINC000151936184 395996797 /nfs/dbraw/zinc/99/67/97/395996797.db2.gz ROHOTUJYUYKOJS-DTWKUNHWSA-N -1 0 306.409 0.160 10 0 DCAERM C[C@@H]1CS(=O)(=O)CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000172408616 396131417 /nfs/dbraw/zinc/13/14/17/396131417.db2.gz AYIXKSUDVZDBMA-SSDOTTSWSA-N -1 0 305.302 0.930 10 0 DCAERM O=C([O-])[C@]12CN(C(=O)CCCNC(=O)C3CC3)C[C@H]1COCC2 ZINC000262431515 396139775 /nfs/dbraw/zinc/13/97/75/396139775.db2.gz RQDRQZJYDGPXBB-BLLLJJGKSA-N -1 0 324.377 0.243 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 ZINC000263095354 396201272 /nfs/dbraw/zinc/20/12/72/396201272.db2.gz QSZZVIXZPKYGQA-GARJFASQSA-N -1 0 314.382 0.628 10 0 DCAERM CNC(=O)NC1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263434639 396217162 /nfs/dbraw/zinc/21/71/62/396217162.db2.gz ZOPKNFFTMJWIPA-UHFFFAOYSA-N -1 0 306.322 0.208 10 0 DCAERM COc1cccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1F ZINC000372345670 396509728 /nfs/dbraw/zinc/50/97/28/396509728.db2.gz HXCDDJWCVZCZGX-JTQLQIEISA-N -1 0 307.285 0.561 10 0 DCAERM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCn1cc(Br)cn1 ZINC000311171740 396759049 /nfs/dbraw/zinc/75/90/49/396759049.db2.gz TWWXEJHNKCGGHW-IUCAKERBSA-N -1 0 316.155 0.873 10 0 DCAERM CNS(=O)(=O)C[C@H]1CCCN(c2cccc(C(=O)[O-])n2)C1 ZINC000629770859 396826866 /nfs/dbraw/zinc/82/68/66/396826866.db2.gz CSJSCTVELAXUAN-JTQLQIEISA-N -1 0 313.379 0.545 10 0 DCAERM O=C([O-])[C@]1(CNS(=O)(=O)CCC2CCC2)CCCOC1 ZINC000630432072 397019477 /nfs/dbraw/zinc/01/94/77/397019477.db2.gz JGBSUDJQNFDWEQ-ZDUSSCGKSA-N -1 0 305.396 0.977 10 0 DCAERM COCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630649321 397069732 /nfs/dbraw/zinc/06/97/32/397069732.db2.gz IQJIQPPURJDYEH-UONOGXRCSA-N -1 0 306.362 0.867 10 0 DCAERM CCn1cc(CN(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])N2C2CC2)cn1 ZINC000630657836 397073022 /nfs/dbraw/zinc/07/30/22/397073022.db2.gz ACGYXEGEIHTAEF-ZIAGYGMSSA-N -1 0 320.393 0.941 10 0 DCAERM CCn1cc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])N2C2CC2)cn1 ZINC000630657834 397073181 /nfs/dbraw/zinc/07/31/81/397073181.db2.gz ACGYXEGEIHTAEF-UONOGXRCSA-N -1 0 320.393 0.941 10 0 DCAERM C[C@H]1C(=O)CC[C@H](C(=O)[N-]S(=O)(=O)C2COC2)C1(C)C ZINC000408475043 397357676 /nfs/dbraw/zinc/35/76/76/397357676.db2.gz AZVCQDMSQQDGMT-WCBMZHEXSA-N -1 0 303.380 0.473 10 0 DCAERM COC(=O)C(C)(C)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000614649614 397491110 /nfs/dbraw/zinc/49/11/10/397491110.db2.gz CPBINAWTZAQUCY-UHFFFAOYSA-N -1 0 310.354 0.133 10 0 DCAERM Cn1nccc1S(=O)(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000124117884 158237933 /nfs/dbraw/zinc/23/79/33/158237933.db2.gz OFOUQTMXHAKXEJ-LLVKDONJSA-N -1 0 307.331 0.625 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000194483174 158597382 /nfs/dbraw/zinc/59/73/82/158597382.db2.gz RULAAYSSCPDPAY-WDEREUQCSA-N -1 0 301.306 0.645 10 0 DCAERM C[C@@H](Oc1ccccc1F)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000261884083 158750317 /nfs/dbraw/zinc/75/03/17/158750317.db2.gz MYEMOCUCBDRIBX-SECBINFHSA-N -1 0 322.296 0.586 10 0 DCAERM COCC(=O)N1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC000262882771 158846077 /nfs/dbraw/zinc/84/60/77/158846077.db2.gz FSOSBBSEUOMIOB-UHFFFAOYSA-N -1 0 312.366 0.195 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000262950533 158850615 /nfs/dbraw/zinc/85/06/15/158850615.db2.gz MLSXXVLKLAKRGP-MRVPVSSYSA-N -1 0 318.351 0.312 10 0 DCAERM CC[C@@](CNC(=O)Cn1cnnn1)(C(=O)[O-])c1ccccc1 ZINC000262976707 158851429 /nfs/dbraw/zinc/85/14/29/158851429.db2.gz KNAQPJKTMRHDHS-AWEZNQCLSA-N -1 0 303.322 0.222 10 0 DCAERM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)nc1C ZINC000408125967 160043134 /nfs/dbraw/zinc/04/31/34/160043134.db2.gz HZBGWQVMUWAAEO-NSHDSACASA-N -1 0 313.379 0.640 10 0 DCAERM CC(C)(C)c1n[nH]cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408135449 160045151 /nfs/dbraw/zinc/04/51/51/160045151.db2.gz YICIWNVQFOTXRS-MRVPVSSYSA-N -1 0 301.368 0.556 10 0 DCAERM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCO2)c1 ZINC000408443010 160108505 /nfs/dbraw/zinc/10/85/05/160108505.db2.gz NZGAEWPVDLZBMY-ZDUSSCGKSA-N -1 0 315.395 0.913 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408452194 160110856 /nfs/dbraw/zinc/11/08/56/160110856.db2.gz OAKMHPDDEWKOFU-NSHDSACASA-N -1 0 314.411 0.408 10 0 DCAERM Cn1cnc(S(=O)(=O)[N-]C(=O)C2(C)COC(C)(C)OC2)c1 ZINC000408503655 160120325 /nfs/dbraw/zinc/12/03/25/160120325.db2.gz STWLXMFVTFPBNU-UHFFFAOYSA-N -1 0 317.367 0.014 10 0 DCAERM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCC2CCCC2)C1 ZINC000408504362 160120527 /nfs/dbraw/zinc/12/05/27/160120527.db2.gz WWHOFDKWDHJWCU-JQWIXIFHSA-N -1 0 316.423 0.927 10 0 DCAERM CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@@H]2OCC[C@@H]2C)cn1 ZINC000408504093 160120561 /nfs/dbraw/zinc/12/05/61/160120561.db2.gz WMSWENLHOYDRPH-GXSJLCMTSA-N -1 0 301.368 0.694 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C[C@@H](C)O1 ZINC000136742743 287027230 /nfs/dbraw/zinc/02/72/30/287027230.db2.gz APWJEHAGIGTOHO-MXWKQRLJSA-N -1 0 322.427 0.819 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000248428095 287096845 /nfs/dbraw/zinc/09/68/45/287096845.db2.gz QQBIZNYOILBWOC-VXGBXAGGSA-N -1 0 304.412 0.486 10 0 DCAERM C[C@@H](CCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000252861114 287121162 /nfs/dbraw/zinc/12/11/62/287121162.db2.gz OGAYEOVASVJGDR-HBNTYKKESA-N -1 0 308.400 0.431 10 0 DCAERM O=C(Cn1cnc(-c2ccccc2)n1)NC1(c2nnn[n-]2)CC1 ZINC000357053515 287203219 /nfs/dbraw/zinc/20/32/19/287203219.db2.gz SOGCQDCIDQSZAK-UHFFFAOYSA-N -1 0 310.321 0.264 10 0 DCAERM CC[C@H](C)[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000036967654 415191888 /nfs/dbraw/zinc/19/18/88/415191888.db2.gz DDCPOTCUMGCLBS-OIBJUYFYSA-N -1 0 303.384 0.815 10 0 DCAERM CC(C)(CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000164869368 416018405 /nfs/dbraw/zinc/01/84/05/416018405.db2.gz JEKFSOLJXFXGEQ-UHFFFAOYSA-N -1 0 312.347 0.570 10 0 DCAERM COc1ccc(OCC(=O)NC2(c3nnn[n-]3)CC2)cc1C ZINC000357049264 416026573 /nfs/dbraw/zinc/02/65/73/416026573.db2.gz NGGFQLWILNXIGZ-UHFFFAOYSA-N -1 0 303.322 0.701 10 0 DCAERM Cc1cccc(C(=O)N[C@H](C)C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357061252 416026812 /nfs/dbraw/zinc/02/68/12/416026812.db2.gz UYQHYMOIASIXHY-SNVBAGLBSA-N -1 0 314.349 0.432 10 0 DCAERM Cn1ncc2c1[n-]cc(C(=O)N1CCN3CCCC[C@H]3C1)c2=O ZINC000179459296 416189053 /nfs/dbraw/zinc/18/90/53/416189053.db2.gz KKXQPQPEHVVUNZ-NSHDSACASA-N -1 0 315.377 0.984 10 0 DCAERM CC1(C)CN(c2nc3n[nH]cc3c(=O)[nH]2)C[C@@]2(CCOC2)O1 ZINC000360248784 416381974 /nfs/dbraw/zinc/38/19/74/416381974.db2.gz JQFYMYIPJGFGEC-CQSZACIVSA-N -1 0 305.338 0.833 10 0 DCAERM CO[C@@](C)(C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)c1ccccc1 ZINC000361482001 416440522 /nfs/dbraw/zinc/44/05/22/416440522.db2.gz SXDZXEOJXYIRIP-CYBMUJFWSA-N -1 0 324.362 0.709 10 0 DCAERM Cc1[nH]nc2ncc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)cc12 ZINC000557481502 416734998 /nfs/dbraw/zinc/73/49/98/416734998.db2.gz NCHXFVAEGVVCAF-VIFPVBQESA-N -1 0 312.337 0.799 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)[N-]c1cccc(-c2nc[nH]n2)c1 ZINC000559251011 416804111 /nfs/dbraw/zinc/80/41/11/416804111.db2.gz PWGZBOIVEKIBFT-UHFFFAOYSA-N -1 0 320.334 1.151 10 0 DCAERM NS(=O)(=O)N1CCCO[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616651065 417087626 /nfs/dbraw/zinc/08/76/26/417087626.db2.gz OOJZXPFKPRAZLH-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1 ZINC000408477499 417162999 /nfs/dbraw/zinc/16/29/99/417162999.db2.gz OEJAHAGPIAXLNB-QMMMGPOBSA-N -1 0 303.340 0.187 10 0 DCAERM C(Cc1nnc2n1CCC2)N=c1[n-]c(C2CCOCC2)no1 ZINC000569805247 417296835 /nfs/dbraw/zinc/29/68/35/417296835.db2.gz QYULENBWCHPVGO-UHFFFAOYSA-N -1 0 304.354 0.578 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1 ZINC000629309904 417777325 /nfs/dbraw/zinc/77/73/25/417777325.db2.gz YSMFYXXFYMWGKA-ZETCQYMHSA-N -1 0 309.294 0.386 10 0 DCAERM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)N=c1nc(C2CC2)[n-]s1 ZINC000362665706 262058448 /nfs/dbraw/zinc/05/84/48/262058448.db2.gz OYULBHYXMGRNLX-JGVFFNPUSA-N -1 0 312.395 0.706 10 0 DCAERM Cc1oc(Br)cc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000396738040 262163310 /nfs/dbraw/zinc/16/33/10/262163310.db2.gz YXORRBKTUHOESI-UHFFFAOYSA-N -1 0 316.111 0.999 10 0 DCAERM CCCc1nc(=NC(=O)c2cnc3c(c2)nnn3C)s[n-]1 ZINC000546673747 288024932 /nfs/dbraw/zinc/02/49/32/288024932.db2.gz YHSYCFYQTUVVAN-UHFFFAOYSA-N -1 0 303.351 0.842 10 0 DCAERM Cc1nc(CN([C@@H](C)C(=O)[O-])S(=O)(=O)NC2CC2)cs1 ZINC000547578226 288059787 /nfs/dbraw/zinc/05/97/87/288059787.db2.gz DIABQTCEPYMUSF-ZETCQYMHSA-N -1 0 319.408 0.723 10 0 DCAERM Cc1nc(CNS(=O)(=O)N2CCC[C@@H]2C)ccc1C(=O)[O-] ZINC000547901279 288090119 /nfs/dbraw/zinc/09/01/19/288090119.db2.gz SQVWQNJBXHWUQS-VIFPVBQESA-N -1 0 313.379 0.907 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N(CC(=O)[O-])CC(C)C ZINC000262367952 281928993 /nfs/dbraw/zinc/92/89/93/281928993.db2.gz FPERFJUSOUZXNF-SNVBAGLBSA-N -1 0 302.396 0.867 10 0 DCAERM Cn1cc([C@@H]([N-]S(=O)(=O)[C@H]2CCOC2)C(F)(F)F)cn1 ZINC000562614195 288586847 /nfs/dbraw/zinc/58/68/47/288586847.db2.gz PRRZERADTYTCOL-DTWKUNHWSA-N -1 0 313.301 0.732 10 0 DCAERM CN1C[C@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1=O ZINC000237053165 290300358 /nfs/dbraw/zinc/30/03/58/290300358.db2.gz JHDHVSFLOCRJDN-OLZOCXBDSA-N -1 0 302.330 0.503 10 0 DCAERM CN1N=C(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CCC1=O ZINC000261729968 290314780 /nfs/dbraw/zinc/31/47/80/290314780.db2.gz RCCXODONRLPAKD-USWWRNFRSA-N -1 0 307.350 0.839 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000021514847 293924711 /nfs/dbraw/zinc/92/47/11/293924711.db2.gz IEZAYPNBPDCTAC-MWLCHTKSSA-N -1 0 303.311 0.688 10 0 DCAERM COc1ccccc1S(=O)(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000037463431 295378947 /nfs/dbraw/zinc/37/89/47/295378947.db2.gz VPDPOIARYBQLFG-NXEZZACHSA-N -1 0 315.347 0.558 10 0 DCAERM O=C1OCC[C@]12CCCN2S(=O)(=O)[N-]CC(F)(F)F ZINC000195462503 304694273 /nfs/dbraw/zinc/69/42/73/304694273.db2.gz YMFRFHHVMQWCDW-MRVPVSSYSA-N -1 0 302.274 0.165 10 0 DCAERM CC[C@](C)(CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000211110811 331573546 /nfs/dbraw/zinc/57/35/46/331573546.db2.gz COYLDZHKJDZLRR-JFGNBEQYSA-N -1 0 308.400 0.431 10 0 DCAERM CCN(CC(=O)[O-])C(=O)NCCCc1nnc2ccccn21 ZINC000570236375 332729479 /nfs/dbraw/zinc/72/94/79/332729479.db2.gz UGUXJVMHDRPIJY-UHFFFAOYSA-N -1 0 305.338 0.778 10 0 DCAERM C[C@H](O)CC(C)(C)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000393582141 337093098 /nfs/dbraw/zinc/09/30/98/337093098.db2.gz KGECAAQBXRVLIN-ZETCQYMHSA-N -1 0 305.356 0.183 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000070310630 545661651 /nfs/dbraw/zinc/66/16/51/545661651.db2.gz QYXHFPDNOIZOJG-NXEZZACHSA-N -1 0 306.384 0.170 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@H](C)c2nc(C(=O)[O-])cs2)c[nH]1 ZINC000090940963 545716338 /nfs/dbraw/zinc/71/63/38/545716338.db2.gz XNGJPCWXSQITLM-RXMQYKEDSA-N -1 0 316.364 0.912 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000092890212 545724581 /nfs/dbraw/zinc/72/45/81/545724581.db2.gz QGIATLHTECFLMC-SNVBAGLBSA-N -1 0 301.368 0.921 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCc2cnc(C3CC3)nc2)O1 ZINC000262333549 545983939 /nfs/dbraw/zinc/98/39/39/545983939.db2.gz VPCWSDLVVHJLGR-NWDGAFQWSA-N -1 0 305.334 0.645 10 0 DCAERM CC(C)[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000323895145 546036764 /nfs/dbraw/zinc/03/67/64/546036764.db2.gz OFMDTFCDPJLKHW-GFCCVEGCSA-N -1 0 301.368 0.681 10 0 DCAERM C[C@@H](C(=O)[O-])[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000675077177 547658657 /nfs/dbraw/zinc/65/86/57/547658657.db2.gz ZOFVSYRDOIGMOV-XXPCOZGVSA-N -1 0 303.380 0.568 10 0 DCAERM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1c[nH]c(C#N)c1 ZINC000181397829 665574799 /nfs/dbraw/zinc/57/47/99/665574799.db2.gz LCJFROSQMAQVPV-UHFFFAOYSA-N -1 0 318.358 0.993 10 0 DCAERM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])cc1 ZINC000262096767 658463456 /nfs/dbraw/zinc/46/34/56/658463456.db2.gz DRXPZNUUCPYFCS-VIFPVBQESA-N -1 0 314.363 0.578 10 0 DCAERM CNC(=O)[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(C)C ZINC000178688979 658741899 /nfs/dbraw/zinc/74/18/99/658741899.db2.gz KYGPCLVSRVLTPH-NSHDSACASA-N -1 0 302.334 0.424 10 0 DCAERM CN(C(=O)N(CCC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000040591471 658877688 /nfs/dbraw/zinc/87/76/88/658877688.db2.gz AXCLAXVZTNSXGI-JTQLQIEISA-N -1 0 304.368 0.164 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000180106130 658955908 /nfs/dbraw/zinc/95/59/08/658955908.db2.gz XBLKSBCTGIOPNN-CHWSQXEVSA-N -1 0 322.386 0.897 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)[C@@H]1CNC(=O)C1 ZINC000195284353 659753872 /nfs/dbraw/zinc/75/38/72/659753872.db2.gz BBOJWHVCUHPIJT-LBPRGKRZSA-N -1 0 318.354 0.781 10 0 DCAERM CC(=O)N[C@@H](CC(C)C)C(=O)N[N-]C(=O)c1scnc1C ZINC000183279905 666016965 /nfs/dbraw/zinc/01/69/65/666016965.db2.gz OMTBDMXDBGKADM-JTQLQIEISA-N -1 0 312.395 0.763 10 0 DCAERM COc1ccc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])nn1 ZINC000262075018 662020226 /nfs/dbraw/zinc/02/02/26/662020226.db2.gz AVAAUFQKZQBUPR-SNVBAGLBSA-N -1 0 311.338 0.873 10 0 DCAERM Cc1nc([C@@H](C)NC(=O)[C@H]2COCCO2)sc1C(=O)[O-] ZINC000262507575 662429832 /nfs/dbraw/zinc/42/98/32/662429832.db2.gz AIUZTTRFUCVQMG-HTQZYQBOSA-N -1 0 300.336 0.742 10 0 DCAERM Cc1nc([C@@H](C)NC(=O)C2=NN(C)C(=O)CC2)sc1C(=O)[O-] ZINC000262601138 662500129 /nfs/dbraw/zinc/50/01/29/662500129.db2.gz YODSVRXIAZRZIK-SSDOTTSWSA-N -1 0 324.362 0.935 10 0 DCAERM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](OC)C(=O)[O-])C1 ZINC000263080523 662627783 /nfs/dbraw/zinc/62/77/83/662627783.db2.gz LFUIGPWHJAXDRW-TUAOUCFPSA-N -1 0 314.382 0.487 10 0 DCAERM COc1nc(N2CC(C(=O)[O-])C2)nc(N2CCCCCC2)n1 ZINC000263556444 662715904 /nfs/dbraw/zinc/71/59/04/662715904.db2.gz ONHDRXGAVGRPDW-UHFFFAOYSA-N -1 0 307.354 0.781 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](CCO)C2)c(F)c1 ZINC000123160679 663041086 /nfs/dbraw/zinc/04/10/86/663041086.db2.gz TUKFNXBLXPZVPL-SECBINFHSA-N -1 0 317.338 0.917 10 0 DCAERM O=C([O-])c1nccnc1C(=O)NCC1(CN2CCOCC2)CC1 ZINC000223568771 664416401 /nfs/dbraw/zinc/41/64/01/664416401.db2.gz LZBNDMKPZZHBDW-UHFFFAOYSA-N -1 0 320.349 0.017 10 0 DCAERM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C#N)c2)c1 ZINC000183570243 666069857 /nfs/dbraw/zinc/06/98/57/666069857.db2.gz UNSKOURKXXOIOV-UHFFFAOYSA-N -1 0 321.362 0.858 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)O1 ZINC000124057964 667891975 /nfs/dbraw/zinc/89/19/75/667891975.db2.gz YXGVKROPLPBQFN-RISCZKNCSA-N -1 0 324.402 0.973 10 0 DCAERM CCCN(C)S(=O)(=O)[N-]C(=O)c1cn2ccnc2s1 ZINC000190828325 669934407 /nfs/dbraw/zinc/93/44/07/669934407.db2.gz GNBDZWKMOIQTMG-UHFFFAOYSA-N -1 0 302.381 0.712 10 0 DCAERM COC[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000103636886 670051006 /nfs/dbraw/zinc/05/10/06/670051006.db2.gz DDVLAUAPHJODCK-LLVKDONJSA-N -1 0 300.380 0.762 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712429577 670148988 /nfs/dbraw/zinc/14/89/88/670148988.db2.gz KTAWRVRXEMSPDJ-YFKTTZPYSA-N -1 0 302.396 0.949 10 0 DCAERM COC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000189828035 670163635 /nfs/dbraw/zinc/16/36/35/670163635.db2.gz HERUDTVOKMDBEQ-UHFFFAOYSA-N -1 0 311.310 0.378 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCOC[C@@H]2C)nc1C ZINC000192830390 670189836 /nfs/dbraw/zinc/18/98/36/670189836.db2.gz PIUPHKBULRBDIU-GXSJLCMTSA-N -1 0 315.395 0.689 10 0 DCAERM CCCCN(C)S(=O)(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715245292 670206927 /nfs/dbraw/zinc/20/69/27/670206927.db2.gz GPGPEPCWMBSWBM-HTQZYQBOSA-N -1 0 300.327 0.519 10 0 DCAERM NC(=O)[C@@H]1CCN1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000757154900 670354286 /nfs/dbraw/zinc/35/42/86/670354286.db2.gz BYGNENYGWWRGIT-LBPRGKRZSA-N -1 0 305.334 0.643 10 0 DCAERM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(Br)o2)C1 ZINC000395331362 685269103 /nfs/dbraw/zinc/26/91/03/685269103.db2.gz SNULYODSSFABJM-JTQLQIEISA-N -1 0 304.096 0.704 10 0 DCAERM O=C([O-])Cc1csc(CNS(=O)(=O)CCC2CC2)n1 ZINC000719100495 685308585 /nfs/dbraw/zinc/30/85/85/685308585.db2.gz MDHIJRBFXLDARO-UHFFFAOYSA-N -1 0 304.393 0.990 10 0 DCAERM C[C@H](C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000720363947 685313998 /nfs/dbraw/zinc/31/39/98/685313998.db2.gz TVBNGFHFDRDSOV-VQVTYTSYSA-N -1 0 317.285 0.141 10 0 DCAERM Cc1cnc(CNS(=O)(=O)N(C)CCC(=O)[O-])c(C)c1 ZINC000723883007 685319491 /nfs/dbraw/zinc/31/94/91/685319491.db2.gz BDPOPLCOUKAZSB-UHFFFAOYSA-N -1 0 301.368 0.439 10 0 DCAERM C[C@@H](CCCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000123265654 1177042226 /nfs/dbraw/zinc/04/22/26/1177042226.db2.gz DZUXZBGUIYFSGY-UWVGGRQHSA-N -1 0 306.384 0.316 10 0 DCAERM C[C@H](CCC(=O)[O-])Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000235452922 1180564469 /nfs/dbraw/zinc/56/44/69/1180564469.db2.gz ZZUJRNBVRLSKLW-SECBINFHSA-N -1 0 301.368 0.997 10 0 DCAERM CC[C@@H](C)[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000237033030 1180784087 /nfs/dbraw/zinc/78/40/87/1180784087.db2.gz IUANJZAHNNDOCU-IAQYHMDHSA-N -1 0 306.362 0.961 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000261611815 1184464614 /nfs/dbraw/zinc/46/46/14/1184464614.db2.gz DZBRJKCNSWVDSS-CHWSQXEVSA-N -1 0 306.318 0.959 10 0 DCAERM COc1ccccc1OCC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000261673860 1184725386 /nfs/dbraw/zinc/72/53/86/1184725386.db2.gz LRSGNALAPCSPIK-WDEREUQCSA-N -1 0 309.318 0.775 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC000261809228 1185159780 /nfs/dbraw/zinc/15/97/80/1185159780.db2.gz ZNWUURYXOVLHQB-YNEHKIRRSA-N -1 0 305.330 0.938 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000262099377 1185162152 /nfs/dbraw/zinc/16/21/52/1185162152.db2.gz HJGGMCKDQLUIJX-UHFFFAOYSA-N -1 0 314.363 0.913 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)c2ccc3c(c2)COC3)nn1 ZINC000262144199 1185162269 /nfs/dbraw/zinc/16/22/69/1185162269.db2.gz MRUVCFCRGMZHBQ-UHFFFAOYSA-N -1 0 302.290 0.323 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000262184411 1185163454 /nfs/dbraw/zinc/16/34/54/1185163454.db2.gz SMBOOXDKPTYEAG-OLZOCXBDSA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000262184410 1185164055 /nfs/dbraw/zinc/16/40/55/1185164055.db2.gz SMBOOXDKPTYEAG-CHWSQXEVSA-N -1 0 316.317 0.581 10 0 DCAERM CCn1c2ccccc2n(CC(=O)NC[C@@H](OC)C(=O)[O-])c1=O ZINC000263104548 1185176668 /nfs/dbraw/zinc/17/66/68/1185176668.db2.gz OWYJOIFXXKDCEM-GFCCVEGCSA-N -1 0 321.333 0.039 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000263565295 1185179865 /nfs/dbraw/zinc/17/98/65/1185179865.db2.gz VNJISJBYCBNUGY-UHTWSYAYSA-N -1 0 318.377 0.918 10 0 DCAERM O=C(NCc1nnn[n-]1)c1cc(Br)cnc1F ZINC000700916126 949697325 /nfs/dbraw/zinc/69/73/25/949697325.db2.gz RXUOVUHZASBKLI-UHFFFAOYSA-N -1 0 301.079 0.426 10 0 DCAERM COC1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCCC1 ZINC000689241415 954649742 /nfs/dbraw/zinc/64/97/42/954649742.db2.gz FRABKNGPNOISAJ-JTQLQIEISA-N -1 0 306.384 0.329 10 0 DCAERM CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689242817 954649773 /nfs/dbraw/zinc/64/97/73/954649773.db2.gz MVDZNXMHJPNJDL-OUAUKWLOSA-N -1 0 306.384 0.016 10 0 DCAERM CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC000693028756 954720861 /nfs/dbraw/zinc/72/08/61/954720861.db2.gz JSXHCXARAPBGOI-GUBZILKMSA-N -1 0 304.368 0.068 10 0 DCAERM O=C([O-])CN1CC[C@H](S(=O)(=O)c2cccc(F)c2)C1=O ZINC000694897020 968953057 /nfs/dbraw/zinc/95/30/57/968953057.db2.gz BEILCEPSLGHIAM-JTQLQIEISA-N -1 0 301.295 0.285 10 0 DCAERM C[C@]1(CO)CCCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000688080866 976166908 /nfs/dbraw/zinc/16/69/08/976166908.db2.gz FXAHSEMSVPNPHX-LBPRGKRZSA-N -1 0 303.336 0.761 10 0 DCAERM C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000688093887 976166942 /nfs/dbraw/zinc/16/69/42/976166942.db2.gz FEPOGJFZXIQDFQ-YUMQZZPRSA-N -1 0 320.392 0.765 10 0 DCAERM CN1CCN(C(=O)CN(CC(=O)[O-])Cc2ccccc2)CC1 ZINC000692415028 976456740 /nfs/dbraw/zinc/45/67/40/976456740.db2.gz SUFMMXYZSXDOGN-UHFFFAOYSA-N -1 0 305.378 0.347 10 0 DCAERM Cn1ncc(Br)c1C(=O)NC1(C(=O)[O-])CCC1 ZINC000693060466 976585489 /nfs/dbraw/zinc/58/54/89/976585489.db2.gz GDUWINHYRQFCGM-UHFFFAOYSA-N -1 0 302.128 0.920 10 0 DCAERM O=C([O-])C1=CC[C@@H](NC(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000694956333 976755577 /nfs/dbraw/zinc/75/55/77/976755577.db2.gz VFWDJSSMOVOTQD-NXEZZACHSA-N -1 0 302.352 0.036 10 0 DCAERM COC[C@@H]1CCCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000696626599 976820529 /nfs/dbraw/zinc/82/05/29/976820529.db2.gz YAKSAWMCQJORBR-LLVKDONJSA-N -1 0 308.400 0.386 10 0 DCAERM C[C@@H](CNC(=O)Nc1cncc(C(=O)[O-])c1)S(C)(=O)=O ZINC000697580822 976850450 /nfs/dbraw/zinc/85/04/50/976850450.db2.gz QKHAQXILBJCKSJ-ZETCQYMHSA-N -1 0 301.324 0.334 10 0 DCAERM Cc1c2c(cc(=O)n1-c1ccccn1)[n-]n(-c1ncccn1)c2=O ZINC000072446260 191169118 /nfs/dbraw/zinc/16/91/18/191169118.db2.gz WKHKQYOOVVBYPV-UHFFFAOYSA-N -1 0 320.312 0.963 10 0 DCAERM COc1ccc(-c2nc(C)cc3nn(CC(=O)[O-])c(=O)n32)cc1 ZINC000073695058 191343365 /nfs/dbraw/zinc/34/33/65/191343365.db2.gz JDCDRGARZAFYNA-UHFFFAOYSA-N -1 0 314.301 0.960 10 0 DCAERM O=C([O-])[C@@H]1CCCN(c2nc3ccccc3n3c(=O)[nH]nc23)C1 ZINC000073737226 191349139 /nfs/dbraw/zinc/34/91/39/191349139.db2.gz WKQUPNRVYFHLHX-SECBINFHSA-N -1 0 313.317 0.872 10 0 DCAERM O=C([O-])C1CCN(c2nc3ccccc3n3c(=O)[nH]nc23)CC1 ZINC000073737234 191349343 /nfs/dbraw/zinc/34/93/43/191349343.db2.gz NMKSCMGIGZYENF-UHFFFAOYSA-N -1 0 313.317 0.872 10 0 DCAERM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000159542593 291235458 /nfs/dbraw/zinc/23/54/58/291235458.db2.gz XDTWDZHXSPETSH-RNCFNFMXSA-N -1 0 309.343 0.952 10 0 DCAERM O=C([O-])[C@H]1CC(=O)N([C@H](CN2CCOCC2)c2ccccc2)C1 ZINC000011850223 181710942 /nfs/dbraw/zinc/71/09/42/181710942.db2.gz MHYYYHBRGFEJBB-LSDHHAIUSA-N -1 0 318.373 0.993 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000037462739 182896722 /nfs/dbraw/zinc/89/67/22/182896722.db2.gz ARRVLBNYTRHSIS-MRVPVSSYSA-N -1 0 320.754 0.255 10 0 DCAERM O=C([O-])[C@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1cccnc1 ZINC000092778628 304205570 /nfs/dbraw/zinc/20/55/70/304205570.db2.gz DWCNDKNEEREVBH-LLVKDONJSA-N -1 0 308.319 0.005 10 0 DCAERM C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043509247 183368211 /nfs/dbraw/zinc/36/82/11/183368211.db2.gz SNCNXPCUCYQFNJ-OQPBUACISA-N -1 0 312.347 0.474 10 0 DCAERM COCc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C(=O)[O-] ZINC000051699254 183835328 /nfs/dbraw/zinc/83/53/28/183835328.db2.gz MDFMCRZVGZJLCA-ZCFIWIBFSA-N -1 0 308.743 0.741 10 0 DCAERM CS(=O)(=O)[N-]c1ccccc1C(=O)NCC1(CCO)CC1 ZINC000188024466 533423194 /nfs/dbraw/zinc/42/31/94/533423194.db2.gz WZGFJNBQTAYPNI-UHFFFAOYSA-N -1 0 312.391 0.951 10 0 DCAERM CCOc1ccc(-n2nnc(C(=O)NCC(=O)[O-])c2C)cc1 ZINC000011730586 395686753 /nfs/dbraw/zinc/68/67/53/395686753.db2.gz BIVZPNHRYKCMQD-UHFFFAOYSA-N -1 0 304.306 0.789 10 0 DCAERM CCOC(=O)[C@@H](NC(=O)CCC(=O)[O-])[C@H](O)c1ccccc1 ZINC000005796613 395682867 /nfs/dbraw/zinc/68/28/67/395682867.db2.gz IKWCZVUSNAJTRC-UONOGXRCSA-N -1 0 309.318 0.633 10 0 DCAERM CCOc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000037414573 395727086 /nfs/dbraw/zinc/72/70/86/395727086.db2.gz VWEMBBHDZCRGRV-JOYOIKCWSA-N -1 0 315.347 0.294 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000037463342 395727608 /nfs/dbraw/zinc/72/76/08/395727608.db2.gz JJRORDLCZBDPBT-GXSJLCMTSA-N -1 0 317.338 0.997 10 0 DCAERM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(Cc2ccco2)CC1 ZINC000194625126 395802924 /nfs/dbraw/zinc/80/29/24/395802924.db2.gz QNIBJDBMRUWJMS-UHFFFAOYSA-N -1 0 323.378 0.540 10 0 DCAERM CN(C[C@@H]1CCCCO1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000048949678 395825253 /nfs/dbraw/zinc/82/52/53/395825253.db2.gz KXSSNRRITPRZNV-QMMMGPOBSA-N -1 0 303.340 0.298 10 0 DCAERM COC(=O)C(C(=O)OC)c1cc(OC)c(OC)cc1C(=O)[O-] ZINC000220317286 395848030 /nfs/dbraw/zinc/84/80/30/395848030.db2.gz AMBPDHUWOFDIEO-UHFFFAOYSA-N -1 0 312.274 0.832 10 0 DCAERM NC(=O)CCn1ccc(NC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000117988633 395857039 /nfs/dbraw/zinc/85/70/39/395857039.db2.gz VWMALCJHEKHIBL-UHFFFAOYSA-N -1 0 310.260 0.995 10 0 DCAERM C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000133287980 395929096 /nfs/dbraw/zinc/92/90/96/395929096.db2.gz LKVVEWRGXBPSPB-RQJHMYQMSA-N -1 0 313.335 0.244 10 0 DCAERM C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@@H](C)C(=O)[O-] ZINC000133287590 395929248 /nfs/dbraw/zinc/92/92/48/395929248.db2.gz LKVVEWRGXBPSPB-RNFRBKRXSA-N -1 0 313.335 0.244 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000130837577 395924293 /nfs/dbraw/zinc/92/42/93/395924293.db2.gz MXWNKQBXZAADAU-SECBINFHSA-N -1 0 314.323 0.129 10 0 DCAERM C[C@H](NC(=O)c1ccoc1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262072200 396096317 /nfs/dbraw/zinc/09/63/17/396096317.db2.gz CMRSQPBFNGLORW-ISVAXAHUSA-N -1 0 312.347 0.474 10 0 DCAERM C[C@@H]1CN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC000262097444 396098729 /nfs/dbraw/zinc/09/87/29/396098729.db2.gz BSWORWPNSRKIEA-KCJUWKMLSA-N -1 0 317.301 0.237 10 0 DCAERM CSCCCC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262121687 396101182 /nfs/dbraw/zinc/10/11/82/396101182.db2.gz GJVRJOUYZZNQBF-LLVKDONJSA-N -1 0 316.423 0.911 10 0 DCAERM Cc1nc(S(=O)(=O)NCCc2cccc(C(=O)[O-])c2)c[nH]1 ZINC000070419054 396101410 /nfs/dbraw/zinc/10/14/10/396101410.db2.gz KWAZCXDKQGIPIG-UHFFFAOYSA-N -1 0 309.347 0.937 10 0 DCAERM CN1CCO[C@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000171287883 396112925 /nfs/dbraw/zinc/11/29/25/396112925.db2.gz OFXAMJZWKUDFHM-LLVKDONJSA-N -1 0 301.346 0.589 10 0 DCAERM O=C([O-])c1cnn(-c2cnccn2)c1I ZINC000162135761 396079478 /nfs/dbraw/zinc/07/94/78/396079478.db2.gz TVBUUDQZRCQPTN-UHFFFAOYSA-N -1 0 316.058 0.965 10 0 DCAERM Cc1nc(CC(C)C)oc1C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000188152602 396379610 /nfs/dbraw/zinc/37/96/10/396379610.db2.gz XTCZPRGXAVACJR-UHFFFAOYSA-N -1 0 307.354 0.956 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)c2ccsc2)C(=O)[O-])cn1 ZINC000560417243 396613685 /nfs/dbraw/zinc/61/36/85/396613685.db2.gz KZULGWGVVPANHV-VIFPVBQESA-N -1 0 301.349 0.586 10 0 DCAERM CCOCCNC(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C ZINC000562395683 396661588 /nfs/dbraw/zinc/66/15/88/396661588.db2.gz FHCOAJBYHLEWAY-IINYFYTJSA-N -1 0 302.371 0.981 10 0 DCAERM O=C([O-])c1csc(S(=O)(=O)NC[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000375649975 396788965 /nfs/dbraw/zinc/78/89/65/396788965.db2.gz BGRXVEMBVCCBIM-PSVAKVPMSA-N -1 0 303.361 0.617 10 0 DCAERM CN(CC(=O)[O-])C(=O)NCc1c(Br)cnn1C ZINC000630496474 397032714 /nfs/dbraw/zinc/03/27/14/397032714.db2.gz GAWKFZXDQVPRSN-UHFFFAOYSA-N -1 0 305.132 0.409 10 0 DCAERM CS(=O)(=O)N1CCC[C@H](Nc2ncncc2C(=O)[O-])C1 ZINC000400145759 397315817 /nfs/dbraw/zinc/31/58/17/397315817.db2.gz ZBGQXZOSLODSQT-QMMMGPOBSA-N -1 0 300.340 0.011 10 0 DCAERM Cn1ncc2c1ncnc2N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000370751794 397520570 /nfs/dbraw/zinc/52/05/70/397520570.db2.gz YGLUPKPZQMKTAU-MRVPVSSYSA-N -1 0 300.326 0.571 10 0 DCAERM CC(=O)N1CCC[C@@H](C(=O)NC2(c3nnn[n-]3)CCCC2)C1 ZINC000605531817 397667246 /nfs/dbraw/zinc/66/72/46/397667246.db2.gz JXNLSMLSLOBYBI-LLVKDONJSA-N -1 0 306.370 0.344 10 0 DCAERM O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000132678344 158312422 /nfs/dbraw/zinc/31/24/22/158312422.db2.gz GHNWNVQXABOAGY-DGCLKSJQSA-N -1 0 304.346 0.590 10 0 DCAERM Cn1ccnc1-c1cccc(NC(=O)C[C@@H]2NC(=O)NC2=O)c1 ZINC000136813205 158343648 /nfs/dbraw/zinc/34/36/48/158343648.db2.gz XXPLGNBAOAITOS-NSHDSACASA-N -1 0 313.317 0.624 10 0 DCAERM COc1ccc(OC)c(C(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000261834803 158744807 /nfs/dbraw/zinc/74/48/07/158744807.db2.gz IHANXIYMPSLYSG-UHFFFAOYSA-N -1 0 320.305 0.310 10 0 DCAERM CCCNC(=O)CCCC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000262188167 158783293 /nfs/dbraw/zinc/78/32/93/158783293.db2.gz TZVLTLSZLHVMDD-MNOVXSKESA-N -1 0 300.355 0.383 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)C[C@@H]2CSCCS2)nn1 ZINC000262692343 158834431 /nfs/dbraw/zinc/83/44/31/158834431.db2.gz CMXIRAGNVQADLG-SECBINFHSA-N -1 0 316.408 0.218 10 0 DCAERM CC(C)(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262736744 158837866 /nfs/dbraw/zinc/83/78/66/158837866.db2.gz HUMZBBZXQPJPOG-ONGXEEELSA-N -1 0 321.395 0.196 10 0 DCAERM Cc1cc(C)n(C[C@H]2CN(c3cnc(C(=O)[O-])cn3)CCO2)n1 ZINC000262964826 158850343 /nfs/dbraw/zinc/85/03/43/158850343.db2.gz AJYTYPIVVQQRNY-GFCCVEGCSA-N -1 0 317.349 0.894 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263137672 158859038 /nfs/dbraw/zinc/85/90/38/158859038.db2.gz GJBFRHOCJOACHE-UWVGGRQHSA-N -1 0 307.368 0.455 10 0 DCAERM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263538403 158885076 /nfs/dbraw/zinc/88/50/76/158885076.db2.gz AWWRETJVUPWSHW-VIFPVBQESA-N -1 0 314.363 0.281 10 0 DCAERM O=C(N1CCC[C@H](c2nnn[n-]2)C1)C(F)(F)C1(O)CCC1 ZINC000367052026 159308848 /nfs/dbraw/zinc/30/88/48/159308848.db2.gz GTKMBQQFKPWAGH-QMMMGPOBSA-N -1 0 301.297 0.456 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000367965669 159367404 /nfs/dbraw/zinc/36/74/04/159367404.db2.gz MXYCQYATAQHDIK-SNVBAGLBSA-N -1 0 320.324 0.687 10 0 DCAERM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408021231 160013790 /nfs/dbraw/zinc/01/37/90/160013790.db2.gz LLMNLHNHAWGZFY-AXTRIDKLSA-N -1 0 311.363 0.059 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)cc1C ZINC000408193679 160057017 /nfs/dbraw/zinc/05/70/17/160057017.db2.gz TWTUDYQXKUHWOC-ZDUSSCGKSA-N -1 0 312.391 0.439 10 0 DCAERM C[C@H]1CC[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)O1 ZINC000408318597 160083935 /nfs/dbraw/zinc/08/39/35/160083935.db2.gz DOGXVIQGWJYBFJ-NTSWFWBYSA-N -1 0 306.369 0.416 10 0 DCAERM O=C([N-]S(=O)(=O)c1ncccc1F)C1CCC(=O)CC1 ZINC000408476572 160116418 /nfs/dbraw/zinc/11/64/18/160116418.db2.gz BEJVYVIFWCVDDM-UHFFFAOYSA-N -1 0 300.311 0.785 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408483128 160117601 /nfs/dbraw/zinc/11/76/01/160117601.db2.gz WFSYGWZFTFBRSQ-RYUDHWBXSA-N -1 0 304.412 0.486 10 0 DCAERM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)c1 ZINC000408493796 160119634 /nfs/dbraw/zinc/11/96/34/160119634.db2.gz CJZCXSZCRZISMZ-UHFFFAOYSA-N -1 0 309.351 0.072 10 0 DCAERM Cn1cccc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c1=O ZINC000408499443 160119737 /nfs/dbraw/zinc/11/97/37/160119737.db2.gz OHOIODQMMGJJAF-SCVCMEIPSA-N -1 0 310.375 0.634 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)c2nc(C)c(C)nc2C)cn1C ZINC000408505560 160120233 /nfs/dbraw/zinc/12/02/33/160120233.db2.gz XJFZDMQHLSEFBE-UHFFFAOYSA-N -1 0 323.378 0.562 10 0 DCAERM CCn1cnc(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])c1 ZINC000252607510 287120645 /nfs/dbraw/zinc/12/06/45/287120645.db2.gz RMITYSAZBQGNCE-SFYZADRCSA-N -1 0 305.381 0.440 10 0 DCAERM CC(C)OCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299922412 416071485 /nfs/dbraw/zinc/07/14/85/416071485.db2.gz SQGYUYWBFFHVGD-TUAOUCFPSA-N -1 0 305.396 0.926 10 0 DCAERM CS(=O)(=O)c1nnc(NC(=O)c2n[nH]c3c2CCCCC3)[n-]1 ZINC000357006180 416019082 /nfs/dbraw/zinc/01/90/82/416019082.db2.gz VPXDOEWZVIWGDK-UHFFFAOYSA-N -1 0 324.366 0.453 10 0 DCAERM O=C(N[C@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000178952848 416177891 /nfs/dbraw/zinc/17/78/91/416177891.db2.gz HVTZKURCNLVTOQ-WCQYABFASA-N -1 0 304.346 0.902 10 0 DCAERM O=C(NC[C@H]1CN2CCN1CC2)c1ccc2[n-]c(=S)oc2c1 ZINC000178973501 416179851 /nfs/dbraw/zinc/17/98/51/416179851.db2.gz CUQLBNQKOHGOJP-NSHDSACASA-N -1 0 318.402 0.846 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000263037608 416337454 /nfs/dbraw/zinc/33/74/54/416337454.db2.gz DBFCBGHOLXMABK-PWSUYJOCSA-N -1 0 320.411 0.512 10 0 DCAERM CC(C)(C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)C1CCOCC1 ZINC000359368515 416343757 /nfs/dbraw/zinc/34/37/57/416343757.db2.gz GMBJPQOBDYKUMI-UHFFFAOYSA-N -1 0 316.383 0.600 10 0 DCAERM CC(=O)N(C)c1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cc1 ZINC000429271445 416960042 /nfs/dbraw/zinc/96/00/42/416960042.db2.gz AUZWZVOSWOGZIF-UHFFFAOYSA-N -1 0 317.349 0.856 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000408453434 417164141 /nfs/dbraw/zinc/16/41/41/417164141.db2.gz RRMUCLDWNTZXMK-JRPNMDOOSA-N -1 0 309.366 0.392 10 0 DCAERM C[C@H](OCCc1ccccc1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000450963573 417285451 /nfs/dbraw/zinc/28/54/51/417285451.db2.gz SCKKNKFGFHMQJL-NSHDSACASA-N -1 0 301.350 0.953 10 0 DCAERM C[C@](O)(CO)CNC(=O)c1cc(O)cc(Br)c1 ZINC000529227927 417428760 /nfs/dbraw/zinc/42/87/60/417428760.db2.gz JTIYDHWWRCCJNE-LLVKDONJSA-N -1 0 304.140 0.628 10 0 DCAERM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000530155103 417546253 /nfs/dbraw/zinc/54/62/53/417546253.db2.gz WKWLXDHVXAGGMK-HSNKUXOKSA-N -1 0 320.392 0.932 10 0 DCAERM CCN1CCO[C@@H](CNS(=O)(=O)c2ccccc2[O-])C1 ZINC000166175324 545878179 /nfs/dbraw/zinc/87/81/79/545878179.db2.gz WPYYRUFAAWIGNI-NSHDSACASA-N -1 0 300.380 0.391 10 0 DCAERM CO[C@@H]1CN(S(=O)(=O)c2cnc(C)s2)[C@@](C)(C(=O)[O-])C1 ZINC000629309943 417777419 /nfs/dbraw/zinc/77/74/19/417777419.db2.gz NSIJKLRRUDCEFE-GZMMTYOYSA-N -1 0 320.392 0.704 10 0 DCAERM CCS(=O)(=O)C1(CNC(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC000659416173 418094724 /nfs/dbraw/zinc/09/47/24/418094724.db2.gz VRYOEXBMMYEMDM-SECBINFHSA-N -1 0 306.384 0.316 10 0 DCAERM CCOC(=O)[C@H](C)NC(=O)[C@H](C)N=c1nc(C2CC2)[n-]s1 ZINC000362665713 262058303 /nfs/dbraw/zinc/05/83/03/262058303.db2.gz OYULBHYXMGRNLX-YUMQZZPRSA-N -1 0 312.395 0.706 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1cncn1-c1ccc(F)cc1 ZINC000357099998 271041416 /nfs/dbraw/zinc/04/14/16/271041416.db2.gz WMYYGJYPSBZDJX-UHFFFAOYSA-N -1 0 313.296 0.944 10 0 DCAERM O=C(COc1cccnc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000549768022 288204197 /nfs/dbraw/zinc/20/41/97/288204197.db2.gz BIBZBWZTQPROMY-JTQLQIEISA-N -1 0 303.322 0.690 10 0 DCAERM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC000263179199 297343733 /nfs/dbraw/zinc/34/37/33/297343733.db2.gz KBWILQUSLLSEQC-WYUUTHIRSA-N -1 0 305.396 0.926 10 0 DCAERM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CCS1(=O)=O ZINC000186823327 300186308 /nfs/dbraw/zinc/18/63/08/300186308.db2.gz JUBNZYNFAGYYKB-ZETCQYMHSA-N -1 0 305.302 0.930 10 0 DCAERM C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CF)C(=O)[O-])C1=O ZINC000262980894 300647149 /nfs/dbraw/zinc/64/71/49/300647149.db2.gz PHHUGHJSYYUNJI-ZJUUUORDSA-N -1 0 324.308 0.730 10 0 DCAERM Cc1nnc2n1C[C@@H](C(=O)[O-])N(C(=O)N1CCC(C)CC1)C2 ZINC000263498324 302829811 /nfs/dbraw/zinc/82/98/11/302829811.db2.gz RXIRYMNNQYIJDC-NSHDSACASA-N -1 0 307.354 0.707 10 0 DCAERM C/C=C/C[C@@H](NC(=O)NCc1nnc2n1CCCC2)C(=O)[O-] ZINC000575241673 341789618 /nfs/dbraw/zinc/78/96/18/341789618.db2.gz DTEUUBSIFUYTRD-VMZHVLLKSA-N -1 0 307.354 0.833 10 0 DCAERM COc1cc(OC)c(S(=O)(=O)NCCC(=O)[O-])c(OC)c1 ZINC000262417057 522829974 /nfs/dbraw/zinc/82/99/74/522829974.db2.gz UGRBFUGFGQQMSW-UHFFFAOYSA-N -1 0 319.335 0.465 10 0 DCAERM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(N)=O)C(C)C ZINC000231035213 545948399 /nfs/dbraw/zinc/94/83/99/545948399.db2.gz IMUKONDDFHGOIW-VIFPVBQESA-N -1 0 320.392 0.543 10 0 DCAERM O=C([O-])[C@H]1Cc2ccccc2N1S(=O)(=O)N1CCOCC1 ZINC000021517376 545643128 /nfs/dbraw/zinc/64/31/28/545643128.db2.gz GSQFDNCFDPCIEX-GFCCVEGCSA-N -1 0 312.347 0.079 10 0 DCAERM C[C@@H](NS(=O)(=O)c1cn(C)cn1)c1nc(C(=O)[O-])cs1 ZINC000090941615 545717191 /nfs/dbraw/zinc/71/71/91/545717191.db2.gz WELMVIRQBDLILV-ZCFIWIBFSA-N -1 0 316.364 0.614 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@H]2CCCO2)C1 ZINC000252458013 545975179 /nfs/dbraw/zinc/97/51/79/545975179.db2.gz FQPPBHQJEASVRY-WDEREUQCSA-N -1 0 306.384 0.187 10 0 DCAERM CC(C)(C)OC(=O)NO[C@]1(CC(=O)[O-])CCCS(=O)(=O)C1 ZINC000675055424 547658717 /nfs/dbraw/zinc/65/87/17/547658717.db2.gz SFQNXNZOHUOPJP-LBPRGKRZSA-N -1 0 323.367 0.865 10 0 DCAERM CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H]1CCCOC1 ZINC000723746247 657491272 /nfs/dbraw/zinc/49/12/72/657491272.db2.gz LPRXFVBDGFRTET-GHMZBOCLSA-N -1 0 308.400 0.433 10 0 DCAERM N#Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c[nH]1 ZINC000181394328 665573056 /nfs/dbraw/zinc/57/30/56/665573056.db2.gz YAFAPRDHOOXZIU-UHFFFAOYSA-N -1 0 300.299 0.877 10 0 DCAERM O=S(=O)(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccnc1F ZINC000724551379 658452981 /nfs/dbraw/zinc/45/29/81/658452981.db2.gz CIHILRFHZREURW-BBBLOLIVSA-N -1 0 302.327 0.303 10 0 DCAERM O=C([O-])/C=C\CNS(=O)(=O)c1cncc(Br)c1 ZINC000310200089 658493645 /nfs/dbraw/zinc/49/36/45/658493645.db2.gz GZUFWRRTXABJHI-UPHRSURJSA-N -1 0 321.152 0.763 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C=C2CCC2)cc1 ZINC000180115984 658955929 /nfs/dbraw/zinc/95/59/29/658955929.db2.gz YIEXJBBNBUHFQE-UHFFFAOYSA-N -1 0 308.359 0.961 10 0 DCAERM C[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000312413795 659289382 /nfs/dbraw/zinc/28/93/82/659289382.db2.gz NZTWEFZLLJZOOO-SCZZXKLOSA-N -1 0 302.352 0.427 10 0 DCAERM CC(C)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000186981324 659292751 /nfs/dbraw/zinc/29/27/51/659292751.db2.gz MZYRHZFVNGWLAH-VHSXEESVSA-N -1 0 313.379 0.221 10 0 DCAERM CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000263119847 665283383 /nfs/dbraw/zinc/28/33/83/665283383.db2.gz WYQKXPHMTJSQDQ-HOSYDEDBSA-N -1 0 303.380 0.521 10 0 DCAERM CNC(=O)CC(=O)N[N-]C(=O)c1ccc(Br)s1 ZINC000184962234 666313285 /nfs/dbraw/zinc/31/32/85/666313285.db2.gz CEPLPEZHPXYVTD-UHFFFAOYSA-N -1 0 320.168 0.408 10 0 DCAERM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000448987317 666497297 /nfs/dbraw/zinc/49/72/97/666497297.db2.gz AVFGRFLUFOVZQB-PSASIEDQSA-N -1 0 314.388 0.911 10 0 DCAERM CS(=O)(=O)c1nnc(NC(=O)c2csc3cncn32)[n-]1 ZINC000362475164 666776908 /nfs/dbraw/zinc/77/69/08/666776908.db2.gz XKDRFWOEVHZIBE-UHFFFAOYSA-N -1 0 312.336 0.170 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2Cl)C1 ZINC000703761481 667139728 /nfs/dbraw/zinc/13/97/28/667139728.db2.gz LAXFUJRVXHICJS-NSHDSACASA-N -1 0 320.754 0.599 10 0 DCAERM Cc1ccc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1C ZINC000886096544 667731856 /nfs/dbraw/zinc/73/18/56/667731856.db2.gz BGEWZAFPBTVMEG-MRXNPFEDSA-N -1 0 321.377 0.335 10 0 DCAERM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)O1 ZINC000124057705 667891893 /nfs/dbraw/zinc/89/18/93/667891893.db2.gz YXGVKROPLPBQFN-SMDDNHRTSA-N -1 0 324.402 0.973 10 0 DCAERM O=C([N-]S(=O)(=O)Cc1ccon1)c1cnn2c1CCCC2 ZINC000125810185 668429430 /nfs/dbraw/zinc/42/94/30/668429430.db2.gz NTKBBVLWUANBQJ-UHFFFAOYSA-N -1 0 310.335 0.467 10 0 DCAERM O=C([O-])c1cccn1C1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000126410004 668578350 /nfs/dbraw/zinc/57/83/50/668578350.db2.gz ALGGMAROEBAGAR-UHFFFAOYSA-N -1 0 313.379 0.820 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)C1 ZINC000712941486 670150851 /nfs/dbraw/zinc/15/08/51/670150851.db2.gz ISKJHDIHRLHDMO-MEWQQHAOSA-N -1 0 302.396 0.806 10 0 DCAERM C[C@@H](CNC(=O)c1n[n-]c2ccccc2c1=O)N1CCOCC1 ZINC000109946091 670981414 /nfs/dbraw/zinc/98/14/14/670981414.db2.gz OPGKGZLOAQZDNF-NSHDSACASA-N -1 0 316.361 0.374 10 0 DCAERM O=C(c1n[n-]c2ccccc2c1=O)N1CCC[C@H](n2cncn2)C1 ZINC000111613379 671270006 /nfs/dbraw/zinc/27/00/06/671270006.db2.gz VOLPDGOBPHLWQG-NSHDSACASA-N -1 0 324.344 0.992 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC000395374040 685269278 /nfs/dbraw/zinc/26/92/78/685269278.db2.gz VXDKXSOARCZHOB-ZDUSSCGKSA-N -1 0 313.331 0.099 10 0 DCAERM O=C([O-])[C@@H](Cc1cncs1)NC(=O)N[C@@H]1CCSC1 ZINC000719036104 685307569 /nfs/dbraw/zinc/30/75/69/685307569.db2.gz PGMWABORCJHRLX-VXNVDRBHSA-N -1 0 301.393 0.944 10 0 DCAERM O=S(=O)(N[C@H]1CCCN2CCSC[C@H]12)c1ncc[n-]1 ZINC000720477400 685313236 /nfs/dbraw/zinc/31/32/36/685313236.db2.gz TYYVGHJOGBGODK-VHSXEESVSA-N -1 0 302.425 0.268 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCO1 ZINC000720406375 685313569 /nfs/dbraw/zinc/31/35/69/685313569.db2.gz AEKKVUKQBJOURM-GHMZBOCLSA-N -1 0 306.384 0.139 10 0 DCAERM CCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H]1C ZINC000250193617 685184988 /nfs/dbraw/zinc/18/49/88/685184988.db2.gz APYKYCDVYNRGMR-SECBINFHSA-N -1 0 301.368 0.428 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CN2CCc3ccccc32)C1 ZINC000262198872 1157706967 /nfs/dbraw/zinc/70/69/67/1157706967.db2.gz VPRCEVFFYOCIDT-JSGCOSHPSA-N -1 0 304.346 0.750 10 0 DCAERM C[C@@H](CN(C)C(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000237378895 1180947903 /nfs/dbraw/zinc/94/79/03/1180947903.db2.gz COOZNDJSIQXPRV-JTQLQIEISA-N -1 0 306.322 0.065 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC000261809226 1185159413 /nfs/dbraw/zinc/15/94/13/1185159413.db2.gz ZNWUURYXOVLHQB-XQQFMLRXSA-N -1 0 305.330 0.938 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3nccnc3c2)C1 ZINC000261970303 1185160607 /nfs/dbraw/zinc/16/06/07/1185160607.db2.gz PZPHNNYNPUUMBZ-ZWNOBZJWSA-N -1 0 301.302 0.944 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)NC(=O)c2ccoc2)C1 ZINC000262128076 1185161804 /nfs/dbraw/zinc/16/18/04/1185161804.db2.gz JXUSSBVXPQQYSF-GDPRMGEGSA-N -1 0 310.306 0.098 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000262184413 1185164358 /nfs/dbraw/zinc/16/43/58/1185164358.db2.gz SMBOOXDKPTYEAG-QWHCGFSZSA-N -1 0 316.317 0.581 10 0 DCAERM COCc1cccc(C(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000262383841 1185166977 /nfs/dbraw/zinc/16/69/77/1185166977.db2.gz ZBMFBFIKPABTRN-UHFFFAOYSA-N -1 0 304.306 0.439 10 0 DCAERM COc1ccccc1CC(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262358044 1185167576 /nfs/dbraw/zinc/16/75/76/1185167576.db2.gz WATBINMGEGMJMT-UHFFFAOYSA-N -1 0 304.306 0.230 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000262575916 1185170106 /nfs/dbraw/zinc/17/01/06/1185170106.db2.gz YEYIAJWZCINWPW-JQWIXIFHSA-N -1 0 318.333 0.591 10 0 DCAERM COc1ccc([C@H](C)C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000262687822 1185171202 /nfs/dbraw/zinc/17/12/02/1185171202.db2.gz BFCFNBNNWAOTLP-JTQLQIEISA-N -1 0 318.333 0.791 10 0 DCAERM CO[C@H]1C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1(C)C ZINC000689244991 954650162 /nfs/dbraw/zinc/65/01/62/954650162.db2.gz WWTYUERBBJULJK-GUBZILKMSA-N -1 0 306.384 0.183 10 0 DCAERM C[C@@H]1C[C@@H](CNS(=O)(=O)c2scnc2C(=O)[O-])[C@H](C)O1 ZINC000686350711 976108047 /nfs/dbraw/zinc/10/80/47/976108047.db2.gz XUMHKSLQVAJQTG-CSMHCCOUSA-N -1 0 320.392 0.933 10 0 DCAERM C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000688105605 976169593 /nfs/dbraw/zinc/16/95/93/976169593.db2.gz HLZBPOWXIAKWJN-PSASIEDQSA-N -1 0 303.336 0.902 10 0 DCAERM COCC(COC)S(=O)(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000688597123 976189127 /nfs/dbraw/zinc/18/91/27/976189127.db2.gz ITRGVXWJDIWSHV-VHSXEESVSA-N -1 0 309.384 0.211 10 0 DCAERM C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000689000984 976198163 /nfs/dbraw/zinc/19/81/63/976198163.db2.gz SDSOHBVKYMQPPY-JGVFFNPUSA-N -1 0 304.324 0.154 10 0 DCAERM O=C([O-])C1=CC[C@@H](NC(=O)N2CCSC[C@H]2CCO)C1 ZINC000689329160 976249629 /nfs/dbraw/zinc/24/96/29/976249629.db2.gz UAVCNNMEGQJNAZ-GHMZBOCLSA-N -1 0 300.380 0.669 10 0 DCAERM CN(C[C@@H](O)C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000690252231 976283526 /nfs/dbraw/zinc/28/35/26/976283526.db2.gz OVPJTMLKCCBBJH-MRVPVSSYSA-N -1 0 305.377 0.838 10 0 DCAERM CS(=O)(=O)CCCCNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000692802911 976548490 /nfs/dbraw/zinc/54/84/90/976548490.db2.gz KCNQUZCBPBITSB-JTQLQIEISA-N -1 0 306.384 0.460 10 0 DCAERM CCS(=O)(=O)C1(CNCc2ncc(C(=O)[O-])s2)CC1 ZINC000693459971 976639456 /nfs/dbraw/zinc/63/94/56/976639456.db2.gz BQDATNJPOKTQRL-UHFFFAOYSA-N -1 0 304.393 0.898 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@H](CO)C2CCCC2)c1 ZINC000694171238 976674237 /nfs/dbraw/zinc/67/42/37/976674237.db2.gz CQEAHXICYLWTRB-SNVBAGLBSA-N -1 0 303.336 0.807 10 0 DCAERM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C ZINC000694211118 976682030 /nfs/dbraw/zinc/68/20/30/976682030.db2.gz IFVBPIKRFOBSNL-VIFPVBQESA-N -1 0 305.308 0.454 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NCCc2cscn2)c1 ZINC000694211328 976682577 /nfs/dbraw/zinc/68/25/77/976682577.db2.gz ZIFNEYQBXIHTBE-UHFFFAOYSA-N -1 0 302.333 0.955 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCC[C@H](CO)CC2)c1 ZINC000694223131 976685304 /nfs/dbraw/zinc/68/53/04/976685304.db2.gz UKXULXUGCOGUNV-VIFPVBQESA-N -1 0 303.336 0.761 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@]1(C)CO ZINC000694678870 976709665 /nfs/dbraw/zinc/70/96/65/976709665.db2.gz BUKCEPKJUNBYBG-QPUJVOFHSA-N -1 0 303.336 0.617 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@H](C)O1 ZINC000695199668 976787848 /nfs/dbraw/zinc/78/78/48/976787848.db2.gz BVKZHUKEVQYOHR-SFYZADRCSA-N -1 0 304.324 0.561 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)NCCSCC(F)(F)F ZINC000698952792 976906261 /nfs/dbraw/zinc/90/62/61/976906261.db2.gz LQZNXTSTPMQFJE-UHFFFAOYSA-N -1 0 324.346 0.523 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N(CCC(=O)[O-])C2CC2)C[C@H](C)O1 ZINC000037591819 545646002 /nfs/dbraw/zinc/64/60/02/545646002.db2.gz NKSIKNLOXPTRID-UWVGGRQHSA-N -1 0 306.384 0.280 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](CC)C(=O)[O-] ZINC000087485951 545707668 /nfs/dbraw/zinc/70/76/68/545707668.db2.gz LRYNEXNXSLULFS-GHMZBOCLSA-N -1 0 320.411 0.418 10 0 DCAERM O=C([O-])Cn1c2ccsc2c(=O)n(Cc2ccccn2)c1=O ZINC000073661105 191338379 /nfs/dbraw/zinc/33/83/79/191338379.db2.gz ZFZZWOWQKYAJSI-UHFFFAOYSA-N -1 0 317.326 0.753 10 0 DCAERM O=C([O-])Cn1c(=O)n(Cc2ccccc2)c(=O)c2nccnc21 ZINC000073667435 191339217 /nfs/dbraw/zinc/33/92/17/191339217.db2.gz QLEXKBNAMAFHGD-UHFFFAOYSA-N -1 0 312.285 0.086 10 0 DCAERM O=C([O-])[C@H]1CCCN(c2nc3ccccc3n3c(=O)[nH]nc23)C1 ZINC000073737223 191349160 /nfs/dbraw/zinc/34/91/60/191349160.db2.gz WKQUPNRVYFHLHX-VIFPVBQESA-N -1 0 313.317 0.872 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])C[C@H](C)O1 ZINC000164878474 291248280 /nfs/dbraw/zinc/24/82/80/291248280.db2.gz GTZGHJUCBPJHLF-LSCVPOLPSA-N -1 0 320.411 0.573 10 0 DCAERM O=C([O-])c1cc(N2C(=O)C[C@H](N3CCOCC3)C2=O)ccc1O ZINC000019766892 182144608 /nfs/dbraw/zinc/14/46/08/182144608.db2.gz FOORSMIFKFBBNM-NSHDSACASA-N -1 0 320.301 0.055 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1Cl ZINC000020311246 182205890 /nfs/dbraw/zinc/20/58/90/182205890.db2.gz VTUPVYJSGZEJBG-IONNQARKSA-N -1 0 305.739 0.549 10 0 DCAERM O=C([O-])CSc1nnc(N[C@@H]2CCS(=O)(=O)C2)s1 ZINC000020582834 182235218 /nfs/dbraw/zinc/23/52/18/182235218.db2.gz IEGPCARTGHNOLR-RXMQYKEDSA-N -1 0 309.394 0.314 10 0 DCAERM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1ccc(Br)o1 ZINC000022173051 182312299 /nfs/dbraw/zinc/31/22/99/182312299.db2.gz XYHOKDVXELOBQL-PHDIDXHHSA-N -1 0 304.096 0.702 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCS[C@@H]3COCC[C@H]32)O1 ZINC000262290484 304193566 /nfs/dbraw/zinc/19/35/66/304193566.db2.gz LBCBWICJFBAOMO-LMLFDSFASA-N -1 0 301.364 0.352 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000262008121 304194627 /nfs/dbraw/zinc/19/46/27/304194627.db2.gz FFGROZBHPDNABO-AGIUHOORSA-N -1 0 308.378 0.862 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000037462154 182895876 /nfs/dbraw/zinc/89/58/76/182895876.db2.gz DGBLJJPCOJCXCT-XVKPBYJWSA-N -1 0 307.755 0.761 10 0 DCAERM O=C([O-])[C@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1ccsc1 ZINC000285259013 304205715 /nfs/dbraw/zinc/20/57/15/304205715.db2.gz VEMPFLOFSQJMAJ-SNVBAGLBSA-N -1 0 313.360 0.671 10 0 DCAERM CN(c1nc(CCC(=O)[O-])cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000041529507 183198270 /nfs/dbraw/zinc/19/82/70/183198270.db2.gz ZVGINMJAXUFLQV-SECBINFHSA-N -1 0 304.393 0.784 10 0 DCAERM CS(=O)(=O)c1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1 ZINC000090034571 395718245 /nfs/dbraw/zinc/71/82/45/395718245.db2.gz YRRQLXSGGZNKEF-UHFFFAOYSA-N -1 0 312.347 0.316 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000037327340 395726347 /nfs/dbraw/zinc/72/63/47/395726347.db2.gz ITLYVAQQGPHGGZ-PSASIEDQSA-N -1 0 321.301 0.827 10 0 DCAERM O=C([O-])[C@@H]1CSCCN1CN1C(=O)c2ccccc2C1=O ZINC000215302696 395836619 /nfs/dbraw/zinc/83/66/19/395836619.db2.gz JSPIQGQXOBGRFM-NSHDSACASA-N -1 0 306.343 0.742 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000227617493 395869087 /nfs/dbraw/zinc/86/90/87/395869087.db2.gz YJPFUBSQMFUXGD-AXFHLTTASA-N -1 0 306.384 0.137 10 0 DCAERM COCC[C@@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000052785866 395869882 /nfs/dbraw/zinc/86/98/82/395869882.db2.gz VMHHHGKNLHYILN-SECBINFHSA-N -1 0 309.290 0.733 10 0 DCAERM O=C([O-])c1c(F)ccc(F)c1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000138257782 395951437 /nfs/dbraw/zinc/95/14/37/395951437.db2.gz CJOSMJMOBROHFH-ZETCQYMHSA-N -1 0 312.228 0.198 10 0 DCAERM NC(=O)C1(CNC(=O)c2c([O-])cc(F)cc2F)CCOCC1 ZINC000066045255 395999910 /nfs/dbraw/zinc/99/99/10/395999910.db2.gz AYBLMOLBYKEXEX-UHFFFAOYSA-N -1 0 314.288 0.682 10 0 DCAERM O=C([O-])[C@@H]1[C@H]2C[C@H]3[C@@H]1C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H]3[C@H]2O ZINC000256046265 396033673 /nfs/dbraw/zinc/03/36/73/396033673.db2.gz DVUUKJRIDQYMNQ-FQIARQCESA-N -1 0 318.285 0.638 10 0 DCAERM CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2cccnc2)[C@H]1N ZINC000257353649 396046083 /nfs/dbraw/zinc/04/60/83/396046083.db2.gz SHWYQKSSZUTCAC-GRYCIOLGSA-N -1 0 307.350 0.766 10 0 DCAERM CN(C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000251155271 396015901 /nfs/dbraw/zinc/01/59/01/396015901.db2.gz MARCSFILTYJASG-CWSCBRNRSA-N -1 0 318.395 0.458 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000070311359 396101441 /nfs/dbraw/zinc/10/14/41/396101441.db2.gz PMVVIYHEGFBPIS-QMMMGPOBSA-N -1 0 318.351 0.513 10 0 DCAERM COc1ccc(C(=O)N[C@H](C(=O)N(C)CC(=O)[O-])C(C)C)cc1 ZINC000262453630 396142013 /nfs/dbraw/zinc/14/20/13/396142013.db2.gz PTTMHYQGETWGPL-AWEZNQCLSA-N -1 0 322.361 0.993 10 0 DCAERM CN1CC[C@H](C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1=O ZINC000262168649 396106206 /nfs/dbraw/zinc/10/62/06/396106206.db2.gz LFCDRWWFVRLVBT-JTQLQIEISA-N -1 0 306.318 0.957 10 0 DCAERM CC[C@@H](C)[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000262397503 396135772 /nfs/dbraw/zinc/13/57/72/396135772.db2.gz AAUKSPOTSHMMLV-KOLCDFICSA-N -1 0 306.384 0.028 10 0 DCAERM CNC(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC000262812514 396184893 /nfs/dbraw/zinc/18/48/93/396184893.db2.gz PGLOCLXBCBBFGL-UHFFFAOYSA-N -1 0 321.333 0.052 10 0 DCAERM COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cncc(O)c1 ZINC000178046349 396188516 /nfs/dbraw/zinc/18/85/16/396188516.db2.gz KJCITQPRSHYSAR-NSHDSACASA-N -1 0 303.322 0.790 10 0 DCAERM COc1cccc(C(=O)NCC(=O)N[C@@H](C)CCC(=O)[O-])c1 ZINC000262967327 396195652 /nfs/dbraw/zinc/19/56/52/396195652.db2.gz PEPHTSFODCNCAX-JTQLQIEISA-N -1 0 308.334 0.795 10 0 DCAERM Cn1c(=O)cccc1C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000263029804 396198471 /nfs/dbraw/zinc/19/84/71/396198471.db2.gz ZGPCEDHITUQXDO-JTQLQIEISA-N -1 0 310.350 0.774 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CCOC[C@H]2CCCO2)C1 ZINC000263139389 396202772 /nfs/dbraw/zinc/20/27/72/396202772.db2.gz UBGKTDDINNKERZ-YNEHKIRRSA-N -1 0 315.366 0.663 10 0 DCAERM CN(C(=O)N1CCC[C@]1(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000079493496 396265905 /nfs/dbraw/zinc/26/59/05/396265905.db2.gz GFQPFJUYFNCQSO-BXKDBHETSA-N -1 0 304.368 0.164 10 0 DCAERM [O-]c1nnn(-c2ccccc2)c1CN1CCO[C@]2(CCOC2)C1 ZINC000184282160 396289587 /nfs/dbraw/zinc/28/95/87/396289587.db2.gz IONHECIJWQFIIR-MRXNPFEDSA-N -1 0 316.361 0.964 10 0 DCAERM COC(=O)c1cc(C)nc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000376465608 396933948 /nfs/dbraw/zinc/93/39/48/396933948.db2.gz ZAEWRKSZOYCOPW-SECBINFHSA-N -1 0 318.337 0.779 10 0 DCAERM O=C([O-])[C@@H]1CSCCN1C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000630495871 397032253 /nfs/dbraw/zinc/03/22/53/397032253.db2.gz XTUSCQOPHVOBAB-VWYCJHECSA-N -1 0 300.380 0.766 10 0 DCAERM Cn1cc(N2[C@@H](C(=O)[O-])CC[C@H]2C(=O)NC2(C3CC3)CC2)cn1 ZINC000630663766 397074799 /nfs/dbraw/zinc/07/47/99/397074799.db2.gz CWWMWBCSOGGSEK-QWHCGFSZSA-N -1 0 318.377 0.901 10 0 DCAERM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCN=C3C2=NNN3C)c1 ZINC000613283703 397236553 /nfs/dbraw/zinc/23/65/53/397236553.db2.gz CBVPSKDTVXFMGU-SNVBAGLBSA-N -1 0 315.333 0.758 10 0 DCAERM C[C@@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000384250441 397279618 /nfs/dbraw/zinc/27/96/18/397279618.db2.gz KYSLUHVJUHJOEQ-SFYZADRCSA-N -1 0 321.786 0.947 10 0 DCAERM Cn1cc(Br)c(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC000393252975 397305603 /nfs/dbraw/zinc/30/56/03/397305603.db2.gz CLFPGCMINSTFLQ-RITPCOANSA-N -1 0 302.128 0.520 10 0 DCAERM COC[C@H](C)S(=O)(=O)N[C@H](C)c1nc(C(=O)[O-])cs1 ZINC000399637483 397314764 /nfs/dbraw/zinc/31/47/64/397314764.db2.gz FUBAWYOWIIAJIV-NKWVEPMBSA-N -1 0 308.381 0.857 10 0 DCAERM CC(=O)N1CCC[C@H](C(=O)NC2(c3nnn[n-]3)CCCC2)C1 ZINC000605531820 397667295 /nfs/dbraw/zinc/66/72/95/397667295.db2.gz JXNLSMLSLOBYBI-NSHDSACASA-N -1 0 306.370 0.344 10 0 DCAERM CCS(=O)(=O)CC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262142885 286594676 /nfs/dbraw/zinc/59/46/76/286594676.db2.gz IRHXHVSLYBILEY-VIFPVBQESA-N -1 0 309.384 0.196 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCc2ccccc2)C1 ZINC000037463405 157988092 /nfs/dbraw/zinc/98/80/92/157988092.db2.gz GCVCAYVAWGOCAD-STQMWFEESA-N -1 0 313.375 0.733 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000040396415 157989988 /nfs/dbraw/zinc/98/99/88/157989988.db2.gz ULVLYBAWBVUSBH-CBAPKCEASA-N -1 0 323.729 0.688 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000040396331 157990399 /nfs/dbraw/zinc/99/03/99/157990399.db2.gz QMZMEDCSFUCSSN-WPRPVWTQSA-N -1 0 319.766 0.857 10 0 DCAERM Cc1cnc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000262084857 158771253 /nfs/dbraw/zinc/77/12/53/158771253.db2.gz BXOVPAVIRISFKZ-LLVKDONJSA-N -1 0 320.349 0.180 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC000262132859 158777265 /nfs/dbraw/zinc/77/72/65/158777265.db2.gz KPIORIHMWBTFRW-FXAINCCUSA-N -1 0 309.366 0.841 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CN2CCc3ccccc32)C1 ZINC000262198874 158784107 /nfs/dbraw/zinc/78/41/07/158784107.db2.gz VPRCEVFFYOCIDT-OCCSQVGLSA-N -1 0 304.346 0.750 10 0 DCAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)CNC(=O)c2ccccc2)C1 ZINC000263178470 158861449 /nfs/dbraw/zinc/86/14/49/158861449.db2.gz WTPIRWVZIVLPCU-STQMWFEESA-N -1 0 320.345 0.507 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CNC(=O)c1ccccn1 ZINC000263362215 158874827 /nfs/dbraw/zinc/87/48/27/158874827.db2.gz SESAORRZHOLQHL-GHMZBOCLSA-N -1 0 305.334 0.523 10 0 DCAERM COCCN1CCCN(C(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC000263397947 158876737 /nfs/dbraw/zinc/87/67/37/158876737.db2.gz FWBQVCKHWXLPDT-UHFFFAOYSA-N -1 0 320.345 0.706 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000263517205 158885029 /nfs/dbraw/zinc/88/50/29/158885029.db2.gz PEFQLTZJHNFODD-SFYZADRCSA-N -1 0 321.786 0.947 10 0 DCAERM C[C@@]1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCCNC1=O ZINC000329082097 159059126 /nfs/dbraw/zinc/05/91/26/159059126.db2.gz SDOHVHZXKGWWKF-LKFCYVNXSA-N -1 0 307.354 0.973 10 0 DCAERM CC(C)N(C)S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000367499637 159341868 /nfs/dbraw/zinc/34/18/68/159341868.db2.gz FPPXTYJLVQXSJP-QMMMGPOBSA-N -1 0 300.327 0.613 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCN(c2ccccc2F)C1 ZINC000367965668 159366832 /nfs/dbraw/zinc/36/68/32/159366832.db2.gz MXYCQYATAQHDIK-JTQLQIEISA-N -1 0 320.324 0.687 10 0 DCAERM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)nc1C ZINC000408125966 160042648 /nfs/dbraw/zinc/04/26/48/160042648.db2.gz HZBGWQVMUWAAEO-LLVKDONJSA-N -1 0 313.379 0.640 10 0 DCAERM CC(C)(CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C(F)(F)F ZINC000408328441 160086368 /nfs/dbraw/zinc/08/63/68/160086368.db2.gz GIENRYRUSWKQCV-ZETCQYMHSA-N -1 0 307.272 0.728 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408397232 160100607 /nfs/dbraw/zinc/10/06/07/160100607.db2.gz WRJYTTQOARCQDE-MJBXVCDLSA-N -1 0 323.370 0.947 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)C2COC2)cnn1C(C)(C)C ZINC000408477506 160116949 /nfs/dbraw/zinc/11/69/49/160116949.db2.gz OFLAHYNVZPWDBW-UHFFFAOYSA-N -1 0 301.368 0.405 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1coc(Br)c1 ZINC000408478705 160117020 /nfs/dbraw/zinc/11/70/20/160117020.db2.gz RMDUQNMWFSKWEI-UHFFFAOYSA-N -1 0 310.125 0.501 10 0 DCAERM CC(C)[C@@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408483032 160117637 /nfs/dbraw/zinc/11/76/37/160117637.db2.gz JGYFCLWPLHZYLQ-ONGXEEELSA-N -1 0 301.368 0.286 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408483131 160117766 /nfs/dbraw/zinc/11/77/66/160117766.db2.gz WFSYGWZFTFBRSQ-VXGBXAGGSA-N -1 0 304.412 0.486 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)C1CCC(=O)CC1 ZINC000408481875 160117850 /nfs/dbraw/zinc/11/78/50/160117850.db2.gz SNYWZNZAGVSTOZ-GFCCVEGCSA-N -1 0 303.380 0.761 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000408490057 160119044 /nfs/dbraw/zinc/11/90/44/160119044.db2.gz YFYBIDAXOXNUKM-SECBINFHSA-N -1 0 324.362 0.625 10 0 DCAERM Cn1nccc1CCC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000408492966 160119085 /nfs/dbraw/zinc/11/90/85/160119085.db2.gz FORUHSCPUBDBKW-MDZLAQPJSA-N -1 0 311.407 0.987 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)c1cn2c(n1)CCC2 ZINC000408494499 160119687 /nfs/dbraw/zinc/11/96/87/160119687.db2.gz CFTPJOUEZJMNBA-SNVBAGLBSA-N -1 0 313.379 0.316 10 0 DCAERM CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000408502905 160120251 /nfs/dbraw/zinc/12/02/51/160120251.db2.gz RNJDDCPGHLONGA-ZJUUUORDSA-N -1 0 301.368 0.430 10 0 DCAERM CCCCOCCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000133425981 287010894 /nfs/dbraw/zinc/01/08/94/287010894.db2.gz YBBPLZCIGVDILL-UHFFFAOYSA-N -1 0 305.356 0.593 10 0 DCAERM COCCOc1cccc(CC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357080133 287203522 /nfs/dbraw/zinc/20/35/22/287203522.db2.gz SEVCRLMSFKYTRN-UHFFFAOYSA-N -1 0 317.349 0.573 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000037463423 415191546 /nfs/dbraw/zinc/19/15/46/415191546.db2.gz XLKYWQZSAHAERW-GMSGAONNSA-N -1 0 321.301 0.827 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC000037656666 415193509 /nfs/dbraw/zinc/19/35/09/415193509.db2.gz CVUDUSOJFMINIE-DCAQKATOSA-N -1 0 306.384 0.185 10 0 DCAERM O=C(COCCOc1ccccc1)NC1(c2nnn[n-]2)CC1 ZINC000357046846 416025666 /nfs/dbraw/zinc/02/56/66/416025666.db2.gz DQPQYFWBAHUJRT-UHFFFAOYSA-N -1 0 303.322 0.401 10 0 DCAERM COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(F)cc2n[nH]nc21 ZINC000329168027 416154214 /nfs/dbraw/zinc/15/42/14/416154214.db2.gz INERUYSLSNZKDH-VHSXEESVSA-N -1 0 308.313 0.973 10 0 DCAERM CC(C)n1nnnc1CS(=O)(=O)c1n[nH]c(C(C)(C)C)n1 ZINC000195168695 416325372 /nfs/dbraw/zinc/32/53/72/416325372.db2.gz LGIILTHXLIYMOH-UHFFFAOYSA-N -1 0 313.387 0.644 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000214374134 416327145 /nfs/dbraw/zinc/32/71/45/416327145.db2.gz YMXLYAGCSXGAKN-ZWNOBZJWSA-N -1 0 318.395 0.555 10 0 DCAERM CCN1CC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000360847968 416413700 /nfs/dbraw/zinc/41/37/00/416413700.db2.gz UEJWCKSJGKJIIU-MRVPVSSYSA-N -1 0 319.408 0.302 10 0 DCAERM CO[C@H](C)CC(=O)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000583623079 416479646 /nfs/dbraw/zinc/47/96/46/416479646.db2.gz LOGSEKPDONVJBZ-YPMHNXCESA-N -1 0 314.382 0.726 10 0 DCAERM CC(C)(C)OC(=O)CCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000434511640 416483060 /nfs/dbraw/zinc/48/30/60/416483060.db2.gz CURFCLZAOBFRKJ-UHFFFAOYSA-N -1 0 318.355 0.269 10 0 DCAERM CC(=O)c1ccc([O-])c(NC(=O)COCc2nncn2C)c1 ZINC000436934358 416573271 /nfs/dbraw/zinc/57/32/71/416573271.db2.gz LMQOXOAUXDSGKP-UHFFFAOYSA-N -1 0 304.306 0.879 10 0 DCAERM CCO[C@H]1C[C@@](NC(=O)Cn2cc(C)cn2)(C(=O)[O-])C1(C)C ZINC000439707717 416621828 /nfs/dbraw/zinc/62/18/28/416621828.db2.gz RAHMHDFLDVBTPZ-XHDPSFHLSA-N -1 0 309.366 0.966 10 0 DCAERM O=C([O-])CN(C(=O)NCCCO[C@@H]1CCOC1)C1CCC1 ZINC000516617696 416729953 /nfs/dbraw/zinc/72/99/53/416729953.db2.gz YTABOZUWBAUQCK-GFCCVEGCSA-N -1 0 300.355 0.831 10 0 DCAERM C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-] ZINC000517187452 416786752 /nfs/dbraw/zinc/78/67/52/416786752.db2.gz IXZLXAUIGXBKJK-MXWKQRLJSA-N -1 0 322.427 0.962 10 0 DCAERM NS(=O)(=O)N1CCO[C@H](c2cccc(C(=O)[O-])c2)CC1 ZINC000616666497 417089778 /nfs/dbraw/zinc/08/97/78/417089778.db2.gz LTZOQPLCLIWBCL-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM CCCN(CCC)S(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000530150565 417543467 /nfs/dbraw/zinc/54/34/67/417543467.db2.gz NRJPRKKLOSZBPX-LBPRGKRZSA-N -1 0 308.400 0.529 10 0 DCAERM CC(C)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC000655896140 418298048 /nfs/dbraw/zinc/29/80/48/418298048.db2.gz KBRMMLCCZPRPJO-NXEZZACHSA-N -1 0 306.384 0.172 10 0 DCAERM C[C@@H](CCC(=O)[O-])CNS(=O)(=O)c1c(Cl)cnn1C ZINC000227865823 261152828 /nfs/dbraw/zinc/15/28/28/261152828.db2.gz FDJBJVVJHLJECL-ZETCQYMHSA-N -1 0 309.775 0.853 10 0 DCAERM O=C(CN1CCN2CCOC[C@H]2C1)[N-]OCc1ccccc1 ZINC000363796983 262130903 /nfs/dbraw/zinc/13/09/03/262130903.db2.gz DSLPKPKSKCPPTP-OAHLLOKOSA-N -1 0 305.378 0.251 10 0 DCAERM O=C(CN1CCN2CCOC[C@@H]2C1)[N-]OCc1ccccc1 ZINC000363796979 262130970 /nfs/dbraw/zinc/13/09/70/262130970.db2.gz DSLPKPKSKCPPTP-HNNXBMFYSA-N -1 0 305.378 0.251 10 0 DCAERM Cc1c([C@@H](NS(=O)(=O)N2CCC[C@H]2C)C(=O)[O-])cnn1C ZINC000530383145 287746635 /nfs/dbraw/zinc/74/66/35/287746635.db2.gz OMOOAKWATCLSIF-LDYMZIIASA-N -1 0 316.383 0.173 10 0 DCAERM CN(C)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000549791416 288205282 /nfs/dbraw/zinc/20/52/82/288205282.db2.gz ILCISMWYFXBESU-NSHDSACASA-N -1 0 316.365 0.991 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCO2)c1 ZINC000133217172 280782905 /nfs/dbraw/zinc/78/29/05/280782905.db2.gz MFCDWSCLPMPGCQ-LBPRGKRZSA-N -1 0 301.368 0.838 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)OC[C@@H]2CCCO2)C1 ZINC000262139308 293922347 /nfs/dbraw/zinc/92/23/47/293922347.db2.gz LQKHUMDPRDCWTG-WRWGMCAJSA-N -1 0 301.339 0.271 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@H](C)OC[C@H]2CCCO2)C1 ZINC000262999005 293932708 /nfs/dbraw/zinc/93/27/08/293932708.db2.gz KQANLYRTPQLAJO-UMSGYPCISA-N -1 0 315.366 0.661 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000262853082 298367649 /nfs/dbraw/zinc/36/76/49/298367649.db2.gz CBCGIOQTDDEMKS-PSASIEDQSA-N -1 0 308.400 0.320 10 0 DCAERM Cn1cnc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000052096092 303017730 /nfs/dbraw/zinc/01/77/30/303017730.db2.gz JWGSOPIEHKVOCD-LLVKDONJSA-N -1 0 307.331 0.625 10 0 DCAERM O=C(NC[C@H]1CN2CCN1CC2)c1cc(F)c(F)c([O-])c1F ZINC000183403639 303810051 /nfs/dbraw/zinc/81/00/51/303810051.db2.gz IRAXSYULBOCLOV-QMMMGPOBSA-N -1 0 315.295 0.539 10 0 DCAERM CO[P@](=O)([O-])CO[C@@H](C)Cn1cnc2c1ncnc2N ZINC000504682721 340150977 /nfs/dbraw/zinc/15/09/77/340150977.db2.gz QNIIFMBLEIMHIO-ZETCQYMHSA-N -1 0 301.243 0.603 10 0 DCAERM CC(C)C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000227864122 519251921 /nfs/dbraw/zinc/25/19/21/519251921.db2.gz AHKICMWDOMUWHA-MRVPVSSYSA-N -1 0 309.775 0.851 10 0 DCAERM C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)CC(=O)[O-] ZINC000157937443 524705078 /nfs/dbraw/zinc/70/50/78/524705078.db2.gz KTNLBDBDCNPYDB-SFYZADRCSA-N -1 0 310.272 0.624 10 0 DCAERM Cc1ccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000262100935 526057685 /nfs/dbraw/zinc/05/76/85/526057685.db2.gz DNBXMUIIPINKQL-ZDUSSCGKSA-N -1 0 319.361 0.785 10 0 DCAERM O=C(N[C@H]1CCC(=O)NC1=O)c1cc(F)cc(Cl)c1[O-] ZINC000161596582 527019694 /nfs/dbraw/zinc/01/96/94/527019694.db2.gz CNCDJZVWGRSGBC-QMMMGPOBSA-N -1 0 300.673 0.720 10 0 DCAERM CN(C(=O)N1CCCCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000080990922 545692532 /nfs/dbraw/zinc/69/25/32/545692532.db2.gz AXTAPFHDWUYDET-GHMZBOCLSA-N -1 0 318.395 0.555 10 0 DCAERM C[C@@H](NS(=O)(=O)N1CCOCC1)c1nc(C(=O)[O-])cs1 ZINC000090941167 545715971 /nfs/dbraw/zinc/71/59/71/545715971.db2.gz GKSRRHKAJNPKQY-SSDOTTSWSA-N -1 0 321.380 0.069 10 0 DCAERM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1cnccn1)CC2 ZINC000091650724 545718808 /nfs/dbraw/zinc/71/88/08/545718808.db2.gz GVTJPOGAMIPJIG-LBPRGKRZSA-N -1 0 304.350 0.769 10 0 DCAERM CC(C)(C)CS(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000092778612 545724595 /nfs/dbraw/zinc/72/45/95/545724595.db2.gz ZYCJVMNWKOWOJC-JTQLQIEISA-N -1 0 301.368 0.597 10 0 DCAERM C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000149339122 545811532 /nfs/dbraw/zinc/81/15/32/545811532.db2.gz BUARDEJOPAZOKM-XVKPBYJWSA-N -1 0 303.311 0.980 10 0 DCAERM CCS(=O)(=O)CCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000069224112 665487121 /nfs/dbraw/zinc/48/71/21/665487121.db2.gz XUEYJBLIJOFSID-UHFFFAOYSA-N -1 0 309.347 0.088 10 0 DCAERM O=C([O-])c1ccoc1S(=O)(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000723238455 658614391 /nfs/dbraw/zinc/61/43/91/658614391.db2.gz MVDPWPPAHFWLFB-RKDXNWHRSA-N -1 0 301.320 0.635 10 0 DCAERM C[C@H](CNC(=O)Cc1nn(C)c(=O)c2ccccc12)CC(=O)[O-] ZINC000262182451 658690089 /nfs/dbraw/zinc/69/00/89/658690089.db2.gz QYTLFKJPTBPXDV-JTQLQIEISA-N -1 0 317.345 0.703 10 0 DCAERM Cn1cc(S(=O)(=O)NCC[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000236086998 658802976 /nfs/dbraw/zinc/80/29/76/658802976.db2.gz SIAQDEWBXCOOKH-SECBINFHSA-N -1 0 302.352 0.428 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCO[C@H]1C ZINC000192186259 659413289 /nfs/dbraw/zinc/41/32/89/659413289.db2.gz XHCTVKGNFPGESP-WCBMZHEXSA-N -1 0 302.352 0.911 10 0 DCAERM C[C@@H](CO)N(C)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000122316018 659426738 /nfs/dbraw/zinc/42/67/38/659426738.db2.gz DLJYGDMWMVNCEB-JTQLQIEISA-N -1 0 301.364 0.705 10 0 DCAERM CC(C)S(=O)(=O)CC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262128376 662095923 /nfs/dbraw/zinc/09/59/23/662095923.db2.gz HESKIDILXAFJHG-JTQLQIEISA-N -1 0 323.411 0.584 10 0 DCAERM C[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000192219953 662132461 /nfs/dbraw/zinc/13/24/61/662132461.db2.gz DKXLZIAPFNCUKV-YUMQZZPRSA-N -1 0 321.786 0.694 10 0 DCAERM O=C([O-])CCCNC(=O)Nc1ncccc1N1CCOCC1 ZINC000263064772 662625456 /nfs/dbraw/zinc/62/54/56/662625456.db2.gz OYXUBLHRPNUHGP-UHFFFAOYSA-N -1 0 308.338 0.905 10 0 DCAERM CCC[C@@H](CNC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000263155219 662644813 /nfs/dbraw/zinc/64/48/13/662644813.db2.gz JIHYDXPLSNKPLW-LBPRGKRZSA-N -1 0 317.349 0.957 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccn(C)n2)cc1 ZINC000183144553 665986804 /nfs/dbraw/zinc/98/68/04/665986804.db2.gz XHKWWVYUPHLMKD-UHFFFAOYSA-N -1 0 321.358 0.670 10 0 DCAERM Cc1nc2c(nccc2C(=O)NCCCc2n[nH]c(=O)[n-]2)[nH]1 ZINC000437583558 663765172 /nfs/dbraw/zinc/76/51/72/663765172.db2.gz XJOZUWGIKDPDSX-UHFFFAOYSA-N -1 0 301.310 0.453 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000062873734 664624748 /nfs/dbraw/zinc/62/47/48/664624748.db2.gz GKYBNFWHEZLAEQ-GFCCVEGCSA-N -1 0 301.368 0.686 10 0 DCAERM CN1CCOC[C@@H]1CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000700189805 666692081 /nfs/dbraw/zinc/69/20/81/666692081.db2.gz WAXGFOZRAQPKPE-QMMMGPOBSA-N -1 0 320.392 0.055 10 0 DCAERM Cn1cc(Br)cc1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000703004861 667029323 /nfs/dbraw/zinc/02/93/23/667029323.db2.gz HFRTXLDHOQEMKD-APPZFPTMSA-N -1 0 317.139 0.760 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C ZINC000888321392 667161839 /nfs/dbraw/zinc/16/18/39/667161839.db2.gz PRVRVVZCYKBBNH-RQJHMYQMSA-N -1 0 308.264 0.298 10 0 DCAERM CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000448987319 667260633 /nfs/dbraw/zinc/26/06/33/667260633.db2.gz AVFGRFLUFOVZQB-WCBMZHEXSA-N -1 0 314.388 0.911 10 0 DCAERM CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000448997275 667266002 /nfs/dbraw/zinc/26/60/02/667266002.db2.gz SUWJIGZLQKOVTO-RISCZKNCSA-N -1 0 314.407 0.867 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)O1 ZINC000123727970 667842790 /nfs/dbraw/zinc/84/27/90/667842790.db2.gz IAQJWZMGLMUZTG-BQBZGAKWSA-N -1 0 307.759 0.446 10 0 DCAERM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)CO ZINC000122306441 668142542 /nfs/dbraw/zinc/14/25/42/668142542.db2.gz IAQVWYADYPJUET-ZETCQYMHSA-N -1 0 305.327 0.834 10 0 DCAERM Cn1nccc1CCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000125336920 668287511 /nfs/dbraw/zinc/28/75/11/668287511.db2.gz MHYVQMWLHJMKPX-GFCCVEGCSA-N -1 0 315.395 0.368 10 0 DCAERM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000716441316 670263732 /nfs/dbraw/zinc/26/37/32/670263732.db2.gz YIGFOFOWSFYBCV-ZIQFBCGOSA-N -1 0 302.396 0.662 10 0 DCAERM CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397545924 685273755 /nfs/dbraw/zinc/27/37/55/685273755.db2.gz YSVVKUCLWFJLFI-VGMNWLOBSA-N -1 0 307.393 0.043 10 0 DCAERM C[C@@H](NC(N)=O)C(=O)Nc1nc(Br)ccc1O ZINC000189982101 685152803 /nfs/dbraw/zinc/15/28/03/685152803.db2.gz WIHSGMLWGZZEOP-SCSAIBSYSA-N -1 0 303.116 0.545 10 0 DCAERM CO[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(C)C ZINC000381680439 685239768 /nfs/dbraw/zinc/23/97/68/685239768.db2.gz JNWNXXPLAIZWMD-JTQLQIEISA-N -1 0 302.352 0.729 10 0 DCAERM Cn1nnc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)n1 ZINC000127181094 1177300707 /nfs/dbraw/zinc/30/07/07/1177300707.db2.gz YOFWEQODFXSGLO-UHFFFAOYSA-N -1 0 313.730 0.312 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000261611824 1184464724 /nfs/dbraw/zinc/46/47/24/1184464724.db2.gz DZBRJKCNSWVDSS-QWHCGFSZSA-N -1 0 306.318 0.959 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)COCCOc2ccccc2)C1 ZINC000262169410 1185163669 /nfs/dbraw/zinc/16/36/69/1185163669.db2.gz QGFYSXKAOVHIJW-KBPBESRZSA-N -1 0 323.345 0.783 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)CN2CCc3ccccc32)nn1 ZINC000262790227 1185172676 /nfs/dbraw/zinc/17/26/76/1185172676.db2.gz KPDQCKLYVPFKIJ-UHFFFAOYSA-N -1 0 315.333 0.042 10 0 DCAERM CCCCS[C@H](C)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262792337 1185172857 /nfs/dbraw/zinc/17/28/57/1185172857.db2.gz KZHMDHDOYCZPEL-SECBINFHSA-N -1 0 300.384 0.901 10 0 DCAERM O=C([O-])C[C@@H]1CCCN1C(=O)CCn1nc2ccccn2c1=O ZINC000263033745 1185175622 /nfs/dbraw/zinc/17/56/22/1185175622.db2.gz VDBYBKIYYBSTSB-NSHDSACASA-N -1 0 318.333 0.352 10 0 DCAERM CO[C@@H](CNC(=O)C[C@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC000263159092 1185176808 /nfs/dbraw/zinc/17/68/08/1185176808.db2.gz YLKNYCDWBZTOSY-ONGXEEELSA-N -1 0 300.355 0.287 10 0 DCAERM CC(C)(C)CN(CCO)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000691041752 954680517 /nfs/dbraw/zinc/68/05/17/954680517.db2.gz DBLOUASHXQPXDG-JTQLQIEISA-N -1 0 308.400 0.121 10 0 DCAERM C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000688105610 976168812 /nfs/dbraw/zinc/16/88/12/976168812.db2.gz HLZBPOWXIAKWJN-SCZZXKLOSA-N -1 0 303.336 0.902 10 0 DCAERM COCC(COC)S(=O)(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000688583262 976187295 /nfs/dbraw/zinc/18/72/95/976187295.db2.gz CPARJVCXTPSUQM-UHFFFAOYSA-N -1 0 309.384 0.307 10 0 DCAERM O=C([O-])c1ccnc(S(=O)(=O)NCCOC2CCC2)c1 ZINC000690693265 976326749 /nfs/dbraw/zinc/32/67/49/976326749.db2.gz NDCCSOPBNRJAQD-UHFFFAOYSA-N -1 0 300.336 0.627 10 0 DCAERM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCCS2(=O)=O)o1 ZINC000694513656 976696606 /nfs/dbraw/zinc/69/66/06/976696606.db2.gz ANLIMIFIUAZMSO-QMMMGPOBSA-N -1 0 301.320 0.675 10 0 DCAERM COC(=O)CC[C@@H](NC(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000696422595 976813572 /nfs/dbraw/zinc/81/35/72/976813572.db2.gz NMEKMWNLVDHJBM-SSDOTTSWSA-N -1 0 303.702 0.210 10 0 DCAERM COC(=O)CCS(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000061857495 291045408 /nfs/dbraw/zinc/04/54/08/291045408.db2.gz QIHWWKLOXNLUJS-UHFFFAOYSA-N -1 0 301.320 0.998 10 0 DCAERM O=C([O-])CNC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000003042139 304069620 /nfs/dbraw/zinc/06/96/20/304069620.db2.gz PZFQQDBVFHJMKZ-ZJUUUORDSA-N -1 0 307.375 0.227 10 0 DCAERM C[C@H]1CN(S(=O)(=O)NCC2(CC(=O)[O-])CCC2)C[C@H](C)O1 ZINC000164929317 291248177 /nfs/dbraw/zinc/24/81/77/291248177.db2.gz XJXNREWXJURYHN-QWRGUYRKSA-N -1 0 320.411 0.575 10 0 DCAERM COCCN(CCOC)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000165439161 291248373 /nfs/dbraw/zinc/24/83/73/291248373.db2.gz CQBBIYPLQBQIKN-UHFFFAOYSA-N -1 0 302.371 0.936 10 0 DCAERM Cc1ccccc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000167253089 291248739 /nfs/dbraw/zinc/24/87/39/291248739.db2.gz VOMNULQPFLOQOW-UHFFFAOYSA-N -1 0 310.335 0.150 10 0 DCAERM CO[C@@H](C)c1nsc(=NC2CCN(S(C)(=O)=O)CC2)[n-]1 ZINC000400203227 239251347 /nfs/dbraw/zinc/25/13/47/239251347.db2.gz PLBISDMJVQSNNO-QMMMGPOBSA-N -1 0 320.440 0.503 10 0 DCAERM O=C([O-])Cc1csc(N2C(=O)C[C@H](N3CCCC3)C2=O)n1 ZINC000019766979 182144336 /nfs/dbraw/zinc/14/43/36/182144336.db2.gz XAJTYTTUVCRPSA-VIFPVBQESA-N -1 0 309.347 0.498 10 0 DCAERM C[C@@H](O)[C@H](NC(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000020480842 182222337 /nfs/dbraw/zinc/22/23/37/182222337.db2.gz PSJZGUXSEQRPEZ-XRGYYRRGSA-N -1 0 303.112 0.408 10 0 DCAERM CC(C)(C)SCC(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000020550607 182230058 /nfs/dbraw/zinc/23/00/58/182230058.db2.gz VIPSUGALACCKRI-MRVPVSSYSA-N -1 0 311.425 0.522 10 0 DCAERM CC(=O)NCCN(C(=O)CCOCC(C)C)[C@H](C)C(=O)[O-] ZINC000357764548 261583708 /nfs/dbraw/zinc/58/37/08/261583708.db2.gz APBHOJKQCUEGIR-LLVKDONJSA-N -1 0 302.371 0.487 10 0 DCAERM COCCN(C(=O)CCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000037828013 182929904 /nfs/dbraw/zinc/92/99/04/182929904.db2.gz UIJXRMFKKCRRTP-NSHDSACASA-N -1 0 321.395 0.294 10 0 DCAERM O=C([O-])c1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000262377212 304256076 /nfs/dbraw/zinc/25/60/76/304256076.db2.gz HQUKTHAHBPKMFL-JTQLQIEISA-N -1 0 301.306 0.849 10 0 DCAERM O=C([O-])c1cnc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000263259911 304275636 /nfs/dbraw/zinc/27/56/36/304275636.db2.gz JJMICQWNYSUMKE-JTQLQIEISA-N -1 0 305.212 0.314 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000013028514 395688378 /nfs/dbraw/zinc/68/83/78/395688378.db2.gz HXGOBRXTWYDBOM-CBAPKCEASA-N -1 0 323.729 0.688 10 0 DCAERM CC(C)(C)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000005496955 395682806 /nfs/dbraw/zinc/68/28/06/395682806.db2.gz PORWSLUULGTXGS-BKPPORCPSA-N -1 0 300.380 0.664 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000037463425 395727585 /nfs/dbraw/zinc/72/75/85/395727585.db2.gz XLKYWQZSAHAERW-OIBJUYFYSA-N -1 0 321.301 0.827 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N[C@H]1CCN(c2ccccn2)C1 ZINC000195433387 395827100 /nfs/dbraw/zinc/82/71/00/395827100.db2.gz VLUCRJPDLFNQKW-VIFPVBQESA-N -1 0 324.328 0.647 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N[C@@H]1CCN(c2ccccn2)C1 ZINC000195433394 395827350 /nfs/dbraw/zinc/82/73/50/395827350.db2.gz VLUCRJPDLFNQKW-SECBINFHSA-N -1 0 324.328 0.647 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCCc2ccsc2)C1 ZINC000049160288 395828935 /nfs/dbraw/zinc/82/89/35/395828935.db2.gz NEPLJLBXJKMNDK-NSHDSACASA-N -1 0 318.420 0.922 10 0 DCAERM C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000224410668 395857885 /nfs/dbraw/zinc/85/78/85/395857885.db2.gz CEJQKCHHOBZVKF-OPRDCNLKSA-N -1 0 308.425 0.811 10 0 DCAERM CSc1nn(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000194577545 395800769 /nfs/dbraw/zinc/80/07/69/395800769.db2.gz ASIRYSGDDFMZPO-UWVGGRQHSA-N -1 0 312.395 0.463 10 0 DCAERM Cc1ccsc1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000110286854 395800883 /nfs/dbraw/zinc/80/08/83/395800883.db2.gz HRASKTHVPULSCU-UHFFFAOYSA-N -1 0 301.349 0.956 10 0 DCAERM C[C@@H](C(=O)[O-])N(C)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000054068097 395893186 /nfs/dbraw/zinc/89/31/86/395893186.db2.gz TVTMIQABSDZJOM-VIFPVBQESA-N -1 0 314.363 0.705 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])c2cccs2)c[nH]1 ZINC000125278390 395902147 /nfs/dbraw/zinc/90/21/47/395902147.db2.gz XVKDBKCNKUYVAJ-VIFPVBQESA-N -1 0 301.349 0.884 10 0 DCAERM COCCN(CCOC)C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000128405396 395918446 /nfs/dbraw/zinc/91/84/46/395918446.db2.gz SYEQGKYEWJLBDQ-NEPJUHHUSA-N -1 0 302.371 0.886 10 0 DCAERM CC(C)(C)OC(=O)Nc1nc2c(ncn2CC(=O)[O-])c(=O)[nH]1 ZINC000238091501 395921238 /nfs/dbraw/zinc/92/12/38/395921238.db2.gz CALJQZKJKDPZDN-UHFFFAOYSA-N -1 0 309.282 0.551 10 0 DCAERM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccnn2)cc1 ZINC000227882463 395870471 /nfs/dbraw/zinc/87/04/71/395870471.db2.gz RWJCEGRZWYVLAN-UHFFFAOYSA-N -1 0 307.331 0.993 10 0 DCAERM Cc1cc(S(=O)(=O)NCc2noc(C)n2)sc1C(=O)[O-] ZINC000231788086 395885716 /nfs/dbraw/zinc/88/57/16/395885716.db2.gz SVHZMJFJKBZCLZ-UHFFFAOYSA-N -1 0 317.348 0.925 10 0 DCAERM CCN(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)CC(=O)[O-] ZINC000061213692 395966329 /nfs/dbraw/zinc/96/63/29/395966329.db2.gz NAFBIVDTDCFDER-VHSXEESVSA-N -1 0 306.384 0.410 10 0 DCAERM O=C([N-]OC[C@H]1CCOC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000248978830 396001033 /nfs/dbraw/zinc/00/10/33/396001033.db2.gz UVVUYWAIPPZLDM-JKSUJKDBSA-N -1 0 320.389 0.972 10 0 DCAERM C[C@@H](CO)[C@H](C)NC(=O)CNS(=O)(=O)c1cccs1 ZINC000151936363 395996949 /nfs/dbraw/zinc/99/69/49/395996949.db2.gz ROHOTUJYUYKOJS-IUCAKERBSA-N -1 0 306.409 0.160 10 0 DCAERM O=C([O-])[C@H]1CC[C@H](CNC(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000253130319 396025431 /nfs/dbraw/zinc/02/54/31/396025431.db2.gz OCGPAUQWNPYGQT-XYPYZODXSA-N -1 0 318.395 0.317 10 0 DCAERM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@H]([C@@H]2O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]13 ZINC000256046266 396033644 /nfs/dbraw/zinc/03/36/44/396033644.db2.gz DVUUKJRIDQYMNQ-MJYBNVITSA-N -1 0 318.285 0.638 10 0 DCAERM COCCN(CCOC)C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000165427199 396088522 /nfs/dbraw/zinc/08/85/22/396088522.db2.gz OHCKKGYHFDQSRW-SMDDNHRTSA-N -1 0 302.371 0.934 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)c[nH]1 ZINC000589430218 396714726 /nfs/dbraw/zinc/71/47/26/396714726.db2.gz VYWOOFNMNIHJJF-UHFFFAOYSA-N -1 0 319.350 0.803 10 0 DCAERM Cc1c(S(=O)(=O)N[C@@H]2CCC[C@@H](C(=O)[O-])C2)cnn1C ZINC000312713702 396766455 /nfs/dbraw/zinc/76/64/55/396766455.db2.gz PVCQPHJEOMWFKU-NXEZZACHSA-N -1 0 301.368 0.650 10 0 DCAERM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000328657096 396830528 /nfs/dbraw/zinc/83/05/28/396830528.db2.gz ZZJLDBYYBZPBHX-GFCCVEGCSA-N -1 0 307.350 0.943 10 0 DCAERM CN(C(=O)N1CC(C)(C)[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000630427294 397018599 /nfs/dbraw/zinc/01/85/99/397018599.db2.gz FEOAQISIOUEJJB-IUCAKERBSA-N -1 0 304.368 0.020 10 0 DCAERM CCCCN(C)S(=O)(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630431276 397019732 /nfs/dbraw/zinc/01/97/32/397019732.db2.gz CUEZQCSYPMNXKG-GFCCVEGCSA-N -1 0 308.400 0.434 10 0 DCAERM CCn1cc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])N2C2CC2)cn1 ZINC000630657832 397073008 /nfs/dbraw/zinc/07/30/08/397073008.db2.gz ACGYXEGEIHTAEF-KGLIPLIRSA-N -1 0 320.393 0.941 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC[C@H]1CCC(=O)[O-] ZINC000383340759 397277132 /nfs/dbraw/zinc/27/71/32/397277132.db2.gz WGFKUCISGMCUAE-JTQLQIEISA-N -1 0 307.368 0.599 10 0 DCAERM CS(=O)(=O)N1CCC[C@@H](Nc2ncncc2C(=O)[O-])C1 ZINC000400145756 397315899 /nfs/dbraw/zinc/31/58/99/397315899.db2.gz ZBGQXZOSLODSQT-MRVPVSSYSA-N -1 0 300.340 0.011 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1COC(C)(C)C1 ZINC000396503697 397310760 /nfs/dbraw/zinc/31/07/60/397310760.db2.gz LEQGIGVVJJDFED-SSDOTTSWSA-N -1 0 320.392 0.776 10 0 DCAERM Cc1ccc(F)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000040396304 157990103 /nfs/dbraw/zinc/99/01/03/157990103.db2.gz KQJJHELDZCINKB-WPRPVWTQSA-N -1 0 303.311 0.343 10 0 DCAERM CCC[C@H](CNC(=O)c1cnc2sccn2c1=O)C(=O)[O-] ZINC000087488986 158093362 /nfs/dbraw/zinc/09/33/62/158093362.db2.gz DIQUCIIBPLMDNC-MRVPVSSYSA-N -1 0 309.347 0.987 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000123616463 158231519 /nfs/dbraw/zinc/23/15/19/158231519.db2.gz VYQMNSCIKOVCTH-LBPRGKRZSA-N -1 0 315.395 0.433 10 0 DCAERM C[C@]1(C(=O)[O-])CCCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000134054041 158323973 /nfs/dbraw/zinc/32/39/73/158323973.db2.gz QHIOLBRCHHMBQI-GFCCVEGCSA-N -1 0 304.368 0.166 10 0 DCAERM CCOc1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000262038264 158766341 /nfs/dbraw/zinc/76/63/41/158766341.db2.gz BOHRDUHEXOOZFG-UHFFFAOYSA-N -1 0 304.306 0.691 10 0 DCAERM C[C@H](CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)CC(=O)[O-] ZINC000262151888 158779128 /nfs/dbraw/zinc/77/91/28/158779128.db2.gz LRJKFSROLAXFNQ-VIFPVBQESA-N -1 0 319.317 0.329 10 0 DCAERM C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)Nc1ccccc1 ZINC000262352712 158802434 /nfs/dbraw/zinc/80/24/34/158802434.db2.gz ZFFYKCIUPBCPTP-ADEWGFFLSA-N -1 0 306.318 0.762 10 0 DCAERM Cc1ccnc2nc(C(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)nn21 ZINC000262711730 158835705 /nfs/dbraw/zinc/83/57/05/158835705.db2.gz CRYCFHMPPJFXLO-ZJUUUORDSA-N -1 0 319.321 0.042 10 0 DCAERM C[C@H]1CCCN(C(=O)Cn2cnc3c2ncnc3N)[C@@H]1C(=O)[O-] ZINC000263026287 158853590 /nfs/dbraw/zinc/85/35/90/158853590.db2.gz GFITWMNXNYMVSH-KWQFWETISA-N -1 0 318.337 0.120 10 0 DCAERM C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](OC)C(=O)[O-] ZINC000263104513 158856000 /nfs/dbraw/zinc/85/60/00/158856000.db2.gz OTYMQRGAHVMIFO-LBPRGKRZSA-N -1 0 304.302 0.329 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263186541 158860823 /nfs/dbraw/zinc/86/08/23/158860823.db2.gz KTLKCYBKKWQAQH-UWVGGRQHSA-N -1 0 307.368 0.455 10 0 DCAERM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CCn1nc2ccccn2c1=O ZINC000263225997 158863873 /nfs/dbraw/zinc/86/38/73/158863873.db2.gz RNEWHWCVJOYJJB-WDEREUQCSA-N -1 0 318.333 0.208 10 0 DCAERM COC[C@@H](C)S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000368489669 159398480 /nfs/dbraw/zinc/39/84/80/159398480.db2.gz DUNMEGBOWBILIM-SFYZADRCSA-N -1 0 301.311 0.393 10 0 DCAERM C[C@@H]1CN(C)CCN1C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000408114004 160038912 /nfs/dbraw/zinc/03/89/12/160038912.db2.gz VFILZAHKASXBKJ-LLVKDONJSA-N -1 0 311.407 0.834 10 0 DCAERM CC(C)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408156664 160049290 /nfs/dbraw/zinc/04/92/90/160049290.db2.gz AMHDEYYWXXLPTD-VHSXEESVSA-N -1 0 313.379 0.763 10 0 DCAERM C[C@H]1[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1(F)F ZINC000408232087 160064736 /nfs/dbraw/zinc/06/47/36/160064736.db2.gz RGOHAMDAHROFOT-IUYQGCFVSA-N -1 0 312.323 0.749 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)O1 ZINC000408300275 160080136 /nfs/dbraw/zinc/08/01/36/160080136.db2.gz XFQSFQXEAPYLTO-LDYMZIIASA-N -1 0 313.331 0.788 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000408383412 160097021 /nfs/dbraw/zinc/09/70/21/160097021.db2.gz HJQOXAUMLUWNCW-GXSJLCMTSA-N -1 0 324.358 0.347 10 0 DCAERM Cc1nc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c(C)s1 ZINC000408401200 160101490 /nfs/dbraw/zinc/10/14/90/160101490.db2.gz AQIYRJCWUGECKP-SECBINFHSA-N -1 0 304.393 0.999 10 0 DCAERM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)[C@H]3CCCOC3)c2n1 ZINC000408409413 160102851 /nfs/dbraw/zinc/10/28/51/160102851.db2.gz XTCZEWBTZBFMGT-JTQLQIEISA-N -1 0 324.362 0.276 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)CCCO1 ZINC000408487826 160118928 /nfs/dbraw/zinc/11/89/28/160118928.db2.gz WSLKMSVKFXJDGF-AWEZNQCLSA-N -1 0 311.359 0.996 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)nnn1C(C)C ZINC000408488474 160119229 /nfs/dbraw/zinc/11/92/29/160119229.db2.gz NUGCABSTGLEJCD-SECBINFHSA-N -1 0 302.356 0.016 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CCO[C@@H]2C(C)C)cn1C ZINC000408495505 160119658 /nfs/dbraw/zinc/11/96/58/160119658.db2.gz FZBYZSGVNBIVGI-ZYHUDNBSSA-N -1 0 315.395 0.595 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2n[nH]nc2c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408505177 160120367 /nfs/dbraw/zinc/12/03/67/160120367.db2.gz WKVBFTIAMJNKKN-GGZOMVNGSA-N -1 0 322.346 0.188 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000408500248 160120378 /nfs/dbraw/zinc/12/03/78/160120378.db2.gz PNFADPRGMBKEOS-XQHKEYJVSA-N -1 0 316.423 0.342 10 0 DCAERM Cc1ncc(S(=O)(=O)[N-]C(=O)c2cn3c(n2)CCC3)s1 ZINC000408500851 160120475 /nfs/dbraw/zinc/12/04/75/160120475.db2.gz PKUFKZDLVLAIGB-UHFFFAOYSA-N -1 0 312.376 0.713 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000408502901 160120540 /nfs/dbraw/zinc/12/05/40/160120540.db2.gz RNJDDCPGHLONGA-NXEZZACHSA-N -1 0 301.368 0.430 10 0 DCAERM C[C@H](O)CN1CCN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C ZINC000248416907 287096909 /nfs/dbraw/zinc/09/69/09/287096909.db2.gz QITQNSYTGWFPHH-MNOVXSKESA-N -1 0 303.366 0.485 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCCO1 ZINC000037656662 415194757 /nfs/dbraw/zinc/19/47/57/415194757.db2.gz CTEVURNGFJTVNW-ONGXEEELSA-N -1 0 306.384 0.185 10 0 DCAERM Cc1n[nH]cc1S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090932920 415530349 /nfs/dbraw/zinc/53/03/49/415530349.db2.gz IUSIVTNKZIKAPX-UHFFFAOYSA-N -1 0 302.337 0.351 10 0 DCAERM CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C(F)(F)C2)cn1 ZINC000289759986 415714578 /nfs/dbraw/zinc/71/45/78/415714578.db2.gz PHRZGGAJYBCUDG-VIFPVBQESA-N -1 0 323.321 0.634 10 0 DCAERM Cc1ccc(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1O ZINC000357904342 416150948 /nfs/dbraw/zinc/15/09/48/416150948.db2.gz CLJJTHZWSUWGKK-UHFFFAOYSA-N -1 0 310.335 0.403 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000190362431 416277456 /nfs/dbraw/zinc/27/74/56/416277456.db2.gz MHNWCUQFMVZSKD-NSHDSACASA-N -1 0 315.370 0.900 10 0 DCAERM COCC(=O)NC1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000192552053 416308310 /nfs/dbraw/zinc/30/83/10/416308310.db2.gz QQVNLHKIPMKZQX-UHFFFAOYSA-N -1 0 316.716 0.772 10 0 DCAERM CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(F)cn1)C(=O)[O-] ZINC000263318314 416337674 /nfs/dbraw/zinc/33/76/74/416337674.db2.gz ZRFUOEIZURHXRA-NSHDSACASA-N -1 0 311.313 0.566 10 0 DCAERM CCN1CC[C@H]([N-]S(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000360847971 416413861 /nfs/dbraw/zinc/41/38/61/416413861.db2.gz UEJWCKSJGKJIIU-QMMMGPOBSA-N -1 0 319.408 0.302 10 0 DCAERM Cc1nc(=NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)s[n-]1 ZINC000360988362 416417969 /nfs/dbraw/zinc/41/79/69/416417969.db2.gz YOAXSIORPQPDMM-AWEZNQCLSA-N -1 0 317.374 0.935 10 0 DCAERM O=C(Cc1ccn(-c2ccccc2)n1)NC1(c2nnn[n-]2)CC1 ZINC000558715446 416790918 /nfs/dbraw/zinc/79/09/18/416790918.db2.gz TVUWRAGQCZSGOI-UHFFFAOYSA-N -1 0 309.333 0.733 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408475939 417164025 /nfs/dbraw/zinc/16/40/25/417164025.db2.gz IMFAOZCJVJKZQP-BDAKNGLRSA-N -1 0 317.367 0.575 10 0 DCAERM C/C=C\C[C@H](NS(=O)(=O)C1(COC)CC1)C(=O)OCC ZINC000451395757 417342006 /nfs/dbraw/zinc/34/20/06/417342006.db2.gz XBCPLUJHUMQQAA-QZPNVGJNSA-N -1 0 305.396 0.983 10 0 DCAERM COCCCN(CCOC)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000166747553 545877898 /nfs/dbraw/zinc/87/78/98/545877898.db2.gz BDOGNYFMKDAVSD-UHFFFAOYSA-N -1 0 302.371 0.936 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000576518296 417616145 /nfs/dbraw/zinc/61/61/45/417616145.db2.gz YCZYXPSPDAHAFC-VHSXEESVSA-N -1 0 307.368 0.312 10 0 DCAERM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262856302 278305040 /nfs/dbraw/zinc/30/50/40/278305040.db2.gz DSDUVSBOZGWJGB-UWVGGRQHSA-N -1 0 302.346 0.953 10 0 DCAERM CCN(CC)S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000551911986 288244116 /nfs/dbraw/zinc/24/41/16/288244116.db2.gz DWUFYBSBOLWNOC-MRVPVSSYSA-N -1 0 300.327 0.615 10 0 DCAERM CO[C@@H](C)c1nc(=NC(=O)c2cn3cccnc3n2)s[n-]1 ZINC000555315922 288348836 /nfs/dbraw/zinc/34/88/36/288348836.db2.gz NGNJRGWIVBVWGX-ZETCQYMHSA-N -1 0 304.335 0.962 10 0 DCAERM CN1C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)CC1=O ZINC000263089359 290301412 /nfs/dbraw/zinc/30/14/12/290301412.db2.gz DKRICPUBNJESMK-RFAUZJTJSA-N -1 0 308.309 0.720 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000214877564 293924574 /nfs/dbraw/zinc/92/45/74/293924574.db2.gz BUDPCVLDZLKIJA-HTQZYQBOSA-N -1 0 319.301 0.833 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])no1 ZINC000235329866 301279685 /nfs/dbraw/zinc/27/96/85/301279685.db2.gz WUWMDTTZBZNPHT-LDYMZIIASA-N -1 0 302.352 0.998 10 0 DCAERM Cn1cnc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000052096093 303018119 /nfs/dbraw/zinc/01/81/19/303018119.db2.gz JWGSOPIEHKVOCD-NSHDSACASA-N -1 0 307.331 0.625 10 0 DCAERM CCOC(=O)[C@@H](CC(=O)N1CCOC1=O)[C@H](C)CC(=O)[O-] ZINC000584658970 337378193 /nfs/dbraw/zinc/37/81/93/337378193.db2.gz HDSGDPPOOBTVEL-BDAKNGLRSA-N -1 0 301.295 0.645 10 0 DCAERM CC(=O)N[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000262802462 519692777 /nfs/dbraw/zinc/69/27/77/519692777.db2.gz CTDGGFYGOQEYQP-DDTOSNHZSA-N -1 0 304.346 0.838 10 0 DCAERM CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H](CF)C(=O)[O-] ZINC000263048198 519820373 /nfs/dbraw/zinc/82/03/73/519820373.db2.gz WGMBJFIQWOLGIE-SCZZXKLOSA-N -1 0 300.286 0.573 10 0 DCAERM O=C([O-])C1(NC(=O)CCn2nc3ccccn3c2=O)CCC1 ZINC000237928995 527556359 /nfs/dbraw/zinc/55/63/59/527556359.db2.gz QNHXRZPZMOUKMC-UHFFFAOYSA-N -1 0 304.306 0.010 10 0 DCAERM CC(C)C[C@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000094706401 545727446 /nfs/dbraw/zinc/72/74/46/545727446.db2.gz BKJBTFTWDZJUOZ-SNVBAGLBSA-N -1 0 322.427 0.856 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N=S2(=O)CCNCC2)cs1 ZINC000725261130 548748977 /nfs/dbraw/zinc/74/89/77/548748977.db2.gz OPRSOUZRPGPMQG-UHFFFAOYSA-N -1 0 324.405 0.206 10 0 DCAERM CC(C)(C)OC(=O)NC[C@]1(C(=O)[O-])CCCS(=O)(=O)C1 ZINC000725244029 548748703 /nfs/dbraw/zinc/74/87/03/548748703.db2.gz CYBHFPYWLIROEE-GFCCVEGCSA-N -1 0 307.368 0.791 10 0 DCAERM Cc1cc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2C2CC2)nc(C)n1 ZINC000888101889 661180903 /nfs/dbraw/zinc/18/09/03/661180903.db2.gz QVTQDMKXSAPLNN-KBPBESRZSA-N -1 0 318.377 0.790 10 0 DCAERM C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)CS2 ZINC000162187045 658078476 /nfs/dbraw/zinc/07/84/76/658078476.db2.gz KCHGPYIZNUGVHF-ISTVAULSSA-N -1 0 312.391 0.764 10 0 DCAERM Cc1nc(S(=O)(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cn1C ZINC000722644607 658206833 /nfs/dbraw/zinc/20/68/33/658206833.db2.gz KIGNZVBVTUTIQX-PSASIEDQSA-N -1 0 301.368 0.460 10 0 DCAERM COC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262957973 658210612 /nfs/dbraw/zinc/21/06/12/658210612.db2.gz LTVWRUKSUJMMRD-SRVKXCTJSA-N -1 0 321.329 0.777 10 0 DCAERM CC(C)(C)[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000050604089 658770387 /nfs/dbraw/zinc/77/03/87/658770387.db2.gz ZJWCEVYMPTZPPF-IUCAKERBSA-N -1 0 306.384 0.220 10 0 DCAERM CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262275405 658930689 /nfs/dbraw/zinc/93/06/89/658930689.db2.gz YSVVKUCLWFJLFI-HRDYMLBCSA-N -1 0 307.393 0.043 10 0 DCAERM CCS(=O)(=O)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262186394 662152441 /nfs/dbraw/zinc/15/24/41/662152441.db2.gz MXJUJWXBDBBSIH-LBPRGKRZSA-N -1 0 311.359 0.632 10 0 DCAERM CC(C)[C@@H](C(=O)N[C@@H](C)CCC(=O)[O-])N1CCCS1(=O)=O ZINC000262227916 662178467 /nfs/dbraw/zinc/17/84/67/662178467.db2.gz RYLAORBVHXVGBA-JQWIXIFHSA-N -1 0 320.411 0.416 10 0 DCAERM COC[C@@H](CO)NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263500839 662703218 /nfs/dbraw/zinc/70/32/18/662703218.db2.gz VKBVPQRWCOWUGH-UONOGXRCSA-N -1 0 324.377 0.769 10 0 DCAERM CC(C)NC(=O)C1CCN(C(=O)c2nccnc2C(=O)[O-])CC1 ZINC000223210921 664403596 /nfs/dbraw/zinc/40/35/96/664403596.db2.gz SYTXFKSTCGOMCR-UHFFFAOYSA-N -1 0 320.349 0.552 10 0 DCAERM CCCC(=O)NCC(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000171532378 664609997 /nfs/dbraw/zinc/60/99/97/664609997.db2.gz ZHKOGCFKGDJIHO-UHFFFAOYSA-N -1 0 304.412 0.929 10 0 DCAERM COC(C)(C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000171700368 664611985 /nfs/dbraw/zinc/61/19/85/664611985.db2.gz BYNJNUASXKGQRO-UHFFFAOYSA-N -1 0 312.391 0.831 10 0 DCAERM CCCC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000035410836 665163195 /nfs/dbraw/zinc/16/31/95/665163195.db2.gz FJPJIRFBOLILDD-AXFHLTTASA-N -1 0 308.400 0.573 10 0 DCAERM CO[C@@](C)(CO)CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000702556972 666968799 /nfs/dbraw/zinc/96/87/99/666968799.db2.gz UHYREMWCSIQRHK-SNVBAGLBSA-N -1 0 312.750 0.550 10 0 DCAERM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000714443016 670189078 /nfs/dbraw/zinc/18/90/78/670189078.db2.gz JHWYKRYZJGACQL-OCAPTIKFSA-N -1 0 320.392 0.633 10 0 DCAERM Cn1nc(C(=O)[O-])cc1C[NH2+]CCONC(=O)OC(C)(C)C ZINC000757179398 670358089 /nfs/dbraw/zinc/35/80/89/670358089.db2.gz FBXJVQPLXQHOQY-UHFFFAOYSA-N -1 0 314.342 0.664 10 0 DCAERM COC[C@@H]1CCN(C(=O)N2CCC(OCC(=O)[O-])CC2)C1 ZINC000081106728 670413201 /nfs/dbraw/zinc/41/32/01/670413201.db2.gz NNXJNFDUBALIOO-LLVKDONJSA-N -1 0 300.355 0.640 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CCO1 ZINC000720406571 685313412 /nfs/dbraw/zinc/31/34/12/685313412.db2.gz BURSRJWVOJMTQR-SECBINFHSA-N -1 0 300.336 0.579 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NCC[C@H]2CCCO2)ccc1O ZINC000037981789 685056888 /nfs/dbraw/zinc/05/68/88/685056888.db2.gz ZYMRPPFRCIRKHI-SECBINFHSA-N -1 0 315.347 0.938 10 0 DCAERM COc1cc([N-]S(=O)(=O)c2ncn(C)c2Cl)nn1C ZINC000381633935 685240139 /nfs/dbraw/zinc/24/01/39/685240139.db2.gz CFYPDPIAYYFPGU-UHFFFAOYSA-N -1 0 305.747 0.616 10 0 DCAERM CO[C@@H]([C@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000384278084 685243320 /nfs/dbraw/zinc/24/33/20/685243320.db2.gz AXIPFERELWCJJA-CPCISQLKSA-N -1 0 302.352 0.805 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC000262407158 1157790601 /nfs/dbraw/zinc/79/06/01/1157790601.db2.gz CUSLARCJVPSFKW-NXEZZACHSA-N -1 0 319.321 0.055 10 0 DCAERM CC[C@@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](C)O ZINC000395650567 1157952413 /nfs/dbraw/zinc/95/24/13/1157952413.db2.gz KIEXKCMCOBYCTK-VXNVDRBHSA-N -1 0 304.324 0.738 10 0 DCAERM CCc1oc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000261599152 1184455408 /nfs/dbraw/zinc/45/54/08/1184455408.db2.gz AVKGTAYMJDUWMA-ZETCQYMHSA-N -1 0 301.320 0.457 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCNC(=O)c2ccco2)C1 ZINC000261641687 1184604976 /nfs/dbraw/zinc/60/49/76/1184604976.db2.gz ITRFXQSBSKZBMM-UWVGGRQHSA-N -1 0 310.306 0.100 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000262089540 1185161141 /nfs/dbraw/zinc/16/11/41/1185161141.db2.gz CGKOXTOKHSBZAZ-QWHCGFSZSA-N -1 0 316.317 0.581 10 0 DCAERM COc1cccc(OC)c1CC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000262103844 1185161937 /nfs/dbraw/zinc/16/19/37/1185161937.db2.gz FTPRXICATRVUTC-PWSUYJOCSA-N -1 0 323.345 0.947 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000262184414 1185164176 /nfs/dbraw/zinc/16/41/76/1185164176.db2.gz SMBOOXDKPTYEAG-STQMWFEESA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)COc2cccc(C(C)=O)c2)C1 ZINC000262169568 1185164207 /nfs/dbraw/zinc/16/42/07/1185164207.db2.gz QILZEYXKVVUOHF-ZIAGYGMSSA-N -1 0 321.329 0.969 10 0 DCAERM CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](OC)C(=O)[O-] ZINC000263149159 1185176787 /nfs/dbraw/zinc/17/67/87/1185176787.db2.gz WSCOSUFJOICMDH-VHSXEESVSA-N -1 0 318.395 0.294 10 0 DCAERM Cn1nccc1N1CCC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000263428005 1185178800 /nfs/dbraw/zinc/17/88/00/1185178800.db2.gz YGFXZMYFRXKUCY-NEPJUHHUSA-N -1 0 321.381 0.505 10 0 DCAERM CO[C@H](C)CN(C(C)C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000688084719 954622810 /nfs/dbraw/zinc/62/28/10/954622810.db2.gz YNPVFCQZUBNROP-MNOVXSKESA-N -1 0 308.400 0.526 10 0 DCAERM COCCC(C)(C)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689201386 954644078 /nfs/dbraw/zinc/64/40/78/954644078.db2.gz LDPBPIHDOOXNRL-JTQLQIEISA-N -1 0 308.400 0.433 10 0 DCAERM CC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])[C@H](C)CO1 ZINC000689233452 954648099 /nfs/dbraw/zinc/64/80/99/954648099.db2.gz KODRDCQWMVHBRE-VWYCJHECSA-N -1 0 306.384 0.280 10 0 DCAERM CO[C@@](C)(CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC000689245015 954649426 /nfs/dbraw/zinc/64/94/26/954649426.db2.gz XIMCUBKWPKHOGO-JQWIXIFHSA-N -1 0 306.384 0.185 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(Cc2nsc(N(C)C)n2)C1 ZINC000699075976 968973838 /nfs/dbraw/zinc/97/38/38/968973838.db2.gz JHPKYTVKQGTDES-LBPRGKRZSA-N -1 0 300.384 0.527 10 0 DCAERM Cc1cccc(CCNS(=O)(=O)N(C)CCC(=O)[O-])n1 ZINC000689417582 976254347 /nfs/dbraw/zinc/25/43/47/976254347.db2.gz CHKGNEMAAWFSAO-UHFFFAOYSA-N -1 0 301.368 0.173 10 0 DCAERM Cn1nnc(Br)c1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000695035410 976771241 /nfs/dbraw/zinc/77/12/41/976771241.db2.gz WMQUULKUKHAWLQ-LURJTMIESA-N -1 0 315.127 0.481 10 0 DCAERM Cn1nnc(Br)c1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000695035411 976771298 /nfs/dbraw/zinc/77/12/98/976771298.db2.gz WMQUULKUKHAWLQ-ZCFIWIBFSA-N -1 0 315.127 0.481 10 0 DCAERM C[S@](=O)CCNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000698793857 976904824 /nfs/dbraw/zinc/90/48/24/976904824.db2.gz UDNRNVYRDWPOBW-FQEVSTJZSA-N -1 0 302.356 0.203 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)NC2(C3CCC3)CC2)CC1 ZINC000829289263 978997265 /nfs/dbraw/zinc/99/72/65/978997265.db2.gz VKWWSALHGUUBOZ-UHFFFAOYSA-N -1 0 302.396 0.950 10 0 DCAERM C[C@]12CCC(=O)N1[C@H](C(=O)N(CC(=O)[O-])CC1CC1)CS2 ZINC000036884329 545646295 /nfs/dbraw/zinc/64/62/95/545646295.db2.gz WPUBYYVZUZAQMC-HZMBPMFUSA-N -1 0 312.391 0.764 10 0 DCAERM COCc1nc2ncc3c(ccn(CCC(=O)[O-])c3=O)n2n1 ZINC000072466524 191173817 /nfs/dbraw/zinc/17/38/17/191173817.db2.gz PLVKFNWKJMZWPK-UHFFFAOYSA-N -1 0 303.278 0.060 10 0 DCAERM O=C(CCNS(=O)(=O)c1cccs1)NCC1CC(O)C1 ZINC000091524900 545717790 /nfs/dbraw/zinc/71/77/90/545717790.db2.gz HFMQBWTZXAQQKZ-UHFFFAOYSA-N -1 0 318.420 0.304 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cnn2c1CCCC2 ZINC000180202718 237252754 /nfs/dbraw/zinc/25/27/54/237252754.db2.gz HHBNJACUJICIEN-JTQLQIEISA-N -1 0 313.379 0.458 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)O2)nc1C ZINC000180199694 237254064 /nfs/dbraw/zinc/25/40/64/237254064.db2.gz QXBLYRUHYVPOEB-WPRPVWTQSA-N -1 0 301.368 0.584 10 0 DCAERM C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000159674608 291236166 /nfs/dbraw/zinc/23/61/66/291236166.db2.gz CNOLJYYXJAHSGL-AAEUAGOBSA-N -1 0 309.347 0.875 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164881677 291248382 /nfs/dbraw/zinc/24/83/82/291248382.db2.gz MSXULKBDEHIAQV-BXKDBHETSA-N -1 0 301.368 0.948 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCc1ccsc1 ZINC000566179804 291278034 /nfs/dbraw/zinc/27/80/34/291278034.db2.gz OQZCVXFWWCXLIY-JTQLQIEISA-N -1 0 304.393 0.674 10 0 DCAERM COC(=O)[C@@H]1CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000095018728 291398781 /nfs/dbraw/zinc/39/87/81/291398781.db2.gz MEBJOQJNFPYTDQ-GHMZBOCLSA-N -1 0 300.355 0.938 10 0 DCAERM O=C([O-])CNC(=O)C[C@H]1SC(=O)N(c2ccccc2)C1=O ZINC000016905513 182064614 /nfs/dbraw/zinc/06/46/14/182064614.db2.gz YVBBNMRNXBBDSI-SECBINFHSA-N -1 0 308.315 0.846 10 0 DCAERM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1O ZINC000019766919 182144779 /nfs/dbraw/zinc/14/47/79/182144779.db2.gz UHMFMSPCJAOOAP-NSHDSACASA-N -1 0 320.301 0.055 10 0 DCAERM NC(=O)C[C@H](NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000020305095 182204965 /nfs/dbraw/zinc/20/49/65/182204965.db2.gz RFEXVJCPPBGPAA-VIFPVBQESA-N -1 0 302.689 0.466 10 0 DCAERM CCN(CCC(=O)[O-])C(=O)[C@H](CC(C)C)NS(C)(=O)=O ZINC000038022264 182968112 /nfs/dbraw/zinc/96/81/12/182968112.db2.gz CZWMOBDJKDSQNO-JTQLQIEISA-N -1 0 308.400 0.274 10 0 DCAERM C[C@@H]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)[C@H]1C(=O)[O-] ZINC000261606365 296381378 /nfs/dbraw/zinc/38/13/78/296381378.db2.gz AJJDQTADWFSUHY-QMTHXVAHSA-N -1 0 320.345 0.876 10 0 DCAERM O=C([O-])c1cncc(N2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)n1 ZINC000072475153 304279462 /nfs/dbraw/zinc/27/94/62/304279462.db2.gz YVYRMUDSRXQSLI-SECBINFHSA-N -1 0 306.322 0.208 10 0 DCAERM O=C([O-])[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@@H]1O ZINC000013540406 395688641 /nfs/dbraw/zinc/68/86/41/395688641.db2.gz GIRALEWNTWEAKH-YMSVYLFOSA-N -1 0 320.297 0.111 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000021013281 395691442 /nfs/dbraw/zinc/69/14/42/395691442.db2.gz VHEVUGSIZWCEFT-KWQFWETISA-N -1 0 301.320 0.002 10 0 DCAERM CCC[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000087501121 395706457 /nfs/dbraw/zinc/70/64/57/395706457.db2.gz YVVXBIUTKHUMHF-GMTAPVOTSA-N -1 0 308.400 0.431 10 0 DCAERM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccccc1F ZINC000040162408 395732767 /nfs/dbraw/zinc/73/27/67/395732767.db2.gz JREAMVNUZKULQV-SNVBAGLBSA-N -1 0 313.310 0.523 10 0 DCAERM CSCC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000036870653 395724944 /nfs/dbraw/zinc/72/49/44/395724944.db2.gz MCFIUWUOUIQIOR-BDAKNGLRSA-N -1 0 309.409 0.134 10 0 DCAERM Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000040396359 395733874 /nfs/dbraw/zinc/73/38/74/395733874.db2.gz HRRQEDQDBGQCTA-UWVGGRQHSA-N -1 0 303.311 0.343 10 0 DCAERM CN(C(=O)N1CCS(=O)(=O)CC1)c1ccccc1C(=O)[O-] ZINC000040581514 395734082 /nfs/dbraw/zinc/73/40/82/395734082.db2.gz WDHDWMLXWKCZOR-UHFFFAOYSA-N -1 0 312.347 0.671 10 0 DCAERM Cc1oc(CNC(=O)N2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC000040581711 395734388 /nfs/dbraw/zinc/73/43/88/395734388.db2.gz LFQYGKHWDQZZJZ-UHFFFAOYSA-N -1 0 316.335 0.226 10 0 DCAERM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000111440657 395808790 /nfs/dbraw/zinc/80/87/90/395808790.db2.gz KHOVRQDQWQTMTJ-DOLQZWNJSA-N -1 0 324.424 0.188 10 0 DCAERM Cc1nc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(=O)[O-])cn1C ZINC000194506618 395798174 /nfs/dbraw/zinc/79/81/74/395798174.db2.gz RBSCVKYAJADWIE-GFCCVEGCSA-N -1 0 321.358 0.933 10 0 DCAERM C[C@H](CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)CC(=O)[O-] ZINC000147316857 395966654 /nfs/dbraw/zinc/96/66/54/395966654.db2.gz FUKAKYZZGORODF-QMMMGPOBSA-N -1 0 312.347 0.570 10 0 DCAERM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000252605408 396023435 /nfs/dbraw/zinc/02/34/35/396023435.db2.gz POZXGAMWKPZAHP-DBIOUOCHSA-N -1 0 306.384 0.135 10 0 DCAERM O=c1[n-]cnc(OC[C@@H]2CCOC2)c1I ZINC000165728377 396088164 /nfs/dbraw/zinc/08/81/64/396088164.db2.gz HBTVXNXVANRNMS-ZCFIWIBFSA-N -1 0 322.102 0.790 10 0 DCAERM O=C1CCN(c2nc[n-]c(=O)c2I)CC1 ZINC000165671469 396088290 /nfs/dbraw/zinc/08/82/90/396088290.db2.gz LQDKANAQEKMRMK-UHFFFAOYSA-N -1 0 319.102 0.544 10 0 DCAERM Cc1ccc(NC(=O)CC[C@H]([NH3+])C(=O)[O-])cc1S(=O)(=O)[O-] ZINC000168932262 396090112 /nfs/dbraw/zinc/09/01/12/396090112.db2.gz LVOPAAUDJKBDBX-VIFPVBQESA-N -1 0 316.335 0.372 10 0 DCAERM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cn1cnnn1 ZINC000262439453 396140414 /nfs/dbraw/zinc/14/04/14/396140414.db2.gz UKKBJDFIHUCVFF-UHFFFAOYSA-N -1 0 305.294 0.797 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)C1 ZINC000263188336 396205271 /nfs/dbraw/zinc/20/52/71/396205271.db2.gz XMIUBUKAQBCXTG-GHMZBOCLSA-N -1 0 314.382 0.629 10 0 DCAERM COCCN1CCCN(C(=O)c2ccc(F)cc2[O-])CC1=O ZINC000189313075 396393568 /nfs/dbraw/zinc/39/35/68/396393568.db2.gz JDPJXJPLRNBWLP-UHFFFAOYSA-N -1 0 310.325 0.852 10 0 DCAERM COC(=O)CCCS(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596025861 396709188 /nfs/dbraw/zinc/70/91/88/396709188.db2.gz CKTGIEBGPSOOGF-JTQLQIEISA-N -1 0 307.368 0.360 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CC(C)(C)[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000630425897 397017311 /nfs/dbraw/zinc/01/73/11/397017311.db2.gz TYHJBFZMYBHMHL-KXUCPTDWSA-N -1 0 306.384 0.135 10 0 DCAERM O=C([O-])[C@@]1(CNS(=O)(=O)c2ccsc2)CCCOC1 ZINC000630431693 397019351 /nfs/dbraw/zinc/01/93/51/397019351.db2.gz HDZRUSGWEGPXNV-LLVKDONJSA-N -1 0 305.377 0.908 10 0 DCAERM C[C@@H]1CCSCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000385309293 397283796 /nfs/dbraw/zinc/28/37/96/397283796.db2.gz USPCARHABXOCDW-SSDOTTSWSA-N -1 0 305.381 0.624 10 0 DCAERM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cnn1C ZINC000391691642 397306130 /nfs/dbraw/zinc/30/61/30/397306130.db2.gz JMYFUXBDWAYWSW-SSDOTTSWSA-N -1 0 309.775 0.995 10 0 DCAERM CC(C)C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000094706374 158122850 /nfs/dbraw/zinc/12/28/50/158122850.db2.gz XLRDCRKFRVACMA-NEPJUHHUSA-N -1 0 301.387 0.363 10 0 DCAERM CCc1oc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000261599149 158721315 /nfs/dbraw/zinc/72/13/15/158721315.db2.gz AVKGTAYMJDUWMA-SSDOTTSWSA-N -1 0 301.320 0.457 10 0 DCAERM CCO[C@@H](C(=O)NCc1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC000262768850 158839249 /nfs/dbraw/zinc/83/92/49/158839249.db2.gz GYJLRZOZLZWTRM-CQSZACIVSA-N -1 0 318.333 0.757 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000263035767 158853341 /nfs/dbraw/zinc/85/33/41/158853341.db2.gz CXOGKRACRBLGDT-GXSJLCMTSA-N -1 0 306.384 0.170 10 0 DCAERM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](OC)C(=O)[O-])C1 ZINC000263080519 158855744 /nfs/dbraw/zinc/85/57/44/158855744.db2.gz LFUIGPWHJAXDRW-SDDRHHMPSA-N -1 0 314.382 0.487 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)C1 ZINC000263188339 158860385 /nfs/dbraw/zinc/86/03/85/158860385.db2.gz XMIUBUKAQBCXTG-WDEREUQCSA-N -1 0 314.382 0.629 10 0 DCAERM CN1C[C@@H](C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)CC1=O ZINC000263187562 158860952 /nfs/dbraw/zinc/86/09/52/158860952.db2.gz MEJWHWDQIVEXHU-IHRRRGAJSA-N -1 0 316.357 0.792 10 0 DCAERM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263282881 158868750 /nfs/dbraw/zinc/86/87/50/158868750.db2.gz XPQGVHNETAZZOB-GXSJLCMTSA-N -1 0 308.334 0.574 10 0 DCAERM CCN1C[C@@H](NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000263342265 158874017 /nfs/dbraw/zinc/87/40/17/158874017.db2.gz FQGSGGSGNYSBIA-ZIBATOQPSA-N -1 0 309.366 0.504 10 0 DCAERM C[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000263565044 158888150 /nfs/dbraw/zinc/88/81/50/158888150.db2.gz VGXISRITHMUTAT-GHMZBOCLSA-N -1 0 307.350 0.848 10 0 DCAERM C[C@H](C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)N1CCOCC1 ZINC000329351290 159084746 /nfs/dbraw/zinc/08/47/46/159084746.db2.gz UDKNVQMMAATAMQ-SNVBAGLBSA-N -1 0 318.337 0.027 10 0 DCAERM Cc1noc(COCC(=O)N2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)n1 ZINC000366947255 159299728 /nfs/dbraw/zinc/29/97/28/159299728.db2.gz WJUSSAFROHSJLS-QMTHXVAHSA-N -1 0 309.322 0.608 10 0 DCAERM O=c1[n-]c(C2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)n[nH]1 ZINC000368396400 159391819 /nfs/dbraw/zinc/39/18/19/159391819.db2.gz CIIPCLUSGCURRK-SECBINFHSA-N -1 0 324.303 0.630 10 0 DCAERM C[C@H]1CN(C)CCN1C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000408114005 160039133 /nfs/dbraw/zinc/03/91/33/160039133.db2.gz VFILZAHKASXBKJ-NSHDSACASA-N -1 0 311.407 0.834 10 0 DCAERM CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408146478 160047814 /nfs/dbraw/zinc/04/78/14/160047814.db2.gz PGYQDHHXYXWBCB-MNOVXSKESA-N -1 0 315.395 0.739 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000408193459 160056601 /nfs/dbraw/zinc/05/66/01/160056601.db2.gz CLWZUCZXBLSGSR-SSDOTTSWSA-N -1 0 324.811 0.537 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000408193851 160056768 /nfs/dbraw/zinc/05/67/68/160056768.db2.gz FMZGTNREWSKNDD-CQSZACIVSA-N -1 0 324.402 0.311 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)s1 ZINC000408193712 160056926 /nfs/dbraw/zinc/05/69/26/160056926.db2.gz UKGIKSJXNQEUPE-SECBINFHSA-N -1 0 304.393 0.192 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@@H]1CCCOCC1 ZINC000408253661 160069769 /nfs/dbraw/zinc/06/97/69/160069769.db2.gz IXFJQIVIWHLJTF-VXGBXAGGSA-N -1 0 305.396 0.676 10 0 DCAERM Cn1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c1=O ZINC000408380109 160095793 /nfs/dbraw/zinc/09/57/93/160095793.db2.gz SZUYGHVYWSECFS-SNVBAGLBSA-N -1 0 314.363 0.014 10 0 DCAERM CC(C)[C@H]1CCO[C@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408446945 160110278 /nfs/dbraw/zinc/11/02/78/160110278.db2.gz SXIXSAHADZWIAF-MWLCHTKSSA-N -1 0 301.368 0.286 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)nnn1C(C)C ZINC000408480344 160117971 /nfs/dbraw/zinc/11/79/71/160117971.db2.gz HKRGQADUENUTDF-JTQLQIEISA-N -1 0 316.383 0.406 10 0 DCAERM CO[C@]1(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCOC1 ZINC000408500203 160119747 /nfs/dbraw/zinc/11/97/47/160119747.db2.gz PLKZSAAPHXEYLE-LSCVPOLPSA-N -1 0 303.380 0.427 10 0 DCAERM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cccnn3)c2C1 ZINC000408499990 160119754 /nfs/dbraw/zinc/11/97/54/160119754.db2.gz NYHIGJGPVUSHAV-VIFPVBQESA-N -1 0 321.362 0.374 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000408501131 160120355 /nfs/dbraw/zinc/12/03/55/160120355.db2.gz QPKPBMNUCHVFQJ-ZDUSSCGKSA-N -1 0 318.439 0.733 10 0 DCAERM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cnccn3)c2C1 ZINC000408504523 160120405 /nfs/dbraw/zinc/12/04/05/160120405.db2.gz YJFQRXXHRBDQPB-VIFPVBQESA-N -1 0 321.362 0.374 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C[C@H]1F ZINC000408501756 160120515 /nfs/dbraw/zinc/12/05/15/160120515.db2.gz RDJQAECATICQDG-LDYMZIIASA-N -1 0 303.315 0.219 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000262853085 298368302 /nfs/dbraw/zinc/36/83/02/298368302.db2.gz CBCGIOQTDDEMKS-SCZZXKLOSA-N -1 0 308.400 0.320 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@@H](C)[C@H](C(=O)[O-])C(C)C)c1 ZINC000399718696 287231087 /nfs/dbraw/zinc/23/10/87/287231087.db2.gz HLRYZKICUBBEMU-GXSJLCMTSA-N -1 0 303.384 0.927 10 0 DCAERM COCCN(CCOC)C(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070572373 415404686 /nfs/dbraw/zinc/40/46/86/415404686.db2.gz XWQBFNXHDNBLBJ-NWDGAFQWSA-N -1 0 302.371 0.934 10 0 DCAERM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccnc2)cn1C ZINC000089266019 415523069 /nfs/dbraw/zinc/52/30/69/415523069.db2.gz CAIKUSVOIMUJJK-UHFFFAOYSA-N -1 0 308.363 0.923 10 0 DCAERM CC1CCN(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)CC1 ZINC000090932982 415530536 /nfs/dbraw/zinc/53/05/36/415530536.db2.gz TXYITZFZCVGIHS-UHFFFAOYSA-N -1 0 319.408 0.908 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000125336458 415864934 /nfs/dbraw/zinc/86/49/34/415864934.db2.gz XQYNWJFBILHLMZ-STQMWFEESA-N -1 0 318.439 0.876 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])no1 ZINC000300301073 416073332 /nfs/dbraw/zinc/07/33/32/416073332.db2.gz WUWMDTTZBZNPHT-KWQFWETISA-N -1 0 302.352 0.998 10 0 DCAERM COc1ccc2c(c1)C[C@@H](C(=O)NC1(c3nnn[n-]3)CC1)CO2 ZINC000357061999 416026478 /nfs/dbraw/zinc/02/64/78/416026478.db2.gz WUKHMUIYYLJNHJ-SNVBAGLBSA-N -1 0 315.333 0.565 10 0 DCAERM C[C@H](NC(=O)c1ccccc1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357051577 416026516 /nfs/dbraw/zinc/02/65/16/416026516.db2.gz JDVYBEJRUSUREV-VIFPVBQESA-N -1 0 300.322 0.124 10 0 DCAERM CC(C)[C@@H](NC(=O)NC(C)(C)C)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357062124 416028280 /nfs/dbraw/zinc/02/82/80/416028280.db2.gz VWLOGXLQERGBLW-SECBINFHSA-N -1 0 323.401 0.427 10 0 DCAERM O=C(C[C@H]1Oc2ccccc2NC1=O)NC1(c2nnn[n-]2)CC1 ZINC000357072732 416029887 /nfs/dbraw/zinc/02/98/87/416029887.db2.gz MRLQGBIIIUKYHJ-SNVBAGLBSA-N -1 0 314.305 0.095 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccc2c(c1)OCCCO2 ZINC000357071965 416031136 /nfs/dbraw/zinc/03/11/36/416031136.db2.gz GMVJHLZEXWFURV-UHFFFAOYSA-N -1 0 301.306 0.780 10 0 DCAERM CNC(=O)[C@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(C)C ZINC000178923996 416177698 /nfs/dbraw/zinc/17/76/98/416177698.db2.gz XGYVSONXNUWXHK-GFCCVEGCSA-N -1 0 316.427 0.588 10 0 DCAERM O=C([O-])CNC(=O)CN1CCC[C@H](COc2ccccc2)C1 ZINC000360991951 416418656 /nfs/dbraw/zinc/41/86/56/416418656.db2.gz XTZXLNRZLCHRLH-ZDUSSCGKSA-N -1 0 306.362 0.978 10 0 DCAERM CCOC(=O)c1nnsc1NC(=O)COc1cnn(C)c1 ZINC000443492983 416764331 /nfs/dbraw/zinc/76/43/31/416764331.db2.gz VQNSNWWXZNPMHR-UHFFFAOYSA-N -1 0 311.323 0.466 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)C2=Cc3ccccc3OC2)n[n-]1 ZINC000444458249 416843504 /nfs/dbraw/zinc/84/35/04/416843504.db2.gz MCAHCADCTFQWEE-UHFFFAOYSA-N -1 0 320.330 0.623 10 0 DCAERM CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000632200776 416956022 /nfs/dbraw/zinc/95/60/22/416956022.db2.gz LKJYJALFHSJGQC-LLVKDONJSA-N -1 0 317.338 0.900 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1nscc1Br ZINC000404718530 417119982 /nfs/dbraw/zinc/11/99/82/417119982.db2.gz SBAMVOHCEDIENS-UHFFFAOYSA-N -1 0 319.140 0.554 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000408475456 417164430 /nfs/dbraw/zinc/16/44/30/417164430.db2.gz FCSAFYDYNKCELE-ULKQDVFKSA-N -1 0 301.364 0.227 10 0 DCAERM CC(=O)N1CC(C(=O)N=c2nc(C3CCOCC3)[n-]s2)C1 ZINC000629103780 417743462 /nfs/dbraw/zinc/74/34/62/417743462.db2.gz FFRFUDJBJQFNCG-UHFFFAOYSA-N -1 0 310.379 0.271 10 0 DCAERM CO[C@@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000223843394 261153118 /nfs/dbraw/zinc/15/31/18/261153118.db2.gz MLYSHFUQSGQFDV-QMMMGPOBSA-N -1 0 303.336 0.712 10 0 DCAERM CC(C)(CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000357168789 261511443 /nfs/dbraw/zinc/51/14/43/261511443.db2.gz NGKVGTUXMKAEKS-LLVKDONJSA-N -1 0 312.366 0.383 10 0 DCAERM CO[C@H]1CCC[C@@H](CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000359374032 261741658 /nfs/dbraw/zinc/74/16/58/261741658.db2.gz VVFFVSADWYFBEG-BDAKNGLRSA-N -1 0 316.383 0.742 10 0 DCAERM CC(=O)c1cc(C(=O)NCCc2nc(=O)o[n-]2)c(C)nc1C ZINC000447628626 271794793 /nfs/dbraw/zinc/79/47/93/271794793.db2.gz GVSLXZWBFVDZFB-UHFFFAOYSA-N -1 0 304.306 0.550 10 0 DCAERM CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000448991100 271838028 /nfs/dbraw/zinc/83/80/28/271838028.db2.gz JLRFGHLBHGHTON-BDAKNGLRSA-N -1 0 314.363 0.434 10 0 DCAERM CCCN(CCC)S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000539191919 287889080 /nfs/dbraw/zinc/88/90/80/287889080.db2.gz HMTNACGBMFJIPM-UHFFFAOYSA-N -1 0 304.372 0.897 10 0 DCAERM Cc1nc(CNS(=O)(=O)N2CCC[C@H]2C)sc1C(=O)[O-] ZINC000547557077 288057876 /nfs/dbraw/zinc/05/78/76/288057876.db2.gz IGFXNYLYUAEMGT-SSDOTTSWSA-N -1 0 319.408 0.968 10 0 DCAERM CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N1CCC[C@@H]1C ZINC000548230393 288123075 /nfs/dbraw/zinc/12/30/75/288123075.db2.gz VUFHXDGSLABPNB-NEPJUHHUSA-N -1 0 322.427 0.775 10 0 DCAERM CC(C)[C@@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408487754 280093718 /nfs/dbraw/zinc/09/37/18/280093718.db2.gz WSZOIGRDLZEPIJ-SRVKXCTJSA-N -1 0 305.396 0.673 10 0 DCAERM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCN(C)C(=O)C1 ZINC000194564336 280291757 /nfs/dbraw/zinc/29/17/57/280291757.db2.gz UJVFFQDOFYWNAC-JTQLQIEISA-N -1 0 323.315 0.380 10 0 DCAERM C[C@@H]1CN2CCCC[C@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC000261754346 297091280 /nfs/dbraw/zinc/09/12/80/297091280.db2.gz NEPXLFIXMRYILJ-NEPJUHHUSA-N -1 0 304.412 0.044 10 0 DCAERM C[C@@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)CS2 ZINC000097052999 297933951 /nfs/dbraw/zinc/93/39/51/297933951.db2.gz QTSUKCRLAKMFQT-AEISUSGSSA-N -1 0 312.391 0.810 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])no1 ZINC000300301072 301279574 /nfs/dbraw/zinc/27/95/74/301279574.db2.gz WUWMDTTZBZNPHT-KCJUWKMLSA-N -1 0 302.352 0.998 10 0 DCAERM Cc1scc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1C ZINC000333608655 302884777 /nfs/dbraw/zinc/88/47/77/302884777.db2.gz RPYFYRNKWLGTGL-SECBINFHSA-N -1 0 322.346 0.771 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@@]2(CC)C(=O)[O-])c1 ZINC000215522357 332256545 /nfs/dbraw/zinc/25/65/45/332256545.db2.gz ZIFFIBUIIULJDK-LBPRGKRZSA-N -1 0 301.368 0.921 10 0 DCAERM CCN1C[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2)CC1=O ZINC000236907157 521725974 /nfs/dbraw/zinc/72/59/74/521725974.db2.gz CXXLDYMOCQWXLK-ZDUSSCGKSA-N -1 0 304.346 0.968 10 0 DCAERM CO[C@]1(CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])CCOC1 ZINC000160999867 521771520 /nfs/dbraw/zinc/77/15/20/521771520.db2.gz MOOYJWRMMVOOEG-FZMZJTMJSA-N -1 0 302.371 0.838 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO ZINC000163184371 522395693 /nfs/dbraw/zinc/39/56/93/522395693.db2.gz SQICBKJRJGMSQY-BQBZGAKWSA-N -1 0 308.381 0.225 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000263098174 522533679 /nfs/dbraw/zinc/53/36/79/522533679.db2.gz TYZBFTMKMAEHCO-MRXNPFEDSA-N -1 0 321.329 0.908 10 0 DCAERM CN(C)C(=O)CN(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000153471937 523985114 /nfs/dbraw/zinc/98/51/14/523985114.db2.gz QUWZXMBEQTVBCL-UHFFFAOYSA-N -1 0 320.324 0.877 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)Cn1c2ccccc2n(C)c1=O ZINC000237510139 524443610 /nfs/dbraw/zinc/44/36/10/524443610.db2.gz MJZAAPSEQWMVAC-JTQLQIEISA-N -1 0 305.334 0.710 10 0 DCAERM Cc1cccc(S([O-])=CC(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000157096594 524909707 /nfs/dbraw/zinc/90/97/07/524909707.db2.gz LMUDFEPPPQBILC-LAJNKCICSA-N -1 0 308.403 0.827 10 0 DCAERM Cc1c(C(=O)[O-])sc2ncn(CCN3CCOCC3)c(=O)c12 ZINC000031892650 525667500 /nfs/dbraw/zinc/66/75/00/525667500.db2.gz NLCLQQHBBDAUDD-UHFFFAOYSA-N -1 0 323.374 0.797 10 0 DCAERM Cc1oc2ncn(CCN3CCOCC3)c(=O)c2c1C(=O)[O-] ZINC000031892706 526794303 /nfs/dbraw/zinc/79/43/03/526794303.db2.gz WGUVWLJAAOONHD-UHFFFAOYSA-N -1 0 307.306 0.328 10 0 DCAERM C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000149331105 545811227 /nfs/dbraw/zinc/81/12/27/545811227.db2.gz QWBQRPVSXNXZHG-JOYOIKCWSA-N -1 0 315.347 0.606 10 0 DCAERM NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000675056435 547659282 /nfs/dbraw/zinc/65/92/82/547659282.db2.gz QEWNIPVGXYUODO-NEPJUHHUSA-N -1 0 306.318 0.974 10 0 DCAERM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N=S1(=O)CCNCC1 ZINC000725261026 548749098 /nfs/dbraw/zinc/74/90/98/548749098.db2.gz GSETYXGSYJRXMD-UHFFFAOYSA-N -1 0 322.364 0.046 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000722334265 660847640 /nfs/dbraw/zinc/84/76/40/660847640.db2.gz PKXRJLDTBCLKRS-WDEREUQCSA-N -1 0 306.384 0.185 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000176832470 658060649 /nfs/dbraw/zinc/06/06/49/658060649.db2.gz QPPHQCBOBZALJN-STQMWFEESA-N -1 0 316.423 0.896 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCS(=O)(=O)C2)C1 ZINC000757184522 658644372 /nfs/dbraw/zinc/64/43/72/658644372.db2.gz LAYNSDHZPKDYTO-ZANVPECISA-N -1 0 319.379 0.743 10 0 DCAERM CNC(=O)[C@H]1CCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000193974044 659471820 /nfs/dbraw/zinc/47/18/20/659471820.db2.gz NRSGZTGTLZSUBY-BDAKNGLRSA-N -1 0 323.315 0.427 10 0 DCAERM CC(C)C[C@H](CNC(=O)NCc1ccc(C(N)=O)o1)C(=O)[O-] ZINC000263018841 662616458 /nfs/dbraw/zinc/61/64/58/662616458.db2.gz DQYJPHMPXSIMJC-SECBINFHSA-N -1 0 311.338 0.925 10 0 DCAERM COC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000228306856 664555235 /nfs/dbraw/zinc/55/52/35/664555235.db2.gz QNPZEUKUEBFUPK-VIFPVBQESA-N -1 0 300.336 0.511 10 0 DCAERM O=C(c1n[n-]c2ccccc2c1=O)N1CCO[C@]2(CCOC2)C1 ZINC000186090979 666676339 /nfs/dbraw/zinc/67/63/39/666676339.db2.gz OCZGOYJDQOKSDD-MRXNPFEDSA-N -1 0 315.329 0.555 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000701745038 666872198 /nfs/dbraw/zinc/87/21/98/666872198.db2.gz RWJGMTBHKYLPIM-GMXVVIOVSA-N -1 0 302.396 0.950 10 0 DCAERM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000120814331 667356176 /nfs/dbraw/zinc/35/61/76/667356176.db2.gz GBEAMYWRXDOUBY-UHFFFAOYSA-N -1 0 313.379 0.516 10 0 DCAERM COCC1(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC000706393887 667411808 /nfs/dbraw/zinc/41/18/08/667411808.db2.gz VDOMLYMXXBWTDN-UHFFFAOYSA-N -1 0 300.336 0.579 10 0 DCAERM C[C@@]1(C(=O)[O-])CN(c2ncccc2S(C)(=O)=O)CCO1 ZINC000711516208 667483972 /nfs/dbraw/zinc/48/39/72/667483972.db2.gz AOLNXDLEONMYNW-LBPRGKRZSA-N -1 0 300.336 0.165 10 0 DCAERM CN(C)c1ncc([N-]S(=O)(=O)c2ncn(C)c2Cl)cn1 ZINC000134005724 667503308 /nfs/dbraw/zinc/50/33/08/667503308.db2.gz AAFWDUFNFMDLKG-UHFFFAOYSA-N -1 0 316.774 0.730 10 0 DCAERM O=C([O-])[C@]1(N2CCN(Cc3nc(C4CC4)no3)CC2)CCOC1 ZINC000886071949 667728439 /nfs/dbraw/zinc/72/84/39/667728439.db2.gz RTJSVJGOLXNZOW-HNNXBMFYSA-N -1 0 322.365 0.308 10 0 DCAERM Cc1ccoc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886096560 667731722 /nfs/dbraw/zinc/73/17/22/667731722.db2.gz CULLOUYEXOMADX-HNNXBMFYSA-N -1 0 308.334 0.590 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCO[C@@H]1C ZINC000192187099 670136403 /nfs/dbraw/zinc/13/64/03/670136403.db2.gz UREOQBRBLHVBJB-MNOVXSKESA-N -1 0 315.395 0.657 10 0 DCAERM CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000192428467 670163480 /nfs/dbraw/zinc/16/34/80/670163480.db2.gz OPGLVZXSSIYEHT-UHFFFAOYSA-N -1 0 324.318 0.930 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])C(=O)c1cc(Cl)cn1C ZINC000715778851 670221658 /nfs/dbraw/zinc/22/16/58/670221658.db2.gz LKNOBPPBPIKILD-UHFFFAOYSA-N -1 0 302.714 0.768 10 0 DCAERM Cn1cc(S(=O)(=O)[N-]C(=O)c2n[nH]c3c2CCCC3)cn1 ZINC000194018181 670388092 /nfs/dbraw/zinc/38/80/92/670388092.db2.gz MAIOFAXRARIQDG-UHFFFAOYSA-N -1 0 309.351 0.141 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1ccnc(Br)c1 ZINC000392283547 685262649 /nfs/dbraw/zinc/26/26/49/685262649.db2.gz JKUNVYMILPPDBQ-UHFFFAOYSA-N -1 0 313.111 0.493 10 0 DCAERM CN(CC1=CCCOC1)S(=O)(=O)c1occc1C(=O)[O-] ZINC000723210378 685319806 /nfs/dbraw/zinc/31/98/06/685319806.db2.gz FDTJTYMIOIYUMY-UHFFFAOYSA-N -1 0 301.320 0.945 10 0 DCAERM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)Cc3ccon3)c2n1 ZINC000177703716 685147792 /nfs/dbraw/zinc/14/77/92/685147792.db2.gz UPDXEMFJKIGAOH-UHFFFAOYSA-N -1 0 321.318 0.286 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000262075945 1185160506 /nfs/dbraw/zinc/16/05/06/1185160506.db2.gz ADLVUEPEIOHQLS-GAJTVXKRSA-N -1 0 323.393 0.916 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3nccnc3c2)C1 ZINC000261970296 1185160991 /nfs/dbraw/zinc/16/09/91/1185160991.db2.gz PZPHNNYNPUUMBZ-GXFFZTMASA-N -1 0 301.302 0.944 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000262220476 1185163807 /nfs/dbraw/zinc/16/38/07/1185163807.db2.gz ZRMYDYBLXPVRPZ-KOLCDFICSA-N -1 0 319.379 0.044 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc(NC(N)=O)c2)C1 ZINC000262219291 1185164092 /nfs/dbraw/zinc/16/40/92/1185164092.db2.gz ZLYJWDVBSUIVHH-MNOVXSKESA-N -1 0 307.306 0.491 10 0 DCAERM COC[C@H](NC(=O)c1ccnc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000263059260 1185175505 /nfs/dbraw/zinc/17/55/05/1185175505.db2.gz SNFLGLWSVOHNLY-QMMMGPOBSA-N -1 0 322.239 0.852 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CNC(=O)NCc1ccco1 ZINC000263312269 1185178829 /nfs/dbraw/zinc/17/88/29/1185178829.db2.gz IDTDPNAPASPFEU-ZYHUDNBSSA-N -1 0 323.349 0.791 10 0 DCAERM CN([C@H](CO)C(C)(C)C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689339139 954656644 /nfs/dbraw/zinc/65/66/44/954656644.db2.gz YDWLTJRSLDQLCU-VHSXEESVSA-N -1 0 308.400 0.119 10 0 DCAERM O=C([O-])CN1CC[C@H](S(=O)(=O)c2ccccc2Cl)C1=O ZINC000694898228 954799000 /nfs/dbraw/zinc/79/90/00/954799000.db2.gz JNZMZGCJPLAYTK-JTQLQIEISA-N -1 0 317.750 0.799 10 0 DCAERM C[C@H](CNC(=O)Nc1cccnc1C(=O)[O-])S(C)(=O)=O ZINC000697578698 954826832 /nfs/dbraw/zinc/82/68/32/954826832.db2.gz CAWZKPHRDJWAEI-SSDOTTSWSA-N -1 0 301.324 0.334 10 0 DCAERM CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(C(=O)[O-])s1 ZINC000699962186 968977229 /nfs/dbraw/zinc/97/72/29/968977229.db2.gz XMVWZAHAOPGKQH-RKDXNWHRSA-N -1 0 305.377 0.348 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC000687072713 976131177 /nfs/dbraw/zinc/13/11/77/976131177.db2.gz TZCANCINOCHYCW-LBPRGKRZSA-N -1 0 301.368 0.825 10 0 DCAERM CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000689310372 976248152 /nfs/dbraw/zinc/24/81/52/976248152.db2.gz LVUDWKOJTWQLRQ-QMMMGPOBSA-N -1 0 305.356 0.135 10 0 DCAERM CC(C)S(=O)(=O)CCNC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693030539 976572415 /nfs/dbraw/zinc/57/24/15/976572415.db2.gz PIESPPTVDXTGRN-AOOOYVTPSA-N -1 0 306.384 0.314 10 0 DCAERM Cn1ncc(Br)c1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000693052250 976582743 /nfs/dbraw/zinc/58/27/43/976582743.db2.gz NNLLEMLRHCYHNH-ZETCQYMHSA-N -1 0 302.128 0.872 10 0 DCAERM Cn1ncc(Br)c1C(=O)NC1CC(C(=O)[O-])C1 ZINC000693373339 976607689 /nfs/dbraw/zinc/60/76/89/976607689.db2.gz GLMRSSOGWZWYMA-UHFFFAOYSA-N -1 0 302.128 0.776 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NCC2CCC(O)CC2)c1 ZINC000694182220 976676548 /nfs/dbraw/zinc/67/65/48/976676548.db2.gz BVMMEOIKXSAQND-UHFFFAOYSA-N -1 0 303.336 0.807 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)c1 ZINC000694183878 976677971 /nfs/dbraw/zinc/67/79/71/976677971.db2.gz SDZBNMISMJZYPT-WPRPVWTQSA-N -1 0 303.336 0.807 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C[C@@]1(C)CO ZINC000694664509 976708378 /nfs/dbraw/zinc/70/83/78/976708378.db2.gz BQEHEWASEDGHGZ-UFBFGSQYSA-N -1 0 303.336 0.617 10 0 DCAERM C[C@@H]1[C@H](NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCS1(=O)=O ZINC000694950930 976753942 /nfs/dbraw/zinc/75/39/42/976753942.db2.gz AUJMAIDALWKCFX-FKTZTGRPSA-N -1 0 302.352 0.035 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)N1CCO[C@H](C2CC2)C1 ZINC000695343831 976793952 /nfs/dbraw/zinc/79/39/52/976793952.db2.gz OEINWWQTHFYAEV-QMMMGPOBSA-N -1 0 318.376 0.641 10 0 DCAERM O=C([O-])[C@@H]1COCCN1C(=O)c1ncsc1Br ZINC000698548522 976892097 /nfs/dbraw/zinc/89/20/97/976892097.db2.gz BEKTWFVMKLFFSS-YFKPBYRVSA-N -1 0 321.152 0.831 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000278712938 214345865 /nfs/dbraw/zinc/34/58/65/214345865.db2.gz OFPXMEQIZUQDPC-APPZFPTMSA-N -1 0 304.324 0.154 10 0 DCAERM CCc1nnc([C@H]2CN(C(=O)c3cncc(O)c3)CCO2)[nH]1 ZINC000173756713 198248519 /nfs/dbraw/zinc/24/85/19/198248519.db2.gz NBSBFYAPKYEOPH-LLVKDONJSA-N -1 0 303.322 0.681 10 0 DCAERM CSCC[C@@H](NC=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000003874401 181051184 /nfs/dbraw/zinc/05/11/84/181051184.db2.gz VZQJQFGSAAGNSI-CHWSQXEVSA-N -1 0 324.402 0.666 10 0 in-vitro DCAERM O=C(N[C@@H]1CCc2ncnn2C1)c1nn(-c2ccccc2)cc1[O-] ZINC000173549069 303896519 /nfs/dbraw/zinc/89/65/19/303896519.db2.gz GZQSYJOEGSQDPY-LLVKDONJSA-N -1 0 324.344 0.914 10 0 DCAERM CC(=O)Nc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000085344870 192492299 /nfs/dbraw/zinc/49/22/99/192492299.db2.gz BSYFVVQQZPMOAB-GFCCVEGCSA-N -1 0 312.347 0.883 10 0 DCAERM O=C([O-])CC1(CNC(=O)N2CCS(=O)(=O)CC2)CCC1 ZINC000165043772 291248342 /nfs/dbraw/zinc/24/83/42/291248342.db2.gz FUJWWPJRSVIZRU-UHFFFAOYSA-N -1 0 304.368 0.071 10 0 DCAERM Cc1nn(C)c2nc(C)c(C(=O)NC3(c4nnn[n-]4)CC3)cc12 ZINC000357081868 239023584 /nfs/dbraw/zinc/02/35/84/239023584.db2.gz WRSDVHCFVNNGCY-UHFFFAOYSA-N -1 0 312.337 0.517 10 0 DCAERM CN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000495567836 241218411 /nfs/dbraw/zinc/21/84/11/241218411.db2.gz YKFTYKWPVVMDIY-VIFPVBQESA-N -1 0 301.343 0.674 10 0 DCAERM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000282587603 217109608 /nfs/dbraw/zinc/10/96/08/217109608.db2.gz PUYBEPDJHOUAIB-GMSGAONNSA-N -1 0 304.318 0.910 10 0 DCAERM CS(=O)(=O)CC[C@H](NC(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000019231111 182109727 /nfs/dbraw/zinc/10/97/27/182109727.db2.gz PJHWUVFNFKZQCF-VIFPVBQESA-N -1 0 321.301 0.583 10 0 DCAERM NC(=O)C[C@H](NC(=O)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000020305092 182204986 /nfs/dbraw/zinc/20/49/86/182204986.db2.gz LLHNJUGSZJOIOZ-QMMMGPOBSA-N -1 0 302.233 0.346 10 0 DCAERM NC(=O)C[C@@H](NC(=O)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000020305091 182205311 /nfs/dbraw/zinc/20/53/11/182205311.db2.gz LLHNJUGSZJOIOZ-MRVPVSSYSA-N -1 0 302.233 0.346 10 0 DCAERM COC[C@H](O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000042510274 183278672 /nfs/dbraw/zinc/27/86/72/183278672.db2.gz NDBFEZNVDLKQLS-MRVPVSSYSA-N -1 0 309.365 0.074 10 0 DCAERM CNC(=O)CN1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000066045498 184385236 /nfs/dbraw/zinc/38/52/36/184385236.db2.gz RVWGEGNLVMAJNP-UHFFFAOYSA-N -1 0 313.304 0.174 10 0 DCAERM O=C([O-])c1csc(S(=O)(=O)N2CCN(C3CC3)CC2)c1 ZINC000037838974 304282448 /nfs/dbraw/zinc/28/24/48/304282448.db2.gz VGJJVTPSISISEQ-UHFFFAOYSA-N -1 0 316.404 0.915 10 0 DCAERM CCOC(=O)CC([O-])=C[C@@](O)(C(=O)OCC)C(F)(F)F ZINC000012506012 395687813 /nfs/dbraw/zinc/68/78/13/395687813.db2.gz SRWPIDLOQORYQZ-SNVBAGLBSA-N -1 0 300.229 0.755 10 0 DCAERM CCC[C@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000040544366 395734322 /nfs/dbraw/zinc/73/43/22/395734322.db2.gz RSRVUXKDQYNXQH-JTQLQIEISA-N -1 0 315.351 0.709 10 0 DCAERM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000044618091 395757068 /nfs/dbraw/zinc/75/70/68/395757068.db2.gz HXHHTCNUQXRSKU-NSHDSACASA-N -1 0 315.347 0.957 10 0 DCAERM O=c1[nH]c(=O)n(Cc2nc(C3CC3)no2)cc1Br ZINC000111458774 395808662 /nfs/dbraw/zinc/80/86/62/395808662.db2.gz OBIHHDXBQHTLAX-UHFFFAOYSA-N -1 0 313.111 0.608 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c(C)s1 ZINC000048654441 395820967 /nfs/dbraw/zinc/82/09/67/395820967.db2.gz RRIUPLRRCILMPO-UHFFFAOYSA-N -1 0 314.392 0.848 10 0 DCAERM CC(C)(C)OC(=O)N1CCN(c2cnc(N)c(C(=O)[O-])n2)CC1 ZINC000114227924 395833118 /nfs/dbraw/zinc/83/31/18/395833118.db2.gz YYMFKKZGRLSMKQ-UHFFFAOYSA-N -1 0 323.353 0.814 10 0 DCAERM C[C@@]1(O)CCN(c2nc[n-]c(=O)c2I)C1 ZINC000235394167 395892741 /nfs/dbraw/zinc/89/27/41/395892741.db2.gz XVJROLSHJYQIDX-SECBINFHSA-N -1 0 321.118 0.336 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)c2cncc(F)c2)C(=O)[O-])cn1 ZINC000130814569 395923497 /nfs/dbraw/zinc/92/34/97/395923497.db2.gz CIOCDHHGVZQDOL-JTQLQIEISA-N -1 0 314.298 0.058 10 0 DCAERM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1c(Cl)cnn1C ZINC000227865866 395869919 /nfs/dbraw/zinc/86/99/19/395869919.db2.gz CUZBLZGKINDGSX-ZETCQYMHSA-N -1 0 309.775 0.995 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000227865672 395869992 /nfs/dbraw/zinc/86/99/92/395869992.db2.gz VVARLDMHJJBNCU-NKWVEPMBSA-N -1 0 305.743 0.381 10 0 DCAERM COCCCNC(=O)CN(C)C(=O)c1c([O-])cc(F)cc1F ZINC000132976267 395928160 /nfs/dbraw/zinc/92/81/60/395928160.db2.gz RTRHUJKHSINDGU-UHFFFAOYSA-N -1 0 316.304 0.895 10 0 DCAERM CN(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000137070649 395949952 /nfs/dbraw/zinc/94/99/52/395949952.db2.gz IFQBMHKYAXOGAQ-ZJUUUORDSA-N -1 0 320.411 0.704 10 0 DCAERM Cc1ccc(S(=O)(=O)/C=C/S(=O)(=O)CC(=O)[O-])cc1 ZINC000141519727 395958300 /nfs/dbraw/zinc/95/83/00/395958300.db2.gz CVADCSKZLZSZJP-VOTSOKGWSA-N -1 0 304.345 0.739 10 0 DCAERM COC(=O)[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H]1C ZINC000253366705 396026111 /nfs/dbraw/zinc/02/61/11/396026111.db2.gz SGKROBYYYKWMFT-RNFRBKRXSA-N -1 0 304.290 0.124 10 0 DCAERM CC(C)(C)OC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2ccncc2)[C@H]1N ZINC000257352966 396046022 /nfs/dbraw/zinc/04/60/22/396046022.db2.gz ONSFXVYQSMKKRO-IJLUTSLNSA-N -1 0 307.350 0.766 10 0 DCAERM CC1(C)CN(Cc2cc(=O)n3[n-]ccc3n2)CCS1(=O)=O ZINC000155360923 396050456 /nfs/dbraw/zinc/05/04/56/396050456.db2.gz YLBCYQSYDVRPRH-UHFFFAOYSA-N -1 0 310.379 0.032 10 0 DCAERM CN(C(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000070572195 396102968 /nfs/dbraw/zinc/10/29/68/396102968.db2.gz UKZVTCSIHLEQHX-HBNTYKKESA-N -1 0 318.395 0.458 10 0 DCAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000262975406 396195661 /nfs/dbraw/zinc/19/56/61/396195661.db2.gz JBVDFKXMPHINRW-QWRGUYRKSA-N -1 0 314.382 0.629 10 0 DCAERM CCC[C@@H](NC(=O)c1ccc2nnn(C)c2c1)c1nnn[n-]1 ZINC000183068676 396260111 /nfs/dbraw/zinc/26/01/11/396260111.db2.gz MDCANCVZMQMBBE-SNVBAGLBSA-N -1 0 300.326 0.753 10 0 DCAERM O=C([O-])CCNC(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000263338931 396214528 /nfs/dbraw/zinc/21/45/28/396214528.db2.gz DYDJGGJVTBQVDS-DOMZBBRYSA-N -1 0 310.325 0.971 10 0 DCAERM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CC(=O)N(C2CC2)C1 ZINC000184629903 396300673 /nfs/dbraw/zinc/30/06/73/396300673.db2.gz JABABWBBHYLWMS-RNFRBKRXSA-N -1 0 300.302 0.620 10 0 DCAERM CCO[C@H]1C[C@@](NC(=O)NCCCOC)(C(=O)[O-])C1(C)C ZINC000515747927 396508805 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CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000408490714 397358223 /nfs/dbraw/zinc/35/82/23/397358223.db2.gz CNLXJTUWAYZVTK-NXEZZACHSA-N -1 0 302.396 0.667 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCC(=O)NC1 ZINC000408492795 397358237 /nfs/dbraw/zinc/35/82/37/397358237.db2.gz FIFLFIBPGDXDQM-ZHPDPMBESA-N -1 0 314.407 0.537 10 0 DCAERM C[C@H](C(=O)[O-])N(C)C(=O)NCCCc1nnc2ccccn21 ZINC000578709934 397472069 /nfs/dbraw/zinc/47/20/69/397472069.db2.gz JUCQWMGOUVTBQO-SNVBAGLBSA-N -1 0 305.338 0.776 10 0 DCAERM C[C@H](CN(C)C(=O)[C@H]1CCCN1c1nccs1)c1nnn[n-]1 ZINC000124358159 158241317 /nfs/dbraw/zinc/24/13/17/158241317.db2.gz YFTZUUDZCKSLFZ-NXEZZACHSA-N -1 0 321.410 0.887 10 0 DCAERM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCC1 ZINC000164856430 158363425 /nfs/dbraw/zinc/36/34/25/158363425.db2.gz IKGGOVZYRYRORQ-ZETCQYMHSA-N -1 0 308.256 0.521 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@H]2COc3ccccc3O2)C1 ZINC000263195020 158860895 /nfs/dbraw/zinc/86/08/95/158860895.db2.gz YBCPTKPUPBFHBM-JTNHKYCSSA-N -1 0 321.329 0.917 10 0 DCAERM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263209769 158862017 /nfs/dbraw/zinc/86/20/17/158862017.db2.gz YVSAJHVRZHOJAK-GWOFURMSSA-N -1 0 319.379 0.310 10 0 DCAERM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000263340884 158873865 /nfs/dbraw/zinc/87/38/65/158873865.db2.gz RYCWMWUVPKTROU-PHIMTYICSA-N -1 0 313.313 0.826 10 0 DCAERM C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000263517206 158884829 /nfs/dbraw/zinc/88/48/29/158884829.db2.gz PEFQLTZJHNFODD-YUMQZZPRSA-N -1 0 321.786 0.947 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000263558694 158887651 /nfs/dbraw/zinc/88/76/51/158887651.db2.gz PVFLEUYQMIRRCP-UTUOFQBUSA-N -1 0 306.366 0.874 10 0 DCAERM CC1CCN(C(=O)C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)CC1 ZINC000408069460 160028320 /nfs/dbraw/zinc/02/83/20/160028320.db2.gz BMWVABUJVVSYMR-NSHDSACASA-N -1 0 321.381 0.822 10 0 DCAERM Cc1ccn(C)c1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408152913 160049343 /nfs/dbraw/zinc/04/93/43/160049343.db2.gz GIHQRAMFTDAZGE-UHFFFAOYSA-N -1 0 324.362 0.431 10 0 DCAERM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000408203858 160059371 /nfs/dbraw/zinc/05/93/71/160059371.db2.gz MLFXTFXNCHVGKE-GHMZBOCLSA-N -1 0 315.395 0.600 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)sc1C ZINC000408218920 160062490 /nfs/dbraw/zinc/06/24/90/160062490.db2.gz WCBQDQMEIIVAMM-JTQLQIEISA-N -1 0 318.420 0.500 10 0 DCAERM Cc1[nH]nc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c1C ZINC000408444775 160109242 /nfs/dbraw/zinc/10/92/42/160109242.db2.gz WBWBZDOMFZUICH-JTQLQIEISA-N -1 0 301.368 0.655 10 0 DCAERM Cc1nc(C2CC2)oc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408473547 160116579 /nfs/dbraw/zinc/11/65/79/160116579.db2.gz VKUFAZKAFXFHNJ-VIFPVBQESA-N -1 0 300.336 0.709 10 0 DCAERM CC[C@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408482718 160117943 /nfs/dbraw/zinc/11/79/43/160117943.db2.gz LECZTNKLTMUHCJ-WDEREUQCSA-N -1 0 315.395 0.739 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408505614 160120153 /nfs/dbraw/zinc/12/01/53/160120153.db2.gz XNVZUGUEZLTWPO-MNOVXSKESA-N -1 0 315.395 0.739 10 0 DCAERM CCOC[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000134700551 287017894 /nfs/dbraw/zinc/01/78/94/287017894.db2.gz QQLTULHCPGHJAL-ZETCQYMHSA-N -1 0 308.381 0.633 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000248611709 287098735 /nfs/dbraw/zinc/09/87/35/287098735.db2.gz XQYNWJFBILHLMZ-CHWSQXEVSA-N -1 0 318.439 0.876 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000006948336 415138649 /nfs/dbraw/zinc/13/86/49/415138649.db2.gz MAUQRMCZNIVQRM-UHFFFAOYSA-N -1 0 324.358 0.667 10 0 DCAERM C[C@@]1(NC(=O)c2c([O-])cc(F)cc2F)CCS(=O)(=O)C1 ZINC000049450368 415308202 /nfs/dbraw/zinc/30/82/02/415308202.db2.gz RFCOWMUNRNRIJT-GFCCVEGCSA-N -1 0 305.302 0.977 10 0 DCAERM COCCN(CCOC)C(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070572374 415406632 /nfs/dbraw/zinc/40/66/32/415406632.db2.gz XWQBFNXHDNBLBJ-RYUDHWBXSA-N -1 0 302.371 0.934 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@@](CC)(C(=O)[O-])C2)c1 ZINC000092890166 415542864 /nfs/dbraw/zinc/54/28/64/415542864.db2.gz ILFDMILSMZZKFR-GFCCVEGCSA-N -1 0 301.368 0.778 10 0 DCAERM CC[S@@](=O)c1ccccc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357059978 416027270 /nfs/dbraw/zinc/02/72/70/416027270.db2.gz UUCXRWDPCJDSGD-OAQYLSRUSA-N -1 0 305.363 0.746 10 0 DCAERM CNC(=O)[C@@H](NS(=O)(=O)c1sccc1OC)C(C)C ZINC000178929567 416177167 /nfs/dbraw/zinc/17/71/67/416177167.db2.gz WEOMZTJXKNGMEB-VIFPVBQESA-N -1 0 306.409 0.806 10 0 DCAERM COc1ccc(-n2cc([O-])c(C(=O)NC3(CO)CC3)n2)cc1 ZINC000181257259 416204019 /nfs/dbraw/zinc/20/40/19/416204019.db2.gz PJDFIUXTWLOJJD-UHFFFAOYSA-N -1 0 303.318 0.841 10 0 DCAERM CS(=O)(=O)CCCC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262257556 416336190 /nfs/dbraw/zinc/33/61/90/416336190.db2.gz QKYZSBXMAGVLPG-GXFFZTMASA-N -1 0 303.380 0.525 10 0 DCAERM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cn(C)nn1 ZINC000359467239 416347110 /nfs/dbraw/zinc/34/71/10/416347110.db2.gz LSACLSBFOWCIAL-UHFFFAOYSA-N -1 0 316.364 0.772 10 0 DCAERM Cn1nccc1S(=O)(=O)[N-]c1ccc(Cc2nn[nH]n2)cc1 ZINC000360622890 416400272 /nfs/dbraw/zinc/40/02/72/416400272.db2.gz ZROVEVXBFFSWDZ-UHFFFAOYSA-N -1 0 319.350 0.325 10 0 DCAERM O=C([O-])Cn1c(=O)oc2cc(Br)ccc2c1=O ZINC000536955182 416550881 /nfs/dbraw/zinc/55/08/81/416550881.db2.gz OVTVRLYUYIMODU-UHFFFAOYSA-N -1 0 300.064 0.802 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)c1 ZINC000584086082 416496625 /nfs/dbraw/zinc/49/66/25/416496625.db2.gz QRXFAVWUBWUTRX-BXUZGUMPSA-N -1 0 309.343 0.984 10 0 DCAERM CNC(=O)c1cc(S(=O)(=O)[N-]c2cnccc2C)cn1C ZINC000443355815 416754407 /nfs/dbraw/zinc/75/44/07/416754407.db2.gz CAYGIANIPICQMZ-UHFFFAOYSA-N -1 0 308.363 0.889 10 0 DCAERM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CC(C(=O)[O-])C3)[C@@H]2C1 ZINC000621835113 417311907 /nfs/dbraw/zinc/31/19/07/417311907.db2.gz KUJCITWSDMTXDV-UHTWSYAYSA-N -1 0 309.366 0.359 10 0 DCAERM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000530155102 417547727 /nfs/dbraw/zinc/54/77/27/417547727.db2.gz WKWLXDHVXAGGMK-CWKFCGSDSA-N -1 0 320.392 0.932 10 0 DCAERM O=C([O-])C1(CNC(=O)NC[C@H]2CCCS2(=O)=O)CCC1 ZINC000166793763 545877907 /nfs/dbraw/zinc/87/79/07/545877907.db2.gz FTZDBIRXFQUNBN-SECBINFHSA-N -1 0 304.368 0.118 10 0 DCAERM CO[C@H]1C[C@@H](CNS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000629346992 417784632 /nfs/dbraw/zinc/78/46/32/417784632.db2.gz ZVHNXYZZAVVDLJ-KNVOCYPGSA-N -1 0 306.365 0.545 10 0 DCAERM O=C(CCNC(=O)c1cccs1)NC1(c2nnn[n-]2)CC1 ZINC000357054799 271040104 /nfs/dbraw/zinc/04/01/04/271040104.db2.gz MHPFYKORBUNION-UHFFFAOYSA-N -1 0 306.351 0.187 10 0 DCAERM CCOC(=O)C1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC000555554973 288354812 /nfs/dbraw/zinc/35/48/12/288354812.db2.gz CYKBDEJCRZTJGM-VIFPVBQESA-N -1 0 308.338 0.560 10 0 DCAERM NC(=O)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000555556410 288355147 /nfs/dbraw/zinc/35/51/47/288355147.db2.gz QZLBCJMSTCLDLS-LLVKDONJSA-N -1 0 315.333 0.629 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000237113862 293862263 /nfs/dbraw/zinc/86/22/63/293862263.db2.gz ADLVUEPEIOHQLS-BHYNMZESSA-N -1 0 323.393 0.916 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000261985981 293863546 /nfs/dbraw/zinc/86/35/46/293863546.db2.gz AYKAYEKVWOIJIQ-KOLCDFICSA-N -1 0 320.301 0.332 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000037463333 293924526 /nfs/dbraw/zinc/92/45/26/293924526.db2.gz YEVSPAOCINBRLQ-WRWGMCAJSA-N -1 0 320.411 0.383 10 0 DCAERM CO[C@H](CNC(=O)c1nnn(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC000262855917 294454460 /nfs/dbraw/zinc/45/44/60/294454460.db2.gz HKYJGSTXMXSDDE-GFCCVEGCSA-N -1 0 318.333 0.714 10 0 DCAERM C[C@@H]1[C@@H](N(C)CS(=O)(=O)[O-])C(=O)N(c2ccccc2)N1C ZINC000021983527 297714659 /nfs/dbraw/zinc/71/46/59/297714659.db2.gz TVAQNNRGGZXZSK-ZYHUDNBSSA-N -1 0 313.379 0.414 10 0 DCAERM C[C@H](C(=O)[O-])N(C(=O)CCn1nc2ccccn2c1=O)C1CC1 ZINC000262666069 298201405 /nfs/dbraw/zinc/20/14/05/298201405.db2.gz VUPFQXOAWVYICN-SNVBAGLBSA-N -1 0 318.333 0.350 10 0 DCAERM Cn1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC000037463470 302919302 /nfs/dbraw/zinc/91/93/02/302919302.db2.gz UCUYWUXITDUZPQ-GFCCVEGCSA-N -1 0 307.331 0.625 10 0 DCAERM CC[C@](C)(CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000211664743 331589597 /nfs/dbraw/zinc/58/95/97/331589597.db2.gz HMEVIGNGPKZIBE-JOYOIKCWSA-N -1 0 306.384 0.316 10 0 DCAERM Cn1ccc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)n1 ZINC000576763425 341862130 /nfs/dbraw/zinc/86/21/30/341862130.db2.gz PPYDOJMPRVHXLD-SECBINFHSA-N -1 0 323.300 0.736 10 0 DCAERM COCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC000577686644 341929024 /nfs/dbraw/zinc/92/90/24/341929024.db2.gz QVSLIUVVUSKFHP-UHFFFAOYSA-N -1 0 319.335 0.327 10 0 DCAERM COCC(=O)NC1CN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000189184145 522761617 /nfs/dbraw/zinc/76/16/17/522761617.db2.gz LUXUYMYXTGPJRL-UHFFFAOYSA-N -1 0 318.251 0.397 10 0 DCAERM CCc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc1S(C)(=O)=O ZINC000262992205 523892337 /nfs/dbraw/zinc/89/23/37/523892337.db2.gz QIDKDXWDFVSTCE-JTQLQIEISA-N -1 0 317.338 0.805 10 0 DCAERM Cc1cccc(S([O-])=CC(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000157096760 524908802 /nfs/dbraw/zinc/90/88/02/524908802.db2.gz LMUDFEPPPQBILC-QKVFXAPYSA-N -1 0 308.403 0.827 10 0 DCAERM COc1cccc(CCNC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000267656716 525901292 /nfs/dbraw/zinc/90/12/92/525901292.db2.gz SFZOXOPEIVOIBD-UHFFFAOYSA-N -1 0 303.318 0.467 10 0 DCAERM NC(=O)COc1cccc(CNC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000262063347 526896017 /nfs/dbraw/zinc/89/60/17/526896017.db2.gz JGWKRZZKXYJZLR-RYUDHWBXSA-N -1 0 306.318 0.278 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000133472894 528615559 /nfs/dbraw/zinc/61/55/59/528615559.db2.gz PYJFFANZGMTSCM-VHSXEESVSA-N -1 0 301.368 0.836 10 0 DCAERM CN(C(=O)N1CCCCC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000080990925 545692183 /nfs/dbraw/zinc/69/21/83/545692183.db2.gz AXTAPFHDWUYDET-QWRGUYRKSA-N -1 0 318.395 0.555 10 0 DCAERM O=C([O-])[C@@H](CCc1ccccc1)NS(=O)(=O)c1c[nH]cn1 ZINC000159590771 545860504 /nfs/dbraw/zinc/86/05/04/545860504.db2.gz RYESZOBPLSILFM-LLVKDONJSA-N -1 0 309.347 0.774 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000159542866 545861434 /nfs/dbraw/zinc/86/14/34/545861434.db2.gz XDTWDZHXSPETSH-NOZJJQNGSA-N -1 0 309.343 0.952 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2CC(=O)[O-])C[C@H](C)O1 ZINC000245225458 545961391 /nfs/dbraw/zinc/96/13/91/545961391.db2.gz VSDOBAPDTLLQGV-TUAOUCFPSA-N -1 0 320.411 0.670 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C(=O)[O-])C1 ZINC000675058525 547658965 /nfs/dbraw/zinc/65/89/65/547658965.db2.gz JVVJJSONLLTUBZ-UFBFGSQYSA-N -1 0 305.352 0.353 10 0 DCAERM N#Cc1ccsc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000180243180 665428295 /nfs/dbraw/zinc/42/82/95/665428295.db2.gz ZSVRZNUGGDEBJS-VIFPVBQESA-N -1 0 300.361 0.858 10 0 DCAERM Cc1csc(C)c1S(=O)(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000725121336 658192496 /nfs/dbraw/zinc/19/24/96/658192496.db2.gz GHJPIJJIGPRDLB-BDAKNGLRSA-N -1 0 305.377 0.885 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000021814044 658334269 /nfs/dbraw/zinc/33/42/69/658334269.db2.gz DJCMKEQCABKVTF-QWRGUYRKSA-N -1 0 306.384 0.137 10 0 DCAERM O=C([O-])c1ccoc1S(=O)(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000723238452 658612958 /nfs/dbraw/zinc/61/29/58/658612958.db2.gz MVDPWPPAHFWLFB-BDAKNGLRSA-N -1 0 301.320 0.635 10 0 DCAERM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000194168268 659483567 /nfs/dbraw/zinc/48/35/67/659483567.db2.gz OBTDLFSKDIRHRF-SCZZXKLOSA-N -1 0 323.315 0.427 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)ccn1C ZINC000194918825 659522670 /nfs/dbraw/zinc/52/26/70/659522670.db2.gz HROMEIIATPKMDN-LLVKDONJSA-N -1 0 300.380 0.962 10 0 DCAERM Cc1nc([C@H](C)NC(=O)[C@H]2COCCO2)sc1C(=O)[O-] ZINC000262507577 662429803 /nfs/dbraw/zinc/42/98/03/662429803.db2.gz AIUZTTRFUCVQMG-JGVFFNPUSA-N -1 0 300.336 0.742 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CNC(=O)c2ccccc2)C1 ZINC000263178467 662649196 /nfs/dbraw/zinc/64/91/96/662649196.db2.gz WTPIRWVZIVLPCU-CHWSQXEVSA-N -1 0 320.345 0.507 10 0 DCAERM CCC[C@H](C)C(=O)NCCNC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263362002 662679966 /nfs/dbraw/zinc/67/99/66/662679966.db2.gz KPLGUPHNUUDJSI-QWRGUYRKSA-N -1 0 301.387 0.901 10 0 DCAERM CC(C)(C)[C@@H](NC(=O)NCCN1CCSCC1)C(=O)[O-] ZINC000227401245 664534206 /nfs/dbraw/zinc/53/42/06/664534206.db2.gz RNHUSSSIZCIFSV-JTQLQIEISA-N -1 0 303.428 0.834 10 0 DCAERM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC(CO)C1 ZINC000227254004 664530791 /nfs/dbraw/zinc/53/07/91/664530791.db2.gz ZBMBYRUFVQSIFT-UHFFFAOYSA-N -1 0 319.766 0.959 10 0 DCAERM CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000263119851 665283445 /nfs/dbraw/zinc/28/34/45/665283445.db2.gz WYQKXPHMTJSQDQ-NHCYSSNCSA-N -1 0 303.380 0.521 10 0 DCAERM O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)c1ccccn1 ZINC000734964997 666928731 /nfs/dbraw/zinc/92/87/31/666928731.db2.gz FGZPNHLSDLCKBY-UHFFFAOYSA-N -1 0 316.342 0.936 10 0 DCAERM NC(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000103512321 668121087 /nfs/dbraw/zinc/12/10/87/668121087.db2.gz XJRLMBCSHRCNKA-IQQGHNRFSA-N -1 0 312.347 0.295 10 0 DCAERM Cn1nccc1CCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000125336687 668287942 /nfs/dbraw/zinc/28/79/42/668287942.db2.gz MHYVQMWLHJMKPX-LBPRGKRZSA-N -1 0 315.395 0.368 10 0 DCAERM CN1C[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)CCC1=O ZINC000130938298 669647538 /nfs/dbraw/zinc/64/75/38/669647538.db2.gz OYJLOOFCVFMLPJ-VIFPVBQESA-N -1 0 300.318 0.274 10 0 DCAERM CC(C)(C)[C@@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-] ZINC000040560502 669821372 /nfs/dbraw/zinc/82/13/72/669821372.db2.gz YPQZLUCIEYMFIC-NSHDSACASA-N -1 0 301.387 0.507 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC000716210943 670259858 /nfs/dbraw/zinc/25/98/58/670259858.db2.gz CAOOZSPFIUSEAX-VWYCJHECSA-N -1 0 306.384 0.042 10 0 DCAERM C[C@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000190393318 670433333 /nfs/dbraw/zinc/43/33/33/670433333.db2.gz NYZBASWWRAJPIH-BDAKNGLRSA-N -1 0 302.327 0.841 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CNC(=O)C1 ZINC000195284407 670479273 /nfs/dbraw/zinc/47/92/73/670479273.db2.gz IINVFQTYPWIVFZ-ZETCQYMHSA-N -1 0 302.739 0.281 10 0 DCAERM O=C(N[C@H]1CCc2ncnn2C1)c1n[n-]c2ccccc2c1=O ZINC000112725307 670646728 /nfs/dbraw/zinc/64/67/28/670646728.db2.gz JVEUMGPHMBRBGX-VIFPVBQESA-N -1 0 310.317 0.259 10 0 DCAERM CC1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC(F)(F)C1 ZINC000720924003 685317341 /nfs/dbraw/zinc/31/73/41/685317341.db2.gz UVFKHJASEUMMKW-QMMMGPOBSA-N -1 0 312.338 0.805 10 0 DCAERM Cc1noc(C)c1CN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037838028 685054428 /nfs/dbraw/zinc/05/44/28/685054428.db2.gz BWNIMAFXZTXCNV-UHFFFAOYSA-N -1 0 314.323 0.533 10 0 DCAERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC000380259436 685236655 /nfs/dbraw/zinc/23/66/55/685236655.db2.gz RTVASTNSTMZSDN-IHWYPQMZSA-N -1 0 300.292 0.822 10 0 DCAERM Cc1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1F ZINC000386455146 685248914 /nfs/dbraw/zinc/24/89/14/685248914.db2.gz MMZTVKUNHLAQFE-LBPRGKRZSA-N -1 0 303.311 0.344 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1O ZINC000387873840 1158950587 /nfs/dbraw/zinc/95/05/87/1158950587.db2.gz KNUJPEOBTXXXNP-CPCISQLKSA-N -1 0 302.308 0.302 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)C1 ZINC000036979705 1171435418 /nfs/dbraw/zinc/43/54/18/1171435418.db2.gz YGVIUKRWCBNYDV-ZJUUUORDSA-N -1 0 300.355 0.239 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000237250652 1180883673 /nfs/dbraw/zinc/88/36/73/1180883673.db2.gz MIRNOBISEBTMPJ-TVQRCGJNSA-N -1 0 303.318 0.806 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000261827678 1185159355 /nfs/dbraw/zinc/15/93/55/1185159355.db2.gz HTHMQSCMZJLWIM-AAEUAGOBSA-N -1 0 318.329 0.885 10 0 DCAERM CC[C@](C)(NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000262487259 1185168657 /nfs/dbraw/zinc/16/86/57/1185168657.db2.gz VQVBWRJQSWHEND-AWEZNQCLSA-N -1 0 306.322 0.256 10 0 DCAERM CCOCCC1(C(=O)NCc2cn(CC(=O)[O-])nn2)CCCC1 ZINC000262779161 1185172597 /nfs/dbraw/zinc/17/25/97/1185172597.db2.gz IRZTUGHNARNBQO-UHFFFAOYSA-N -1 0 324.381 0.966 10 0 DCAERM COc1ccc(OC)c(CC(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000263290750 1185178469 /nfs/dbraw/zinc/17/84/69/1185178469.db2.gz QXMHGOGCWRBFDJ-STQMWFEESA-N -1 0 323.345 0.947 10 0 DCAERM Cc1ccc(N2CCCN(c3cnc(C(=O)[O-])cn3)CC2)nn1 ZINC000263488698 1185178850 /nfs/dbraw/zinc/17/88/50/1185178850.db2.gz HZBGOKKNSUSSME-UHFFFAOYSA-N -1 0 314.349 0.990 10 0 DCAERM CSCCCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396639208 939053554 /nfs/dbraw/zinc/05/35/54/939053554.db2.gz IWDWQUSHXDKHGD-UHFFFAOYSA-N -1 0 303.384 0.068 10 0 DCAERM CC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000689097771 954638837 /nfs/dbraw/zinc/63/88/37/954638837.db2.gz PXVSUJRTKBLATF-AXFHLTTASA-N -1 0 306.384 0.280 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC(F)(F)C(F)(F)C1 ZINC000689215544 954646774 /nfs/dbraw/zinc/64/67/74/954646774.db2.gz KJTWBTBBBGCNTD-LURJTMIESA-N -1 0 320.264 0.366 10 0 DCAERM C[C@H](CN(C)C(=O)NC[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000694078413 954772776 /nfs/dbraw/zinc/77/27/76/954772776.db2.gz CYRGVSJSMHDEBX-NXEZZACHSA-N -1 0 306.384 0.316 10 0 DCAERM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H]1CCCCS1(=O)=O ZINC000692577592 968916127 /nfs/dbraw/zinc/91/61/27/968916127.db2.gz OROVMQCKRHFSBG-SNVBAGLBSA-N -1 0 305.396 0.913 10 0 DCAERM C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000690445399 976296064 /nfs/dbraw/zinc/29/60/64/976296064.db2.gz HKXIHZJYQMCHKQ-SCZZXKLOSA-N -1 0 306.384 0.220 10 0 DCAERM NC(=O)C[C@H]1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000690731141 976330212 /nfs/dbraw/zinc/33/02/12/976330212.db2.gz MHXNAKDHRXFRGI-SSDOTTSWSA-N -1 0 318.376 0.332 10 0 DCAERM C[C@]1(O)CCCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694190560 976677939 /nfs/dbraw/zinc/67/79/39/976677939.db2.gz YBGGQTSONOFNKO-LBPRGKRZSA-N -1 0 303.336 0.903 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NC[C@H]2CCC[C@@H](O)C2)c1 ZINC000694183877 976678047 /nfs/dbraw/zinc/67/80/47/976678047.db2.gz SDZBNMISMJZYPT-WCBMZHEXSA-N -1 0 303.336 0.807 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C[C@]1(C)CO ZINC000694664507 976708607 /nfs/dbraw/zinc/70/86/07/976708607.db2.gz BQEHEWASEDGHGZ-QPUJVOFHSA-N -1 0 303.336 0.617 10 0 DCAERM O=C([O-])[C@H]1CC12CCN(C(=O)[C@@H]1CCCS1(=O)=O)CC2 ZINC000694678800 976709677 /nfs/dbraw/zinc/70/96/77/976709677.db2.gz NWUVGESVMFQKBS-ZJUUUORDSA-N -1 0 301.364 0.277 10 0 DCAERM CC[C@@H](NS(=O)(=O)c1c(C)csc1C(=O)[O-])C(=O)NC ZINC000697819136 976863839 /nfs/dbraw/zinc/86/38/39/976863839.db2.gz FPYUGDHUPNZMCA-SSDOTTSWSA-N -1 0 320.392 0.558 10 0 DCAERM C[C@@](O)(CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(F)(F)F ZINC000698595073 976894974 /nfs/dbraw/zinc/89/49/74/976894974.db2.gz SCZQNGRPSMLDJH-MRVPVSSYSA-N -1 0 316.257 0.305 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Cn3ccnn3)C2)O1 ZINC000828537829 978985284 /nfs/dbraw/zinc/98/52/84/978985284.db2.gz JGEIJAAWBBGIKE-UTUOFQBUSA-N -1 0 308.338 0.149 10 0 DCAERM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N[C@@H]1CCCOC1 ZINC000175347969 198464818 /nfs/dbraw/zinc/46/48/18/198464818.db2.gz ZKLDHLIBBIAUIH-SNVBAGLBSA-N -1 0 319.386 0.980 10 0 DCAERM C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000155625144 291221201 /nfs/dbraw/zinc/22/12/01/291221201.db2.gz BKVYOTGLLOVBOX-UWVGGRQHSA-N -1 0 301.368 0.921 10 0 DCAERM CCCNC(=O)CCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000567065661 291335937 /nfs/dbraw/zinc/33/59/37/291335937.db2.gz GTTPZWIOQVVLJV-SNVBAGLBSA-N -1 0 309.370 0.523 10 0 DCAERM CCOC[C@@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000567792747 291377894 /nfs/dbraw/zinc/37/78/94/291377894.db2.gz OYQDVDQJQDLJSM-MRVPVSSYSA-N -1 0 303.340 0.155 10 0 DCAERM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263541760 291380062 /nfs/dbraw/zinc/38/00/62/291380062.db2.gz DIDIQSRNOXVYKJ-BBBLOLIVSA-N -1 0 305.352 0.207 10 0 DCAERM O=C([O-])/C=C/C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000013615476 181869003 /nfs/dbraw/zinc/86/90/03/181869003.db2.gz UXMBMTDEWHQONJ-SNAWJCMRSA-N -1 0 304.302 0.738 10 0 DCAERM CN(C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000016033745 182030630 /nfs/dbraw/zinc/03/06/30/182030630.db2.gz YKGNFQSXCHNISB-VWYCJHECSA-N -1 0 303.380 0.523 10 0 DCAERM COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCCCC(=O)[O-] ZINC000036969691 182857502 /nfs/dbraw/zinc/85/75/02/182857502.db2.gz KLHOGVBHPAYFHE-UHFFFAOYSA-N -1 0 319.335 0.826 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000037414577 395727123 /nfs/dbraw/zinc/72/71/23/395727123.db2.gz MTVAFALTICCKTF-WCBMZHEXSA-N -1 0 307.274 0.173 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000037462065 395727549 /nfs/dbraw/zinc/72/75/49/395727549.db2.gz QMZMEDCSFUCSSN-WCBMZHEXSA-N -1 0 319.766 0.857 10 0 DCAERM O=C([O-])CN(Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000037594616 395728248 /nfs/dbraw/zinc/72/82/48/395728248.db2.gz IZZBDEXCGNQQQF-MRVPVSSYSA-N -1 0 323.321 0.352 10 0 DCAERM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000038020979 395730790 /nfs/dbraw/zinc/73/07/90/395730790.db2.gz JEHXAPFSOWEJEE-UHFFFAOYSA-N -1 0 312.347 0.667 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000195286809 395823637 /nfs/dbraw/zinc/82/36/37/395823637.db2.gz CXTKLAQLGULVLE-UWVGGRQHSA-N -1 0 310.297 0.631 10 0 DCAERM CN(C(=O)N1CCCC[C@]1(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000134061282 395930551 /nfs/dbraw/zinc/93/05/51/395930551.db2.gz ONZXQUIYCUDMHA-GXFFZTMASA-N -1 0 318.395 0.555 10 0 DCAERM C[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCS1(=O)=O ZINC000131834337 395925559 /nfs/dbraw/zinc/92/55/59/395925559.db2.gz CCPVDJVRFBMDFS-ZETCQYMHSA-N -1 0 305.302 0.930 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000227865660 395869683 /nfs/dbraw/zinc/86/96/83/395869683.db2.gz VVARLDMHJJBNCU-RNFRBKRXSA-N -1 0 305.743 0.381 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000227865314 395869991 /nfs/dbraw/zinc/86/99/91/395869991.db2.gz FVUCXOTZKQBJLA-NKWVEPMBSA-N -1 0 307.759 0.605 10 0 DCAERM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000230812026 395881527 /nfs/dbraw/zinc/88/15/27/395881527.db2.gz VPRBFUXVZLETQO-RQJHMYQMSA-N -1 0 307.759 0.557 10 0 DCAERM Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000140369150 395955987 /nfs/dbraw/zinc/95/59/87/395955987.db2.gz OBAFWLYRYIEGGN-LLVKDONJSA-N -1 0 310.331 0.430 10 0 DCAERM CCN(C[C@@H](C)C(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000061224600 395966570 /nfs/dbraw/zinc/96/65/70/395966570.db2.gz SYFKZTYXSAWMOJ-ZJUUUORDSA-N -1 0 306.384 0.268 10 0 DCAERM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)CC(=O)[O-])cc1 ZINC000147314419 395966783 /nfs/dbraw/zinc/96/67/83/395966783.db2.gz TWWCYFVXKWPJLE-VIFPVBQESA-N -1 0 315.347 0.862 10 0 DCAERM O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@H]3N4c3ccccc3)[C@@H]2C1=O ZINC000256047419 396033646 /nfs/dbraw/zinc/03/36/46/396033646.db2.gz MKMVOGMPTPFPQW-XRALGQFYSA-N -1 0 312.325 0.579 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070556086 396102868 /nfs/dbraw/zinc/10/28/68/396102868.db2.gz QMARFUAXKQLCKV-MNOVXSKESA-N -1 0 315.395 0.959 10 0 DCAERM CCc1nnsc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262395174 396134853 /nfs/dbraw/zinc/13/48/53/396134853.db2.gz NIQXCVSBGNWLIK-ISVAXAHUSA-N -1 0 311.363 0.664 10 0 DCAERM Cc1ccn2ncc(C(=O)N[C@@H](C(=O)[O-])[C@@H]3CCCOC3)c2n1 ZINC000262776011 396180718 /nfs/dbraw/zinc/18/07/18/396180718.db2.gz LUEDWRPRNIYXJF-ZYHUDNBSSA-N -1 0 318.333 0.647 10 0 DCAERM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccon2)CC1 ZINC000262881535 396189250 /nfs/dbraw/zinc/18/92/50/396189250.db2.gz FOQNCTFWNJLSRP-ZDUSSCGKSA-N -1 0 323.349 0.531 10 0 DCAERM COc1ccc(OC)c(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262955488 396195005 /nfs/dbraw/zinc/19/50/05/396195005.db2.gz JMECVIANPKXPNV-AWEZNQCLSA-N -1 0 323.345 0.948 10 0 DCAERM Cc1cccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1F ZINC000283409676 396335253 /nfs/dbraw/zinc/33/52/53/396335253.db2.gz AOBHAEOXRFIGGJ-UHFFFAOYSA-N -1 0 301.299 0.331 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)c2ccc(NC3CC3)nc2)n[n-]1 ZINC000586757167 396663193 /nfs/dbraw/zinc/66/31/93/396663193.db2.gz ZLCHXNYGTHRXAL-UHFFFAOYSA-N -1 0 322.350 0.430 10 0 DCAERM CN(CC(=O)[O-])C(=O)NCCCn1cc(Br)cn1 ZINC000311009799 396759311 /nfs/dbraw/zinc/75/93/11/396759311.db2.gz LOICIUMRDWWZIV-UHFFFAOYSA-N -1 0 319.159 0.762 10 0 DCAERM CO[C@@H]1CN(C(=O)c2c(Cl)cnn2C)[C@](C)(C(=O)[O-])C1 ZINC000630314677 396982094 /nfs/dbraw/zinc/98/20/94/396982094.db2.gz CQJVVKDRFISGGF-MADCSZMMSA-N -1 0 301.730 0.778 10 0 DCAERM CO[C@@H]1CN(C(=O)N[C@@H]2CCCn3nccc32)[C@](C)(C(=O)[O-])C1 ZINC000630504146 397033764 /nfs/dbraw/zinc/03/37/64/397033764.db2.gz FDAWSPLDMLPHPU-RWSFTLGLSA-N -1 0 322.365 0.992 10 0 DCAERM COC(=O)c1ccccc1CC(=O)NC1(c2nnn[n-]2)CC1 ZINC000572675197 397083282 /nfs/dbraw/zinc/08/32/82/397083282.db2.gz SUWYVTIINOQYGY-UHFFFAOYSA-N -1 0 301.306 0.334 10 0 DCAERM CCN(CC(F)F)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000385853177 397286734 /nfs/dbraw/zinc/28/67/34/397286734.db2.gz GNJPEYODIGJHOK-MRVPVSSYSA-N -1 0 300.327 0.615 10 0 DCAERM C[C@]1(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)CCCNC1=O ZINC000408068198 397346122 /nfs/dbraw/zinc/34/61/22/397346122.db2.gz RUEPZGBGGODHNR-OTYXRUKQSA-N -1 0 308.338 0.398 10 0 DCAERM Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000606117928 397677688 /nfs/dbraw/zinc/67/76/88/397677688.db2.gz XHTURNXCOLYRBC-UHFFFAOYSA-N -1 0 302.338 0.886 10 0 DCAERM CCC(CC)(CNC(=O)NC[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000165181827 158364926 /nfs/dbraw/zinc/36/49/26/158364926.db2.gz NCQGMOXLAJBHHO-LLVKDONJSA-N -1 0 301.387 0.507 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000181347497 158483958 /nfs/dbraw/zinc/48/39/58/158483958.db2.gz KWWFDPUZAAGHGH-UHFFFAOYSA-N -1 0 320.334 0.800 10 0 DCAERM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000192033091 158573342 /nfs/dbraw/zinc/57/33/42/158573342.db2.gz OIAWIQSQDIGZDL-VXGBXAGGSA-N -1 0 316.423 0.785 10 0 DCAERM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCC(=O)[O-])C1 ZINC000262114237 158774510 /nfs/dbraw/zinc/77/45/10/158774510.db2.gz HLUJCVVNNXJADB-GHMZBOCLSA-N -1 0 320.411 0.418 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000262168584 158781666 /nfs/dbraw/zinc/78/16/66/158781666.db2.gz QENKYQYIEOLUFH-STQMWFEESA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000262575115 158827511 /nfs/dbraw/zinc/82/75/11/158827511.db2.gz YAVYREAXCMTPCY-MWLCHTKSSA-N -1 0 317.301 0.009 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCCCC(=O)[O-] ZINC000263146207 158858894 /nfs/dbraw/zinc/85/88/94/158858894.db2.gz WGKXBCZFSGCODN-GFCCVEGCSA-N -1 0 320.411 0.562 10 0 DCAERM Cc1cc(N2CCC[C@H](NC(=O)N(C)CCC(=O)[O-])C2)n(C)n1 ZINC000263370908 158875548 /nfs/dbraw/zinc/87/55/48/158875548.db2.gz MWSIPUNZBRLAQV-LBPRGKRZSA-N -1 0 323.397 0.813 10 0 DCAERM CCCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC ZINC000263450039 158879118 /nfs/dbraw/zinc/87/91/18/158879118.db2.gz AGKVKPDXFBRICX-VHSXEESVSA-N -1 0 307.368 0.455 10 0 DCAERM CC(C)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408156665 160049030 /nfs/dbraw/zinc/04/90/30/160049030.db2.gz AMHDEYYWXXLPTD-ZJUUUORDSA-N -1 0 313.379 0.763 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)NCC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC000408238443 160067201 /nfs/dbraw/zinc/06/72/01/160067201.db2.gz XHRHTRDLHALONP-VHSXEESVSA-N -1 0 308.400 0.272 10 0 DCAERM CC1(C)CN(CC[N-]S(=O)(=O)CC(F)(F)F)CCO1 ZINC000408436381 160107521 /nfs/dbraw/zinc/10/75/21/160107521.db2.gz BURPEQXIBAUAQK-UHFFFAOYSA-N -1 0 304.334 0.579 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)C1CCC(=O)CC1 ZINC000408481877 160117804 /nfs/dbraw/zinc/11/78/04/160117804.db2.gz SNYWZNZAGVSTOZ-LBPRGKRZSA-N -1 0 303.380 0.761 10 0 DCAERM CC(C)[C@@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408481995 160117806 /nfs/dbraw/zinc/11/78/06/160117806.db2.gz GOJRJPBGQACKFK-WOPDTQHZSA-N -1 0 305.396 0.673 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@H]1CCc2n[nH]cc2C1 ZINC000408485356 160118654 /nfs/dbraw/zinc/11/86/54/160118654.db2.gz HEMSBWOSGLDUKP-GXSJLCMTSA-N -1 0 313.379 0.140 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)O1 ZINC000408492666 160118988 /nfs/dbraw/zinc/11/89/88/160118988.db2.gz AFMHNZWTHVFWFX-RDDDGLTNSA-N -1 0 310.335 0.330 10 0 DCAERM CO[C@@]1(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCOC1 ZINC000408500209 160120201 /nfs/dbraw/zinc/12/02/01/160120201.db2.gz PLKZSAAPHXEYLE-XZUYRWCXSA-N -1 0 303.380 0.427 10 0 DCAERM CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)cn1 ZINC000408501623 160120246 /nfs/dbraw/zinc/12/02/46/160120246.db2.gz RLUSMPQBNXXEPL-TUAOUCFPSA-N -1 0 313.379 0.694 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000251183251 298368140 /nfs/dbraw/zinc/36/81/40/298368140.db2.gz HSIGWQZZZBBNBT-JRKPZEMJSA-N -1 0 300.380 0.810 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000062925561 415349342 /nfs/dbraw/zinc/34/93/42/415349342.db2.gz NHZHIYPWTUJOBQ-GFCCVEGCSA-N -1 0 304.368 0.024 10 0 DCAERM O=C(CNC(=O)c1nn(-c2ccccc2F)cc1[O-])NC1CC1 ZINC000104825164 415627538 /nfs/dbraw/zinc/62/75/38/415627538.db2.gz KNUHVJNWHDINRV-UHFFFAOYSA-N -1 0 318.308 0.725 10 0 DCAERM CCCNC(=O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000104824299 415627626 /nfs/dbraw/zinc/62/76/26/415627626.db2.gz LQJXCKKMDDJUOU-UHFFFAOYSA-N -1 0 320.324 0.973 10 0 DCAERM Cc1c(NC(=O)CN2CC(=O)NC2=O)cnn1-c1ccccc1 ZINC000129170377 415907180 /nfs/dbraw/zinc/90/71/80/415907180.db2.gz NDJVZFMLKDQTKX-UHFFFAOYSA-N -1 0 313.317 0.671 10 0 DCAERM C[C@H]1CN(CC(=O)[N-]OCc2ccccc2)CCS1(=O)=O ZINC000133764041 415951641 /nfs/dbraw/zinc/95/16/41/415951641.db2.gz UKLQKOVEYDQNHK-LBPRGKRZSA-N -1 0 312.391 0.353 10 0 DCAERM CO[C@]1(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCOC1 ZINC000160999952 416011056 /nfs/dbraw/zinc/01/10/56/416011056.db2.gz MOOYJWRMMVOOEG-RISCZKNCSA-N -1 0 302.371 0.838 10 0 DCAERM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357042107 416026025 /nfs/dbraw/zinc/02/60/25/416026025.db2.gz GBOSJPAGPUKAPD-KCJUWKMLSA-N -1 0 301.306 0.534 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1cccnc1OCC(F)F ZINC000357073621 416029705 /nfs/dbraw/zinc/02/97/05/416029705.db2.gz RPUBFIOIHVVQGP-UHFFFAOYSA-N -1 0 310.264 0.658 10 0 DCAERM COCCCOc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cn1 ZINC000357093497 416032957 /nfs/dbraw/zinc/03/29/57/416032957.db2.gz DWDBNSZJHHSJLD-UHFFFAOYSA-N -1 0 318.337 0.429 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@H]2Cc3ccccc3O2)n[n-]1 ZINC000439155327 416607936 /nfs/dbraw/zinc/60/79/36/416607936.db2.gz UKMBNXSDZYFGCM-SECBINFHSA-N -1 0 308.319 0.150 10 0 DCAERM CS(=O)(=O)CC1(CNC(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC000515585705 416704779 /nfs/dbraw/zinc/70/47/79/416704779.db2.gz XBDHONSDVRCBJV-JTQLQIEISA-N -1 0 318.395 0.364 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCOC(C)C)C1 ZINC000380890169 417087257 /nfs/dbraw/zinc/08/72/57/417087257.db2.gz FGPWODCIUZRWDB-LBPRGKRZSA-N -1 0 309.384 0.164 10 0 DCAERM CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2nnn[n-]2)C1 ZINC000616680106 417092391 /nfs/dbraw/zinc/09/23/91/417092391.db2.gz NCMNCQUIUGQMMN-JTQLQIEISA-N -1 0 312.374 0.488 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000526929994 417192811 /nfs/dbraw/zinc/19/28/11/417192811.db2.gz HMCBPYWTRMNOAJ-SSDOTTSWSA-N -1 0 304.276 0.189 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408475107 417163350 /nfs/dbraw/zinc/16/33/50/417163350.db2.gz BOODDAPGWVZAQQ-SECBINFHSA-N -1 0 316.383 0.245 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCC(=O)NC1 ZINC000408492792 417165473 /nfs/dbraw/zinc/16/54/73/417165473.db2.gz FIFLFIBPGDXDQM-FBKDDSFISA-N -1 0 314.407 0.537 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000569400181 417248658 /nfs/dbraw/zinc/24/86/58/417248658.db2.gz VWOQMJPQMMCPIR-WKEGUHRASA-N -1 0 305.743 0.169 10 0 DCAERM CC1(C)c2cc(C(=O)NC3(c4nnn[n-]4)CC3)ccc2NC1=O ZINC000576563522 417617630 /nfs/dbraw/zinc/61/76/30/417617630.db2.gz MQKNSJXIEVVPRL-UHFFFAOYSA-N -1 0 312.333 0.849 10 0 DCAERM CCC[C@@H](NC(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000576611019 417624195 /nfs/dbraw/zinc/62/41/95/417624195.db2.gz SRIIGWQUSXJBGG-SNVBAGLBSA-N -1 0 306.384 0.364 10 0 DCAERM C[C@@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000229349986 545946681 /nfs/dbraw/zinc/94/66/81/545946681.db2.gz ASXCOTZNVARLQD-HTQZYQBOSA-N -1 0 300.336 0.232 10 0 DCAERM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)N=c1nc(C(C)C)[n-]s1 ZINC000555494827 288352059 /nfs/dbraw/zinc/35/20/59/288352059.db2.gz NAWLSPQWGVXNGN-DTWKUNHWSA-N -1 0 314.411 0.952 10 0 DCAERM CN1C[C@H](C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)CC1=O ZINC000263087832 290302082 /nfs/dbraw/zinc/30/20/82/290302082.db2.gz DKRICPUBNJESMK-PSLIRLAXSA-N -1 0 308.309 0.720 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000221597298 294596007 /nfs/dbraw/zinc/59/60/07/294596007.db2.gz BBSYABLVMPSQQS-QWRGUYRKSA-N -1 0 317.338 0.997 10 0 DCAERM COc1ccccc1S(=O)(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000226874581 295378460 /nfs/dbraw/zinc/37/84/60/295378460.db2.gz VPDPOIARYBQLFG-UWVGGRQHSA-N -1 0 315.347 0.558 10 0 DCAERM Cc1cc2c(cc1S(=O)(=O)N[C@@H](C)C(=O)[O-])OCC(=O)N2 ZINC000032917706 301452015 /nfs/dbraw/zinc/45/20/15/301452015.db2.gz KFYGGVGYUGILEP-ZETCQYMHSA-N -1 0 314.319 0.077 10 0 DCAERM O=c1nc(CN2CCO[C@]3(CCOC3)C2)[n-]c2ccsc21 ZINC000185133384 304814106 /nfs/dbraw/zinc/81/41/06/304814106.db2.gz AYTGHOQKDAAFDT-CQSZACIVSA-N -1 0 307.375 0.976 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000583379332 332374293 /nfs/dbraw/zinc/37/42/93/332374293.db2.gz QLKXPCQCXGDJKR-IJLUTSLNSA-N -1 0 320.411 0.670 10 0 DCAERM NC(=O)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000036983407 337361728 /nfs/dbraw/zinc/36/17/28/337361728.db2.gz UKXZXXXFWAMOQU-ZCFIWIBFSA-N -1 0 324.717 0.086 10 0 DCAERM CNS(=O)(=O)c1csc(C(=O)N[C@H](C)CCC(=O)[O-])c1 ZINC000263009934 522315168 /nfs/dbraw/zinc/31/51/68/522315168.db2.gz WNJVKGXVQLOXJM-SSDOTTSWSA-N -1 0 320.392 0.639 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)[C@H](C)CO ZINC000163184263 522395226 /nfs/dbraw/zinc/39/52/26/522395226.db2.gz SQICBKJRJGMSQY-RNFRBKRXSA-N -1 0 308.381 0.225 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000159678284 526334449 /nfs/dbraw/zinc/33/44/49/526334449.db2.gz QLLWGFLWTPEZAW-IONNQARKSA-N -1 0 323.729 0.688 10 0 DCAERM Cc1nc([C@@H]2CCCN2C(=O)Cn2[n-]c(=O)ccc2=O)cs1 ZINC000188112494 527049170 /nfs/dbraw/zinc/04/91/70/527049170.db2.gz AHZQZYPGBZUEFD-NSHDSACASA-N -1 0 320.374 0.665 10 0 DCAERM Cc1n[nH]cc1S(=O)(=O)N[C@H](C)c1nc(C(=O)[O-])cs1 ZINC000090941005 545715703 /nfs/dbraw/zinc/71/57/03/545715703.db2.gz FYQRLYZZBHRTEW-ZCFIWIBFSA-N -1 0 316.364 0.912 10 0 DCAERM CC(C)(C)OC(=O)NC[C@@]1(C(=O)[O-])CCCS(=O)(=O)C1 ZINC000725244030 548748745 /nfs/dbraw/zinc/74/87/45/548748745.db2.gz CYBHFPYWLIROEE-LBPRGKRZSA-N -1 0 307.368 0.791 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N=S2(=O)CCNCC2)s1 ZINC000725261233 548748772 /nfs/dbraw/zinc/74/87/72/548748772.db2.gz XZUKWOISGDBOOG-UHFFFAOYSA-N -1 0 324.405 0.206 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)[C@H](C(=O)[O-])[C@@H]2C1 ZINC000685945988 548749070 /nfs/dbraw/zinc/74/90/70/548749070.db2.gz IGDFYFFMAMUACJ-HLTSFMKQSA-N -1 0 305.352 0.351 10 0 DCAERM [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000034349834 571752057 /nfs/dbraw/zinc/75/20/57/571752057.db2.gz PEEAINPHPNDNGE-PWSUYJOCSA-N -1 0 319.317 0.082 10 0 endogenous,in-man DCAERM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000722334262 660847873 /nfs/dbraw/zinc/84/78/73/660847873.db2.gz PKXRJLDTBCLKRS-GHMZBOCLSA-N -1 0 306.384 0.185 10 0 DCAERM O=C([O-])CCCS(=O)(=O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000723742251 657490222 /nfs/dbraw/zinc/49/02/22/657490222.db2.gz YHDVTULYRMUBRL-WCQYABFASA-N -1 0 305.396 0.976 10 0 DCAERM C[C@H](CN=c1nn[n-]n1Cc1ccccc1)N1CCOCC1 ZINC000891755907 657719838 /nfs/dbraw/zinc/71/98/38/657719838.db2.gz MHUJYZOTULYUSR-CYBMUJFWSA-N -1 0 302.382 0.276 10 0 DCAERM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)CO ZINC000122319228 659427911 /nfs/dbraw/zinc/42/79/11/659427911.db2.gz GYQOROWPYDCVMR-VIFPVBQESA-N -1 0 301.364 0.949 10 0 DCAERM Cc1ccn(CC(=O)[N-]S(=O)(=O)Cc2ccccc2)c(=O)c1 ZINC000195263174 659540179 /nfs/dbraw/zinc/54/01/79/659540179.db2.gz SHBNHIMQVLQPOV-UHFFFAOYSA-N -1 0 320.370 0.803 10 0 DCAERM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O ZINC000181955843 665699496 /nfs/dbraw/zinc/69/94/96/665699496.db2.gz ASJPVLMJARUKDG-JTQLQIEISA-N -1 0 323.374 0.861 10 0 DCAERM CS(=O)(=O)CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000221721316 661788235 /nfs/dbraw/zinc/78/82/35/661788235.db2.gz NOOQFSLVCZOFRQ-DCAQKATOSA-N -1 0 303.380 0.665 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262109264 662074899 /nfs/dbraw/zinc/07/48/99/662074899.db2.gz GRHQWSNNTIXDIA-SNVBAGLBSA-N -1 0 317.345 0.846 10 0 DCAERM CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000170306205 664577017 /nfs/dbraw/zinc/57/70/17/664577017.db2.gz YJCSFMPXNUXSII-NEPJUHHUSA-N -1 0 301.364 0.893 10 0 DCAERM COC[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000171499011 664609123 /nfs/dbraw/zinc/60/91/23/664609123.db2.gz KHGROBPBJKFUFK-NSHDSACASA-N -1 0 323.374 0.960 10 0 DCAERM COc1c(C(=O)[N-]S(=O)(=O)Cc2ccccc2)c(C)nn1C ZINC000171959656 664614301 /nfs/dbraw/zinc/61/43/01/664614301.db2.gz REZWZRRNBZDJJD-UHFFFAOYSA-N -1 0 323.374 0.997 10 0 DCAERM CS(=O)(=O)[N-]C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000173885876 664633204 /nfs/dbraw/zinc/63/32/04/664633204.db2.gz RBMRPNNASQAKAV-UHFFFAOYSA-N -1 0 300.311 0.642 10 0 DCAERM COCCNC(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1 ZINC000183484753 666053081 /nfs/dbraw/zinc/05/30/81/666053081.db2.gz PVVQYGGTZUVVEK-SNVBAGLBSA-N -1 0 301.306 0.053 10 0 DCAERM CC[S@](=O)CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000735116270 666956274 /nfs/dbraw/zinc/95/62/74/666956274.db2.gz FXXGVEOBFGSHTM-NRFANRHFSA-N -1 0 309.347 0.528 10 0 DCAERM Cn1cc(Cl)c(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)n1 ZINC000864281773 667231878 /nfs/dbraw/zinc/23/18/78/667231878.db2.gz YJHZYBLKRJLCTA-VIFPVBQESA-N -1 0 315.757 0.931 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C1 ZINC000711547887 667488022 /nfs/dbraw/zinc/48/80/22/667488022.db2.gz LNLKDRIAXVHEJZ-GARJFASQSA-N -1 0 320.436 0.323 10 0 DCAERM C[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000190393338 670433509 /nfs/dbraw/zinc/43/35/09/670433509.db2.gz NYZBASWWRAJPIH-IUCAKERBSA-N -1 0 302.327 0.841 10 0 DCAERM CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000194590990 670443313 /nfs/dbraw/zinc/44/33/13/670443313.db2.gz SCWFADDUJJDANJ-LLVKDONJSA-N -1 0 304.412 0.735 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000720410304 685313202 /nfs/dbraw/zinc/31/32/02/685313202.db2.gz OFONFXUVSYHZHH-JTQLQIEISA-N -1 0 306.384 0.139 10 0 DCAERM COc1ccc(OCC(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])cc1 ZINC000261651392 1184651582 /nfs/dbraw/zinc/65/15/82/1184651582.db2.gz JRSIDULDOKWIJD-STQMWFEESA-N -1 0 309.318 0.775 10 0 DCAERM C[C@H](Oc1ccccc1F)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000261884085 1185159976 /nfs/dbraw/zinc/15/99/76/1185159976.db2.gz MYEMOCUCBDRIBX-VIFPVBQESA-N -1 0 322.296 0.586 10 0 DCAERM CCN(CC)C(=O)CCCC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000262106819 1185162788 /nfs/dbraw/zinc/16/27/88/1185162788.db2.gz GHVICNIKXBJISF-NEPJUHHUSA-N -1 0 314.382 0.726 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)nnn3C)C1 ZINC000262217287 1185164170 /nfs/dbraw/zinc/16/41/70/1185164170.db2.gz ZCGYQIIWWHNRKY-SKDRFNHKSA-N -1 0 304.306 0.282 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CSCC(F)(F)F)C1 ZINC000262913291 1185173732 /nfs/dbraw/zinc/17/37/32/1185173732.db2.gz HPWRDFKVBQIAQQ-RNFRBKRXSA-N -1 0 301.286 0.982 10 0 DCAERM CO[C@H](CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)C(=O)[O-] ZINC000262848189 1185174099 /nfs/dbraw/zinc/17/40/99/1185174099.db2.gz FQVOENFPMPPKKO-DGCLKSJQSA-N -1 0 320.345 0.793 10 0 DCAERM CO[C@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000263087330 1185175426 /nfs/dbraw/zinc/17/54/26/1185175426.db2.gz MHFMSHQHKIBALZ-CYBMUJFWSA-N -1 0 303.318 0.631 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCS1 ZINC000689190085 954639862 /nfs/dbraw/zinc/63/98/62/954639862.db2.gz KJSBRNUTFCOOQP-ZJUUUORDSA-N -1 0 308.425 0.608 10 0 DCAERM CO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1(C)C ZINC000689244994 954649364 /nfs/dbraw/zinc/64/93/64/954649364.db2.gz WWTYUERBBJULJK-LPEHRKFASA-N -1 0 306.384 0.183 10 0 DCAERM O=C([O-])CS(=O)(=O)CCN1CCO[C@@H](CC(F)(F)F)C1 ZINC000699029962 968973743 /nfs/dbraw/zinc/97/37/43/968973743.db2.gz IWUBFTOVVDBHRT-QMMMGPOBSA-N -1 0 319.301 0.139 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000687072806 976131133 /nfs/dbraw/zinc/13/11/33/976131133.db2.gz WBYGXWBHRQDJKO-LBPRGKRZSA-N -1 0 301.368 0.948 10 0 DCAERM CN1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])CCC1=O ZINC000688952147 976196605 /nfs/dbraw/zinc/19/66/05/976196605.db2.gz FAXOUYCUNKJSGY-UHFFFAOYSA-N -1 0 318.376 0.299 10 0 DCAERM COC(=O)N(C)CCNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000689547301 976258739 /nfs/dbraw/zinc/25/87/39/976258739.db2.gz ZNJMKENQYWIYLL-UHFFFAOYSA-N -1 0 322.364 0.423 10 0 DCAERM CN(CCNS(C)(=O)=O)c1ncc(C(=O)[O-])cc1Cl ZINC000689772852 976262353 /nfs/dbraw/zinc/26/23/53/976262353.db2.gz LBYSUTLEZOIREK-UHFFFAOYSA-N -1 0 307.759 0.419 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2CCO[C@H](CCF)C2)o1 ZINC000691930191 976390853 /nfs/dbraw/zinc/39/08/53/976390853.db2.gz OZKUGAVCWALICA-MRVPVSSYSA-N -1 0 307.299 0.727 10 0 DCAERM CS(=O)(=O)CC1(CCNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000692805887 976549021 /nfs/dbraw/zinc/54/90/21/976549021.db2.gz ADZJEUBFDRJYSH-VHSXEESVSA-N -1 0 303.380 0.428 10 0 DCAERM CCS(=O)(=O)C1(CNC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000693489262 976639540 /nfs/dbraw/zinc/63/95/40/976639540.db2.gz LZLKRNWPUNRZCZ-UHFFFAOYSA-N -1 0 301.320 0.675 10 0 DCAERM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694170309 976675052 /nfs/dbraw/zinc/67/50/52/976675052.db2.gz AIRVSCBOIBGNJA-QMMMGPOBSA-N -1 0 302.308 0.006 10 0 DCAERM O=C([O-])C1=CC[C@@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000695017820 976767327 /nfs/dbraw/zinc/76/73/27/976767327.db2.gz DNSBTQCHGVQIKM-ZJUUUORDSA-N -1 0 319.404 0.196 10 0 DCAERM C[C@H](CNC(=O)Nc1cncc(C(=O)[O-])c1)S(C)(=O)=O ZINC000697580821 976849768 /nfs/dbraw/zinc/84/97/68/976849768.db2.gz QKHAQXILBJCKSJ-SSDOTTSWSA-N -1 0 301.324 0.334 10 0 DCAERM O=C([O-])[C@@]1(O)CCN(C(=O)c2ncsc2Br)C1 ZINC000698621657 976897223 /nfs/dbraw/zinc/89/72/23/976897223.db2.gz AKRCSTALJYRCKA-SECBINFHSA-N -1 0 321.152 0.567 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000234501899 291000347 /nfs/dbraw/zinc/00/03/47/291000347.db2.gz BGCIHVGYZGCZOZ-GXSJLCMTSA-N -1 0 307.368 0.455 10 0 DCAERM Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)[O-])cc1)CN2 ZINC000003869369 181051134 /nfs/dbraw/zinc/05/11/34/181051134.db2.gz WBFYVDCHGVNRBH-UHFFFAOYSA-N -1 0 314.305 0.660 10 0 endogenous,in-man DCAERM CCc1c2nn(CC(=O)[O-])c(=O)n2c(-c2ccncc2)nc1C ZINC000073695095 191342389 /nfs/dbraw/zinc/34/23/89/191342389.db2.gz CCMVNOMJRJXLRL-UHFFFAOYSA-N -1 0 313.317 0.908 10 0 DCAERM O=C([O-])COc1ccnc(N2CCN(c3ccccn3)CC2)n1 ZINC000073710877 191345344 /nfs/dbraw/zinc/34/53/44/191345344.db2.gz STZMCRPXFQGHJX-UHFFFAOYSA-N -1 0 315.333 0.662 10 0 DCAERM O=C([O-])CCn1nc(-c2nc(-c3cccnc3)no2)ccc1=O ZINC000073738234 191350261 /nfs/dbraw/zinc/35/02/61/191350261.db2.gz SURIGMMAROFXQR-UHFFFAOYSA-N -1 0 313.273 0.830 10 0 DCAERM CC1=C(C)C(=O)N(c2ccc(C(=O)NCC(=O)[O-])cc2)C1=O ZINC000005766162 181282280 /nfs/dbraw/zinc/28/22/80/181282280.db2.gz IYZVVULPBGFSRJ-UHFFFAOYSA-N -1 0 302.286 0.711 10 0 DCAERM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cccc2ccccc21 ZINC000159629489 291235182 /nfs/dbraw/zinc/23/51/82/291235182.db2.gz LYMUIJHPZYCSKX-GFCCVEGCSA-N -1 0 309.343 0.954 10 0 DCAERM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC000263467515 291389231 /nfs/dbraw/zinc/38/92/31/291389231.db2.gz GOUSVQPNPQLOAQ-NXEZZACHSA-N -1 0 307.368 0.453 10 0 DCAERM C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)[C@H](C)C(=O)[O-] ZINC000263465572 203470875 /nfs/dbraw/zinc/47/08/75/203470875.db2.gz QWZUSVNAJCELCQ-UWVGGRQHSA-N -1 0 303.322 0.566 10 0 DCAERM COc1cccc(C(=O)NCC(=O)N2CCC[C@]2(C)C(=O)[O-])c1 ZINC000263501701 203474794 /nfs/dbraw/zinc/47/47/94/203474794.db2.gz ZEEBCNSJKQXSJJ-MRXNPFEDSA-N -1 0 320.345 0.891 10 0 DCAERM O=S(=O)(NCCN1CCOCC1)c1nc2ccccc2[n-]1 ZINC000095850726 193448864 /nfs/dbraw/zinc/44/88/64/193448864.db2.gz TZFXGJYTFVEHLV-UHFFFAOYSA-N -1 0 310.379 0.173 10 0 DCAERM O=C([O-])[C@@H]1CC(=O)N([C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000011850222 181711425 /nfs/dbraw/zinc/71/14/25/181711425.db2.gz MHYYYHBRGFEJBB-CABCVRRESA-N -1 0 318.373 0.993 10 0 DCAERM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000282587615 217108476 /nfs/dbraw/zinc/10/84/76/217108476.db2.gz PUYBEPDJHOUAIB-XVKPBYJWSA-N -1 0 304.318 0.910 10 0 DCAERM NC(=O)C[C@@H](NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000020305093 182205180 /nfs/dbraw/zinc/20/51/80/182205180.db2.gz RFEXVJCPPBGPAA-SECBINFHSA-N -1 0 302.689 0.466 10 0 DCAERM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1Cl ZINC000037462193 182895841 /nfs/dbraw/zinc/89/58/41/182895841.db2.gz HLDQIVMRGHFNKY-LHLIQPBNSA-N -1 0 323.754 0.461 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)CCCC(F)(F)F ZINC000219467022 304204041 /nfs/dbraw/zinc/20/40/41/304204041.db2.gz IYCUTUFXJKNTIM-NKWVEPMBSA-N -1 0 305.274 0.179 10 0 DCAERM COCc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C(=O)[O-] ZINC000051699256 183835078 /nfs/dbraw/zinc/83/50/78/183835078.db2.gz MDFMCRZVGZJLCA-LURJTMIESA-N -1 0 308.743 0.741 10 0 DCAERM CCN(CCC(=O)[O-])C(=O)[C@@H](CC(C)C)NS(C)(=O)=O ZINC000038022263 284858734 /nfs/dbraw/zinc/85/87/34/284858734.db2.gz CZWMOBDJKDSQNO-SNVBAGLBSA-N -1 0 308.400 0.274 10 0 DCAERM Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)s1 ZINC000061145395 184163240 /nfs/dbraw/zinc/16/32/40/184163240.db2.gz WAODFCXNDRPJPW-UHFFFAOYSA-N -1 0 318.420 0.838 10 0 DCAERM O=C([O-])CN1CCCN(S(=O)(=O)c2cccs2)CC1 ZINC000061145390 184163261 /nfs/dbraw/zinc/16/32/61/184163261.db2.gz MKKHMFMMSLGADE-UHFFFAOYSA-N -1 0 304.393 0.529 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000262516413 532950219 /nfs/dbraw/zinc/95/02/19/532950219.db2.gz NOQODWOVSFBWFN-DGCLKSJQSA-N -1 0 316.317 0.581 10 0 DCAERM CN(C(=O)N1CC[C@@H](CC(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000089715328 395714167 /nfs/dbraw/zinc/71/41/67/395714167.db2.gz RJYPMAWQTZQSTN-VHSXEESVSA-N -1 0 304.368 0.022 10 0 DCAERM Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)[O-])OCC(=O)N2 ZINC000032917698 395714688 /nfs/dbraw/zinc/71/46/88/395714688.db2.gz LQTUIYGZLSLPAQ-UHFFFAOYSA-N -1 0 314.319 0.031 10 0 DCAERM Cn1c(=O)c2c(nc3c(c2C(=O)[O-])CCCCC3)n(C)c1=O ZINC000039286947 395732562 /nfs/dbraw/zinc/73/25/62/395732562.db2.gz SSNCKCSXJIFGQM-UHFFFAOYSA-N -1 0 303.318 0.599 10 0 DCAERM O=C([O-])CC1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000093680591 395738779 /nfs/dbraw/zinc/73/87/79/395738779.db2.gz ACMYLZRWVSAIEU-UHFFFAOYSA-N -1 0 304.368 0.024 10 0 DCAERM Cc1cccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000040162643 395733050 /nfs/dbraw/zinc/73/30/50/395733050.db2.gz NKXOJRIHICFBPN-LBPRGKRZSA-N -1 0 309.347 0.692 10 0 DCAERM CN(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000040591424 395734074 /nfs/dbraw/zinc/73/40/74/395734074.db2.gz PVYZBWXGIXLUIK-BDAKNGLRSA-N -1 0 306.384 0.314 10 0 DCAERM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000044618212 395757267 /nfs/dbraw/zinc/75/72/67/395757267.db2.gz GUUKLTPCRREJCK-SNVBAGLBSA-N -1 0 315.347 0.942 10 0 DCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCCOCC1CC1 ZINC000223798679 395856749 /nfs/dbraw/zinc/85/67/49/395856749.db2.gz PXLSRHXGAUHJSM-UHFFFAOYSA-N -1 0 303.340 0.203 10 0 DCAERM CN(C(=O)N1CCCC[C@@]1(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000134061468 395930943 /nfs/dbraw/zinc/93/09/43/395930943.db2.gz ONZXQUIYCUDMHA-GWCFXTLKSA-N -1 0 318.395 0.555 10 0 DCAERM CC(C)[C@H](CC(=O)[O-])NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000136565570 395947729 /nfs/dbraw/zinc/94/77/29/395947729.db2.gz ONLLJRZUJOAPOE-UWVGGRQHSA-N -1 0 306.384 0.314 10 0 DCAERM CCC[C@@H](NC(=O)c1cnn2ccc(C)nc12)c1nnn[n-]1 ZINC000136718627 395948747 /nfs/dbraw/zinc/94/87/47/395948747.db2.gz VQRXIDJBDQKSKH-SNVBAGLBSA-N -1 0 300.326 0.822 10 0 DCAERM CCN(CCO)c1nn(-c2cccc(OC)c2)nc1C(=O)[O-] ZINC000256048315 396033675 /nfs/dbraw/zinc/03/36/75/396033675.db2.gz SDBSMXIYOLMHSC-UHFFFAOYSA-N -1 0 306.322 0.793 10 0 DCAERM CC(C)(CO)CNc1nc[n-]c(=O)c1I ZINC000165315068 396087958 /nfs/dbraw/zinc/08/79/58/396087958.db2.gz NQTYBZINNVIJDA-UHFFFAOYSA-N -1 0 323.134 0.805 10 0 DCAERM Cc1ncc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])s1 ZINC000278565638 396131673 /nfs/dbraw/zinc/13/16/73/396131673.db2.gz BVPSCTDZDRQLNM-MUWHJKNJSA-N -1 0 306.365 0.314 10 0 DCAERM O=c1[n-]c(C[C@@H]2CCOC2)ncc1I ZINC000160812719 396075017 /nfs/dbraw/zinc/07/50/17/396075017.db2.gz FCTLXPSWAUSFMO-LURJTMIESA-N -1 0 306.103 0.954 10 0 DCAERM COc1cncc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000263249861 396209374 /nfs/dbraw/zinc/20/93/74/396209374.db2.gz SQSFJNMUDWUQGK-CABZTGNLSA-N -1 0 314.363 0.964 10 0 DCAERM COC[C@]1(C(=O)[O-])CCCN(C(=O)COCC(F)(F)F)C1 ZINC000262857361 396187961 /nfs/dbraw/zinc/18/79/61/396187961.db2.gz IIUDXVGNRFYOQW-NSHDSACASA-N -1 0 313.272 0.905 10 0 DCAERM O=C([O-])[C@]1(NC(=O)c2cc(-n3cccn3)ccn2)CCSC1 ZINC000262916124 396191238 /nfs/dbraw/zinc/19/12/38/396191238.db2.gz IANILKOZQNDONA-AWEZNQCLSA-N -1 0 318.358 0.957 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000262947403 396194022 /nfs/dbraw/zinc/19/40/22/396194022.db2.gz MCVXABGOQHKIQG-VIFPVBQESA-N -1 0 322.317 0.515 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263468028 396218200 /nfs/dbraw/zinc/21/82/00/396218200.db2.gz RIMRGXPMGGKORX-MNOVXSKESA-N -1 0 320.411 0.418 10 0 DCAERM [O-]c1nnn(-c2ccccc2)c1CN1CCO[C@@]2(CCOC2)C1 ZINC000184282180 396289309 /nfs/dbraw/zinc/28/93/09/396289309.db2.gz IONHECIJWQFIIR-INIZCTEOSA-N -1 0 316.361 0.964 10 0 DCAERM COCC(=O)NC1CN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000186309873 396347439 /nfs/dbraw/zinc/34/74/39/396347439.db2.gz XQJVEJMYOWEGQG-UHFFFAOYSA-N -1 0 300.261 0.257 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000312803278 396766468 /nfs/dbraw/zinc/76/64/68/396766468.db2.gz QQUCCMJULWTWOB-ZCFIWIBFSA-N -1 0 321.273 0.265 10 0 DCAERM CO[C@H]1CN(C(=O)c2c(Cl)cnn2C)[C@](C)(C(=O)[O-])C1 ZINC000630314676 396982337 /nfs/dbraw/zinc/98/23/37/396982337.db2.gz CQJVVKDRFISGGF-KRTXAFLBSA-N -1 0 301.730 0.778 10 0 DCAERM CCn1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2C2CC2)ccc1=O ZINC000630660799 397073136 /nfs/dbraw/zinc/07/31/36/397073136.db2.gz YYTUIUFJWBHMTC-OLZOCXBDSA-N -1 0 319.361 0.887 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC[C@@H]1CCC(=O)[O-] ZINC000383340764 397277113 /nfs/dbraw/zinc/27/71/13/397277113.db2.gz WGFKUCISGMCUAE-SNVBAGLBSA-N -1 0 307.368 0.599 10 0 DCAERM O=S(=O)(CC(F)(F)F)[N-][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000408315505 397352933 /nfs/dbraw/zinc/35/29/33/397352933.db2.gz IHTARTQONQPNPN-IUCAKERBSA-N -1 0 303.302 0.806 10 0 DCAERM Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000037462053 157987466 /nfs/dbraw/zinc/98/74/66/157987466.db2.gz MLCADJUXKBEUDT-VHSXEESVSA-N -1 0 319.766 0.857 10 0 DCAERM C[C@H](CN(C)C(=O)[C@@H]1CCCN1c1nccs1)c1nnn[n-]1 ZINC000124357694 158241001 /nfs/dbraw/zinc/24/10/01/158241001.db2.gz YFTZUUDZCKSLFZ-ZJUUUORDSA-N -1 0 321.410 0.887 10 0 DCAERM CCOC(=O)[C@H]1CCCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000127716861 158275251 /nfs/dbraw/zinc/27/52/51/158275251.db2.gz BIHQMMUZFNIYQR-MRVPVSSYSA-N -1 0 318.317 0.801 10 0 DCAERM O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)Cn2cnnn2)C1 ZINC000180344552 158477487 /nfs/dbraw/zinc/47/74/87/158477487.db2.gz MMLLJPQSGXTBPA-CHWSQXEVSA-N -1 0 315.333 0.390 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N[C@H]1Cc2ccccc2[C@H]1O ZINC000195286793 158608669 /nfs/dbraw/zinc/60/86/69/158608669.db2.gz CXTKLAQLGULVLE-VHSXEESVSA-N -1 0 310.297 0.631 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000262393606 158808540 /nfs/dbraw/zinc/80/85/40/158808540.db2.gz BPNUSYRSRNWUML-XQQFMLRXSA-N -1 0 324.377 0.336 10 0 DCAERM CO[C@@H](CNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1)C(=O)[O-] ZINC000263110792 158857661 /nfs/dbraw/zinc/85/76/61/158857661.db2.gz PSDCFFMUPKYBQL-HQJQHLMTSA-N -1 0 303.261 0.948 10 0 DCAERM CNS(=O)(=O)c1csc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000263346016 158874267 /nfs/dbraw/zinc/87/42/67/158874267.db2.gz TZXKWICDZNYBBE-KNVOCYPGSA-N -1 0 318.376 0.249 10 0 DCAERM C[C@@]1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCCNC1=O ZINC000329082103 159058891 /nfs/dbraw/zinc/05/88/91/159058891.db2.gz SDOHVHZXKGWWKF-YMTOWFKASA-N -1 0 307.354 0.973 10 0 DCAERM CC1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)CC1 ZINC000408069459 160027933 /nfs/dbraw/zinc/02/79/33/160027933.db2.gz BMWVABUJVVSYMR-LLVKDONJSA-N -1 0 321.381 0.822 10 0 DCAERM CC(C)(C)c1n[nH]cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408133754 160044421 /nfs/dbraw/zinc/04/44/21/160044421.db2.gz QNBBHEQEDAHZQJ-VIFPVBQESA-N -1 0 315.395 0.946 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408146480 160047851 /nfs/dbraw/zinc/04/78/51/160047851.db2.gz PGYQDHHXYXWBCB-WDEREUQCSA-N -1 0 315.395 0.739 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408249859 160069093 /nfs/dbraw/zinc/06/90/93/160069093.db2.gz CYTLBTYAPIGCMY-STQMWFEESA-N -1 0 318.439 0.733 10 0 DCAERM Cc1[nH]nc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)c1C ZINC000408247464 160069453 /nfs/dbraw/zinc/06/94/53/160069453.db2.gz OOJFXSWCGJXFLD-SNVBAGLBSA-N -1 0 301.368 0.513 10 0 DCAERM CC1(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000408348676 160089802 /nfs/dbraw/zinc/08/98/02/160089802.db2.gz DBYMXJDHIMFWBU-UHFFFAOYSA-N -1 0 311.319 0.025 10 0 DCAERM CC(C)[C@H]1CCO[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408445636 160109232 /nfs/dbraw/zinc/10/92/32/160109232.db2.gz AVSNTSUKHQTLCS-IJLUTSLNSA-N -1 0 305.396 0.673 10 0 DCAERM O=C([N-]S(=O)(=O)C1CCC1)c1cnc2c(c1)NC(=O)CO2 ZINC000408482680 160117614 /nfs/dbraw/zinc/11/76/14/160117614.db2.gz IIYIVTYDSWMWIN-UHFFFAOYSA-N -1 0 311.319 0.025 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)cnn1C ZINC000408487203 160118247 /nfs/dbraw/zinc/11/82/47/160118247.db2.gz VHHKEVWCZAWPGE-SECBINFHSA-N -1 0 323.378 0.062 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCO[C@@H]2C(C)C)cnn1C ZINC000408488901 160118971 /nfs/dbraw/zinc/11/89/71/160118971.db2.gz ZGDIOTDCLKTHPS-CMPLNLGQSA-N -1 0 315.395 0.595 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccc2ccncc2n1 ZINC000408503297 160120376 /nfs/dbraw/zinc/12/03/76/160120376.db2.gz VNEGYWXEDHCWLY-NSHDSACASA-N -1 0 321.358 0.868 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000070310846 298368127 /nfs/dbraw/zinc/36/81/27/298368127.db2.gz HSIGWQZZZBBNBT-KKFJDGPESA-N -1 0 300.380 0.810 10 0 DCAERM CCOC(=O)c1cn(C)nc1S(=O)(=O)[N-]c1ccccn1 ZINC000033895587 415186001 /nfs/dbraw/zinc/18/60/01/415186001.db2.gz XMFYKSLMYIDOFR-UHFFFAOYSA-N -1 0 310.335 0.793 10 0 DCAERM CC(C)OCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299922411 416071478 /nfs/dbraw/zinc/07/14/78/416071478.db2.gz SQGYUYWBFFHVGD-SRVKXCTJSA-N -1 0 305.396 0.926 10 0 DCAERM Cn1cnc(-c2ccc(C(=O)NC3(c4nnn[n-]4)CC3)cc2)n1 ZINC000357051605 416026642 /nfs/dbraw/zinc/02/66/42/416026642.db2.gz IQAGAUSUJJFQNV-UHFFFAOYSA-N -1 0 310.321 0.414 10 0 DCAERM COc1cc(C)c(C(=O)NC2(c3nnn[n-]3)CC2)cc1OC ZINC000357051319 416027533 /nfs/dbraw/zinc/02/75/33/416027533.db2.gz PMCGKFBHDUBRGL-UHFFFAOYSA-N -1 0 303.322 0.944 10 0 DCAERM CC(C)Cn1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1 ZINC000359492771 416348100 /nfs/dbraw/zinc/34/81/00/416348100.db2.gz ACWXQTZABXTXAE-UHFFFAOYSA-N -1 0 312.355 0.313 10 0 DCAERM CCCc1nc(=N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)s[n-]1 ZINC000360047058 416368264 /nfs/dbraw/zinc/36/82/64/416368264.db2.gz JAWQKDLVKVMJIF-RKDXNWHRSA-N -1 0 314.411 0.781 10 0 DCAERM CN(C)c1ncccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000532793588 416457176 /nfs/dbraw/zinc/45/71/76/416457176.db2.gz GUGAEKKNXPXXCG-JTQLQIEISA-N -1 0 301.354 0.681 10 0 DCAERM CCn1ncc2cc(C(=O)NC3(c4nnn[n-]4)CC3)c(C)nc21 ZINC000442751403 416712606 /nfs/dbraw/zinc/71/26/06/416712606.db2.gz PZEYMMXOBKCZBE-UHFFFAOYSA-N -1 0 312.337 0.692 10 0 DCAERM C[C@@H]1CCN(C(=O)NCC2([S@@](C)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000517560685 416809874 /nfs/dbraw/zinc/80/98/74/416809874.db2.gz SSZLBGDSVNLFPB-ZJNREGCTSA-N -1 0 302.396 0.650 10 0 DCAERM C[C@@]1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CCCNC1=O ZINC000376972533 417044849 /nfs/dbraw/zinc/04/48/49/417044849.db2.gz RFJBSXOBXCUHPS-OAHLLOKOSA-N -1 0 316.317 0.885 10 0 DCAERM NS(=O)(=O)N1CCO[C@@H](c2cccc(C(=O)[O-])c2)CC1 ZINC000616665103 417090042 /nfs/dbraw/zinc/09/00/42/417090042.db2.gz LTZOQPLCLIWBCL-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCCO[C@@H](c2nnn[n-]2)C1 ZINC000616657510 417090845 /nfs/dbraw/zinc/09/08/45/417090845.db2.gz CDXAJATTXSQCQV-LLVKDONJSA-N -1 0 309.351 0.352 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)s2)C1 ZINC000530154876 417546328 /nfs/dbraw/zinc/54/63/28/417546328.db2.gz WOQQPXBYOFPKRA-JTQLQIEISA-N -1 0 306.365 0.316 10 0 DCAERM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000575082946 417509332 /nfs/dbraw/zinc/50/93/32/417509332.db2.gz JYBMQZNJTTYUSU-NXEZZACHSA-N -1 0 321.395 0.558 10 0 DCAERM O=c1nc2[nH]cc(S(=O)(=O)NCCCC3CC3)cc-2c(=O)[n-]1 ZINC000531450769 272761849 /nfs/dbraw/zinc/76/18/49/272761849.db2.gz HLQOVCZKZLEFQN-UHFFFAOYSA-N -1 0 324.362 0.905 10 0 DCAERM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)cc1C ZINC000547903781 288090144 /nfs/dbraw/zinc/09/01/44/288090144.db2.gz KAMUDPOWVLKSFJ-SNVBAGLBSA-N -1 0 305.327 0.854 10 0 DCAERM CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N1CCC[C@@H]1C ZINC000548230395 288123081 /nfs/dbraw/zinc/12/30/81/288123081.db2.gz VUFHXDGSLABPNB-RYUDHWBXSA-N -1 0 322.427 0.775 10 0 DCAERM CN1C(=O)N[C@@H]2CN(C(=O)c3cc(F)c([O-])c(F)c3)CC[C@@H]21 ZINC000286545892 289851701 /nfs/dbraw/zinc/85/17/01/289851701.db2.gz YWXNJTNBRBRTDZ-MNOVXSKESA-N -1 0 311.288 0.909 10 0 DCAERM NS(=O)(=O)c1ccc(N2CC(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000263550658 303443322 /nfs/dbraw/zinc/44/33/22/303443322.db2.gz KOOLQKYTXCMXGS-UHFFFAOYSA-N -1 0 324.280 0.874 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000583176615 337255196 /nfs/dbraw/zinc/25/51/96/337255196.db2.gz UASZMYOKGILFAM-RQJHMYQMSA-N -1 0 304.290 0.711 10 0 DCAERM Cc1cc(S(=O)(=O)CC2CCC2)c(N)c(=O)n1CC(=O)[O-] ZINC000584656652 337378079 /nfs/dbraw/zinc/37/80/79/337378079.db2.gz QWZKQXNCYQJLOF-UHFFFAOYSA-N -1 0 314.363 0.397 10 0 DCAERM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)cn1 ZINC000179041479 534750521 /nfs/dbraw/zinc/75/05/21/534750521.db2.gz DYYSNRWDBUVNMF-UHFFFAOYSA-N -1 0 309.351 0.072 10 0 DCAERM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCO[C@H]1C ZINC000149343326 545811067 /nfs/dbraw/zinc/81/10/67/545811067.db2.gz BIOIFSLXPXWGDN-WPRPVWTQSA-N -1 0 315.347 0.855 10 0 DCAERM C[C@@H](CC(=O)[O-])CC(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000675077071 547658724 /nfs/dbraw/zinc/65/87/24/547658724.db2.gz WZOLIXJRUYHSCJ-UBJLHIIHSA-N -1 0 303.380 0.712 10 0 DCAERM CO[C@H]1CC[C@H]1N(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000724191732 658042754 /nfs/dbraw/zinc/04/27/54/658042754.db2.gz HNTZGNODBLJWON-RQJHMYQMSA-N -1 0 306.365 0.639 10 0 DCAERM Cc1csc(C)c1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000725092840 658133546 /nfs/dbraw/zinc/13/35/46/658133546.db2.gz XWRXDSXDRZZKGG-VIFPVBQESA-N -1 0 305.377 0.839 10 0 DCAERM C=CCS(=O)(=O)/N=C(\[O-])c1cnc2c(C)cccn2c1=O ZINC000091112108 658246348 /nfs/dbraw/zinc/24/63/48/658246348.db2.gz AKSKGZOOMDQTSZ-UHFFFAOYSA-N -1 0 307.331 0.823 10 0 DCAERM Cn1cnc(S(=O)(=O)N2CCC(F)(F)[C@@H](C(=O)[O-])C2)c1 ZINC000285041899 658328504 /nfs/dbraw/zinc/32/85/04/658328504.db2.gz JDKNSTVCTKISSD-SSDOTTSWSA-N -1 0 309.294 0.151 10 0 DCAERM CN([C@H]1CCSC1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000311662925 659351090 /nfs/dbraw/zinc/35/10/90/659351090.db2.gz WURPGFCARYSDRZ-VIFPVBQESA-N -1 0 302.377 0.906 10 0 DCAERM CCC[C@@H](CNC(=O)[C@H]1CSCN1C(=O)CC)C(=O)[O-] ZINC000263220304 662657849 /nfs/dbraw/zinc/65/78/49/662657849.db2.gz QOCUTHDHZMGQPU-VHSXEESVSA-N -1 0 302.396 0.915 10 0 DCAERM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCOC[C@H]1CO ZINC000912414983 664168720 /nfs/dbraw/zinc/16/87/20/664168720.db2.gz ALGIXXFFOZLPAY-GFCCVEGCSA-N -1 0 303.318 0.411 10 0 DCAERM CC[S@](=O)CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000733879902 666823578 /nfs/dbraw/zinc/82/35/78/666823578.db2.gz SDEUDHJKTBEOGA-IBGZPJMESA-N -1 0 318.420 0.557 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)NCCN1CCSCC1 ZINC000227401454 664534139 /nfs/dbraw/zinc/53/41/39/664534139.db2.gz QWYHWFUMMRDLLR-CYBMUJFWSA-N -1 0 301.412 0.684 10 0 DCAERM O=C([O-])C1(C(=O)NC[C@H]2CSCCS2)CCOCC1 ZINC000701766264 666875384 /nfs/dbraw/zinc/87/53/84/666875384.db2.gz GVXQSYBUPARCTD-VIFPVBQESA-N -1 0 305.421 0.833 10 0 DCAERM CN(CCS(C)(=O)=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000704671327 667248429 /nfs/dbraw/zinc/24/84/29/667248429.db2.gz GBTYVQYYPKSMIZ-JTQLQIEISA-N -1 0 306.384 0.173 10 0 DCAERM O=C([O-])[C@]1(N2CCN(C(=O)C(C3CC3)C3CC3)CC2)CCOC1 ZINC000886077518 667729246 /nfs/dbraw/zinc/72/92/46/667729246.db2.gz CTGZNYVKZKZXED-KRWDZBQOSA-N -1 0 322.405 0.811 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000124539138 668085241 /nfs/dbraw/zinc/08/52/41/668085241.db2.gz HZGCNRXZEHQIQX-LBPRGKRZSA-N -1 0 303.428 0.708 10 0 DCAERM O=C([N-]S(=O)(=O)Cc1ccon1)c1cn2ccnc2s1 ZINC000190821820 669932171 /nfs/dbraw/zinc/93/21/71/669932171.db2.gz VQALGQLKZSKGDB-UHFFFAOYSA-N -1 0 312.332 0.644 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccnn2C)cc1 ZINC000159620757 669940189 /nfs/dbraw/zinc/94/01/89/669940189.db2.gz FBQOVMMBBKJTON-UHFFFAOYSA-N -1 0 307.331 0.741 10 0 DCAERM CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)C2CCCC2)n1 ZINC000192434507 670165218 /nfs/dbraw/zinc/16/52/18/670165218.db2.gz BHVVFAVVBDLJIB-UHFFFAOYSA-N -1 0 316.339 0.813 10 0 DCAERM O=C([O-])[C@@H]1CC=C[C@@H](NS(=O)(=O)c2cncc(F)c2)C1 ZINC000714180336 670179951 /nfs/dbraw/zinc/17/99/51/670179951.db2.gz TWQTUSZUWZFKKF-PSASIEDQSA-N -1 0 300.311 0.918 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCOC[C@@H]2C)c1 ZINC000192791479 670187669 /nfs/dbraw/zinc/18/76/69/670187669.db2.gz RETMNNPWYQJVLC-WDEREUQCSA-N -1 0 315.395 0.942 10 0 DCAERM C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715268836 670206439 /nfs/dbraw/zinc/20/64/39/670206439.db2.gz JVGJUPJFYOAFBJ-IWSPIJDZSA-N -1 0 312.338 0.661 10 0 DCAERM O=C([O-])CN(CC1CC1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000036884517 670206919 /nfs/dbraw/zinc/20/69/19/670206919.db2.gz QXDQOHJAAOJWFT-SNVBAGLBSA-N -1 0 321.420 0.230 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccncc1Cl ZINC000715770132 670221833 /nfs/dbraw/zinc/22/18/33/670221833.db2.gz OLQNFPDRQBLKDS-UHFFFAOYSA-N -1 0 300.698 0.825 10 0 DCAERM CC(C)(C)OC(=O)N1CC(CC(=O)[O-])(N2CC[C@H]2C(N)=O)C1 ZINC000757139865 670353983 /nfs/dbraw/zinc/35/39/83/670353983.db2.gz CSVNQMNZBVOVEE-VIFPVBQESA-N -1 0 313.354 0.010 10 0 DCAERM O=C([O-])Cc1csc(CNS(=O)(=O)N2CCCC2)n1 ZINC000719104463 685308794 /nfs/dbraw/zinc/30/87/94/685308794.db2.gz ZWFHRBUEQNYSNS-UHFFFAOYSA-N -1 0 305.381 0.200 10 0 DCAERM CO[C@]1(CNC(=O)C2(C(=O)[O-])CCOCC2)CCSC1 ZINC000719269049 685309332 /nfs/dbraw/zinc/30/93/32/685309332.db2.gz LQQLFEGHVAMPOF-LBPRGKRZSA-N -1 0 303.380 0.506 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000720406380 685313728 /nfs/dbraw/zinc/31/37/28/685313728.db2.gz AEKKVUKQBJOURM-QWRGUYRKSA-N 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O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693391441 976615916 /nfs/dbraw/zinc/61/59/16/976615916.db2.gz FNYWYPBCLDTIMK-UAFTUNJCSA-N -1 0 307.278 0.430 10 0 DCAERM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000699160335 976910369 /nfs/dbraw/zinc/91/03/69/976910369.db2.gz DJDUSQQXODCXFE-MXWKQRLJSA-N -1 0 301.364 0.133 10 0 DCAERM Cc1n[nH]cc1S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092436330 185318135 /nfs/dbraw/zinc/31/81/35/185318135.db2.gz NTKLRNNGCPLRNF-UHFFFAOYSA-N -1 0 301.246 0.356 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N(CCC(=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000037591820 545646171 /nfs/dbraw/zinc/64/61/71/545646171.db2.gz NKSIKNLOXPTRID-NXEZZACHSA-N -1 0 306.384 0.280 10 0 DCAERM O=C([O-])CCN1N=C(c2nc(-c3cccnc3)no2)CCC1=O ZINC000073738189 191350755 /nfs/dbraw/zinc/35/07/55/191350755.db2.gz KCMHVUKWXHEOEL-UHFFFAOYSA-N -1 0 315.289 0.933 10 0 DCAERM CN1CC[C@@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CC1=O ZINC000180247234 199135793 /nfs/dbraw/zinc/13/57/93/199135793.db2.gz VZOPBKKGLMEQIG-GFCCVEGCSA-N -1 0 304.346 0.912 10 0 DCAERM CCCS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000263024364 283415834 /nfs/dbraw/zinc/41/58/34/283415834.db2.gz QLWNHDPNGSAZMS-UMNHJUIQSA-N -1 0 303.380 0.523 10 0 DCAERM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCN(CCO)CC1 ZINC000184243204 237287139 /nfs/dbraw/zinc/28/71/39/237287139.db2.gz LYWBAALEEOAXOF-UHFFFAOYSA-N -1 0 302.733 0.935 10 0 DCAERM CN1CCN(c2cc(NCCC(C)(C)C(=O)[O-])ncn2)CC1=O ZINC000424379979 240258146 /nfs/dbraw/zinc/25/81/46/240258146.db2.gz WMKUUGZYLSVQOA-UHFFFAOYSA-N -1 0 321.381 0.668 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000275204419 212193573 /nfs/dbraw/zinc/19/35/73/212193573.db2.gz BNJULOKIOWSJLY-UHFFFAOYSA-N -1 0 307.755 0.716 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCS[C@H]3COCC[C@H]32)O1 ZINC000262290489 304193499 /nfs/dbraw/zinc/19/34/99/304193499.db2.gz LBCBWICJFBAOMO-YTWAJWBKSA-N -1 0 301.364 0.352 10 0 DCAERM CS(=O)(=O)CCn1c(SCC(=O)[O-])nnc1C1CC1 ZINC000037750878 182923031 /nfs/dbraw/zinc/92/30/31/182923031.db2.gz YVZUQTCEAJRFRT-UHFFFAOYSA-N -1 0 305.381 0.377 10 0 DCAERM COC[C@H](O)CN(C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000042510315 183278893 /nfs/dbraw/zinc/27/88/93/183278893.db2.gz AMXJYXSRORHLMZ-SSDOTTSWSA-N -1 0 309.365 0.074 10 0 DCAERM C[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCCO1 ZINC000134675388 545801847 /nfs/dbraw/zinc/80/18/47/545801847.db2.gz VNWXTFNNKDQQMS-BQBZGAKWSA-N -1 0 306.365 0.687 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC(=O)[O-])cc1 ZINC000036967769 395725143 /nfs/dbraw/zinc/72/51/43/395725143.db2.gz SDGVWNJCHBGUCF-MRVPVSSYSA-N -1 0 300.336 0.188 10 0 DCAERM Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000037376966 395726787 /nfs/dbraw/zinc/72/67/87/395726787.db2.gz OAGDZGJVDNUWQT-VHSXEESVSA-N -1 0 303.311 0.343 10 0 DCAERM CC(C)Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000037420072 395727195 /nfs/dbraw/zinc/72/71/95/395727195.db2.gz RORFUNPKEIBHPZ-ZWNOBZJWSA-N -1 0 315.391 0.997 10 0 DCAERM CCCCCCCCO[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O ZINC000106384743 395782482 /nfs/dbraw/zinc/78/24/82/395782482.db2.gz SYLNWYZPTDDGMH-DKKFBCOVSA-N -1 0 306.355 0.256 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000195100765 395815927 /nfs/dbraw/zinc/81/59/27/395815927.db2.gz CQCRMPYFSYFGIY-QMMMGPOBSA-N -1 0 312.317 0.986 10 0 DCAERM CCOC(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000049064077 395827461 /nfs/dbraw/zinc/82/74/61/395827461.db2.gz MWEOQIDRTHVNHM-UHFFFAOYSA-N -1 0 317.319 0.785 10 0 DCAERM COCCN(CCOC)C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000128405850 395918082 /nfs/dbraw/zinc/91/80/82/395918082.db2.gz SYEQGKYEWJLBDQ-VXGBXAGGSA-N -1 0 302.371 0.886 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)N2CCCCCC2)C(=O)[O-])cn1 ZINC000130821636 395924072 /nfs/dbraw/zinc/92/40/72/395924072.db2.gz OCQQUJHQZHMBCE-NSHDSACASA-N -1 0 316.383 0.256 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C[C@@H](C)O1 ZINC000228496589 395872113 /nfs/dbraw/zinc/87/21/13/395872113.db2.gz APWJEHAGIGTOHO-GMTAPVOTSA-N -1 0 322.427 0.819 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NC[C@H](C)CC(=O)[O-] ZINC000147270930 395966754 /nfs/dbraw/zinc/96/67/54/395966754.db2.gz WFRFEWNNVCNWLD-SSDOTTSWSA-N -1 0 321.376 0.924 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000249439743 396008438 /nfs/dbraw/zinc/00/84/38/396008438.db2.gz FKSVNFGARRMEJK-RKDXNWHRSA-N -1 0 302.318 0.884 10 0 DCAERM CCNC(=O)C[N-]S(=O)(=O)[C@@H]([C@@H]1CCCO1)C(F)(F)F ZINC000170603693 396094978 /nfs/dbraw/zinc/09/49/78/396094978.db2.gz CBUOLBVFAKSKEX-CBAPKCEASA-N -1 0 318.317 0.152 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)Cn1cnc2sccc2c1=O ZINC000070311337 396101142 /nfs/dbraw/zinc/10/11/42/396101142.db2.gz XPIOXQSNYBKRCG-QMMMGPOBSA-N -1 0 309.347 0.828 10 0 DCAERM CCNC(=O)CCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262453690 396141996 /nfs/dbraw/zinc/14/19/96/396141996.db2.gz UZEDBKCFQUTKGR-XHDPSFHLSA-N -1 0 312.366 0.243 10 0 DCAERM C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@@H](C(=O)[O-])O1 ZINC000262175407 396106865 /nfs/dbraw/zinc/10/68/65/396106865.db2.gz PQLQBZSOXZLILP-ZJUUUORDSA-N -1 0 319.379 0.044 10 0 DCAERM COCCOCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263218973 396206836 /nfs/dbraw/zinc/20/68/36/396206836.db2.gz OQOOTIKCHPLOOE-QWRGUYRKSA-N -1 0 309.384 0.164 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263253273 396209297 /nfs/dbraw/zinc/20/92/97/396209297.db2.gz TUDBWHOVGJFOGX-NXEZZACHSA-N -1 0 301.368 0.602 10 0 DCAERM CCC[C@H](NC(=O)c1ccc2nnn(C)c2c1)c1nnn[n-]1 ZINC000183068661 396260130 /nfs/dbraw/zinc/26/01/30/396260130.db2.gz MDCANCVZMQMBBE-JTQLQIEISA-N -1 0 300.326 0.753 10 0 DCAERM CN(CCC(N)=O)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263446224 396217089 /nfs/dbraw/zinc/21/70/89/396217089.db2.gz FZEYZTRQVBBORD-CYBMUJFWSA-N -1 0 321.377 0.979 10 0 DCAERM Cc1cccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c1F ZINC000313212812 396767609 /nfs/dbraw/zinc/76/76/09/396767609.db2.gz VATYGKDBIKPNOZ-DTWKUNHWSA-N -1 0 303.311 0.343 10 0 DCAERM CNS(=O)(=O)C[C@@H]1CCCN(c2cccc(C(=O)[O-])n2)C1 ZINC000629770861 396827025 /nfs/dbraw/zinc/82/70/25/396827025.db2.gz CSJSCTVELAXUAN-SNVBAGLBSA-N -1 0 313.379 0.545 10 0 DCAERM Cn1cc(N2[C@H](C(=O)[O-])CC[C@H]2C(=O)NC2(C3CC3)CC2)cn1 ZINC000630663769 397074514 /nfs/dbraw/zinc/07/45/14/397074514.db2.gz CWWMWBCSOGGSEK-STQMWFEESA-N -1 0 318.377 0.901 10 0 DCAERM CCOCCS(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F ZINC000383522542 397278597 /nfs/dbraw/zinc/27/85/97/397278597.db2.gz IRGSQWYQGIUOAO-MRVPVSSYSA-N -1 0 321.317 0.986 10 0 DCAERM O=C([O-])CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000398260200 397312945 /nfs/dbraw/zinc/31/29/45/397312945.db2.gz UDBUQDVEQJDIIO-UHFFFAOYSA-N -1 0 300.292 0.880 10 0 DCAERM CO[C@H](C)c1nc(=N[C@@H]2CCN(S(C)(=O)=O)C2)s[n-]1 ZINC000400250568 397318237 /nfs/dbraw/zinc/31/82/37/397318237.db2.gz BWRZODYMIGGZHN-HTQZYQBOSA-N -1 0 306.413 0.113 10 0 DCAERM O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1cccs1 ZINC000123603360 158231939 /nfs/dbraw/zinc/23/19/39/158231939.db2.gz BDHAZJWXQCOEQM-LLVKDONJSA-N -1 0 302.421 0.890 10 0 DCAERM Cc1ccnc2nc(C(=O)N[C@@H](C(=O)[O-])[C@H]3CCCOC3)nn21 ZINC000262711729 158835126 /nfs/dbraw/zinc/83/51/26/158835126.db2.gz CRYCFHMPPJFXLO-VHSXEESVSA-N -1 0 319.321 0.042 10 0 DCAERM C[C@H](CC(=O)[O-])NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000262953664 158850594 /nfs/dbraw/zinc/85/05/94/158850594.db2.gz JDFOEPQNSLXSGL-SECBINFHSA-N -1 0 303.318 0.455 10 0 DCAERM O=C([O-])C[C@@H]1COCCN1C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000263253224 158865811 /nfs/dbraw/zinc/86/58/11/158865811.db2.gz FENNLIGPKSRXPY-SECBINFHSA-N -1 0 305.290 0.985 10 0 DCAERM Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NS(=O)(=O)C1COC1 ZINC000330165090 159147348 /nfs/dbraw/zinc/14/73/48/159147348.db2.gz UIEFJRRBEUREQD-AAEUAGOBSA-N -1 0 315.395 0.185 10 0 DCAERM Cc1cc2c[nH]nc2c(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000408382961 160096658 /nfs/dbraw/zinc/09/66/58/160096658.db2.gz FXXATQQIDBCGSE-SNVBAGLBSA-N -1 0 309.347 0.720 10 0 DCAERM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)[C@H]3CCCOC3)cc21 ZINC000408459019 160112621 /nfs/dbraw/zinc/11/26/21/160112621.db2.gz WLQPZBVRFLNYKV-JTQLQIEISA-N -1 0 324.362 0.207 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)[C@H]1C[C@]12CCc1ccccc12 ZINC000408479938 160117648 /nfs/dbraw/zinc/11/76/48/160117648.db2.gz VAHHUOXGNYTVNS-HIFRSBDPSA-N -1 0 307.371 0.735 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)C2COC2)oc2c1C(=O)CCC2 ZINC000408481048 160117865 /nfs/dbraw/zinc/11/78/65/160117865.db2.gz XJMOOZLCWSCYNJ-UHFFFAOYSA-N -1 0 313.331 0.565 10 0 DCAERM Cc1cc(C(=O)[N-]S(=O)(=O)C2COC2)nn1[C@H](C)C1CC1 ZINC000408479618 160117903 /nfs/dbraw/zinc/11/79/03/160117903.db2.gz URJNRZOVGMJWHJ-SECBINFHSA-N -1 0 313.379 0.621 10 0 DCAERM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)cn1 ZINC000408482626 160117944 /nfs/dbraw/zinc/11/79/44/160117944.db2.gz KZQHLEUBKSMQFB-WCQGTBRESA-N -1 0 312.347 0.320 10 0 DCAERM Cc1oc(Br)cc1C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408496181 160119629 /nfs/dbraw/zinc/11/96/29/160119629.db2.gz GKKWYSMIOJOKIT-UHFFFAOYSA-N -1 0 324.152 0.809 10 0 DCAERM CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)O2)cn1C ZINC000408496334 160119775 /nfs/dbraw/zinc/11/97/75/160119775.db2.gz HLIUPXXOVLKWLM-UWVGGRQHSA-N -1 0 315.395 0.916 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cn2c(n1)CCC2 ZINC000408501962 160120501 /nfs/dbraw/zinc/12/05/01/160120501.db2.gz ROBXCXKSYQZXIA-UHFFFAOYSA-N -1 0 310.335 0.553 10 0 DCAERM CCOC1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000040689919 415197884 /nfs/dbraw/zinc/19/78/84/415197884.db2.gz JTNUDFFOTHCOLJ-UHFFFAOYSA-N -1 0 303.340 0.298 10 0 DCAERM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1C(=O)OC ZINC000044618082 415225761 /nfs/dbraw/zinc/22/57/61/415225761.db2.gz SBQDBJHQGITHOH-SNVBAGLBSA-N -1 0 315.347 0.957 10 0 DCAERM O=c1cc(CN2CCO[C@@H](Cn3cccn3)C2)nc2cc[n-]n21 ZINC000108867854 415681480 /nfs/dbraw/zinc/68/14/80/415681480.db2.gz YIVOCAAHNMKNDY-CYBMUJFWSA-N -1 0 314.349 0.120 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000127618496 415889936 /nfs/dbraw/zinc/88/99/36/415889936.db2.gz QQBIZNYOILBWOC-NWDGAFQWSA-N -1 0 304.412 0.486 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000133472685 415946158 /nfs/dbraw/zinc/94/61/58/415946158.db2.gz PYJFFANZGMTSCM-NXEZZACHSA-N -1 0 301.368 0.836 10 0 DCAERM C[C@H](CC(=O)NC1(c2nnn[n-]2)CC1)NC(=O)c1ccccc1 ZINC000357076857 416030132 /nfs/dbraw/zinc/03/01/32/416030132.db2.gz RGJDUQWSYZASFD-SNVBAGLBSA-N -1 0 314.349 0.514 10 0 DCAERM O=C([O-])COCCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000263488726 416338081 /nfs/dbraw/zinc/33/80/81/416338081.db2.gz WEDRECKESQOXQC-UHFFFAOYSA-N -1 0 322.239 0.854 10 0 DCAERM O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccc2cc[nH]c2n1 ZINC000359430384 416345602 /nfs/dbraw/zinc/34/56/02/416345602.db2.gz SVFKTJFQVSGKKL-UHFFFAOYSA-N -1 0 304.335 0.795 10 0 DCAERM O=C(NC1CCS(=O)(=O)CC1)c1c([O-])cc(F)cc1F ZINC000195301607 416325647 /nfs/dbraw/zinc/32/56/47/416325647.db2.gz ZVDKBWIIKBGRPR-UHFFFAOYSA-N -1 0 305.302 0.977 10 0 DCAERM Cc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(O)c1C ZINC000436938913 416577860 /nfs/dbraw/zinc/57/78/60/416577860.db2.gz LRTRZJAGUYEISF-UHFFFAOYSA-N -1 0 310.335 0.783 10 0 DCAERM CCCC(O)(CCC)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000440135382 416626496 /nfs/dbraw/zinc/62/64/96/416626496.db2.gz ONZLFEDUZUUTSX-UHFFFAOYSA-N -1 0 318.399 0.868 10 0 DCAERM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000530153268 417544670 /nfs/dbraw/zinc/54/46/70/417544670.db2.gz NLIBCMKMBBFEMM-SDCKUUTBSA-N -1 0 302.352 0.803 10 0 DCAERM CS(=O)(=O)CC1(CNC(=O)N(CC(=O)[O-])C2CCC2)CC1 ZINC000576454848 417611772 /nfs/dbraw/zinc/61/17/72/417611772.db2.gz MQNRGPTXXOGGBG-UHFFFAOYSA-N -1 0 318.395 0.460 10 0 DCAERM CC(C)[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000575985277 417568516 /nfs/dbraw/zinc/56/85/16/417568516.db2.gz DRBLTJIIVZHTQZ-SECBINFHSA-N -1 0 303.340 0.153 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000645975338 417837724 /nfs/dbraw/zinc/83/77/24/417837724.db2.gz YIXFHXRTRAZDQR-PSASIEDQSA-N -1 0 303.336 0.807 10 0 DCAERM Cn1cc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cn1 ZINC000299741485 229377195 /nfs/dbraw/zinc/37/71/95/229377195.db2.gz FFLXTEDITHVULU-RKDXNWHRSA-N -1 0 305.256 0.684 10 0 DCAERM Cn1cc(Br)cc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000392160226 262160966 /nfs/dbraw/zinc/16/09/66/262160966.db2.gz AGUUZKLNETYSNM-UHFFFAOYSA-N -1 0 315.127 0.436 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1ccc(Br)cn1 ZINC000392233345 262161229 /nfs/dbraw/zinc/16/12/29/262161229.db2.gz QRURXLKGBODMGV-UHFFFAOYSA-N -1 0 313.111 0.493 10 0 DCAERM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000547587277 288060437 /nfs/dbraw/zinc/06/04/37/288060437.db2.gz DZZUISAMQNUPHW-LLVKDONJSA-N -1 0 316.310 0.417 10 0 DCAERM Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000548533123 288151084 /nfs/dbraw/zinc/15/10/84/288151084.db2.gz AIDPKZYOIMSLPT-JOYOIKCWSA-N -1 0 317.338 0.902 10 0 DCAERM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N=c1nc(C(C)C)[n-]s1 ZINC000555494824 288352078 /nfs/dbraw/zinc/35/20/78/288352078.db2.gz NAWLSPQWGVXNGN-BDAKNGLRSA-N -1 0 314.411 0.952 10 0 DCAERM Cn1cc([C@H]([N-]S(=O)(=O)[C@H]2CCOC2)C(F)(F)F)cn1 ZINC000562614196 288586957 /nfs/dbraw/zinc/58/69/57/288586957.db2.gz PRRZERADTYTCOL-IUCAKERBSA-N -1 0 313.301 0.732 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000300299019 288744366 /nfs/dbraw/zinc/74/43/66/288744366.db2.gz OFNWPPCCWMSKRC-ONGXEEELSA-N -1 0 301.368 0.777 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)CN1C(=O)COc2ccccc21 ZINC000262153424 298367057 /nfs/dbraw/zinc/36/70/57/298367057.db2.gz NZMPNXSECIHJEG-SNVBAGLBSA-N -1 0 306.318 0.782 10 0 DCAERM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCCC2)c2ccccc2O1 ZINC000020005035 337086728 /nfs/dbraw/zinc/08/67/28/337086728.db2.gz IXZBPTSIQCCNOF-LBPRGKRZSA-N -1 0 312.347 0.679 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000576518293 341850487 /nfs/dbraw/zinc/85/04/87/341850487.db2.gz YCZYXPSPDAHAFC-NXEZZACHSA-N -1 0 307.368 0.312 10 0 DCAERM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)C1 ZINC000576630732 341855846 /nfs/dbraw/zinc/85/58/46/341855846.db2.gz ZUTIAKFRGMZQGI-LSCVPOLPSA-N -1 0 302.396 0.616 10 0 DCAERM CCN1C[C@H](C(=O)N(CC(=O)[O-])Cc2ccccc2)CC1=O ZINC000236911279 521727700 /nfs/dbraw/zinc/72/77/00/521727700.db2.gz CXXLDYMOCQWXLK-CYBMUJFWSA-N -1 0 304.346 0.968 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085976575 545706576 /nfs/dbraw/zinc/70/65/76/545706576.db2.gz TYFJZJPLJJIHTL-RYUDHWBXSA-N -1 0 320.411 0.169 10 0 DCAERM Cn1cc(S(=O)(=O)N2CCC(F)(F)[C@H](C(=O)[O-])C2)cn1 ZINC000285303363 546002303 /nfs/dbraw/zinc/00/23/03/546002303.db2.gz YLIMYQMGXQRJQV-QMMMGPOBSA-N -1 0 309.294 0.151 10 0 DCAERM Cc1csc(C)c1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000725091219 658134251 /nfs/dbraw/zinc/13/42/51/658134251.db2.gz HYRWLAVHXHPKSP-SECBINFHSA-N -1 0 305.377 0.839 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000020023436 659455766 /nfs/dbraw/zinc/45/57/66/659455766.db2.gz IUCADYVBSGYHIU-VWYCJHECSA-N -1 0 306.384 0.137 10 0 DCAERM COC(=O)C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000070141601 665755828 /nfs/dbraw/zinc/75/58/28/665755828.db2.gz CVIPHAAPHTXZMK-AEZGRPFRSA-N -1 0 313.331 0.593 10 0 DCAERM C[C@H](CNC(=O)Cn1nnc(-c2ccccc2)n1)CC(=O)[O-] ZINC000262287344 662298637 /nfs/dbraw/zinc/29/86/37/662298637.db2.gz ZTYLHXNFNMAJHY-JTQLQIEISA-N -1 0 303.322 0.567 10 0 DCAERM NC(=O)c1cc([C@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)n[nH]1 ZINC000263406842 662685647 /nfs/dbraw/zinc/68/56/47/662685647.db2.gz KYEFRAVLWMUOBQ-VIFPVBQESA-N -1 0 315.333 0.986 10 0 DCAERM Cc1cccc(CO[N-]C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)n1 ZINC000898930812 663114584 /nfs/dbraw/zinc/11/45/84/663114584.db2.gz IDQMVIVTEZFLSP-OLZOCXBDSA-N -1 0 307.350 0.574 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)C1 ZINC000251073507 663148755 /nfs/dbraw/zinc/14/87/55/663148755.db2.gz GCPJDTYACUYMSI-IJLUTSLNSA-N -1 0 320.411 0.169 10 0 DCAERM COc1ccc(C[C@@H](C)NC(=O)c2cc(=O)[nH][n-]2)cc1OC ZINC000732289853 664912370 /nfs/dbraw/zinc/91/23/70/664912370.db2.gz XPYMJDQCXMUROH-SECBINFHSA-N -1 0 305.334 0.627 10 0 DCAERM CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000263119849 665283446 /nfs/dbraw/zinc/28/34/46/665283446.db2.gz WYQKXPHMTJSQDQ-JBLDHEPKSA-N -1 0 303.380 0.521 10 0 DCAERM COCCCCS(=O)(=O)[N-]C(=O)Cc1csc(C)n1 ZINC000184564973 666233545 /nfs/dbraw/zinc/23/35/45/666233545.db2.gz GOTHSFKNBJMIOQ-UHFFFAOYSA-N -1 0 306.409 0.867 10 0 DCAERM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(F)(F)CN ZINC000186992889 666668195 /nfs/dbraw/zinc/66/81/95/666668195.db2.gz FWDZPKLDOHUTDS-UHFFFAOYSA-N -1 0 302.734 0.254 10 0 DCAERM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)C1CCCCC1 ZINC000733686138 666801698 /nfs/dbraw/zinc/80/16/98/666801698.db2.gz JQHVSGKVIBAOPJ-NSHDSACASA-N -1 0 305.396 0.961 10 0 DCAERM CC(=O)N1CSC[C@H]1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000448997276 667266294 /nfs/dbraw/zinc/26/62/94/667266294.db2.gz SUWJIGZLQKOVTO-SMDDNHRTSA-N -1 0 314.407 0.867 10 0 DCAERM O=C([O-])C1(O)CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000706457688 667413313 /nfs/dbraw/zinc/41/33/13/667413313.db2.gz ATRBEAJWLGKTQW-UHFFFAOYSA-N -1 0 309.702 0.299 10 0 DCAERM CCC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000036837565 670196479 /nfs/dbraw/zinc/19/64/79/670196479.db2.gz XQWMOYCZSPLGDL-VHSXEESVSA-N -1 0 306.384 0.028 10 0 DCAERM CCO[C@@]1(C(=O)NCc2ncc(C(=O)[O-])s2)CCOC1 ZINC000720654253 685314981 /nfs/dbraw/zinc/31/49/81/685314981.db2.gz DILSIIYCFFDONN-LBPRGKRZSA-N -1 0 300.336 0.653 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NCC[C@@H]2CCCO2)ccc1O ZINC000037981788 685056832 /nfs/dbraw/zinc/05/68/32/685056832.db2.gz ZYMRPPFRCIRKHI-VIFPVBQESA-N -1 0 315.347 0.938 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2)cc1 ZINC000180106530 685151099 /nfs/dbraw/zinc/15/10/99/685151099.db2.gz DJPMOHYHMFTPTD-UHFFFAOYSA-N -1 0 308.315 0.758 10 0 DCAERM CC(C)(CN=c1ccc(OC(F)F)n[n-]1)NS(C)(=O)=O ZINC000380901049 685237648 /nfs/dbraw/zinc/23/76/48/685237648.db2.gz HELMULVWOBQYPA-UHFFFAOYSA-N -1 0 310.326 0.240 10 0 DCAERM CC(=O)c1cccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000386526059 685249142 /nfs/dbraw/zinc/24/91/42/685249142.db2.gz YPTIMJBMILQJDI-CYBMUJFWSA-N -1 0 313.331 0.099 10 0 DCAERM CO[C@@H](CNC(=O)CCNC(=O)c1cccs1)C(=O)[O-] ZINC000227279804 1158752888 /nfs/dbraw/zinc/75/28/88/1158752888.db2.gz HANRSSMURZBCIN-QMMMGPOBSA-N -1 0 300.336 0.084 10 0 DCAERM COc1ccccc1OCC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000261673858 1184725352 /nfs/dbraw/zinc/72/53/52/1184725352.db2.gz LRSGNALAPCSPIK-QWRGUYRKSA-N -1 0 309.318 0.775 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000261692291 1184811658 /nfs/dbraw/zinc/81/16/58/1184811658.db2.gz NKKPFAGLSXQLNA-GHMZBOCLSA-N -1 0 307.302 0.772 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000261809221 1185159308 /nfs/dbraw/zinc/15/93/08/1185159308.db2.gz ZNWUURYXOVLHQB-JHJVBQTASA-N -1 0 305.330 0.938 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCc2nc(C(C)C)no2)C1 ZINC000262142149 1185162475 /nfs/dbraw/zinc/16/24/75/1185162475.db2.gz MESHSFGZRYVYDG-NXEZZACHSA-N -1 0 311.338 0.826 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000262216110 1185164236 /nfs/dbraw/zinc/16/42/36/1185164236.db2.gz YZEGJIBMTICUJT-QWRGUYRKSA-N -1 0 307.302 0.658 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000262547799 1185169732 /nfs/dbraw/zinc/16/97/32/1185169732.db2.gz RYSRNSGQJPVQGN-AAEUAGOBSA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@H](CNC(=O)c1sc(-c2cnn(C)c2)nc1C)C(=O)[O-] ZINC000263062450 1185175819 /nfs/dbraw/zinc/17/58/19/1185175819.db2.gz HTIRFWWNZAGBDG-SECBINFHSA-N -1 0 324.362 0.681 10 0 DCAERM CO[C@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)C(=O)[O-] ZINC000263131353 1185177298 /nfs/dbraw/zinc/17/72/98/1185177298.db2.gz SWTNVCJMXOAWPY-GFCCVEGCSA-N -1 0 306.318 0.865 10 0 DCAERM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000588515893 747390464 /nfs/dbraw/zinc/39/04/64/747390464.db2.gz UNZPFCWOBZODFR-ZETCQYMHSA-N -1 0 308.367 0.831 10 0 DCAERM CC(C)(C(=O)[O-])n1cc(NC(=O)CCS(C)(=O)=O)cn1 ZINC000698729744 954846375 /nfs/dbraw/zinc/84/63/75/954846375.db2.gz IIHMCDBHCNPWBJ-UHFFFAOYSA-N -1 0 303.340 0.076 10 0 DCAERM Cc1oc(C(=O)[O-])cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000689112719 976226418 /nfs/dbraw/zinc/22/64/18/976226418.db2.gz TXCXGEKEHVBXRJ-MRVPVSSYSA-N -1 0 301.320 0.451 10 0 DCAERM CCSC1(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC000691821469 976384369 /nfs/dbraw/zinc/38/43/69/976384369.db2.gz NPRIGNCXEAQLFD-VHSXEESVSA-N -1 0 302.396 0.749 10 0 DCAERM CCN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000693415293 976626511 /nfs/dbraw/zinc/62/65/11/976626511.db2.gz KJMFVAPOOBSSQZ-AEJSXWLSSA-N -1 0 304.368 0.068 10 0 DCAERM O=C([O-])[C@@H]1C[C@@H](O)CN1CCS(=O)(=O)C1CCCCC1 ZINC000699997948 976932309 /nfs/dbraw/zinc/93/23/09/976932309.db2.gz KMCWPXUGMSUBIQ-PWSUYJOCSA-N -1 0 305.396 0.254 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N(CCC(=O)[O-])C2CC2)C[C@H](C)O1 ZINC000037591818 545646059 /nfs/dbraw/zinc/64/60/59/545646059.db2.gz NKSIKNLOXPTRID-AOOOYVTPSA-N -1 0 306.384 0.280 10 0 DCAERM CC[C@H](C)[C@H](NC(=O)c1cnc2ccccn2c1=O)C(=O)[O-] ZINC000236997948 202114238 /nfs/dbraw/zinc/11/42/38/202114238.db2.gz HNTOGZJLMMHBEN-CABZTGNLSA-N -1 0 303.318 0.924 10 0 DCAERM CN(C(=O)NCC1(C(=O)[O-])CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000166725409 291248678 /nfs/dbraw/zinc/24/86/78/291248678.db2.gz TYDWDOCHZKEJSZ-SECBINFHSA-N -1 0 304.368 0.070 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000263408972 203464615 /nfs/dbraw/zinc/46/46/15/203464615.db2.gz GONZEEZTZRTIGM-OAHLLOKOSA-N -1 0 303.318 0.795 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)[C@H]2CCCCS2(=O)=O)CCSC1 ZINC000167902879 304164366 /nfs/dbraw/zinc/16/43/66/304164366.db2.gz DTPFAEKPZVQZNI-LDYMZIIASA-N -1 0 307.393 0.030 10 0 DCAERM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000287275871 296190257 /nfs/dbraw/zinc/19/02/57/296190257.db2.gz KPNVUXHORRUAKE-MNOVXSKESA-N -1 0 309.366 0.642 10 0 DCAERM CCc1nnc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)s1 ZINC000016900660 182062981 /nfs/dbraw/zinc/06/29/81/182062981.db2.gz YYNWOELKBPDQTO-RXMQYKEDSA-N -1 0 301.349 0.550 10 0 DCAERM NC(=O)CC[C@@H](NC(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000020023685 182179914 /nfs/dbraw/zinc/17/99/14/182179914.db2.gz BMLXJSCFYKHYDN-SECBINFHSA-N -1 0 302.689 0.928 10 0 DCAERM O=C([O-])Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)s1 ZINC000021789776 182289112 /nfs/dbraw/zinc/28/91/12/182289112.db2.gz SLGSSQMJPOOMEK-MRVPVSSYSA-N -1 0 305.377 0.833 10 0 DCAERM CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)N(C)CC(=O)[O-])c1 ZINC000022157310 182311357 /nfs/dbraw/zinc/31/13/57/182311357.db2.gz STSBNUHHMZNJAS-UHFFFAOYSA-N -1 0 317.367 0.202 10 0 DCAERM CCCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000022160124 182311940 /nfs/dbraw/zinc/31/19/40/182311940.db2.gz UATILHQYHZHFFS-UHFFFAOYSA-N -1 0 315.395 0.440 10 0 DCAERM C[C@@H](O)C(=O)N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000133134758 545796523 /nfs/dbraw/zinc/79/65/23/545796523.db2.gz SCFNJBBBHCBREZ-MRVPVSSYSA-N -1 0 314.288 0.336 10 0 DCAERM O=C([O-])[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@@H]1O ZINC000015205741 395689922 /nfs/dbraw/zinc/68/99/22/395689922.db2.gz GIRALEWNTWEAKH-JTTNIQEDSA-N -1 0 320.297 0.111 10 0 DCAERM O=C([O-])[C@H]1O[C@@H](Oc2cccc3ccccc32)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000022064342 395691708 /nfs/dbraw/zinc/69/17/08/395691708.db2.gz KEQWBZWOGRCILF-SMSYFYOWSA-N -1 0 320.297 0.111 10 0 DCAERM C[C@H](O)[C@H](NS(=O)(=O)c1cccc2cnccc21)C(=O)[O-] ZINC000036201298 395722583 /nfs/dbraw/zinc/72/25/83/395722583.db2.gz VBAOLWDPLUJIQF-UFBFGSQYSA-N -1 0 310.331 0.347 10 0 DCAERM CCN(CC(=O)[O-])S(=O)(=O)c1ccsc1C(=O)OC ZINC000038016931 395730234 /nfs/dbraw/zinc/73/02/34/395730234.db2.gz SCRSEIAWFWITNR-UHFFFAOYSA-N -1 0 307.349 0.630 10 0 DCAERM Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(=O)OCC1CC1 ZINC000102184295 395769011 /nfs/dbraw/zinc/76/90/11/395769011.db2.gz SQDCZPXPOFGFEQ-UHFFFAOYSA-N -1 0 321.786 0.613 10 0 DCAERM CCCc1noc(Cn2cc(Br)c(=O)[nH]c2=O)n1 ZINC000111458456 395808826 /nfs/dbraw/zinc/80/88/26/395808826.db2.gz PAGGJBGOQAYLIM-UHFFFAOYSA-N -1 0 315.127 0.683 10 0 DCAERM CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])CN1C(=O)C(F)(F)F ZINC000114334186 395834169 /nfs/dbraw/zinc/83/41/69/395834169.db2.gz QRNLRNZXTANTMM-JGVFFNPUSA-N -1 0 310.272 0.767 10 0 DCAERM CC[C@@H](C)[C@@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-] ZINC000050265454 395837944 /nfs/dbraw/zinc/83/79/44/395837944.db2.gz VULHVJOHHBBLCT-LDYMZIIASA-N -1 0 303.384 0.989 10 0 DCAERM C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@H](C)C(=O)[O-] ZINC000133287790 395929022 /nfs/dbraw/zinc/92/90/22/395929022.db2.gz LKVVEWRGXBPSPB-BQBZGAKWSA-N -1 0 313.335 0.244 10 0 DCAERM CC(C)(CNC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236653222 395896075 /nfs/dbraw/zinc/89/60/75/395896075.db2.gz KMKACCJOZACKJP-UHFFFAOYSA-N -1 0 306.322 0.113 10 0 DCAERM C[C@H](CCC(=O)[O-])CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000226322902 395865071 /nfs/dbraw/zinc/86/50/71/395865071.db2.gz ISVFZSIRJWAUCH-MXWKQRLJSA-N -1 0 308.400 0.431 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCCN(C)C1 ZINC000134693089 395933638 /nfs/dbraw/zinc/93/36/38/395933638.db2.gz OLVTYUMBKPYTQT-QMMMGPOBSA-N -1 0 319.408 0.302 10 0 DCAERM COc1ccc(C=NNS(C)(=O)=O)c(C(=O)[O-])c1OC ZINC000254509279 396032249 /nfs/dbraw/zinc/03/22/49/396032249.db2.gz BWDSRNXEPWIOST-UHFFFAOYSA-N -1 0 302.308 0.285 10 0 DCAERM Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262208691 396110729 /nfs/dbraw/zinc/11/07/29/396110729.db2.gz IMNJHQOXCHEMKJ-ZUZCIYMTSA-N -1 0 305.334 0.451 10 0 DCAERM CCCC(=O)NCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000262321601 396123771 /nfs/dbraw/zinc/12/37/71/396123771.db2.gz RPOMWACYGGRQEE-UHFFFAOYSA-N -1 0 321.333 0.356 10 0 DCAERM COC(=O)CC1(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000262490585 396146635 /nfs/dbraw/zinc/14/66/35/396146635.db2.gz JFSKEYXSBYUZNC-SNVBAGLBSA-N -1 0 319.379 0.456 10 0 DCAERM O=C(CN1CSCC1=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262510245 396149081 /nfs/dbraw/zinc/14/90/81/396149081.db2.gz KAYZLCURPQUSPC-GFCCVEGCSA-N -1 0 322.386 0.579 10 0 DCAERM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)NC(CO)CO ZINC000262946172 396193550 /nfs/dbraw/zinc/19/35/50/396193550.db2.gz AHJJKZMRNZEQFL-LBPRGKRZSA-N -1 0 310.350 0.115 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000263006865 396197122 /nfs/dbraw/zinc/19/71/22/396197122.db2.gz MUAVKRXTIOGNFL-OAHLLOKOSA-N -1 0 314.382 0.489 10 0 DCAERM CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C1 ZINC000263023579 396198360 /nfs/dbraw/zinc/19/83/60/396198360.db2.gz FOROYXGMZPYTLB-DCAQKATOSA-N -1 0 315.370 0.018 10 0 DCAERM CCS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)[O-])CC2)cc1 ZINC000263175428 396204368 /nfs/dbraw/zinc/20/43/68/396204368.db2.gz SSYGDVHIDLEIGC-UHFFFAOYSA-N -1 0 311.359 0.756 10 0 DCAERM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CC(=O)N(C2CC2)C1 ZINC000184629886 396300550 /nfs/dbraw/zinc/30/05/50/396300550.db2.gz JABABWBBHYLWMS-NKWVEPMBSA-N -1 0 300.302 0.620 10 0 DCAERM COc1cccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1F ZINC000372345671 396509490 /nfs/dbraw/zinc/50/94/90/396509490.db2.gz HXCDDJWCVZCZGX-SNVBAGLBSA-N -1 0 307.285 0.561 10 0 DCAERM C[C@@H]1CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)[C@H]1C(=O)[O-] ZINC000299985177 396715201 /nfs/dbraw/zinc/71/52/01/396715201.db2.gz VZTFPQGXXJNTRL-KXUCPTDWSA-N -1 0 304.368 0.020 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N[C@]23C[C@H]2CCCC3)C1 ZINC000634654719 396893350 /nfs/dbraw/zinc/89/33/50/396893350.db2.gz RHBSTFYWIDFUKK-NQBHXWOUSA-N -1 0 302.396 0.950 10 0 DCAERM CO[C@H]1C[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C12CCC2 ZINC000333969913 396935746 /nfs/dbraw/zinc/93/57/46/396935746.db2.gz VCDJNJYRMDSFSI-MNOVXSKESA-N -1 0 307.350 0.516 10 0 DCAERM Cc1nc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cn1C ZINC000384463881 397281491 /nfs/dbraw/zinc/28/14/91/397281491.db2.gz LEUAMTXHHTUJBC-WPRPVWTQSA-N -1 0 301.368 0.602 10 0 DCAERM C[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@@H](C)O1 ZINC000384926648 397282758 /nfs/dbraw/zinc/28/27/58/397282758.db2.gz PUNWQUQKDFMUBX-FXPVBKGRSA-N -1 0 306.384 0.183 10 0 DCAERM C[C@@H]1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@H](C)O1 ZINC000384926651 397283013 /nfs/dbraw/zinc/28/30/13/397283013.db2.gz PUNWQUQKDFMUBX-YWVKMMECSA-N -1 0 306.384 0.183 10 0 DCAERM CC[C@H](C)C[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000400379379 397319056 /nfs/dbraw/zinc/31/90/56/397319056.db2.gz KGVZBMYPFXBKPW-GARJFASQSA-N -1 0 305.396 0.959 10 0 DCAERM COCC(=O)N(C)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000263411089 292173746 /nfs/dbraw/zinc/17/37/46/292173746.db2.gz IXLHSLWMUCIQQH-SRVKXCTJSA-N -1 0 312.366 0.336 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000037327343 157987931 /nfs/dbraw/zinc/98/79/31/157987931.db2.gz ITLYVAQQGPHGGZ-WPRPVWTQSA-N -1 0 321.301 0.827 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000262089537 158772575 /nfs/dbraw/zinc/77/25/75/158772575.db2.gz CGKOXTOKHSBZAZ-OLZOCXBDSA-N -1 0 316.317 0.581 10 0 DCAERM C[C@H](CN(C)C(=O)Cc1nn(C)c(=O)c2ccccc21)C(=O)[O-] ZINC000262400149 158809352 /nfs/dbraw/zinc/80/93/52/158809352.db2.gz AOHDNCSWPZKXEJ-SNVBAGLBSA-N -1 0 317.345 0.655 10 0 DCAERM Cc1nc([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)sc1C(=O)[O-] ZINC000262598478 158829168 /nfs/dbraw/zinc/82/91/68/158829168.db2.gz XUDPMWKBMZJJTC-RQJHMYQMSA-N -1 0 320.392 0.760 10 0 DCAERM CCO[C@H](C(=O)NCc1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC000262768848 158839604 /nfs/dbraw/zinc/83/96/04/158839604.db2.gz GYJLRZOZLZWTRM-AWEZNQCLSA-N -1 0 318.333 0.757 10 0 DCAERM CC(C)c1ncncc1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262834343 158844726 /nfs/dbraw/zinc/84/47/26/158844726.db2.gz SBGUYFWHXBJJLB-UHFFFAOYSA-N -1 0 304.310 0.206 10 0 DCAERM CO[C@H](CNC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)[O-] ZINC000263079049 158855552 /nfs/dbraw/zinc/85/55/52/158855552.db2.gz KTSCTXMOBBRMNY-CYBMUJFWSA-N -1 0 320.345 0.889 10 0 DCAERM CCC[C@@H](NC(=O)c1cnc2c(C)cccn2c1=O)C(=O)[O-] ZINC000263442886 158879668 /nfs/dbraw/zinc/87/96/68/158879668.db2.gz QEPAOENOIRDWJI-LLVKDONJSA-N -1 0 303.318 0.986 10 0 DCAERM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000408125931 160042895 /nfs/dbraw/zinc/04/28/95/160042895.db2.gz HMPBTUUCYJSENA-ONGXEEELSA-N -1 0 302.396 0.680 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408133502 160044321 /nfs/dbraw/zinc/04/43/21/160044321.db2.gz OZOGUNOZUCLKKJ-SDDRHHMPSA-N -1 0 305.396 0.817 10 0 DCAERM CCCc1nc(=NC(=O)N2CCCN(C(C)=O)CC2)s[n-]1 ZINC000408207783 160059936 /nfs/dbraw/zinc/05/99/36/160059936.db2.gz JFZLTGPUFZPDCX-UHFFFAOYSA-N -1 0 311.411 0.999 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408243488 160067853 /nfs/dbraw/zinc/06/78/53/160067853.db2.gz AHUNVSUEDSAXEG-DDHJBXDOSA-N -1 0 303.380 0.284 10 0 DCAERM O=C([N-]S(=O)(=O)c1cncc(Cl)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408393316 160099011 /nfs/dbraw/zinc/09/90/11/160099011.db2.gz JXKJIGNPUVXSJM-GMTAPVOTSA-N -1 0 316.766 0.965 10 0 DCAERM CCc1c(C(=O)[N-]S(=O)(=O)C2COC2)cnn1C(C)(C)C ZINC000408475780 160116323 /nfs/dbraw/zinc/11/63/23/160116323.db2.gz HFKWQFMARBKAGO-UHFFFAOYSA-N -1 0 315.395 0.659 10 0 DCAERM Cc1nn(C)c2nc(C)cc(C(=O)[N-]S(=O)(=O)C3COC3)c12 ZINC000408475019 160116416 /nfs/dbraw/zinc/11/64/16/160116416.db2.gz ASJPBPBIVDAJKE-UHFFFAOYSA-N -1 0 324.362 0.044 10 0 DCAERM C[C@H]1Cc2cccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)c2O1 ZINC000408481168 160117998 /nfs/dbraw/zinc/11/79/98/160117998.db2.gz FGIWNYPRFGZQBR-GXSJLCMTSA-N -1 0 311.359 0.859 10 0 DCAERM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cccnn3)c2C1 ZINC000408499981 160119574 /nfs/dbraw/zinc/11/95/74/160119574.db2.gz NYHIGJGPVUSHAV-SECBINFHSA-N -1 0 321.362 0.374 10 0 DCAERM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)nc1C ZINC000408504904 160120596 /nfs/dbraw/zinc/12/05/96/160120596.db2.gz VWUONDDLSAAPKZ-UHFFFAOYSA-N -1 0 320.374 0.960 10 0 DCAERM CC[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)CC(=O)[O-] ZINC000147370670 287030062 /nfs/dbraw/zinc/03/00/62/287030062.db2.gz CHGDYGOZEXQUFN-VIFPVBQESA-N -1 0 314.363 0.565 10 0 DCAERM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)CC1=CCCCC1 ZINC000333562976 415686166 /nfs/dbraw/zinc/68/61/66/415686166.db2.gz LFOWHEGZDSEPOH-SNVBAGLBSA-N -1 0 306.322 0.670 10 0 DCAERM Cc1scc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1C ZINC000333608663 415696450 /nfs/dbraw/zinc/69/64/50/415696450.db2.gz RPYFYRNKWLGTGL-VIFPVBQESA-N -1 0 322.346 0.771 10 0 DCAERM C[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)CC(=O)[O-] ZINC000147283052 415962150 /nfs/dbraw/zinc/96/21/50/415962150.db2.gz AYMBYXAJGKZSBE-SSDOTTSWSA-N -1 0 313.335 0.245 10 0 DCAERM Cc1nn(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000172818229 416049699 /nfs/dbraw/zinc/04/96/99/416049699.db2.gz ZILCPFKRGZWEHN-UHFFFAOYSA-N -1 0 320.374 0.815 10 0 DCAERM CC(=O)Nc1ccc(CC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000357073559 416030734 /nfs/dbraw/zinc/03/07/34/416030734.db2.gz RLYONUGEUXZECU-UHFFFAOYSA-N -1 0 300.322 0.506 10 0 DCAERM CNc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cn1 ZINC000329188870 416154246 /nfs/dbraw/zinc/15/42/46/416154246.db2.gz QOJWPVHSMCXKRT-JTQLQIEISA-N -1 0 302.338 1.314 10 0 DCAERM O=C(N[C@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000178952858 416177655 /nfs/dbraw/zinc/17/76/55/416177655.db2.gz HVTZKURCNLVTOQ-AAEUAGOBSA-N -1 0 304.346 0.902 10 0 DCAERM O=C([O-])COCCNC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000263440879 416338253 /nfs/dbraw/zinc/33/82/53/416338253.db2.gz METKMCYPPOJKOW-UHFFFAOYSA-N -1 0 322.239 0.854 10 0 DCAERM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000359372383 416343905 /nfs/dbraw/zinc/34/39/05/416343905.db2.gz RYFXRARKVZSFMS-RNFRBKRXSA-N -1 0 300.340 0.152 10 0 DCAERM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)C2)c1C ZINC000195285116 416325999 /nfs/dbraw/zinc/32/59/99/416325999.db2.gz KLEHIXQCOYACEU-LBPRGKRZSA-N -1 0 324.402 0.861 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408478860 287332749 /nfs/dbraw/zinc/33/27/49/287332749.db2.gz DSFONJUUTBEGGE-SRVKXCTJSA-N -1 0 305.396 0.817 10 0 DCAERM CC(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)[C@@H](C)C1 ZINC000632107434 416907580 /nfs/dbraw/zinc/90/75/80/416907580.db2.gz XMVDQJOUHNJFDY-VIFPVBQESA-N -1 0 316.354 0.773 10 0 DCAERM Cn1cc([C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C(F)(F)F)cn1 ZINC000446961896 416955181 /nfs/dbraw/zinc/95/51/81/416955181.db2.gz FAWTYKRDKSEWLX-MRVPVSSYSA-N -1 0 309.273 0.725 10 0 DCAERM NS(=O)(=O)N1CCCOC[C@H]1c1ccccc1C(=O)[O-] ZINC000616649128 417088040 /nfs/dbraw/zinc/08/80/40/417088040.db2.gz QOEHPQYISJZZFW-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000448987186 417115463 /nfs/dbraw/zinc/11/54/63/417115463.db2.gz APNBRFQOTNGZGH-BZNIZROVSA-N -1 0 320.345 0.555 10 0 DCAERM O=C(N=c1cc([C@@H]2CCCO2)[nH][nH]1)N=c1[n-]nc2ccccn21 ZINC000525831824 417153707 /nfs/dbraw/zinc/15/37/07/417153707.db2.gz DZIPZTROUOMFET-JTQLQIEISA-N -1 0 313.321 0.792 10 0 DCAERM COC(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044750122 261106575 /nfs/dbraw/zinc/10/65/75/261106575.db2.gz QAHMSBMMEZQSLO-UHFFFAOYSA-N -1 0 301.320 0.998 10 0 DCAERM CN(C(=O)N[C@@H](C(=O)[O-])C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000399137223 271218188 /nfs/dbraw/zinc/21/81/88/271218188.db2.gz VKIJNUCLPMXZKL-NXEZZACHSA-N -1 0 304.368 0.068 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000547562069 288058622 /nfs/dbraw/zinc/05/86/22/288058622.db2.gz HFCRJMLOCIIFRA-GXSJLCMTSA-N -1 0 302.352 0.594 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c[nH]1 ZINC000548544074 288152861 /nfs/dbraw/zinc/15/28/61/288152861.db2.gz UVPYTIQTXSHXHX-NSHDSACASA-N -1 0 313.310 0.961 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000262106767 298368593 /nfs/dbraw/zinc/36/85/93/298368593.db2.gz GFESVEBZCRUIFB-MRVPVSSYSA-N -1 0 304.302 0.896 10 0 DCAERM Cc1oc(C(=O)N[C@@H](C)CCC(=O)[O-])cc1S(N)(=O)=O ZINC000262104154 302868853 /nfs/dbraw/zinc/86/88/53/302868853.db2.gz FWVBVSCTROXVPU-LURJTMIESA-N -1 0 304.324 0.219 10 0 DCAERM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cnn1C ZINC000391691646 336960368 /nfs/dbraw/zinc/96/03/68/336960368.db2.gz JMYFUXBDWAYWSW-ZETCQYMHSA-N -1 0 309.775 0.995 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000583176610 337255186 /nfs/dbraw/zinc/25/51/86/337255186.db2.gz UASZMYOKGILFAM-BQBZGAKWSA-N -1 0 304.290 0.711 10 0 DCAERM Cc1ncc(CN(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])s1 ZINC000037837691 337368277 /nfs/dbraw/zinc/36/82/77/337368277.db2.gz UIPRTINTMUYSPS-UHFFFAOYSA-N -1 0 316.364 0.694 10 0 DCAERM C[C@@]1(C(=O)[O-])C[C@](O)(CO)CN1C(=O)OCc1ccccc1 ZINC000584656734 337378150 /nfs/dbraw/zinc/37/81/50/337378150.db2.gz UMVOZNFAIMJPQC-LSDHHAIUSA-N -1 0 309.318 0.596 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)no1 ZINC000577111166 341886899 /nfs/dbraw/zinc/88/68/99/341886899.db2.gz NHBPRYNRRIHIMI-GZMMTYOYSA-N -1 0 302.352 0.855 10 0 DCAERM Cc1c(CC(=O)NC2(c3nnn[n-]3)CC2)nnn1-c1ccccc1 ZINC000357083571 533831459 /nfs/dbraw/zinc/83/14/59/533831459.db2.gz YUYMXQHZCJOYGA-UHFFFAOYSA-N -1 0 324.348 0.437 10 0 DCAERM CCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccn2)C1 ZINC000364193712 521558862 /nfs/dbraw/zinc/55/88/62/521558862.db2.gz FCXJWAXCFWCTRN-NSHDSACASA-N -1 0 305.334 0.758 10 0 DCAERM COCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000365093483 521764177 /nfs/dbraw/zinc/76/41/77/521764177.db2.gz KZEKGCUPODTTEM-BQBZGAKWSA-N -1 0 305.274 0.158 10 0 DCAERM CC[C@@H](C)[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000237039138 522307045 /nfs/dbraw/zinc/30/70/45/522307045.db2.gz JNSUXPRSLIYDPY-ZWNOBZJWSA-N -1 0 317.349 0.956 10 0 DCAERM CN1C[C@H](C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC1=O ZINC000262954818 524020082 /nfs/dbraw/zinc/02/00/82/524020082.db2.gz RBDVRFDOWUPSRN-PWSUYJOCSA-N -1 0 308.309 0.588 10 0 DCAERM CC(C)(CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000093535169 545727247 /nfs/dbraw/zinc/72/72/47/545727247.db2.gz DBPQTPKKXSSMPT-DTWKUNHWSA-N -1 0 306.384 0.362 10 0 DCAERM COC(=O)C12CCC(C(=O)NCCc3nc(=O)o[n-]3)(CC1)CC2 ZINC000293775117 546010751 /nfs/dbraw/zinc/01/07/51/546010751.db2.gz APUSPMMTLOARQC-UHFFFAOYSA-N -1 0 323.349 0.535 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)c2nscc2Br)CCOC1 ZINC000404882368 546227703 /nfs/dbraw/zinc/22/77/03/546227703.db2.gz CANOUUCKUNMDRD-SECBINFHSA-N -1 0 321.152 0.879 10 0 DCAERM CCC[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000679568589 548066786 /nfs/dbraw/zinc/06/67/86/548066786.db2.gz JWXZHVVBNSXZDH-SECBINFHSA-N -1 0 306.384 0.364 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)[C@H](C(=O)[O-])[C@H]2C1 ZINC000685945993 548748784 /nfs/dbraw/zinc/74/87/84/548748784.db2.gz IGDFYFFMAMUACJ-VGMNWLOBSA-N -1 0 305.352 0.351 10 0 DCAERM O=C([O-])CCCC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC000725263954 548750383 /nfs/dbraw/zinc/75/03/83/548750383.db2.gz DCWHIMWHVKDTJW-NSHDSACASA-N -1 0 303.380 0.667 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccn(C)c2C)nc1C ZINC000194990975 659526215 /nfs/dbraw/zinc/52/62/15/659526215.db2.gz ULKWGOYAAHMKPU-UHFFFAOYSA-N -1 0 310.379 0.977 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@H]1C ZINC000195253609 659540006 /nfs/dbraw/zinc/54/00/06/659540006.db2.gz ZSYRSWDTNLLXGV-XCBNKYQSSA-N -1 0 302.352 0.769 10 0 DCAERM CCOCCOCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000262198764 662159063 /nfs/dbraw/zinc/15/90/63/662159063.db2.gz RXXRSMFGSROJLF-UHFFFAOYSA-N -1 0 324.333 0.493 10 0 DCAERM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)Cn1cnnn1 ZINC000263443353 662689001 /nfs/dbraw/zinc/68/90/01/662689001.db2.gz XVMDQAYIPPOOKI-GFCCVEGCSA-N -1 0 309.370 0.993 10 0 DCAERM CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000171564269 664610103 /nfs/dbraw/zinc/61/01/03/664610103.db2.gz KIZJERIKFHHIMD-UHFFFAOYSA-N -1 0 301.715 0.005 10 0 DCAERM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccon3)cc21 ZINC000183649213 666087643 /nfs/dbraw/zinc/08/76/43/666087643.db2.gz KMGWHHCQISQSOH-UHFFFAOYSA-N -1 0 321.318 0.216 10 0 DCAERM O=C(COC1CCOCC1)[N-]S(=O)(=O)C1CCCCC1 ZINC000735397652 666984912 /nfs/dbraw/zinc/98/49/12/666984912.db2.gz JTQWNEFTDUQORV-UHFFFAOYSA-N -1 0 305.396 0.961 10 0 DCAERM CCCS(=O)(=O)[N-]C(=O)c1ccc(CNC(C)=O)s1 ZINC000122981487 667717465 /nfs/dbraw/zinc/71/74/65/667717465.db2.gz DXDLAUUAJGMONF-UHFFFAOYSA-N -1 0 304.393 0.854 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCOC[C@H]2C)nc1C ZINC000192830425 670189703 /nfs/dbraw/zinc/18/97/03/670189703.db2.gz PIUPHKBULRBDIU-MWLCHTKSSA-N -1 0 315.395 0.689 10 0 DCAERM C[C@H]1CCCCN1S(=O)(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000716295800 670262340 /nfs/dbraw/zinc/26/23/40/670262340.db2.gz CURUZLZDVPTXQB-DCAQKATOSA-N -1 0 306.384 0.185 10 0 DCAERM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)C1 ZINC000112762339 670653922 /nfs/dbraw/zinc/65/39/22/670653922.db2.gz CLKLVRPRDMZDRM-NSHDSACASA-N -1 0 304.412 0.737 10 0 DCAERM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000111570781 671265897 /nfs/dbraw/zinc/26/58/97/671265897.db2.gz BHLCZROODRDBPR-ZJUUUORDSA-N -1 0 314.345 0.649 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1ccc(Br)nc1 ZINC000392271755 685262390 /nfs/dbraw/zinc/26/23/90/685262390.db2.gz CQBQBPYPJDWMJJ-UHFFFAOYSA-N -1 0 313.111 0.493 10 0 DCAERM CCN(CC(=O)[O-])C(=O)NCc1nn(C)cc1Br ZINC000393358254 685263924 /nfs/dbraw/zinc/26/39/24/685263924.db2.gz XNOSVKJKKVTBOK-UHFFFAOYSA-N -1 0 319.159 0.799 10 0 DCAERM COC[C@](C)(NC(=O)NC[C@]1(OC)CCSC1)C(=O)[O-] ZINC000719225610 685309615 /nfs/dbraw/zinc/30/96/15/685309615.db2.gz BKGHTJPLHLYQAS-NWDGAFQWSA-N -1 0 306.384 0.297 10 0 DCAERM CC[C@@H](CNS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)[O-] ZINC000087499904 685090833 /nfs/dbraw/zinc/09/08/33/685090833.db2.gz NAIIASHDEJKRTJ-VIFPVBQESA-N -1 0 315.347 0.862 10 0 DCAERM O=C([O-])/C=C/CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000383719627 685243787 /nfs/dbraw/zinc/24/37/87/685243787.db2.gz DFBJJPFGLWMHES-OWOJBTEDSA-N -1 0 304.255 0.653 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000261695758 1184824747 /nfs/dbraw/zinc/82/47/47/1184824747.db2.gz KXROAAVSYDWURX-UHFFFAOYSA-N -1 0 314.363 0.386 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000262075813 1185160295 /nfs/dbraw/zinc/16/02/95/1185160295.db2.gz AAOHXSAHBCKSHP-VHSXEESVSA-N -1 0 300.355 0.239 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCCC(=O)NC(C)C)C1 ZINC000262204761 1185163910 /nfs/dbraw/zinc/16/39/10/1185163910.db2.gz WQWSHWXNERLXRZ-GHMZBOCLSA-N -1 0 300.355 0.382 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)COCCOc2ccccc2)C1 ZINC000262169416 1185164059 /nfs/dbraw/zinc/16/40/59/1185164059.db2.gz QGFYSXKAOVHIJW-ZIAGYGMSSA-N -1 0 323.345 0.783 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000262393600 1185167292 /nfs/dbraw/zinc/16/72/92/1185167292.db2.gz BPNUSYRSRNWUML-UPJWGTAASA-N -1 0 324.377 0.336 10 0 DCAERM CC[C@@H](C)[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC000262546640 1185168737 /nfs/dbraw/zinc/16/87/37/1185168737.db2.gz SUOLOGXBKXQOON-SKDRFNHKSA-N -1 0 305.396 0.959 10 0 DCAERM CO[C@H](CNC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)[O-] ZINC000263058296 1185175301 /nfs/dbraw/zinc/17/53/01/1185175301.db2.gz GYLXRIFDDPPYJD-LLVKDONJSA-N -1 0 319.317 0.885 10 0 DCAERM CO[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000263152430 1185176725 /nfs/dbraw/zinc/17/67/25/1185176725.db2.gz XFTDZSLSDMPTLP-JTNHKYCSSA-N -1 0 321.329 0.777 10 0 DCAERM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263209770 1185176895 /nfs/dbraw/zinc/17/68/95/1185176895.db2.gz YVSAJHVRZHOJAK-LMLFDSFASA-N -1 0 319.379 0.310 10 0 DCAERM CO[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000263152432 1185177238 /nfs/dbraw/zinc/17/72/38/1185177238.db2.gz XFTDZSLSDMPTLP-MISXGVKJSA-N -1 0 321.329 0.777 10 0 DCAERM CCn1nccc1N1CCC[C@H](NC(=O)NCCC(=O)[O-])C1=O ZINC000263348261 1185178417 /nfs/dbraw/zinc/17/84/17/1185178417.db2.gz HFWNDIIZQBEUOP-JTQLQIEISA-N -1 0 323.353 0.172 10 0 DCAERM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263560544 1185179717 /nfs/dbraw/zinc/17/97/17/1185179717.db2.gz REGQUPWUVLNNME-VWYCJHECSA-N -1 0 321.395 0.747 10 0 DCAERM O=S(=O)(NCCN1CCSCC1)c1cccnc1F ZINC000401822404 768639850 /nfs/dbraw/zinc/63/98/50/768639850.db2.gz KVAQRPCCBMANQU-UHFFFAOYSA-N -1 0 305.400 0.548 10 0 DCAERM CCc1cnc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC000689198889 954644008 /nfs/dbraw/zinc/64/40/08/954644008.db2.gz GOKFNAOHECGKRB-VIFPVBQESA-N -1 0 303.340 0.120 10 0 DCAERM CS(=O)(=O)CCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000692802707 954711536 /nfs/dbraw/zinc/71/15/36/954711536.db2.gz IUFQATYJMZWDTG-SNVBAGLBSA-N -1 0 306.384 0.317 10 0 DCAERM O=C([O-])C1=NO[C@H](C(=O)NCCSCC(F)(F)F)C1 ZINC000698882107 954847331 /nfs/dbraw/zinc/84/73/31/954847331.db2.gz BMFJXWMWKAJUDO-LURJTMIESA-N -1 0 300.258 0.628 10 0 DCAERM O=C(NC[C@@H]1CCCCS1(=O)=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693003401 968921436 /nfs/dbraw/zinc/92/14/36/968921436.db2.gz LNIAEEPZDXESTQ-GUBZILKMSA-N -1 0 304.368 0.116 10 0 DCAERM CCCN(CC(C)(C)O)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000691004420 976345411 /nfs/dbraw/zinc/34/54/11/976345411.db2.gz SIUNJIXMHVVWMP-UHFFFAOYSA-N -1 0 306.340 0.544 10 0 DCAERM Cn1ncc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1Cl ZINC000694127143 976668018 /nfs/dbraw/zinc/66/80/18/976668018.db2.gz YUNAJJBDMVQRIC-BQBZGAKWSA-N -1 0 302.718 0.373 10 0 DCAERM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCCS2(=O)=O)c[nH]1 ZINC000694517628 976696324 /nfs/dbraw/zinc/69/63/24/976696324.db2.gz XWZFDKWSVPYNAI-VIFPVBQESA-N -1 0 300.336 0.410 10 0 DCAERM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@@H]1CCCS1(=O)=O)CC2 ZINC000694678793 976709688 /nfs/dbraw/zinc/70/96/88/976709688.db2.gz NWUVGESVMFQKBS-UWVGGRQHSA-N -1 0 301.364 0.277 10 0 DCAERM C[C@@H]1[C@H](NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCS1(=O)=O ZINC000694950933 976754379 /nfs/dbraw/zinc/75/43/79/976754379.db2.gz AUJMAIDALWKCFX-SZEHBUNVSA-N -1 0 302.352 0.035 10 0 DCAERM CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc(C(=O)[O-])cs1 ZINC000697287335 976838682 /nfs/dbraw/zinc/83/86/82/976838682.db2.gz RGTZYSRFVMQZBJ-NXEZZACHSA-N -1 0 305.377 0.348 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092436426 185318032 /nfs/dbraw/zinc/31/80/32/185318032.db2.gz UQSCYNXVTUVEIE-UHFFFAOYSA-N -1 0 315.273 0.664 10 0 DCAERM CNC(=O)c1ccc([C@@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)n1C ZINC000328640355 529944146 /nfs/dbraw/zinc/94/41/46/529944146.db2.gz QBFOJIGMRFWJHM-NSHDSACASA-N -1 0 318.381 0.936 10 0 DCAERM C[C@@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)C1CCOCC1 ZINC000263256598 295756753 /nfs/dbraw/zinc/75/67/53/295756753.db2.gz IPJQLPXKLOCZQZ-PVXIVEMSSA-N -1 0 311.378 0.999 10 0 DCAERM Cn1ccc(CC(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)c1 ZINC000072440773 191167406 /nfs/dbraw/zinc/16/74/06/191167406.db2.gz HUZYBLGHSNZCLR-UHFFFAOYSA-N -1 0 316.361 0.867 10 0 DCAERM CCN(CC)C(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003295197 181001329 /nfs/dbraw/zinc/00/13/29/181001329.db2.gz PHWBOQNTYYHZEJ-UHFFFAOYSA-N -1 0 303.318 0.963 10 0 DCAERM O=C([O-])CC1(CC(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@@H]32)CCCC1 ZINC000005396709 304043557 /nfs/dbraw/zinc/04/35/57/304043557.db2.gz KRLWMUQLQFGDGD-GZZJDILISA-N -1 0 313.350 0.055 10 0 biogenic DCAERM NC(=O)Cn1c(=O)c2ccccc2nc1SCCC(=O)[O-] ZINC000073660084 191338125 /nfs/dbraw/zinc/33/81/25/191338125.db2.gz KLADROZVGTXAHD-UHFFFAOYSA-N -1 0 307.331 0.449 10 0 DCAERM O=C([O-])Cn1c(=O)c2ccccc2nc1SCC1OCCO1 ZINC000073661810 191338267 /nfs/dbraw/zinc/33/82/67/191338267.db2.gz JAYAAYIAICGOMM-UHFFFAOYSA-N -1 0 322.342 0.946 10 0 DCAERM C[C@@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CCN1CCO ZINC000187274254 200087034 /nfs/dbraw/zinc/08/70/34/200087034.db2.gz AMVPKQPKCKAQPU-MRVPVSSYSA-N -1 0 318.295 0.948 10 0 DCAERM Cc1nn(C)c(C)c1CCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000188171517 200203250 /nfs/dbraw/zinc/20/32/50/200203250.db2.gz PJJFCYWLULEPGR-QWHCGFSZSA-N -1 0 309.366 0.718 10 0 DCAERM COc1cc(NS(=O)(=O)NC2CC2)c(C(=O)[O-])cc1OC ZINC000159545836 291235209 /nfs/dbraw/zinc/23/52/09/291235209.db2.gz YHBSFLHSCNQSBS-UHFFFAOYSA-N -1 0 316.335 0.811 10 0 DCAERM O=C([O-])[C@@]1(C(F)(F)F)CCN(S(=O)(=O)NC2CC2)C1 ZINC000159689302 291235905 /nfs/dbraw/zinc/23/59/05/291235905.db2.gz ICJXHKUPBSHNNL-MRVPVSSYSA-N -1 0 302.274 0.322 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000164841503 291247693 /nfs/dbraw/zinc/24/76/93/291247693.db2.gz XANLFOISIIAXRY-MFKMUULPSA-N -1 0 315.395 0.959 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164873119 291248263 /nfs/dbraw/zinc/24/82/63/291248263.db2.gz OKFAYOFACOEYBZ-JOYOIKCWSA-N -1 0 307.368 0.502 10 0 DCAERM O=C([O-])[C@H]1CC[C@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000407986998 239258091 /nfs/dbraw/zinc/25/80/91/239258091.db2.gz PEALVXOURMTWLW-MWLCHTKSSA-N -1 0 303.311 0.424 10 0 DCAERM COc1ccc(=NC(=O)N=c2cc([C@H]3CCCO3)[nH][nH]2)[n-]n1 ZINC000566576879 291313906 /nfs/dbraw/zinc/31/39/06/291313906.db2.gz JJDZYCVYCQJBAQ-SECBINFHSA-N -1 0 304.310 0.548 10 0 DCAERM COc1ccc(=NC(=O)N=c2cc([C@@H]3CCCO3)[nH][nH]2)[n-]n1 ZINC000566576880 291313922 /nfs/dbraw/zinc/31/39/22/291313922.db2.gz JJDZYCVYCQJBAQ-VIFPVBQESA-N -1 0 304.310 0.548 10 0 DCAERM CCC[C@H](CNC(=O)[C@@H]1CSCN1C(=O)CC)C(=O)[O-] ZINC000263220305 283882551 /nfs/dbraw/zinc/88/25/51/283882551.db2.gz QOCUTHDHZMGQPU-ZJUUUORDSA-N -1 0 302.396 0.915 10 0 DCAERM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263541763 291389887 /nfs/dbraw/zinc/38/98/87/291389887.db2.gz DIDIQSRNOXVYKJ-KXUCPTDWSA-N -1 0 305.352 0.207 10 0 DCAERM NC(=O)C[C@H](NC(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000019265392 182111459 /nfs/dbraw/zinc/11/14/59/182111459.db2.gz OPHZWLWDLKMEOF-BYPYZUCNSA-N -1 0 321.152 0.569 10 0 DCAERM NS(=O)(=O)c1ccc(Cl)c(NC(=O)/C=C/C(=O)[O-])c1 ZINC000037796165 182926510 /nfs/dbraw/zinc/92/65/10/182926510.db2.gz QVHBILLNCOORNW-ONEGZZNKSA-N -1 0 304.711 0.567 10 0 DCAERM CO[C@H](C)c1nc(=N[C@@H]2CCCN(S(C)(=O)=O)C2)s[n-]1 ZINC000400228256 533120015 /nfs/dbraw/zinc/12/00/15/533120015.db2.gz LDQSYKMXCZSBPA-RKDXNWHRSA-N -1 0 320.440 0.503 10 0 DCAERM Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)[O-])cc1)N2 ZINC000008664076 257137605 /nfs/dbraw/zinc/13/76/05/257137605.db2.gz OXIZGFYJYJOABB-VIFPVBQESA-N -1 0 316.321 0.781 10 0 in-vitro DCAERM COC(C)(C)C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262174225 292044402 /nfs/dbraw/zinc/04/44/02/292044402.db2.gz WSFFEQSQEJJTEU-UHFFFAOYSA-N -1 0 300.355 0.193 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc(F)ccc1F ZINC000013028654 395688474 /nfs/dbraw/zinc/68/84/74/395688474.db2.gz JDNJKPYAPWOKFA-CBAPKCEASA-N -1 0 307.274 0.173 10 0 DCAERM CS(=O)(=O)Nc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000032962211 395715223 /nfs/dbraw/zinc/71/52/23/395715223.db2.gz KUDFVSHJJGCNTE-UHFFFAOYSA-N -1 0 300.336 0.593 10 0 DCAERM CCN(CC)S(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000090941875 395720022 /nfs/dbraw/zinc/72/00/22/395720022.db2.gz HUPHLJFQAYYHLW-UHFFFAOYSA-N -1 0 307.397 0.560 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000037462737 395727424 /nfs/dbraw/zinc/72/74/24/395727424.db2.gz ARRVLBNYTRHSIS-QMMMGPOBSA-N -1 0 320.754 0.255 10 0 DCAERM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000111440653 395808935 /nfs/dbraw/zinc/80/89/35/395808935.db2.gz KHOVRQDQWQTMTJ-QCLAVDOMSA-N -1 0 324.424 0.188 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000234540145 395888297 /nfs/dbraw/zinc/88/82/97/395888297.db2.gz BGCIHVGYZGCZOZ-MWLCHTKSSA-N -1 0 307.368 0.455 10 0 DCAERM O=C([O-])[C@H](NC(=O)NCCCn1ccnn1)c1cccs1 ZINC000127858621 395916649 /nfs/dbraw/zinc/91/66/49/395916649.db2.gz UTXMRIOIDMAMKN-SNVBAGLBSA-N -1 0 309.351 0.855 10 0 DCAERM CC(C)[C@@H](CNS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000227865437 395869733 /nfs/dbraw/zinc/86/97/33/395869733.db2.gz BLKUDMYSZRXOIZ-SSDOTTSWSA-N -1 0 309.775 0.709 10 0 DCAERM C[NH+](C)CCc1nc([O-])c(I)c(=O)[n-]1 ZINC000134768372 395934899 /nfs/dbraw/zinc/93/48/99/395934899.db2.gz JOTFBSOAHJLLNM-UHFFFAOYSA-N -1 0 309.107 0.184 10 0 DCAERM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000136259051 395945278 /nfs/dbraw/zinc/94/52/78/395945278.db2.gz MKDGMXOICJNFLY-AXFHLTTASA-N -1 0 308.400 0.429 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)CC(=O)[O-])cc1 ZINC000147288570 395966313 /nfs/dbraw/zinc/96/63/13/395966313.db2.gz UNUZDTIRYYEJNQ-VIFPVBQESA-N -1 0 314.363 0.435 10 0 DCAERM CCOCCS(=O)(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000063153638 395975200 /nfs/dbraw/zinc/97/52/00/395975200.db2.gz UMXFFZIWYPQSEP-LBPRGKRZSA-N -1 0 315.347 0.705 10 0 DCAERM COc1cc(C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)ccc1O ZINC000254869465 396032384 /nfs/dbraw/zinc/03/23/84/396032384.db2.gz JDQHAKNYMPBAMS-SNVBAGLBSA-N -1 0 323.330 0.797 10 0 DCAERM O=C([O-])Cc1ccc(NC(=O)C(=S)N2CCOCC2)cc1 ZINC000256029611 396032859 /nfs/dbraw/zinc/03/28/59/396032859.db2.gz ASMZSMLXXLWTRN-UHFFFAOYSA-N -1 0 308.359 0.912 10 0 DCAERM CCC1(O)CN(c2nc[n-]c(=O)c2I)C1 ZINC000166175200 396088739 /nfs/dbraw/zinc/08/87/39/396088739.db2.gz LVODUBYQNYVIFD-UHFFFAOYSA-N -1 0 321.118 0.336 10 0 DCAERM C=CS(=O)(=O)c1nc[n-]c(=O)c1I ZINC000166946335 396089770 /nfs/dbraw/zinc/08/97/70/396089770.db2.gz IJKXSSAFGLVVOF-UHFFFAOYSA-N -1 0 312.088 0.292 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000262129346 396102305 /nfs/dbraw/zinc/10/23/05/396102305.db2.gz KFOLYUFOXIAMLE-SECBINFHSA-N -1 0 304.302 0.652 10 0 DCAERM CC[C@H](C)[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000262397500 396135176 /nfs/dbraw/zinc/13/51/76/396135176.db2.gz AAUKSPOTSHMMLV-GXSJLCMTSA-N -1 0 306.384 0.028 10 0 DCAERM O=C([O-])COCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160830349 396075575 /nfs/dbraw/zinc/07/55/75/396075575.db2.gz ORLDEKRRPVVENP-SMDDNHRTSA-N -1 0 300.355 0.424 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)on1 ZINC000263205613 396206060 /nfs/dbraw/zinc/20/60/60/396206060.db2.gz MWEOMAHTPZDVPQ-MWLCHTKSSA-N -1 0 302.352 0.998 10 0 DCAERM CCN(CC(=O)[O-])C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262500133 396147621 /nfs/dbraw/zinc/14/76/21/396147621.db2.gz YYPPKRRDPFYKGA-UHFFFAOYSA-N -1 0 305.290 0.035 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCCN(C(=O)COCC(F)(F)F)C1 ZINC000262857359 396187965 /nfs/dbraw/zinc/18/79/65/396187965.db2.gz IIUDXVGNRFYOQW-LLVKDONJSA-N -1 0 313.272 0.905 10 0 DCAERM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000263348834 396215090 /nfs/dbraw/zinc/21/50/90/396215090.db2.gz PGIJYMRRMWFKBB-GHMZBOCLSA-N -1 0 305.334 0.381 10 0 DCAERM C[C@](O)(CNS(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000263485191 396218064 /nfs/dbraw/zinc/21/80/64/396218064.db2.gz MIMRRBTWMDUKIU-JTQLQIEISA-N -1 0 311.718 0.593 10 0 DCAERM COc1cccc(COCC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000563802928 396780571 /nfs/dbraw/zinc/78/05/71/396780571.db2.gz CBZHLHQIVCNCKA-UHFFFAOYSA-N -1 0 303.322 0.530 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)CCCc2ccccn2)n[n-]1 ZINC000591450276 396922660 /nfs/dbraw/zinc/92/26/60/396922660.db2.gz IZNCLMLHDCXGTD-UHFFFAOYSA-N -1 0 309.351 0.565 10 0 DCAERM C[C@@H]1CN(C(=O)c2ccc(F)cc2[O-])CCN1S(C)(=O)=O ZINC000618676394 397010498 /nfs/dbraw/zinc/01/04/98/397010498.db2.gz RPODFIGVEYOVSR-SECBINFHSA-N -1 0 316.354 0.637 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000383665051 397279059 /nfs/dbraw/zinc/27/90/59/397279059.db2.gz RPSIEGKIWRIIRQ-LURJTMIESA-N -1 0 321.273 0.265 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(F)ccc1F ZINC000037374956 157988218 /nfs/dbraw/zinc/98/82/18/157988218.db2.gz JDNJKPYAPWOKFA-IONNQARKSA-N -1 0 307.274 0.173 10 0 DCAERM COc1n[nH]c(NC(=O)CNC(=O)c2cc(F)cc(F)c2)n1 ZINC000133099406 158316226 /nfs/dbraw/zinc/31/62/26/158316226.db2.gz GTYHNCBTAXHXFI-UHFFFAOYSA-N -1 0 311.248 0.460 10 0 DCAERM CCC(CC)(CNC(=O)[C@@H](CCSC)NC(N)=O)C(=O)[O-] ZINC000164982779 158363209 /nfs/dbraw/zinc/36/32/09/158363209.db2.gz WVMFPPOLZVHLTK-SECBINFHSA-N -1 0 319.427 0.784 10 0 DCAERM Cn1cccc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])c1=O ZINC000262918702 158848442 /nfs/dbraw/zinc/84/84/42/158848442.db2.gz IIMWXYYGRXGIRK-LLVKDONJSA-N -1 0 310.350 0.774 10 0 DCAERM CCCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC ZINC000263450037 158879295 /nfs/dbraw/zinc/87/92/95/158879295.db2.gz AGKVKPDXFBRICX-NXEZZACHSA-N -1 0 307.368 0.455 10 0 DCAERM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCC(O)CC2)c1 ZINC000408094770 160035258 /nfs/dbraw/zinc/03/52/58/160035258.db2.gz UFDNYTNBXJKPMD-UHFFFAOYSA-N -1 0 312.391 0.963 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H](C)CC(=O)N2)c(C)o1 ZINC000408132139 160044489 /nfs/dbraw/zinc/04/44/89/160044489.db2.gz JOCUTPXVQHWQSK-XVKPBYJWSA-N -1 0 314.363 0.616 10 0 DCAERM CC[C@@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408172755 160052714 /nfs/dbraw/zinc/05/27/14/160052714.db2.gz AANWAMADUSYABG-RNCFNFMXSA-N -1 0 313.379 0.907 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)O1 ZINC000408300273 160079769 /nfs/dbraw/zinc/07/97/69/160079769.db2.gz XFQSFQXEAPYLTO-KCJUWKMLSA-N -1 0 313.331 0.788 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408394790 160099821 /nfs/dbraw/zinc/09/98/21/160099821.db2.gz OKMZIKORVZXJLR-FBIMIBRVSA-N -1 0 316.766 0.965 10 0 DCAERM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)[C@@H]3CCCOC3)c2n1 ZINC000408409414 160102739 /nfs/dbraw/zinc/10/27/39/160102739.db2.gz XTCZEWBTZBFMGT-SNVBAGLBSA-N -1 0 324.362 0.276 10 0 DCAERM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCO2)c1 ZINC000408443009 160108344 /nfs/dbraw/zinc/10/83/44/160108344.db2.gz NZGAEWPVDLZBMY-CYBMUJFWSA-N -1 0 315.395 0.913 10 0 DCAERM Cc1nc2ccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)cc2o1 ZINC000408477601 160117136 /nfs/dbraw/zinc/11/71/36/160117136.db2.gz AYYBKQLMJFENTR-SNVBAGLBSA-N -1 0 310.331 0.985 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408482689 160117901 /nfs/dbraw/zinc/11/79/01/160117901.db2.gz LCPPFKGLZOZIHC-MNOVXSKESA-N -1 0 301.368 0.430 10 0 DCAERM Cn1nccc1CC(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000408495249 160119781 /nfs/dbraw/zinc/11/97/81/160119781.db2.gz OFNSETROJPEABT-GCZXYKMCSA-N -1 0 311.407 0.987 10 0 DCAERM CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)cn1 ZINC000408501619 160120416 /nfs/dbraw/zinc/12/04/16/160120416.db2.gz RLUSMPQBNXXEPL-IJLUTSLNSA-N -1 0 313.379 0.694 10 0 DCAERM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000068371564 415396641 /nfs/dbraw/zinc/39/66/41/415396641.db2.gz CLHWYGDPHDZVLI-NXEZZACHSA-N -1 0 316.361 0.956 10 0 DCAERM C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)CS2 ZINC000097053009 415579974 /nfs/dbraw/zinc/57/99/74/415579974.db2.gz QTSUKCRLAKMFQT-KSQLKPTDSA-N -1 0 312.391 0.810 10 0 DCAERM O=c1cc(CN2CCO[C@H](Cn3cccn3)C2)nc2cc[n-]n21 ZINC000108867852 415683717 /nfs/dbraw/zinc/68/37/17/415683717.db2.gz YIVOCAAHNMKNDY-ZDUSSCGKSA-N -1 0 314.349 0.120 10 0 DCAERM Cc1c(C(=O)NC2(c3nnn[n-]3)CC2)nnn1-c1cccc(C)c1 ZINC000357049154 416027666 /nfs/dbraw/zinc/02/76/66/416027666.db2.gz HFKJBTBBFSZQSV-UHFFFAOYSA-N -1 0 324.348 0.816 10 0 DCAERM CCOCC(=O)N1CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000359728481 416355371 /nfs/dbraw/zinc/35/53/71/416355371.db2.gz MJJALRKFMZYCHJ-GFCCVEGCSA-N -1 0 300.355 0.337 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCCN1c1nccs1 ZINC000240333209 416330078 /nfs/dbraw/zinc/33/00/78/416330078.db2.gz FCHYKWOKDDEBME-MRVPVSSYSA-N -1 0 309.351 0.147 10 0 DCAERM CO[C@](C)(C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)c1ccccc1 ZINC000361482002 416440211 /nfs/dbraw/zinc/44/02/11/416440211.db2.gz SXDZXEOJXYIRIP-ZDUSSCGKSA-N -1 0 324.362 0.709 10 0 DCAERM CC(=O)N(C)c1ccccc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000435375888 416520773 /nfs/dbraw/zinc/52/07/73/416520773.db2.gz OPWPVDURJRJQMR-UHFFFAOYSA-N -1 0 316.317 0.721 10 0 DCAERM C/C=C/C[C@@H](NC(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000518294724 416847516 /nfs/dbraw/zinc/84/75/16/416847516.db2.gz SDUGYCBQJRIDED-KXMPLOMGSA-N -1 0 318.395 0.530 10 0 DCAERM NS(=O)(=O)N1CCCOC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616649705 417086492 /nfs/dbraw/zinc/08/64/92/417086492.db2.gz WKTMXXWIGYYKOH-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM O=C([O-])CN(C(=O)NCCCc1nnc2ccccn21)C1CC1 ZINC000568312032 417124301 /nfs/dbraw/zinc/12/43/01/417124301.db2.gz SYECYBBGDXYUIR-UHFFFAOYSA-N -1 0 317.349 0.921 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403785500 417117874 /nfs/dbraw/zinc/11/78/74/417117874.db2.gz HFNNMTJUQLFNDS-DDHJBXDOSA-N -1 0 302.396 0.806 10 0 DCAERM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1c(F)cccc1F ZINC000404155423 417118569 /nfs/dbraw/zinc/11/85/69/417118569.db2.gz POXFLYAFWIZJKA-LBPRGKRZSA-N -1 0 307.318 0.785 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@@H]2CC2(F)F)C1 ZINC000622039942 417378461 /nfs/dbraw/zinc/37/84/61/417378461.db2.gz YVWKPKSRIXXQSI-RKDXNWHRSA-N -1 0 312.338 0.663 10 0 DCAERM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000530152231 417545551 /nfs/dbraw/zinc/54/55/51/417545551.db2.gz IGQQSGBJCWSTBI-LKHWLPBLSA-N -1 0 303.340 0.198 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)no1 ZINC000577111170 417663907 /nfs/dbraw/zinc/66/39/07/417663907.db2.gz NHBPRYNRRIHIMI-LDYMZIIASA-N -1 0 302.352 0.855 10 0 DCAERM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H](CF)C(=O)[O-])C1 ZINC000263048207 287531965 /nfs/dbraw/zinc/53/19/65/287531965.db2.gz WGNRATQRBWVENK-GARJFASQSA-N -1 0 302.346 0.810 10 0 DCAERM CC[C@H](C)[C@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236947899 287718957 /nfs/dbraw/zinc/71/89/57/287718957.db2.gz PLVWHWHCRZFIGH-GWCFXTLKSA-N -1 0 320.349 0.502 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c[nH]1 ZINC000547544089 288056295 /nfs/dbraw/zinc/05/62/95/288056295.db2.gz WHEDIZPIGZPGFO-LLVKDONJSA-N -1 0 313.310 0.961 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000070310844 298367819 /nfs/dbraw/zinc/36/78/19/298367819.db2.gz HSIGWQZZZBBNBT-ZDMBXUJBSA-N -1 0 300.380 0.810 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])on1 ZINC000333638399 301279658 /nfs/dbraw/zinc/27/96/58/301279658.db2.gz WVUCUNIHSJVKKU-KCJUWKMLSA-N -1 0 302.352 0.998 10 0 DCAERM Cn1c2ccc(C(=O)[O-])cc2nc1N1CC[NH2+][C@@H](C(=O)[O-])C1 ZINC000071751999 302900891 /nfs/dbraw/zinc/90/08/91/302900891.db2.gz CYBSNTKWABIWPU-SNVBAGLBSA-N -1 0 304.306 0.134 10 0 DCAERM Cc1c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cnn1C ZINC000570211932 332726177 /nfs/dbraw/zinc/72/61/77/332726177.db2.gz KNBUGDOWAGTCLX-SCZZXKLOSA-N -1 0 301.368 0.460 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1cc(Br)c[nH]1 ZINC000392142639 336968976 /nfs/dbraw/zinc/96/89/76/336968976.db2.gz BXHYSJYJSHUSAP-UHFFFAOYSA-N -1 0 301.100 0.426 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000576518294 341850477 /nfs/dbraw/zinc/85/04/77/341850477.db2.gz YCZYXPSPDAHAFC-UWVGGRQHSA-N -1 0 307.368 0.312 10 0 DCAERM CC(C)CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)c1nnn[n-]1)C(C)C ZINC000156545875 519596152 /nfs/dbraw/zinc/59/61/52/519596152.db2.gz ONTHTEZMAYPEBC-DGCLKSJQSA-N -1 0 324.429 0.949 10 0 DCAERM Cc1cccc(S([O-])=CC(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000157097079 524908135 /nfs/dbraw/zinc/90/81/35/524908135.db2.gz LMUDFEPPPQBILC-GTJPDFRWSA-N -1 0 308.403 0.827 10 0 DCAERM CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000013541819 560219274 /nfs/dbraw/zinc/21/92/74/560219274.db2.gz JTTNTYOGIGHWBA-QWRGUYRKSA-N -1 0 304.412 0.860 10 0 in-vitro DCAERM O=C(NC[C@@H](O)CN1CCOCC1)c1c([O-])cc(F)cc1F ZINC000156191350 545845813 /nfs/dbraw/zinc/84/58/13/545845813.db2.gz ROWIXSPGVKKVLA-SNVBAGLBSA-N -1 0 316.304 0.093 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@H]2CCCO2)C1 ZINC000252458012 545974874 /nfs/dbraw/zinc/97/48/74/545974874.db2.gz FQPPBHQJEASVRY-GHMZBOCLSA-N -1 0 306.384 0.187 10 0 DCAERM Cc1cccn2c(=O)c(C(=O)[N-]OC[C@@H]3CCOC3)cnc12 ZINC000188329255 660900552 /nfs/dbraw/zinc/90/05/52/660900552.db2.gz MQVUOGOCXFJENC-LLVKDONJSA-N -1 0 303.318 0.701 10 0 DCAERM Cc1cccn2c(=O)c(C(=O)[N-]S(=O)(=O)CC(C)C)cnc12 ZINC000180749418 659067821 /nfs/dbraw/zinc/06/78/21/659067821.db2.gz GDHHLORKFAMFTL-UHFFFAOYSA-N -1 0 323.374 0.719 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCCC(=O)NCc1ccccc1 ZINC000262213470 662170180 /nfs/dbraw/zinc/17/01/80/662170180.db2.gz TYMDWEXZBOESQC-CHWSQXEVSA-N -1 0 304.346 0.920 10 0 DCAERM O=C(CCn1cc[nH]c(=O)c1=O)Nc1ccc2c(c1)CCCO2 ZINC000727854018 662255416 /nfs/dbraw/zinc/25/54/16/662255416.db2.gz PZIVUQRHBROACP-UHFFFAOYSA-N -1 0 315.329 0.890 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)O1 ZINC000263001537 662613439 /nfs/dbraw/zinc/61/34/39/662613439.db2.gz VBIFUIFQDYTAMQ-JQWIXIFHSA-N -1 0 312.366 0.336 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000263195019 662652285 /nfs/dbraw/zinc/65/22/85/662652285.db2.gz YBCPTKPUPBFHBM-GYSYKLTISA-N -1 0 321.329 0.917 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000221745027 664360540 /nfs/dbraw/zinc/36/05/40/664360540.db2.gz YEVSPAOCINBRLQ-USZNOCQGSA-N -1 0 320.411 0.383 10 0 DCAERM Cc1nonc1CN1CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC000222319091 664373995 /nfs/dbraw/zinc/37/39/95/664373995.db2.gz ODLJAJACVYAOHQ-SNVBAGLBSA-N -1 0 310.354 0.523 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCCO2)cc1 ZINC000055590269 664379258 /nfs/dbraw/zinc/37/92/58/664379258.db2.gz NIXYXDAFUIJKBP-GFCCVEGCSA-N -1 0 312.347 0.378 10 0 DCAERM CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000263119853 665283292 /nfs/dbraw/zinc/28/32/92/665283292.db2.gz WYQKXPHMTJSQDQ-UMNHJUIQSA-N -1 0 303.380 0.521 10 0 DCAERM CC(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000448987320 667260491 /nfs/dbraw/zinc/26/04/91/667260491.db2.gz AVFGRFLUFOVZQB-WPRPVWTQSA-N -1 0 314.388 0.911 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000888338214 667301363 /nfs/dbraw/zinc/30/13/63/667301363.db2.gz PXFHIJZRUORYHT-NSHDSACASA-N -1 0 304.358 0.489 10 0 DCAERM Cc1c([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C[C@H]2CCOC2)cnn1C ZINC000886094027 667731551 /nfs/dbraw/zinc/73/15/51/667731551.db2.gz ONSYPCNFSBLRIY-SUNKGSAMSA-N -1 0 307.350 0.739 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)O1 ZINC000124084666 667896180 /nfs/dbraw/zinc/89/61/80/667896180.db2.gz TXKKOIIERBMBPV-GWCFXTLKSA-N -1 0 310.375 0.978 10 0 DCAERM NC(=O)c1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cn1 ZINC000127635967 669007765 /nfs/dbraw/zinc/00/77/65/669007765.db2.gz ZDADKUQJAGQVTC-UHFFFAOYSA-N -1 0 309.285 0.669 10 0 DCAERM CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CC(C)C)n1 ZINC000192431686 670164102 /nfs/dbraw/zinc/16/41/02/670164102.db2.gz AICLUQARKKIQNB-UHFFFAOYSA-N -1 0 304.328 0.527 10 0 DCAERM CN(C)C(=O)[C@H]1CCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000117982098 671263846 /nfs/dbraw/zinc/26/38/46/671263846.db2.gz WWCCYIYFIAVXDX-GFCCVEGCSA-N -1 0 314.345 0.616 10 0 DCAERM CC(=O)N1CC[C@](C)(C(=O)N=c2cc(-c3nccn3C)[n-][nH]2)C1 ZINC000533403150 685300738 /nfs/dbraw/zinc/30/07/38/685300738.db2.gz KLDSSSYPBKKYIL-HNNXBMFYSA-N -1 0 316.365 0.429 10 0 DCAERM CO[C@@]1(CNC(=O)N2CCSC[C@@H]2C(=O)[O-])CCSC1 ZINC000719231147 685309026 /nfs/dbraw/zinc/30/90/26/685309026.db2.gz ULANJJIRRSZRJZ-BXKDBHETSA-N -1 0 320.436 0.720 10 0 DCAERM CC[C@@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](C)O ZINC000395650565 1157952205 /nfs/dbraw/zinc/95/22/05/1157952205.db2.gz KIEXKCMCOBYCTK-IONNQARKSA-N -1 0 304.324 0.738 10 0 DCAERM C[C@H](CN(C)C(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000237547938 1158222264 /nfs/dbraw/zinc/22/22/64/1158222264.db2.gz COOZNDJSIQXPRV-SNVBAGLBSA-N -1 0 306.322 0.065 10 0 DCAERM Cn1nnc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000127179887 1177300367 /nfs/dbraw/zinc/30/03/67/1177300367.db2.gz RWZPKTOIAJKRIG-UHFFFAOYSA-N -1 0 309.138 0.713 10 0 DCAERM COc1ccc(OCC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000261651391 1184651144 /nfs/dbraw/zinc/65/11/44/1184651144.db2.gz JRSIDULDOKWIJD-QWHCGFSZSA-N -1 0 309.318 0.775 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](C)OC[C@@H]2CCCO2)C1 ZINC000262139306 1185162160 /nfs/dbraw/zinc/16/21/60/1185162160.db2.gz LQKHUMDPRDCWTG-NNYUYHANSA-N -1 0 301.339 0.271 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3nnc(C)n3c2)C1 ZINC000262102972 1185162180 /nfs/dbraw/zinc/16/21/80/1185162180.db2.gz FSFUWYLROKWBBL-GHMZBOCLSA-N -1 0 304.306 0.352 10 0 DCAERM CCN(CC)C(=O)CCCC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000262106820 1185162368 /nfs/dbraw/zinc/16/23/68/1185162368.db2.gz GHVICNIKXBJISF-NWDGAFQWSA-N -1 0 314.382 0.726 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)COCCc2ccccc2)C1 ZINC000262150330 1185162846 /nfs/dbraw/zinc/16/28/46/1185162846.db2.gz NLOFDPVIPCSLBS-ZIAGYGMSSA-N -1 0 307.346 0.946 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCC(=O)NC(C)C)C1 ZINC000262204764 1185163689 /nfs/dbraw/zinc/16/36/89/1185163689.db2.gz WQWSHWXNERLXRZ-MNOVXSKESA-N -1 0 300.355 0.382 10 0 DCAERM COc1nc(=NC(=O)c2nscc2Br)[n-][nH]1 ZINC000404757230 1190212618 /nfs/dbraw/zinc/21/26/18/1190212618.db2.gz CBYJWRWCYXCYHT-UHFFFAOYSA-N -1 0 304.129 0.707 10 0 DCAERM CC[C@@H](C)C[C@@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000400467904 774031362 /nfs/dbraw/zinc/03/13/62/774031362.db2.gz VQXBXALAGYVTSK-NXEZZACHSA-N -1 0 309.384 0.748 10 0 DCAERM CC[C@H](C)[C@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])OC ZINC000689222411 954647092 /nfs/dbraw/zinc/64/70/92/954647092.db2.gz IIJJFOAIIVOIAP-DCAQKATOSA-N -1 0 308.400 0.431 10 0 DCAERM CCC(CC)(CO)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689200376 968889818 /nfs/dbraw/zinc/88/98/18/968889818.db2.gz GAERMZKAKWYHBV-JTQLQIEISA-N -1 0 308.400 0.169 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000688459815 976180979 /nfs/dbraw/zinc/18/09/79/976180979.db2.gz RIBAAJSYURVPGA-MNOVXSKESA-N -1 0 305.396 0.771 10 0 DCAERM CN(CCc1nccs1)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000688661322 976188784 /nfs/dbraw/zinc/18/87/84/976188784.db2.gz KBCULIBFMYUJMI-UHFFFAOYSA-N -1 0 317.348 0.693 10 0 DCAERM Cn1ncc(Br)c1C(=O)N1CC(C)(C(=O)[O-])C1 ZINC000693121392 976590991 /nfs/dbraw/zinc/59/09/91/976590991.db2.gz MHYXPGPPIAEFPZ-UHFFFAOYSA-N -1 0 302.128 0.729 10 0 DCAERM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@@H]1OC ZINC000694212827 976683715 /nfs/dbraw/zinc/68/37/15/976683715.db2.gz UVPLLVALNMIMQA-DTORHVGOSA-N -1 0 305.308 0.012 10 0 DCAERM O=C([O-])C1=CC[C@@H](NC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000694956935 976756925 /nfs/dbraw/zinc/75/69/25/976756925.db2.gz YRCONSDQGXRGDL-NXEZZACHSA-N -1 0 302.352 0.036 10 0 DCAERM CN(CC1CN(C)C1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000821996691 978927241 /nfs/dbraw/zinc/92/72/41/978927241.db2.gz KZWKJDAEZPBVNI-UHFFFAOYSA-N -1 0 304.393 0.628 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc2snnc21 ZINC000083328414 185222166 /nfs/dbraw/zinc/22/21/66/185222166.db2.gz STXWUUDMZSYXOG-ZETCQYMHSA-N -1 0 313.360 0.929 10 0 DCAERM CC(C)[C@H](C(=O)[O-])N1C[C@H](NC(=O)Cc2ccccc2)C1=O ZINC000005457689 181245641 /nfs/dbraw/zinc/24/56/41/181245641.db2.gz FZGPEVZHDQGHEP-GXTWGEPZSA-N -1 0 304.346 0.665 10 0 DCAERM CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000005639322 181267436 /nfs/dbraw/zinc/26/74/36/181267436.db2.gz UKWOISDEPIVXRB-KBPBESRZSA-N -1 0 304.346 0.809 10 0 DCAERM O=C([O-])/C=C/C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000006472866 181343711 /nfs/dbraw/zinc/34/37/11/181343711.db2.gz HPTJFPSVNXRQLK-HMDXOVGESA-N -1 0 313.331 0.436 10 0 DCAERM CN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000495567835 241219121 /nfs/dbraw/zinc/21/91/21/241219121.db2.gz YKFTYKWPVVMDIY-SECBINFHSA-N -1 0 301.343 0.674 10 0 DCAERM O=C([O-])CN1C(=O)S/C(=C\C(=O)Nc2nccs2)C1=O ZINC000016737653 182059386 /nfs/dbraw/zinc/05/93/86/182059386.db2.gz ZOLIGISMDDJLBT-HYXAFXHYSA-N -1 0 313.316 0.746 10 0 DCAERM CS(=O)(=O)CC[C@@H](NC(=O)Cc1cccs1)C(=O)[O-] ZINC000021008856 182259495 /nfs/dbraw/zinc/25/94/95/182259495.db2.gz PRWKYTKLPVTCIG-SECBINFHSA-N -1 0 305.377 0.295 10 0 DCAERM Cc1cc2c(cc1S(=O)(=O)NCCC(=O)[O-])OCC(=O)N2 ZINC000032917703 182680105 /nfs/dbraw/zinc/68/01/05/182680105.db2.gz MCDXFODSKXXWKC-UHFFFAOYSA-N -1 0 314.319 0.079 10 0 DCAERM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1sc(=O)[nH]c1C ZINC000061181537 184164866 /nfs/dbraw/zinc/16/48/66/184164866.db2.gz IWVXFTGJAUCKAR-LURJTMIESA-N -1 0 308.381 0.619 10 0 DCAERM C[C@@H](O)[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000061860217 184190015 /nfs/dbraw/zinc/19/00/15/184190015.db2.gz APXMRKIMMJXUDS-SVGQVSJJSA-N -1 0 303.112 0.408 10 0 DCAERM O=C([O-])[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C(F)(F)F ZINC000262060753 220464216 /nfs/dbraw/zinc/46/42/16/220464216.db2.gz AWSHPZRNYBSYRX-RKDXNWHRSA-N -1 0 322.283 0.720 10 0 DCAERM O=C([O-])c1csc(CCNS(=O)(=O)N2CCCC2)n1 ZINC000090942179 395720115 /nfs/dbraw/zinc/72/01/15/395720115.db2.gz FWNPOWILDUNDFX-UHFFFAOYSA-N -1 0 305.381 0.314 10 0 DCAERM C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@H](C)C(=O)[O-] ZINC000133287396 395929015 /nfs/dbraw/zinc/92/90/15/395929015.db2.gz LKVVEWRGXBPSPB-NKWVEPMBSA-N -1 0 313.335 0.244 10 0 DCAERM Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000237524509 395914212 /nfs/dbraw/zinc/91/42/12/395914212.db2.gz AMRGQNUMDAKMKX-ZETCQYMHSA-N -1 0 307.306 0.818 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)c2cccc(F)c2)C(=O)[O-])cn1 ZINC000130819073 395923543 /nfs/dbraw/zinc/92/35/43/395923543.db2.gz SUOYBNJHUAUFGM-NSHDSACASA-N -1 0 313.310 0.663 10 0 DCAERM C[C@H]1CCCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130823531 395924052 /nfs/dbraw/zinc/92/40/52/395924052.db2.gz FMIFPYAONOFRDA-ONGXEEELSA-N -1 0 316.383 0.255 10 0 DCAERM CC1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)CC1 ZINC000130822670 395924078 /nfs/dbraw/zinc/92/40/78/395924078.db2.gz WXLCKERVJASLFO-LLVKDONJSA-N -1 0 316.383 0.112 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)c2ccc(F)cc2)C(=O)[O-])cn1 ZINC000130831604 395924368 /nfs/dbraw/zinc/92/43/68/395924368.db2.gz UIVUXFFTFMBHGG-NSHDSACASA-N -1 0 313.310 0.663 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000227864978 395869643 /nfs/dbraw/zinc/86/96/43/395869643.db2.gz TUENSDGCBXWQHD-ZETCQYMHSA-N -1 0 309.775 0.851 10 0 DCAERM CCc1cc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n[nH]1 ZINC000120740717 395882125 /nfs/dbraw/zinc/88/21/25/395882125.db2.gz SNMQBLZLQVYMLS-UHFFFAOYSA-N -1 0 300.278 0.149 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000231521751 395884528 /nfs/dbraw/zinc/88/45/28/395884528.db2.gz BQYNNULUVGPMRS-QMMMGPOBSA-N -1 0 320.392 0.635 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]CC[C@H]1CCCO1 ZINC000134691828 395933963 /nfs/dbraw/zinc/93/39/63/395933963.db2.gz MUSWHQHWJUSRHS-MRVPVSSYSA-N -1 0 320.392 0.777 10 0 DCAERM CC(C)[C@H](CC(=O)[O-])NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000136565511 395947825 /nfs/dbraw/zinc/94/78/25/395947825.db2.gz ONLLJRZUJOAPOE-ZJUUUORDSA-N -1 0 306.384 0.314 10 0 DCAERM CCN(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@@H](C)CC(=O)[O-] ZINC000061213694 395966693 /nfs/dbraw/zinc/96/66/93/395966693.db2.gz NAFBIVDTDCFDER-UWVGGRQHSA-N -1 0 306.384 0.410 10 0 DCAERM C[C@H]1OCCC[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000276785094 396028131 /nfs/dbraw/zinc/02/81/31/396028131.db2.gz IHSRUIZWUFTSTQ-RQJHMYQMSA-N -1 0 320.396 0.663 10 0 DCAERM CC(=O)NCCc1ccc(S(=O)(=O)NCC[C@@H](C)O)s1 ZINC000154305850 396035943 /nfs/dbraw/zinc/03/59/43/396035943.db2.gz UVRWTZJAFLOYHG-SECBINFHSA-N -1 0 320.436 0.476 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCOC[C@@H]1C ZINC000277959119 396096843 /nfs/dbraw/zinc/09/68/43/396096843.db2.gz RZUIVIWPPUVIIB-YUMQZZPRSA-N -1 0 320.392 0.633 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)[O-])C2)cn1C ZINC000070556161 396102525 /nfs/dbraw/zinc/10/25/25/396102525.db2.gz KXVLMRKCMCITJB-VHSXEESVSA-N -1 0 301.368 0.650 10 0 DCAERM C[C@@H]1CN(C(=O)Cc2csc3nccn23)C[C@@H](C(=O)[O-])O1 ZINC000262166224 396106535 /nfs/dbraw/zinc/10/65/35/396106535.db2.gz DKDVLIMFJUTNRS-SCZZXKLOSA-N -1 0 309.347 0.639 10 0 DCAERM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263284829 396211054 /nfs/dbraw/zinc/21/10/54/396211054.db2.gz XUUIZEWHDVNDAN-UTLUCORTSA-N -1 0 307.368 0.310 10 0 DCAERM CCc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1CC ZINC000262848948 396186856 /nfs/dbraw/zinc/18/68/56/396186856.db2.gz BIIKTSPHVLDURQ-KCJUWKMLSA-N -1 0 323.349 0.209 10 0 DCAERM Cn1cccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1=O ZINC000262852460 396187709 /nfs/dbraw/zinc/18/77/09/396187709.db2.gz XENVSZICUSYUOE-UHFFFAOYSA-N -1 0 304.306 0.654 10 0 DCAERM CS(=O)(=O)NCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184380918 396293561 /nfs/dbraw/zinc/29/35/61/396293561.db2.gz ALDZJRYRTIXLLB-UHFFFAOYSA-N -1 0 310.734 0.464 10 0 DCAERM NCC(F)(F)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000193312715 396448924 /nfs/dbraw/zinc/44/89/24/396448924.db2.gz UNAZSDPRAACOCX-UHFFFAOYSA-N -1 0 319.255 0.973 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])c1 ZINC000562295058 396655328 /nfs/dbraw/zinc/65/53/28/396655328.db2.gz BGSDGLCXTVZFSU-SNVBAGLBSA-N -1 0 301.368 0.996 10 0 DCAERM CO[C@@H]1CN(C(=O)c2c(Cl)cnn2C)[C@@](C)(C(=O)[O-])C1 ZINC000630314675 396982381 /nfs/dbraw/zinc/98/23/81/396982381.db2.gz CQJVVKDRFISGGF-JVXZTZIISA-N -1 0 301.730 0.778 10 0 DCAERM C[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC000384920427 397282321 /nfs/dbraw/zinc/28/23/21/397282321.db2.gz PHZDBBNLIHYITA-ZNSHCXBVSA-N -1 0 306.384 0.183 10 0 DCAERM CCO[C@@H]1C[C@@](NC(=O)[C@@H](C)NC(C)=O)(C(=O)[O-])C1(C)C ZINC000262824485 286308681 /nfs/dbraw/zinc/30/86/81/286308681.db2.gz QCNDQAGPEYHPEL-PJCOJXEDSA-N -1 0 300.355 0.286 10 0 DCAERM CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000088374543 158094762 /nfs/dbraw/zinc/09/47/62/158094762.db2.gz QYKKJNXPKUWKPL-LLVKDONJSA-N -1 0 313.331 0.016 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000122466246 158220451 /nfs/dbraw/zinc/22/04/51/158220451.db2.gz XTZLWKFFAMPAHF-LLVKDONJSA-N -1 0 315.395 0.971 10 0 DCAERM O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1F ZINC000123614696 158231990 /nfs/dbraw/zinc/23/19/90/158231990.db2.gz FVTWYVKRRUGBGX-GFCCVEGCSA-N -1 0 314.382 0.967 10 0 DCAERM O=C([O-])c1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccn1 ZINC000137305150 158345019 /nfs/dbraw/zinc/34/50/19/158345019.db2.gz GUTLRYYRXBAYSH-LLVKDONJSA-N -1 0 301.306 0.849 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])no1 ZINC000235675863 158632314 /nfs/dbraw/zinc/63/23/14/158632314.db2.gz WUWMDTTZBZNPHT-GZMMTYOYSA-N -1 0 302.352 0.998 10 0 DCAERM CS(=O)(=O)CCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC000262247648 158789651 /nfs/dbraw/zinc/78/96/51/158789651.db2.gz WOSPUFFNKIHOQT-MNOVXSKESA-N -1 0 303.380 0.380 10 0 DCAERM COC(C)(C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262252257 158790702 /nfs/dbraw/zinc/79/07/02/158790702.db2.gz VOYMHWBHPHKWPI-JTQLQIEISA-N -1 0 300.355 0.193 10 0 DCAERM Cn1cc([C@H]2CN(C(=O)c3ccnc(C(=O)[O-])c3)CCO2)cn1 ZINC000262768154 158839307 /nfs/dbraw/zinc/83/93/07/158839307.db2.gz KZQQTFWXPVVJOG-CYBMUJFWSA-N -1 0 316.317 0.727 10 0 DCAERM CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262977226 158851355 /nfs/dbraw/zinc/85/13/55/158851355.db2.gz PCEJQDDQKXUBSC-DTWKUNHWSA-N -1 0 306.359 0.617 10 0 DCAERM CO[C@H](CNC(=O)CCCc1nc(C(C)(C)C)no1)C(=O)[O-] ZINC000263080393 158855324 /nfs/dbraw/zinc/85/53/24/158855324.db2.gz LAZLOTHHQJDHIS-SECBINFHSA-N -1 0 313.354 0.906 10 0 DCAERM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263282882 158868929 /nfs/dbraw/zinc/86/89/29/158868929.db2.gz XPQGVHNETAZZOB-KOLCDFICSA-N -1 0 308.334 0.574 10 0 DCAERM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000263363268 158875030 /nfs/dbraw/zinc/87/50/30/158875030.db2.gz ZACNUHYHXHDKMV-BIIVOSGPSA-N -1 0 308.256 0.377 10 0 DCAERM Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c(F)c1 ZINC000364414664 159274525 /nfs/dbraw/zinc/27/45/25/159274525.db2.gz FPIADBNVPHFULG-WCBMZHEXSA-N -1 0 303.311 0.343 10 0 DCAERM O=C(N1CCC[C@@H](c2nnn[n-]2)C1)C(F)(F)C1(O)CCC1 ZINC000367052025 159309215 /nfs/dbraw/zinc/30/92/15/159309215.db2.gz GTKMBQQFKPWAGH-MRVPVSSYSA-N -1 0 301.297 0.456 10 0 DCAERM CC[C@@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408172757 160052803 /nfs/dbraw/zinc/05/28/03/160052803.db2.gz AANWAMADUSYABG-ZANVPECISA-N -1 0 313.379 0.907 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000408206895 160059855 /nfs/dbraw/zinc/05/98/55/160059855.db2.gz UXCJRGACLYQAQV-GFCCVEGCSA-N -1 0 304.412 0.343 10 0 DCAERM C[C@H]1[C@@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1(F)F ZINC000408232086 160064626 /nfs/dbraw/zinc/06/46/26/160064626.db2.gz RGOHAMDAHROFOT-IMJSIDKUSA-N -1 0 312.323 0.749 10 0 DCAERM CCc1nc(=N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)s[n-]1 ZINC000408240395 160067211 /nfs/dbraw/zinc/06/72/11/160067211.db2.gz CHTHIVDDYVRQMW-RKDXNWHRSA-N -1 0 304.441 0.795 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408249856 160069183 /nfs/dbraw/zinc/06/91/83/160069183.db2.gz CYTLBTYAPIGCMY-CHWSQXEVSA-N -1 0 318.439 0.733 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1coc(Br)c1 ZINC000408382923 160096793 /nfs/dbraw/zinc/09/67/93/160096793.db2.gz FPMOGPIBYRGOKC-ZETCQYMHSA-N -1 0 324.152 0.891 10 0 DCAERM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000408476076 160116154 /nfs/dbraw/zinc/11/61/54/160116154.db2.gz JJVURHQWRRDOJB-CQSZACIVSA-N -1 0 310.375 0.716 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408478863 160117047 /nfs/dbraw/zinc/11/70/47/160117047.db2.gz DSFONJUUTBEGGE-WOPDTQHZSA-N -1 0 305.396 0.817 10 0 DCAERM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCOCC2)cn1 ZINC000408477428 160117157 /nfs/dbraw/zinc/11/71/57/160117157.db2.gz APOINZUMYCVBBB-JTQLQIEISA-N -1 0 314.363 0.712 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408483124 160117792 /nfs/dbraw/zinc/11/77/92/160117792.db2.gz WFSYGWZFTFBRSQ-NEPJUHHUSA-N -1 0 304.412 0.486 10 0 DCAERM CC[C@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408482708 160117949 /nfs/dbraw/zinc/11/79/49/160117949.db2.gz LECZTNKLTMUHCJ-GHMZBOCLSA-N -1 0 315.395 0.739 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)cnn1C ZINC000408487205 160118589 /nfs/dbraw/zinc/11/85/89/160118589.db2.gz VHHKEVWCZAWPGE-VIFPVBQESA-N -1 0 323.378 0.062 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@@H]1CCc2n[nH]cc2C1 ZINC000408489055 160118967 /nfs/dbraw/zinc/11/89/67/160118967.db2.gz PGMBNVFXFNABIB-MWLCHTKSSA-N -1 0 313.379 0.140 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccc(Br)cn1 ZINC000357080003 287203517 /nfs/dbraw/zinc/20/35/17/287203517.db2.gz RFSXFKFWUHYVKB-UHFFFAOYSA-N -1 0 309.127 0.776 10 0 DCAERM CCn1cnc(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)c1 ZINC000092890279 415542105 /nfs/dbraw/zinc/54/21/05/415542105.db2.gz XEQFNJHOQGCDMA-UHFFFAOYSA-N -1 0 316.364 0.536 10 0 DCAERM C[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)CCS1(=O)=O ZINC000133763824 415951311 /nfs/dbraw/zinc/95/13/11/415951311.db2.gz UKLQKOVEYDQNHK-GFCCVEGCSA-N -1 0 312.391 0.353 10 0 DCAERM CN(C)C(=O)Nc1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357047149 416026037 /nfs/dbraw/zinc/02/60/37/416026037.db2.gz LITCGODBMGOCIB-UHFFFAOYSA-N -1 0 315.337 0.712 10 0 DCAERM C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)C[C@H]1N1CCOCC1 ZINC000179524099 416189465 /nfs/dbraw/zinc/18/94/65/416189465.db2.gz HVVSNXYFOJPSQA-VMDGIJPJSA-N -1 0 317.389 0.980 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000263035768 416337327 /nfs/dbraw/zinc/33/73/27/416337327.db2.gz CXOGKRACRBLGDT-KOLCDFICSA-N -1 0 306.384 0.170 10 0 DCAERM C[C@H]1CC[C@@H](CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)O1 ZINC000439151734 416607769 /nfs/dbraw/zinc/60/77/69/416607769.db2.gz KUOJNBJCKULLJJ-YUMQZZPRSA-N -1 0 302.356 0.494 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)c2cccc3cc[nH]c32)n[n-]1 ZINC000439147242 416608397 /nfs/dbraw/zinc/60/83/97/416608397.db2.gz MAQBZMLRWJVRNT-UHFFFAOYSA-N -1 0 305.319 0.942 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@@H]2OCCc3ccccc32)n[n-]1 ZINC000441830172 416681033 /nfs/dbraw/zinc/68/10/33/416681033.db2.gz YTEJBFJXPWHWDK-SNVBAGLBSA-N -1 0 322.346 0.461 10 0 DCAERM CCC(=O)N[C@@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC000439915234 416622916 /nfs/dbraw/zinc/62/29/16/416622916.db2.gz WXIRKNOONJORDX-SECBINFHSA-N -1 0 306.322 0.306 10 0 DCAERM Cc1nc2cc[n-]n2c(=O)c1CC(=O)NCCOCC1CCC1 ZINC000558649216 416782326 /nfs/dbraw/zinc/78/23/26/416782326.db2.gz SMSJMAIHKNULIQ-UHFFFAOYSA-N -1 0 318.377 0.806 10 0 DCAERM Cc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)[O-])o1 ZINC000565604407 416996598 /nfs/dbraw/zinc/99/65/98/416996598.db2.gz RDRLAPNAGLBAPN-SECBINFHSA-N -1 0 303.336 0.841 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000447589156 417008113 /nfs/dbraw/zinc/00/81/13/417008113.db2.gz XAYXWRLISCBHEH-GFCCVEGCSA-N -1 0 315.333 0.787 10 0 DCAERM Cc1sc(NC2CCN(S(C)(=O)=O)CC2)nc1C(=O)[O-] ZINC000400209511 417110601 /nfs/dbraw/zinc/11/06/01/417110601.db2.gz JGQPIOADSDHGDD-UHFFFAOYSA-N -1 0 319.408 0.986 10 0 DCAERM CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408131418 417144116 /nfs/dbraw/zinc/14/41/16/417144116.db2.gz HJNAECIHOVHJKB-IUCAKERBSA-N -1 0 317.367 0.575 10 0 DCAERM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOC(C)C ZINC000643971921 417427820 /nfs/dbraw/zinc/42/78/20/417427820.db2.gz GLDNXMOOPLVIMG-LBPRGKRZSA-N -1 0 309.384 0.307 10 0 DCAERM CCOC(=O)[C@H]1CN(C(=O)c2ncccc2O)CC12COC2 ZINC000452254081 417462430 /nfs/dbraw/zinc/46/24/30/417462430.db2.gz FNEWYZXBOWUEMC-SNVBAGLBSA-N -1 0 306.318 0.439 10 0 DCAERM O=C(NC[C@H](CO)C1CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000359778058 261767695 /nfs/dbraw/zinc/76/76/95/261767695.db2.gz LXTJEHDUHLAGTP-SECBINFHSA-N -1 0 304.306 0.184 10 0 DCAERM Cc1nn(C)c2nc(C)cc(C(=O)NC3(c4nnn[n-]4)CC3)c12 ZINC000357056808 271039766 /nfs/dbraw/zinc/03/97/66/271039766.db2.gz XYDMPTDOTJZSLZ-UHFFFAOYSA-N -1 0 312.337 0.517 10 0 DCAERM CC(=O)N(C)c1cccc(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000435376545 271562666 /nfs/dbraw/zinc/56/26/66/271562666.db2.gz RJYTTZAWNQGWDD-UHFFFAOYSA-N -1 0 316.317 0.721 10 0 DCAERM CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cn(CC)cn1 ZINC000515081920 272417720 /nfs/dbraw/zinc/41/77/20/272417720.db2.gz RERBCOJGYPNPPJ-ZJUUUORDSA-N -1 0 301.368 0.777 10 0 DCAERM CC(C)C[C@H](CNC(=O)N[C@@H](C(N)=O)C(C)(C)C)C(=O)[O-] ZINC000263070767 279154895 /nfs/dbraw/zinc/15/48/95/279154895.db2.gz PIIZXJDHEMTYND-ZJUUUORDSA-N -1 0 301.387 0.933 10 0 DCAERM CCCc1nc(=NC(=O)c2ccnc3c2nnn3C)s[n-]1 ZINC000548872400 288183559 /nfs/dbraw/zinc/18/35/59/288183559.db2.gz NVSPKVHOBMFMOG-UHFFFAOYSA-N -1 0 303.351 0.842 10 0 DCAERM COC[C@H](NC(=O)CCc1cc(OC)ccc1OC)C(=O)[O-] ZINC000262950837 293122669 /nfs/dbraw/zinc/12/26/69/293122669.db2.gz LGTCVNZPKCATGV-LBPRGKRZSA-N -1 0 311.334 0.852 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000262413695 293922308 /nfs/dbraw/zinc/92/23/08/293922308.db2.gz DIGHPBTYUGVANX-RAIGVLPGSA-N -1 0 324.377 0.478 10 0 DCAERM CSCCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262195172 295589080 /nfs/dbraw/zinc/58/90/80/295589080.db2.gz NWCNSCNZOUYZPE-JTQLQIEISA-N -1 0 302.396 0.521 10 0 DCAERM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000262974100 298311672 /nfs/dbraw/zinc/31/16/72/298311672.db2.gz MAPSHRDOEYKKNF-GLXFQSAKSA-N -1 0 322.365 0.309 10 0 DCAERM C/C=C\C[C@H](NC(=O)NCCCO[C@H]1CCOC1)C(=O)[O-] ZINC000582464559 337093027 /nfs/dbraw/zinc/09/30/27/337093027.db2.gz XWXNKQPZDDGXSW-KRURLVKSSA-N -1 0 300.355 0.901 10 0 DCAERM CO[C@@]1(CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])CCOC1 ZINC000160999683 523815067 /nfs/dbraw/zinc/81/50/67/523815067.db2.gz MOOYJWRMMVOOEG-SMDDNHRTSA-N -1 0 302.371 0.838 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)n1 ZINC000158955567 524986326 /nfs/dbraw/zinc/98/63/26/524986326.db2.gz LYTHNLQNQVGXGG-UHFFFAOYSA-N -1 0 314.323 0.631 10 0 DCAERM Cc1ccc(S([O-])=CC(=O)N2CCC[C@H](C(N)=O)C2)nc1 ZINC000157099233 526090964 /nfs/dbraw/zinc/09/09/64/526090964.db2.gz WNBZBMRYSPEKAY-MQJDWESPSA-N -1 0 309.391 0.222 10 0 DCAERM C[C@@H](C(=O)[O-])N(C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000054054101 545657882 /nfs/dbraw/zinc/65/78/82/545657882.db2.gz LYWLUKNHNBORIW-ZETCQYMHSA-N -1 0 301.324 0.271 10 0 DCAERM C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc(C(=O)[O-])cs1 ZINC000090941393 545715633 /nfs/dbraw/zinc/71/56/33/545715633.db2.gz CRRGYLYHHPGAPY-LURJTMIESA-N -1 0 316.364 0.614 10 0 DCAERM C[C@H]1OCC[C@@H]1Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000149926993 545810684 /nfs/dbraw/zinc/81/06/84/545810684.db2.gz PIQXUWSXAQYWGL-XCBNKYQSSA-N -1 0 300.336 0.622 10 0 DCAERM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000235321204 545950358 /nfs/dbraw/zinc/95/03/58/545950358.db2.gz RPGOHUYQJMMXOQ-NXEZZACHSA-N -1 0 304.368 0.022 10 0 DCAERM Cc1n[nH]cc1S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000284923725 546001808 /nfs/dbraw/zinc/00/18/08/546001808.db2.gz BYTASHNVYAVDFA-ZETCQYMHSA-N -1 0 309.294 0.449 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1OCCc2ccccc21 ZINC000160554531 658214739 /nfs/dbraw/zinc/21/47/39/658214739.db2.gz ZYOWLWFVBPATMQ-ZDUSSCGKSA-N -1 0 310.375 0.757 10 0 DCAERM COc1ccc(OC)c(S(=O)(=O)NC/C=C/C(=O)[O-])c1 ZINC000312966477 659765896 /nfs/dbraw/zinc/76/58/96/659765896.db2.gz OHRDRIXAEFUTJC-ONEGZZNKSA-N -1 0 301.320 0.623 10 0 DCAERM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CSC(=O)N2)C[C@H]1C(F)(F)F ZINC000262138629 662106785 /nfs/dbraw/zinc/10/67/85/662106785.db2.gz GYHLXGOWYAUYGL-PBXRRBTRSA-N -1 0 312.269 0.533 10 0 DCAERM O=C([O-])[C@]1(NC(=O)c2cccc(-n3cncn3)c2)CCSC1 ZINC000262176811 662141344 /nfs/dbraw/zinc/14/13/44/662141344.db2.gz OKIRHZZJDDDRFQ-AWEZNQCLSA-N -1 0 318.358 0.957 10 0 DCAERM O=C([O-])c1ccc(CNC(=O)NC[C@H]2CC[C@@H](CO)O2)cc1 ZINC000263366833 662678415 /nfs/dbraw/zinc/67/84/15/662678415.db2.gz LSHATERFTDDDOR-OLZOCXBDSA-N -1 0 308.334 0.724 10 0 DCAERM O=C([O-])[C@@H]1CN(c2cncc(OCCO)n2)C[C@H]1C(F)(F)F ZINC000263556898 662715940 /nfs/dbraw/zinc/71/59/40/662715940.db2.gz OWXAIMPDFVMUMK-HTQZYQBOSA-N -1 0 321.255 0.547 10 0 DCAERM COCc1nc(=NC(=O)c2ccnc3[nH]c(C)nc32)s[n-]1 ZINC000436106925 663415768 /nfs/dbraw/zinc/41/57/68/663415768.db2.gz FMZQGKJLJAWWFS-UHFFFAOYSA-N -1 0 304.335 0.938 10 0 DCAERM Cn1ncnc1C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000228011651 664542907 /nfs/dbraw/zinc/54/29/07/664542907.db2.gz CAGAHUGZEOBUBD-LLVKDONJSA-N -1 0 304.306 0.737 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCCCC1)c1n[nH]c2c1CCCC2 ZINC000132281425 666267304 /nfs/dbraw/zinc/26/73/04/666267304.db2.gz XKDNZFITZVPHEK-UHFFFAOYSA-N -1 0 312.395 0.749 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NCCOCCF)ccc1F ZINC000702562775 666969740 /nfs/dbraw/zinc/96/97/40/666969740.db2.gz HWBBLLRIHPQUGO-UHFFFAOYSA-N -1 0 309.290 0.788 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)O1 ZINC000124083940 667896212 /nfs/dbraw/zinc/89/62/12/667896212.db2.gz TXKKOIIERBMBPV-ZWNOBZJWSA-N -1 0 310.375 0.978 10 0 DCAERM CCOCCS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000125743229 668411232 /nfs/dbraw/zinc/41/12/32/668411232.db2.gz BLBSEJHQEHRYES-UHFFFAOYSA-N -1 0 301.368 0.316 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])cc1 ZINC000128896163 669314660 /nfs/dbraw/zinc/31/46/60/669314660.db2.gz MIIKSWNYXDIWPY-VIFPVBQESA-N -1 0 314.363 0.435 10 0 DCAERM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000131116494 669655832 /nfs/dbraw/zinc/65/58/32/669655832.db2.gz NOLUYECUBPFZAO-UHFFFAOYSA-N -1 0 316.354 0.855 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCCCC1)c1cn2ccnc2s1 ZINC000190779675 669924587 /nfs/dbraw/zinc/92/45/87/669924587.db2.gz UWKGWLSOGFCXAE-UHFFFAOYSA-N -1 0 314.392 0.856 10 0 DCAERM C[C@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)CCN1CCO ZINC000188743859 670042258 /nfs/dbraw/zinc/04/22/58/670042258.db2.gz JNAXMQBWXYWSQE-NSHDSACASA-N -1 0 316.361 0.062 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCO[C@H]1C ZINC000192186265 670136279 /nfs/dbraw/zinc/13/62/79/670136279.db2.gz XHCTVKGNFPGESP-WPRPVWTQSA-N -1 0 302.352 0.911 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(-c2ncon2)cc1 ZINC000107410719 670646008 /nfs/dbraw/zinc/64/60/08/670646008.db2.gz MHYYRBPCHPZRAJ-UHFFFAOYSA-N -1 0 322.346 0.807 10 0 DCAERM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000111570789 671265757 /nfs/dbraw/zinc/26/57/57/671265757.db2.gz BHLCZROODRDBPR-VHSXEESVSA-N -1 0 314.345 0.649 10 0 DCAERM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1c[nH]cn1 ZINC000383645368 1158149816 /nfs/dbraw/zinc/14/98/16/1158149816.db2.gz GJIFFVMDGGIOCL-UHFFFAOYSA-N -1 0 300.271 0.936 10 0 DCAERM C[C@H](NC(=O)NCc1nn(C)cc1Br)C(=O)[O-] ZINC000393289786 685263906 /nfs/dbraw/zinc/26/39/06/685263906.db2.gz FRBMTCFEVNSXSY-YFKPBYRVSA-N -1 0 305.132 0.455 10 0 DCAERM COC1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000394488269 685267061 /nfs/dbraw/zinc/26/70/61/685267061.db2.gz ZLZPTWZLSQWDGS-SNVBAGLBSA-N -1 0 307.368 0.061 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](CO)CC2)c[nH]1 ZINC000381242620 685238361 /nfs/dbraw/zinc/23/83/61/685238361.db2.gz SGYSSVIQPXMZPP-SECBINFHSA-N -1 0 302.352 0.496 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC000261600581 1157488980 /nfs/dbraw/zinc/48/89/80/1157488980.db2.gz BNMUYXBVWZGGKI-GHMZBOCLSA-N -1 0 307.306 0.491 10 0 DCAERM O=C([O-])[C@@H]1CCCN(C(=O)CCn2nc3ccccn3c2=O)C1 ZINC000136134298 1177533939 /nfs/dbraw/zinc/53/39/39/1177533939.db2.gz XUKORQYTKAXMPM-LLVKDONJSA-N -1 0 318.333 0.209 10 0 DCAERM CCN(CCC(=O)[O-])C(=O)CCn1nc2ccccn2c1=O ZINC000237025111 1180781120 /nfs/dbraw/zinc/78/11/20/1180781120.db2.gz FVZBXIQIAVFVRO-UHFFFAOYSA-N -1 0 306.322 0.209 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC000262091947 1185161070 /nfs/dbraw/zinc/16/10/70/1185161070.db2.gz CQFRZWGZXKNICN-JOYOIKCWSA-N -1 0 319.317 0.030 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000262270059 1185165312 /nfs/dbraw/zinc/16/53/12/1185165312.db2.gz ZZXQFKNVVMCUGJ-UHFFFAOYSA-N -1 0 314.363 0.913 10 0 DCAERM COc1ccc([C@@H](C)C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000262687826 1185170701 /nfs/dbraw/zinc/17/07/01/1185170701.db2.gz BFCFNBNNWAOTLP-SNVBAGLBSA-N -1 0 318.333 0.791 10 0 DCAERM CCOc1cccc(C(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000262796836 1185172351 /nfs/dbraw/zinc/17/23/51/1185172351.db2.gz LVNQYDYNQWAWPE-UHFFFAOYSA-N -1 0 304.306 0.691 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)c2cccc3c2CCC3)nn1 ZINC000262819802 1185172850 /nfs/dbraw/zinc/17/28/50/1185172850.db2.gz PLVCKBYBMKACJQ-UHFFFAOYSA-N -1 0 300.318 0.781 10 0 DCAERM CCN1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H](C)C1=O ZINC000263476712 1185178047 /nfs/dbraw/zinc/17/80/47/1185178047.db2.gz MTIITPVZWHCWIN-UNXYVOJBSA-N -1 0 311.382 0.892 10 0 DCAERM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263541759 1185180061 /nfs/dbraw/zinc/18/00/61/1185180061.db2.gz DIDIQSRNOXVYKJ-AEJSXWLSSA-N -1 0 305.352 0.207 10 0 DCAERM CC[C@@H](C)[C@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])OC ZINC000689222417 954646986 /nfs/dbraw/zinc/64/69/86/954646986.db2.gz IIJJFOAIIVOIAP-VWYCJHECSA-N -1 0 308.400 0.431 10 0 DCAERM C[C@@H]1C[C@H](CNS(=O)(=O)c2scnc2C(=O)[O-])[C@@H](C)O1 ZINC000686350710 976108114 /nfs/dbraw/zinc/10/81/14/976108114.db2.gz XUMHKSLQVAJQTG-BWZBUEFSSA-N -1 0 320.392 0.933 10 0 DCAERM C[C@@H](O)CN(C1CC1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000691511001 976359211 /nfs/dbraw/zinc/35/92/11/976359211.db2.gz GGFKNONTBNNHSN-ZCFIWIBFSA-N -1 0 306.365 0.375 10 0 DCAERM CON1CCC(NS(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000692084171 976402908 /nfs/dbraw/zinc/40/29/08/976402908.db2.gz FPFMXIUBTHCAEI-UHFFFAOYSA-N -1 0 321.380 0.145 10 0 DCAERM CCN(C(=O)NC/C=C(/C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000692419465 976458997 /nfs/dbraw/zinc/45/89/97/976458997.db2.gz RZIUVIPQACFISL-FWAPLPHYSA-N -1 0 304.368 0.236 10 0 DCAERM O=C([O-])[C@@H](CO)NC(=O)Cc1ccc(Br)cc1F ZINC000692788572 976546872 /nfs/dbraw/zinc/54/68/72/976546872.db2.gz ZAKGLSWXZSSYPL-SECBINFHSA-N -1 0 320.114 0.692 10 0 DCAERM Cc1nnc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])co2)[nH]1 ZINC000694171927 976674721 /nfs/dbraw/zinc/67/47/21/976674721.db2.gz FFABESILSCVDRJ-YFKPBYRVSA-N -1 0 300.296 0.444 10 0 DCAERM COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694213413 976683548 /nfs/dbraw/zinc/68/35/48/976683548.db2.gz VGUCKUGWMNQRFV-SSDOTTSWSA-N -1 0 305.308 0.407 10 0 DCAERM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(=O)NC ZINC000697821127 976863791 /nfs/dbraw/zinc/86/37/91/976863791.db2.gz LEMRINMPSRLDOW-SSDOTTSWSA-N -1 0 304.324 0.089 10 0 DCAERM O=C(NC1CC1)c1noc([C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC000328629271 231263805 /nfs/dbraw/zinc/26/38/05/231263805.db2.gz IBUWUMCXVNJQJQ-QMMMGPOBSA-N -1 0 319.325 0.123 10 0 DCAERM CCCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](OC)C(=O)[O-] ZINC000262939002 282567733 /nfs/dbraw/zinc/56/77/33/282567733.db2.gz ZHGBYEXBBGBMHL-GHMZBOCLSA-N -1 0 300.355 0.383 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000262853089 295846283 /nfs/dbraw/zinc/84/62/83/295846283.db2.gz CBCGIOQTDDEMKS-WPRPVWTQSA-N -1 0 308.400 0.320 10 0 DCAERM CCCN(CC(=O)[O-])C(=O)CCn1nc2ccccn2c1=O ZINC000236910330 202067233 /nfs/dbraw/zinc/06/72/33/202067233.db2.gz JUBVHLODUMZCAZ-UHFFFAOYSA-N -1 0 306.322 0.209 10 0 DCAERM CCc1nc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)no1 ZINC000180298296 199143309 /nfs/dbraw/zinc/14/33/09/199143309.db2.gz OTMHWYOCNZTHJK-UHFFFAOYSA-N -1 0 310.335 0.792 10 0 DCAERM O=C([O-])C[C@H]1COCCN1C(=O)CN1CCc2ccccc21 ZINC000263347215 304084562 /nfs/dbraw/zinc/08/45/62/304084562.db2.gz ZNNMENQPLRWLNL-ZDUSSCGKSA-N -1 0 304.346 0.751 10 0 DCAERM NCC(F)(F)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000186995284 200045005 /nfs/dbraw/zinc/04/50/05/200045005.db2.gz VBEVDXBEOGSFKK-UHFFFAOYSA-N -1 0 304.240 0.976 10 0 DCAERM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000159674810 291235742 /nfs/dbraw/zinc/23/57/42/291235742.db2.gz CNOLJYYXJAHSGL-YPMHNXCESA-N -1 0 309.347 0.875 10 0 DCAERM CN(C(=O)NCC1(C(=O)[O-])CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000166725518 291248934 /nfs/dbraw/zinc/24/89/34/291248934.db2.gz TYDWDOCHZKEJSZ-VIFPVBQESA-N -1 0 304.368 0.070 10 0 DCAERM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263541765 291389936 /nfs/dbraw/zinc/38/99/36/291389936.db2.gz DIDIQSRNOXVYKJ-OPRDCNLKSA-N -1 0 305.352 0.207 10 0 DCAERM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)N1CCCCC1 ZINC000231932702 304161515 /nfs/dbraw/zinc/16/15/15/304161515.db2.gz QFCUMCAOBLGUKZ-WOPDTQHZSA-N -1 0 302.396 0.902 10 0 DCAERM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC000263179193 297343461 /nfs/dbraw/zinc/34/34/61/297343461.db2.gz KBWILQUSLLSEQC-RHYQMDGZSA-N -1 0 305.396 0.926 10 0 DCAERM C[C@@H](O)[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000022174026 182311775 /nfs/dbraw/zinc/31/17/75/182311775.db2.gz CESCQAYASBMOOL-HQJQHLMTSA-N -1 0 316.151 0.942 10 0 DCAERM CN(C1CCCCC1)S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000573769707 291653807 /nfs/dbraw/zinc/65/38/07/291653807.db2.gz ACJPOBCIJNIMLW-GWCFXTLKSA-N -1 0 302.396 0.902 10 0 DCAERM O=C([O-])[C@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1ccccc1 ZINC000092778474 304205654 /nfs/dbraw/zinc/20/56/54/304205654.db2.gz YROJNHUTBRFRBA-GFCCVEGCSA-N -1 0 307.331 0.610 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000040699288 183119762 /nfs/dbraw/zinc/11/97/62/183119762.db2.gz JPDQFYQNSGPPEO-SECBINFHSA-N -1 0 307.755 0.762 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000040699286 183120064 /nfs/dbraw/zinc/12/00/64/183120064.db2.gz JPDQFYQNSGPPEO-VIFPVBQESA-N -1 0 307.755 0.762 10 0 DCAERM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043509547 183368857 /nfs/dbraw/zinc/36/88/57/183368857.db2.gz PRJNQAJNUYLFKJ-OQPBUACISA-N -1 0 302.396 0.614 10 0 DCAERM Cc1csc(CCn2c(=O)[nH]nc2SCC(=O)[O-])n1 ZINC000063135700 184272793 /nfs/dbraw/zinc/27/27/93/184272793.db2.gz AYQWAJWCCZHQCF-UHFFFAOYSA-N -1 0 300.365 0.756 10 0 DCAERM O=C([O-])c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000021161036 304240904 /nfs/dbraw/zinc/24/09/04/304240904.db2.gz UKTUQKMJTHAUQS-NSHDSACASA-N -1 0 306.343 0.629 10 0 DCAERM CN(C(=O)N1CC[C@H](CC(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000089715327 395714280 /nfs/dbraw/zinc/71/42/80/395714280.db2.gz RJYPMAWQTZQSTN-ZJUUUORDSA-N -1 0 304.368 0.022 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1cccc2cnccc21)C(=O)[O-] ZINC000036201304 395722554 /nfs/dbraw/zinc/72/25/54/395722554.db2.gz VBAOLWDPLUJIQF-PRHODGIISA-N -1 0 310.331 0.347 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000037405858 395726801 /nfs/dbraw/zinc/72/68/01/395726801.db2.gz TXNDDKJRPLOOBZ-MLUIRONXSA-N -1 0 311.718 0.591 10 0 DCAERM O=C([O-])c1ccc(NC(=O)N2CCS(=O)(=O)CC2)c(O)c1 ZINC000040581676 395734222 /nfs/dbraw/zinc/73/42/22/395734222.db2.gz FMFKLLYBYPDBNG-UHFFFAOYSA-N -1 0 314.319 0.353 10 0 DCAERM O=C([O-])CC[C@H]1CCCCN1S(=O)(=O)N1CCOCC1 ZINC000050923204 395843746 /nfs/dbraw/zinc/84/37/46/395843746.db2.gz XLNPMZMLLWGTDR-LLVKDONJSA-N -1 0 306.384 0.283 10 0 DCAERM COC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C(C)C ZINC000116758831 395844821 /nfs/dbraw/zinc/84/48/21/395844821.db2.gz FJYSTSDLFFNWLT-YUMQZZPRSA-N -1 0 308.281 0.688 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])no1 ZINC000125665500 395905004 /nfs/dbraw/zinc/90/50/04/395905004.db2.gz DAUJTSYTYKHSDW-GZMMTYOYSA-N -1 0 302.352 0.998 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000130819710 395923501 /nfs/dbraw/zinc/92/35/01/395923501.db2.gz TZIXXDMWFDAMHM-GFCCVEGCSA-N -1 0 309.347 0.833 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)N2CCCCCC2)C(=O)[O-])cn1 ZINC000130821851 395924203 /nfs/dbraw/zinc/92/42/03/395924203.db2.gz OCQQUJHQZHMBCE-LLVKDONJSA-N -1 0 316.383 0.256 10 0 DCAERM C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCS1(=O)=O ZINC000131834153 395925571 /nfs/dbraw/zinc/92/55/71/395925571.db2.gz CCPVDJVRFBMDFS-SSDOTTSWSA-N -1 0 305.302 0.930 10 0 DCAERM CC[C@@H](CNS(=O)(=O)c1c(Cl)cnn1C)CC(=O)[O-] ZINC000227865732 395869914 /nfs/dbraw/zinc/86/99/14/395869914.db2.gz HHPFYCCUVQNKOV-SSDOTTSWSA-N -1 0 309.775 0.853 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)CCC(C)(C)C)C(=O)[O-])cn1 ZINC000230095255 395877933 /nfs/dbraw/zinc/87/79/33/395877933.db2.gz JFKZIYNLEMLZKY-SNVBAGLBSA-N -1 0 303.384 0.901 10 0 DCAERM C[C@H](CO)[C@H](C)NC(=O)CNS(=O)(=O)c1cccs1 ZINC000151936444 395997026 /nfs/dbraw/zinc/99/70/26/395997026.db2.gz ROHOTUJYUYKOJS-BDAKNGLRSA-N -1 0 306.409 0.160 10 0 DCAERM O=c1[n-]cnc(NC2(CO)CC2)c1I ZINC000165966190 396088493 /nfs/dbraw/zinc/08/84/93/396088493.db2.gz LGWOYPVRJVQDPB-UHFFFAOYSA-N -1 0 307.091 0.311 10 0 DCAERM CN(CCCC(=O)[O-])C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262662976 396169675 /nfs/dbraw/zinc/16/96/75/396169675.db2.gz UYLGTFJALGYYBL-UHFFFAOYSA-N -1 0 319.317 0.425 10 0 DCAERM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC(=O)[O-])c(C)o1 ZINC000262907458 396191578 /nfs/dbraw/zinc/19/15/78/396191578.db2.gz HBFQEKZFDDODHK-ZETCQYMHSA-N -1 0 318.351 0.479 10 0 DCAERM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccnc(N3CCOCC3)n2)C1 ZINC000263076915 396200499 /nfs/dbraw/zinc/20/04/99/396200499.db2.gz BATXACJXYDIKLM-NWDGAFQWSA-N -1 0 306.366 0.860 10 0 DCAERM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccnc(N3CCOCC3)n2)C1 ZINC000263076916 396200534 /nfs/dbraw/zinc/20/05/34/396200534.db2.gz BATXACJXYDIKLM-RYUDHWBXSA-N -1 0 306.366 0.860 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263153551 396203341 /nfs/dbraw/zinc/20/33/41/396203341.db2.gz HSWKNMSGUXDOOM-HTRCEHHLSA-N -1 0 303.340 0.439 10 0 DCAERM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263319491 396213764 /nfs/dbraw/zinc/21/37/64/396213764.db2.gz ILKSILVMKXRZQH-CABZTGNLSA-N -1 0 305.334 0.851 10 0 DCAERM CC(=O)c1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)n(C)c1 ZINC000533572652 396606458 /nfs/dbraw/zinc/60/64/58/396606458.db2.gz KFHXVQAJIZOGND-JTQLQIEISA-N -1 0 302.338 0.761 10 0 DCAERM Cc1c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cnn1C ZINC000312686804 396766362 /nfs/dbraw/zinc/76/63/62/396766362.db2.gz LZQUVACIUOLFAM-VHSXEESVSA-N -1 0 301.368 0.650 10 0 DCAERM CC(=O)c1cc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)n(C)c1 ZINC000630336103 396986132 /nfs/dbraw/zinc/98/61/32/396986132.db2.gz NSLMXQCKWSMXSW-OAHLLOKOSA-N -1 0 308.334 0.839 10 0 DCAERM O=C([O-])[C@]1(CNS(=O)(=O)c2ccsc2)CCCOC1 ZINC000630431694 397019755 /nfs/dbraw/zinc/01/97/55/397019755.db2.gz HDZRUSGWEGPXNV-NSHDSACASA-N -1 0 305.377 0.908 10 0 DCAERM COCCCS(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000380472618 397269478 /nfs/dbraw/zinc/26/94/78/397269478.db2.gz UKJOBLQRQWGASW-QMMMGPOBSA-N -1 0 321.317 0.986 10 0 DCAERM CCN(CC(F)F)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000385859864 397286829 /nfs/dbraw/zinc/28/68/29/397286829.db2.gz JCIBPHZYOMQGIV-UHFFFAOYSA-N -1 0 300.327 0.615 10 0 DCAERM CCO[C@@H]1C[C@@](NC(=O)[C@H](C)NC(C)=O)(C(=O)[O-])C1(C)C ZINC000262824482 286309065 /nfs/dbraw/zinc/30/90/65/286309065.db2.gz QCNDQAGPEYHPEL-LLHLLMPMSA-N -1 0 300.355 0.286 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NCC1(C(=O)[O-])CC1 ZINC000166997569 158367380 /nfs/dbraw/zinc/36/73/80/158367380.db2.gz KWOCLJGGWKQNJN-UHFFFAOYSA-N -1 0 319.360 0.678 10 0 DCAERM O=C(CNC(=O)c1ccccn1)Nc1n[nH]c(-c2ccccn2)n1 ZINC000172522805 158394949 /nfs/dbraw/zinc/39/49/49/158394949.db2.gz WTEPUXUBHLJMGC-UHFFFAOYSA-N -1 0 323.316 0.630 10 0 DCAERM CC(C)N(CC(=O)[O-])C(=O)CCn1nc2ccccn2c1=O ZINC000178071443 158453536 /nfs/dbraw/zinc/45/35/36/158453536.db2.gz SSWQHVBGHZZDLF-UHFFFAOYSA-N -1 0 306.322 0.208 10 0 DCAERM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@H](OC)C(=O)[O-])C1 ZINC000263080521 158855746 /nfs/dbraw/zinc/85/57/46/158855746.db2.gz LFUIGPWHJAXDRW-SRVKXCTJSA-N -1 0 314.382 0.487 10 0 DCAERM COC[C@H](C)S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000368489670 159398429 /nfs/dbraw/zinc/39/84/29/159398429.db2.gz DUNMEGBOWBILIM-YUMQZZPRSA-N -1 0 301.311 0.393 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408452193 160110652 /nfs/dbraw/zinc/11/06/52/160110652.db2.gz OAKMHPDDEWKOFU-LLVKDONJSA-N -1 0 314.411 0.408 10 0 DCAERM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCCOC3)cc21 ZINC000408459021 160112926 /nfs/dbraw/zinc/11/29/26/160112926.db2.gz WLQPZBVRFLNYKV-SNVBAGLBSA-N -1 0 324.362 0.207 10 0 DCAERM Cc1cc(Br)oc1C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408476254 160116585 /nfs/dbraw/zinc/11/65/85/160116585.db2.gz KMEHPXRUTIMQQR-UHFFFAOYSA-N -1 0 324.152 0.809 10 0 DCAERM CO[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)CCOC1 ZINC000408478499 160117267 /nfs/dbraw/zinc/11/72/67/160117267.db2.gz JLMHRTURBMZHOX-NSHDSACASA-N -1 0 305.377 0.667 10 0 DCAERM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000408486449 160118329 /nfs/dbraw/zinc/11/83/29/160118329.db2.gz JGOWYEZIJBHPAG-ADEWGFFLSA-N -1 0 315.395 0.742 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)c2cccnn2)CO1 ZINC000408505134 160120413 /nfs/dbraw/zinc/12/04/13/160120413.db2.gz WEAXCGCZZQXLIR-UHFFFAOYSA-N -1 0 315.351 0.071 10 0 DCAERM CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408505926 160120807 /nfs/dbraw/zinc/12/08/07/160120807.db2.gz ZCVHWNCFQUUIFA-MNOVXSKESA-N -1 0 315.395 0.739 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000248428093 287096858 /nfs/dbraw/zinc/09/68/58/287096858.db2.gz QQBIZNYOILBWOC-NEPJUHHUSA-N -1 0 304.412 0.486 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccnc(N2CCCCC2)n1 ZINC000357054465 287203200 /nfs/dbraw/zinc/20/32/00/287203200.db2.gz UCMSBILYRYWGKA-UHFFFAOYSA-N -1 0 314.353 0.399 10 0 DCAERM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCCO1 ZINC000037656663 415195021 /nfs/dbraw/zinc/19/50/21/415195021.db2.gz CTEVURNGFJTVNW-KOLCDFICSA-N -1 0 306.384 0.185 10 0 DCAERM Cc1ccccc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000088715199 415517453 /nfs/dbraw/zinc/51/74/53/415517453.db2.gz MLVSXTHTQHUBCA-LLVKDONJSA-N -1 0 309.347 0.692 10 0 DCAERM Cc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c(F)c1 ZINC000279556954 415522298 /nfs/dbraw/zinc/52/22/98/415522298.db2.gz XBYJCNWEXKYDQJ-UHFFFAOYSA-N -1 0 301.299 0.331 10 0 DCAERM O=C([O-])C1(CNS(=O)(=O)c2cccnc2)CCOCC1 ZINC000165946649 416021434 /nfs/dbraw/zinc/02/14/34/416021434.db2.gz HWYVJRLEPPGBMN-UHFFFAOYSA-N -1 0 300.336 0.241 10 0 DCAERM COC(=O)Cn1cnc(-c2nc3ccc(O)cc3c(=O)[n-]2)n1 ZINC000436923444 416575003 /nfs/dbraw/zinc/57/50/03/416575003.db2.gz CJGLIPYWHNLZJJ-UHFFFAOYSA-N -1 0 301.262 0.473 10 0 DCAERM CC(=O)N1CCN(C(=O)CCc2nnn[n-]2)CC12CCCCC2 ZINC000632214487 416961605 /nfs/dbraw/zinc/96/16/05/416961605.db2.gz CFAUMIWTZNXIMU-UHFFFAOYSA-N -1 0 320.397 0.526 10 0 DCAERM CCO[C@@H]1C[C@@](NC(=O)NCCn2cccn2)(C(=O)[O-])C1(C)C ZINC000520788223 416977237 /nfs/dbraw/zinc/97/72/37/416977237.db2.gz ACDSRCGXTZGVFK-IAQYHMDHSA-N -1 0 324.381 0.841 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000405394883 417124418 /nfs/dbraw/zinc/12/44/18/417124418.db2.gz NUDKKVHPPQOADM-MRVPVSSYSA-N -1 0 321.786 0.853 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H]1C(C)C ZINC000408475556 417163055 /nfs/dbraw/zinc/16/30/55/417163055.db2.gz FRKFHSFIPPAUFB-IUCAKERBSA-N -1 0 317.367 0.431 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)CC[C@H]1C(=O)[O-] ZINC000526944291 417192102 /nfs/dbraw/zinc/19/21/02/417192102.db2.gz VRIDXFJSUCWQJH-GHMZBOCLSA-N -1 0 320.411 0.385 10 0 DCAERM CC(=O)N1CCC(NC(=O)CN2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000530205838 417551451 /nfs/dbraw/zinc/55/14/51/417551451.db2.gz IXNGVFWTRGBRFJ-HNNXBMFYSA-N -1 0 311.382 0.053 10 0 DCAERM O=C([O-])CNC(=O)CN1CC2(CCOCC2)c2ccccc21 ZINC000455644310 417613436 /nfs/dbraw/zinc/61/34/36/417613436.db2.gz UOCZFEPBURFLPL-UHFFFAOYSA-N -1 0 304.346 0.756 10 0 DCAERM CCCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000629307279 417776951 /nfs/dbraw/zinc/77/69/51/417776951.db2.gz CMKMIEQCQBRUJA-ZYHUDNBSSA-N -1 0 308.400 0.527 10 0 DCAERM C[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000646180012 417798720 /nfs/dbraw/zinc/79/87/20/417798720.db2.gz OYZQXKIBKJYQHV-LPEHRKFASA-N -1 0 304.368 0.068 10 0 DCAERM Cc1cc(CCNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)on1 ZINC000505822245 272393673 /nfs/dbraw/zinc/39/36/73/272393673.db2.gz XAAOJGQDKSLMBW-UHFFFAOYSA-N -1 0 313.335 0.541 10 0 DCAERM CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cn(CC)cn1 ZINC000515081917 272417133 /nfs/dbraw/zinc/41/71/33/272417133.db2.gz RERBCOJGYPNPPJ-UWVGGRQHSA-N -1 0 301.368 0.777 10 0 DCAERM Cc1nc(CNS(=O)(=O)N2CCC[C@@H]2C)sc1C(=O)[O-] ZINC000547557078 288057793 /nfs/dbraw/zinc/05/77/93/288057793.db2.gz IGFXNYLYUAEMGT-ZETCQYMHSA-N -1 0 319.408 0.968 10 0 DCAERM CC(C)[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408504496 280077153 /nfs/dbraw/zinc/07/71/53/280077153.db2.gz YICMBIAMWNVNKP-SRVKXCTJSA-N -1 0 305.396 0.673 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CO1 ZINC000408390924 281401697 /nfs/dbraw/zinc/40/16/97/281401697.db2.gz AWORGYRCCATXSF-JTQLQIEISA-N -1 0 321.395 0.401 10 0 DCAERM CC1(C)CC[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)O1 ZINC000555579253 288357606 /nfs/dbraw/zinc/35/76/06/288357606.db2.gz SBOBXXWAPPMFFN-MRVPVSSYSA-N -1 0 302.352 0.949 10 0 DCAERM COC[C@@H](C)S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000447828700 292791498 /nfs/dbraw/zinc/79/14/98/292791498.db2.gz GCGIZUYAUOROIO-APPZFPTMSA-N -1 0 315.317 0.978 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2COc3ccccc3O2)C1 ZINC000261961895 293276593 /nfs/dbraw/zinc/27/65/93/293276593.db2.gz XUTMEQOSVOBTQC-CJNGLKHVSA-N -1 0 321.329 0.776 10 0 DCAERM COCC[C@@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-] ZINC000214870512 332176673 /nfs/dbraw/zinc/17/66/73/332176673.db2.gz WCDRRAHDWINVQF-SSDOTTSWSA-N -1 0 307.290 0.738 10 0 DCAERM O=C([O-])[C@@H](CC1CC1)NC(=O)NCC1CCS(=O)(=O)CC1 ZINC000583478326 333366835 /nfs/dbraw/zinc/36/68/35/333366835.db2.gz ZWADCCZILGNQAO-LLVKDONJSA-N -1 0 318.395 0.364 10 0 DCAERM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000044615335 545650680 /nfs/dbraw/zinc/65/06/80/545650680.db2.gz AWFSGWBYWKBVKL-LLVKDONJSA-N -1 0 314.363 0.993 10 0 DCAERM CC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cnc2sccc2c1=O ZINC000044614958 545651692 /nfs/dbraw/zinc/65/16/92/545651692.db2.gz OSDXCNSUZOTNLN-VIFPVBQESA-N -1 0 309.347 0.780 10 0 DCAERM Cn1cc(S(=O)(=O)N2CCC(F)(F)[C@@H](C(=O)[O-])C2)cn1 ZINC000285303360 546001686 /nfs/dbraw/zinc/00/16/86/546001686.db2.gz YLIMYQMGXQRJQV-MRVPVSSYSA-N -1 0 309.294 0.151 10 0 DCAERM C#CCOc1ccc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000096544991 661251434 /nfs/dbraw/zinc/25/14/34/661251434.db2.gz UXKQCXHYKHXKMC-WQLSENKSSA-N -1 0 300.270 0.676 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1 ZINC000180112305 665422858 /nfs/dbraw/zinc/42/28/58/665422858.db2.gz DWCHFALFLVCVKB-UHFFFAOYSA-N -1 0 308.359 0.817 10 0 DCAERM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)[C@H]1CNC(=O)C1 ZINC000176234283 658006131 /nfs/dbraw/zinc/00/61/31/658006131.db2.gz XJJYGDONMSVAHX-SECBINFHSA-N -1 0 316.766 0.422 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CC(F)(F)C(F)(F)C2)c[nH]1 ZINC000313292474 659099271 /nfs/dbraw/zinc/09/92/71/659099271.db2.gz UPJBFCMBXUUWEM-UHFFFAOYSA-N -1 0 316.232 0.988 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCCOC ZINC000184697687 659228733 /nfs/dbraw/zinc/22/87/33/659228733.db2.gz ITFVNLAYTTXAFQ-GFCCVEGCSA-N -1 0 306.428 0.733 10 0 DCAERM O=C([O-])[C@H](NC(=O)c1ccc2nncn2c1)[C@H]1CCCOC1 ZINC000262763698 662571264 /nfs/dbraw/zinc/57/12/64/662571264.db2.gz KUOFQDJUYUCYOO-CMPLNLGQSA-N -1 0 304.306 0.339 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)O1 ZINC000263001726 662613450 /nfs/dbraw/zinc/61/34/50/662613450.db2.gz VCIBARVGUBDWQJ-IJLUTSLNSA-N -1 0 312.366 0.336 10 0 DCAERM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000263225528 662660081 /nfs/dbraw/zinc/66/00/81/662660081.db2.gz ZYVBPUYJWJGAQH-CHWSQXEVSA-N -1 0 304.346 0.715 10 0 DCAERM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000263436750 662688299 /nfs/dbraw/zinc/68/82/99/662688299.db2.gz LPZLHFRYXNIRIJ-BDAKNGLRSA-N -1 0 319.317 0.328 10 0 DCAERM Cc1nc(N(C)C)nc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n1 ZINC000263549445 662716629 /nfs/dbraw/zinc/71/66/29/662716629.db2.gz JRKFOSLIJKTGPE-HTQZYQBOSA-N -1 0 319.287 0.945 10 0 DCAERM COc1ccc(CCCNC(=O)c2cc(=O)[nH][n-]2)cc1OC ZINC000732277955 664911390 /nfs/dbraw/zinc/91/13/90/664911390.db2.gz WZRMTPONPKJCEW-UHFFFAOYSA-N -1 0 305.334 0.629 10 0 DCAERM C[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)[C@H]1CCCO1 ZINC000035216461 667465428 /nfs/dbraw/zinc/46/54/28/667465428.db2.gz ORWVTINEIZCYRX-QPUJVOFHSA-N -1 0 315.347 0.936 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000135215642 667579360 /nfs/dbraw/zinc/57/93/60/667579360.db2.gz XVCNKAPLEZQEHW-MRVPVSSYSA-N -1 0 318.317 0.801 10 0 DCAERM O=C([O-])[C@@]1(N2CCN(C(=O)c3cccc(F)c3)CC2)CCOC1 ZINC000886096886 667731436 /nfs/dbraw/zinc/73/14/36/667731436.db2.gz MYGWQKRTZSSJHI-MRXNPFEDSA-N -1 0 322.336 0.827 10 0 DCAERM Cc1nn(C)c(C)c1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000741959790 667779202 /nfs/dbraw/zinc/77/92/02/667779202.db2.gz QAKHKLLJOCVCNZ-UHFFFAOYSA-N -1 0 302.294 0.027 10 0 DCAERM COC[C@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)[O-] ZINC000158402872 669925384 /nfs/dbraw/zinc/92/53/84/669925384.db2.gz OZKRAPZLPJMGPD-QMMMGPOBSA-N -1 0 300.336 0.036 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000036961527 670209509 /nfs/dbraw/zinc/20/95/09/670209509.db2.gz SKUBLJJOXVMWMF-CPCISQLKSA-N -1 0 321.301 0.827 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])C(=O)c1cccc(Cl)n1 ZINC000715771941 670221413 /nfs/dbraw/zinc/22/14/13/670221413.db2.gz WMZJNGVCNHFFEV-UHFFFAOYSA-N -1 0 300.698 0.825 10 0 DCAERM CCc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)oc1CC ZINC000193011320 670221469 /nfs/dbraw/zinc/22/14/69/670221469.db2.gz ZUOZHTRUXSSKRV-UHFFFAOYSA-N -1 0 316.379 0.600 10 0 DCAERM CO[C@]1(CNC(=O)N[C@H](CC(F)F)C(=O)[O-])CCSC1 ZINC000719225622 685309339 /nfs/dbraw/zinc/30/93/39/685309339.db2.gz BOEWWLZRXONOTG-HQJQHLMTSA-N -1 0 312.338 0.916 10 0 DCAERM CCO[C@]1(C(=O)NCc2ncc(C(=O)[O-])s2)CCOC1 ZINC000720654250 685314634 /nfs/dbraw/zinc/31/46/34/685314634.db2.gz DILSIIYCFFDONN-GFCCVEGCSA-N -1 0 300.336 0.653 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC000721763723 685319303 /nfs/dbraw/zinc/31/93/03/685319303.db2.gz NUOIWDPEUSXHDV-BKPPORCPSA-N -1 0 319.770 0.415 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000083735574 685085184 /nfs/dbraw/zinc/08/51/84/685085184.db2.gz HDIRJBXKRBHCSH-JOYOIKCWSA-N -1 0 321.420 0.372 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000261611820 1184464433 /nfs/dbraw/zinc/46/44/33/1184464433.db2.gz DZBRJKCNSWVDSS-OLZOCXBDSA-N -1 0 306.318 0.959 10 0 DCAERM COc1ccc(OCC(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])cc1 ZINC000261651390 1184651807 /nfs/dbraw/zinc/65/18/07/1184651807.db2.gz JRSIDULDOKWIJD-OLZOCXBDSA-N -1 0 309.318 0.775 10 0 DCAERM COc1cccc(OCC(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000262126849 1185162902 /nfs/dbraw/zinc/16/29/02/1185162902.db2.gz JRKMZPOBXYRVQF-CHWSQXEVSA-N -1 0 309.318 0.775 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)nnn3C)C1 ZINC000262217283 1185164083 /nfs/dbraw/zinc/16/40/83/1185164083.db2.gz ZCGYQIIWWHNRKY-JOYOIKCWSA-N -1 0 304.306 0.282 10 0 DCAERM CO[C@@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1(C)C ZINC000689244993 954649967 /nfs/dbraw/zinc/64/99/67/954649967.db2.gz WWTYUERBBJULJK-IVZWLZJFSA-N -1 0 306.384 0.183 10 0 DCAERM O=C([O-])C1=NO[C@@H](C(=O)NCCSCC(F)(F)F)C1 ZINC000698882109 954846955 /nfs/dbraw/zinc/84/69/55/954846955.db2.gz BMFJXWMWKAJUDO-ZCFIWIBFSA-N -1 0 300.258 0.628 10 0 DCAERM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1CCCCS1(=O)=O ZINC000692577590 968915137 /nfs/dbraw/zinc/91/51/37/968915137.db2.gz OROVMQCKRHFSBG-JTQLQIEISA-N -1 0 305.396 0.913 10 0 DCAERM O=C([O-])CS(=O)(=O)CCN1CCO[C@H](CC(F)(F)F)C1 ZINC000699029961 968973963 /nfs/dbraw/zinc/97/39/63/968973963.db2.gz IWUBFTOVVDBHRT-MRVPVSSYSA-N -1 0 319.301 0.139 10 0 DCAERM CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000689231299 976243875 /nfs/dbraw/zinc/24/38/75/976243875.db2.gz MILBASDCZJEQAJ-DTWKUNHWSA-N -1 0 303.336 0.759 10 0 DCAERM C[C@@H](O)CN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000691517271 976361276 /nfs/dbraw/zinc/36/12/76/976361276.db2.gz YQLPASREHLNYCJ-SSDOTTSWSA-N -1 0 305.377 0.980 10 0 DCAERM C/C(=C\CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000692446584 976482693 /nfs/dbraw/zinc/48/26/93/976482693.db2.gz RRKSHEZBEOYZLS-CYNRKNSPSA-N -1 0 304.368 0.236 10 0 DCAERM Cn1ncc(Br)c1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693028633 976570290 /nfs/dbraw/zinc/57/02/90/976570290.db2.gz GLMRSSOGWZWYMA-IZLXSQMJSA-N -1 0 302.128 0.776 10 0 DCAERM Cn1cc(Br)c(C(=O)N[C@H](C(=O)[O-])C2CC2)n1 ZINC000693066489 976586783 /nfs/dbraw/zinc/58/67/83/976586783.db2.gz UBJTZIUIHUMQQE-ZETCQYMHSA-N -1 0 302.128 0.776 10 0 DCAERM COC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C ZINC000694211117 976682756 /nfs/dbraw/zinc/68/27/56/976682756.db2.gz IFVBPIKRFOBSNL-SECBINFHSA-N -1 0 305.308 0.454 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@]1(C)CO ZINC000694666628 976708924 /nfs/dbraw/zinc/70/89/24/976708924.db2.gz KSXHEWOBGUDGEU-PRHODGIISA-N -1 0 302.352 0.352 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@H](C3CC3)C2)on1 ZINC000695331129 976792087 /nfs/dbraw/zinc/79/20/87/976792087.db2.gz GYICGAXPLCZFKI-VIFPVBQESA-N -1 0 302.308 0.172 10 0 DCAERM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C1(CO)CC1 ZINC000696040882 976806658 /nfs/dbraw/zinc/80/66/58/976806658.db2.gz FCHZLEHIRQFHPH-QMMMGPOBSA-N -1 0 302.352 0.163 10 0 DCAERM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C1(CO)CC1 ZINC000696040880 976806983 /nfs/dbraw/zinc/80/69/83/976806983.db2.gz FCHZLEHIRQFHPH-MRVPVSSYSA-N -1 0 302.352 0.163 10 0 DCAERM C[C@@H](CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000697601307 976853133 /nfs/dbraw/zinc/85/31/33/976853133.db2.gz ZFNWAJPPMLAMMX-WCBMZHEXSA-N -1 0 306.384 0.220 10 0 DCAERM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(=O)NC ZINC000697821137 976863600 /nfs/dbraw/zinc/86/36/00/976863600.db2.gz LEMRINMPSRLDOW-ZETCQYMHSA-N -1 0 304.324 0.089 10 0 DCAERM O=C([O-])COc1ccc(S(=O)(=O)NCC2CSC2)cc1 ZINC000697965027 976872527 /nfs/dbraw/zinc/87/25/27/976872527.db2.gz RJSHYOVXCMTWLR-UHFFFAOYSA-N -1 0 317.388 0.791 10 0 DCAERM CC(C)(C)OC(=O)[C@H]1CN([C@H](C(=O)[O-])c2cccnc2)[C@@H]1N ZINC000090624538 185307238 /nfs/dbraw/zinc/30/72/38/185307238.db2.gz SHWYQKSSZUTCAC-SRVKXCTJSA-N -1 0 307.350 0.766 10 0 DCAERM CC(=O)c1cccc(O[C@@H](C)C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280036701 215328443 /nfs/dbraw/zinc/32/84/43/215328443.db2.gz FWEMIOYNULMBSI-JTQLQIEISA-N -1 0 319.317 0.692 10 0 DCAERM Cc1c2c(cc(=O)n1CCO)[n-]n(-c1ccc(F)cc1)c2=O ZINC000072445909 191169291 /nfs/dbraw/zinc/16/92/91/191169291.db2.gz JMUPIBRKBMFWRQ-UHFFFAOYSA-N -1 0 303.293 0.920 10 0 DCAERM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000408478073 303253660 /nfs/dbraw/zinc/25/36/60/303253660.db2.gz PQUWHOFWTNASNE-BQBZGAKWSA-N -1 0 316.301 0.286 10 0 DCAERM CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000236935466 202078532 /nfs/dbraw/zinc/07/85/32/202078532.db2.gz IUANJZAHNNDOCU-XHDPSFHLSA-N -1 0 306.362 0.961 10 0 DCAERM C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000159674714 291235747 /nfs/dbraw/zinc/23/57/47/291235747.db2.gz CNOLJYYXJAHSGL-WCQYABFASA-N -1 0 309.347 0.875 10 0 DCAERM Cc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)s1 ZINC000167254343 291248915 /nfs/dbraw/zinc/24/89/15/291248915.db2.gz PUENOLOQHIDJRI-UHFFFAOYSA-N -1 0 316.364 0.211 10 0 DCAERM O=C([O-])[C@@H]1[NH2+]CCN(C(=O)c2ccc(Cl)cc2)[C@H]1C(=O)[O-] ZINC000006092697 304154732 /nfs/dbraw/zinc/15/47/32/304154732.db2.gz YWCVPDCUINPDGB-NXEZZACHSA-N -1 0 312.709 0.292 10 0 DCAERM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC000263179196 297343465 /nfs/dbraw/zinc/34/34/65/297343465.db2.gz KBWILQUSLLSEQC-WISYIIOYSA-N -1 0 305.396 0.926 10 0 DCAERM CS(=O)(=O)CC[C@H](NC(=O)Cc1cccs1)C(=O)[O-] ZINC000021008857 182259286 /nfs/dbraw/zinc/25/92/86/182259286.db2.gz PRWKYTKLPVTCIG-VIFPVBQESA-N -1 0 305.377 0.295 10 0 DCAERM Cc1ccsc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000021015966 182260943 /nfs/dbraw/zinc/26/09/43/182260943.db2.gz CYAUWBQVWXZBHG-MRVPVSSYSA-N -1 0 305.377 0.674 10 0 DCAERM CS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000043700388 183381805 /nfs/dbraw/zinc/38/18/05/183381805.db2.gz LQNLVOIAUMOCKU-NSHDSACASA-N -1 0 313.331 0.016 10 0 DCAERM C[C@@H]1CCCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H]1C(=O)[O-] ZINC000300296337 296369986 /nfs/dbraw/zinc/36/99/86/296369986.db2.gz BNCFMAUJMKFYSK-JFGNBEQYSA-N -1 0 303.380 0.523 10 0 DCAERM C[C@H](CCC[C@H](C)NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000087675081 395706729 /nfs/dbraw/zinc/70/67/29/395706729.db2.gz MDURBSPSDHSFEP-MNOVXSKESA-N -1 0 320.411 0.706 10 0 DCAERM NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000097064187 395754977 /nfs/dbraw/zinc/75/49/77/395754977.db2.gz OFEDIYFZQWKUMP-VHSXEESVSA-N -1 0 312.347 0.317 10 0 DCAERM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)Cn3cnnn3)cc2)n1 ZINC000195489146 395829110 /nfs/dbraw/zinc/82/91/10/395829110.db2.gz JNWUVPNAMBNAMM-UHFFFAOYSA-N -1 0 311.305 0.371 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1C(N)=O ZINC000133312117 395929235 /nfs/dbraw/zinc/92/92/35/395929235.db2.gz XCXOOCATUMFGOY-IUCAKERBSA-N -1 0 314.363 0.481 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccs2)c[nH]1 ZINC000125278586 395902329 /nfs/dbraw/zinc/90/23/29/395902329.db2.gz XVKDBKCNKUYVAJ-SECBINFHSA-N -1 0 301.349 0.884 10 0 DCAERM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000131889613 395925795 /nfs/dbraw/zinc/92/57/95/395925795.db2.gz AZEWPUOHPZGWRI-GARJFASQSA-N -1 0 308.400 0.573 10 0 DCAERM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000227866972 395869948 /nfs/dbraw/zinc/86/99/48/395869948.db2.gz GWMDZQGBGHCGDX-NSHDSACASA-N -1 0 321.786 0.949 10 0 DCAERM C[C@H](CCCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000229518312 395874960 /nfs/dbraw/zinc/87/49/60/395874960.db2.gz OGAYEOVASVJGDR-MXWKQRLJSA-N -1 0 308.400 0.431 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000133243792 395928892 /nfs/dbraw/zinc/92/88/92/395928892.db2.gz HRLDTOPJPPGSSD-RKDXNWHRSA-N -1 0 314.363 0.434 10 0 DCAERM O=C([O-])[C@@H]1[C@H]2C[C@H]3[C@@H]1C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H]3[C@@H]2O ZINC000256046267 396033488 /nfs/dbraw/zinc/03/34/88/396033488.db2.gz DVUUKJRIDQYMNQ-WWBIDZNWSA-N -1 0 318.285 0.638 10 0 DCAERM CC(C)(C)OCC[C@H](NC(=O)CN1CSCC1=O)C(=O)[O-] ZINC000262121690 396101030 /nfs/dbraw/zinc/10/10/30/396101030.db2.gz GJVXISCREAMXPF-VIFPVBQESA-N -1 0 318.395 0.294 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)CN1C(=O)COc2ccccc21 ZINC000262153423 396104847 /nfs/dbraw/zinc/10/48/47/396104847.db2.gz NZMPNXSECIHJEG-JTQLQIEISA-N -1 0 306.318 0.782 10 0 DCAERM O=C([O-])C[C@H]1COCCN1C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000263253225 396209600 /nfs/dbraw/zinc/20/96/00/396209600.db2.gz FENNLIGPKSRXPY-VIFPVBQESA-N -1 0 305.290 0.985 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262721803 396175575 /nfs/dbraw/zinc/17/55/75/396175575.db2.gz QDMPEVZMEVOOAD-KXUCPTDWSA-N -1 0 300.380 0.667 10 0 DCAERM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262818907 396184676 /nfs/dbraw/zinc/18/46/76/396184676.db2.gz PUXRNCVJPVBCAQ-SRVKXCTJSA-N -1 0 307.350 0.658 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000263517204 396219834 /nfs/dbraw/zinc/21/98/34/396219834.db2.gz PEFQLTZJHNFODD-JGVFFNPUSA-N -1 0 321.786 0.947 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2[C@H]3COC[C@H]32)cs1 ZINC000375588673 396776103 /nfs/dbraw/zinc/77/61/03/396776103.db2.gz VQSVTVQGUJYKDB-PSVAKVPMSA-N -1 0 303.361 0.617 10 0 DCAERM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408188235 397349090 /nfs/dbraw/zinc/34/90/90/397349090.db2.gz RYADGDSVTSDDMV-JKOKRWQUSA-N -1 0 324.402 0.901 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCC(=O)NC1 ZINC000408492788 397358200 /nfs/dbraw/zinc/35/82/00/397358200.db2.gz FIFLFIBPGDXDQM-DEKYYXRVSA-N -1 0 314.407 0.537 10 0 DCAERM CCCCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000402654819 397323113 /nfs/dbraw/zinc/32/31/13/397323113.db2.gz NRLXJNXCWBYDPZ-SNVBAGLBSA-N -1 0 304.372 0.112 10 0 DCAERM O=C(NCc1nnn[n-]1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000599344431 397415198 /nfs/dbraw/zinc/41/51/98/397415198.db2.gz LCVBKBNYCFCVFB-NSHDSACASA-N -1 0 316.321 0.247 10 0 DCAERM Cc1nc2cc[n-]n2c(=O)c1CCC(=O)N[C@@H](CO)C(C)C ZINC000606440361 397681298 /nfs/dbraw/zinc/68/12/98/397681298.db2.gz FQBWTHHKTKIOHL-LBPRGKRZSA-N -1 0 306.366 0.397 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc(-n3cncn3)c2)C1 ZINC000262075949 158770364 /nfs/dbraw/zinc/77/03/64/158770364.db2.gz ADSFADFOOPFXHH-CHWSQXEVSA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)COc2c(C)nn(C)c2C)C1 ZINC000262080573 158770641 /nfs/dbraw/zinc/77/06/41/158770641.db2.gz AXXCTGZIAGIBIT-WDEREUQCSA-N -1 0 311.338 0.116 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](C)OC[C@H]2CCCO2)C1 ZINC000262139305 158778058 /nfs/dbraw/zinc/77/80/58/158778058.db2.gz LQKHUMDPRDCWTG-IRCOFANPSA-N -1 0 301.339 0.271 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)C[C@@H](O)c2cccc(F)c2)nn1 ZINC000262814443 158842632 /nfs/dbraw/zinc/84/26/32/158842632.db2.gz OPIDZYXRXWKNQH-GFCCVEGCSA-N -1 0 322.296 0.242 10 0 DCAERM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000263020617 158853742 /nfs/dbraw/zinc/85/37/42/158853742.db2.gz MCDVJZGKCYDWQV-QWRGUYRKSA-N -1 0 315.329 0.718 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CCn1nc2ccccn2c1=O ZINC000263225955 158863692 /nfs/dbraw/zinc/86/36/92/158863692.db2.gz RNEWHWCVJOYJJB-GHMZBOCLSA-N -1 0 318.333 0.208 10 0 DCAERM C[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263319495 158872293 /nfs/dbraw/zinc/87/22/93/158872293.db2.gz ILKSILVMKXRZQH-SKDRFNHKSA-N -1 0 305.334 0.851 10 0 DCAERM CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408131115 160043388 /nfs/dbraw/zinc/04/33/88/160043388.db2.gz GIFUSAOWQWGSQW-ZJUUUORDSA-N -1 0 301.368 0.430 10 0 DCAERM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000408195542 160057405 /nfs/dbraw/zinc/05/74/05/160057405.db2.gz QSCCXCDAERWLEF-NXEZZACHSA-N -1 0 301.368 0.352 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)CCCO1 ZINC000408276960 160074228 /nfs/dbraw/zinc/07/42/28/160074228.db2.gz MXNOWCHUOGTLIK-ZDUSSCGKSA-N -1 0 313.331 0.789 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)nc1C ZINC000408393698 160099051 /nfs/dbraw/zinc/09/90/51/160099051.db2.gz KYKJTWKGYQKZEO-YUSALJHKSA-N -1 0 313.379 0.441 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000408475922 160116603 /nfs/dbraw/zinc/11/66/03/160116603.db2.gz IISUGGDJOIIIPD-WFASDCNBSA-N -1 0 323.370 0.572 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1occc1Br ZINC000408476776 160117232 /nfs/dbraw/zinc/11/72/32/160117232.db2.gz MOOHGFUNYXSNMM-UHFFFAOYSA-N -1 0 310.125 0.501 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1csc([C@H]2CCCO2)n1 ZINC000408481934 160117920 /nfs/dbraw/zinc/11/79/20/160117920.db2.gz ZBAFXRADGUEPCW-SECBINFHSA-N -1 0 318.376 0.453 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)[C@H]1CCCOCC1 ZINC000408488526 160118940 /nfs/dbraw/zinc/11/89/40/160118940.db2.gz YKAONRYVGIRFFJ-NWDGAFQWSA-N -1 0 305.396 0.818 10 0 DCAERM Cn1nccc1CC(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2 ZINC000408495250 160119564 /nfs/dbraw/zinc/11/95/64/160119564.db2.gz OFNSETROJPEABT-XIVSLSHWSA-N -1 0 311.407 0.987 10 0 DCAERM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000408496862 160119694 /nfs/dbraw/zinc/11/96/94/160119694.db2.gz HRHSPAWWIMGGJR-NWDGAFQWSA-N -1 0 316.423 0.737 10 0 DCAERM O=C(CS(=O)(=O)C1CC1)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000408500725 160120499 /nfs/dbraw/zinc/12/04/99/160120499.db2.gz QCMRGYJJLAELEE-YWVKMMECSA-N -1 0 321.420 0.198 10 0 DCAERM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000249925842 287118634 /nfs/dbraw/zinc/11/86/34/287118634.db2.gz CBJVFJDVQCAYKO-HBNTYKKESA-N -1 0 308.400 0.383 10 0 DCAERM CC[C@]1(C(=O)[O-])CCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000062925560 415346327 /nfs/dbraw/zinc/34/63/27/415346327.db2.gz NHZHIYPWTUJOBQ-LBPRGKRZSA-N -1 0 304.368 0.024 10 0 DCAERM O=C([O-])C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000336755267 415816474 /nfs/dbraw/zinc/81/64/74/415816474.db2.gz XQQVTQZUDHTVPB-UHFFFAOYSA-N -1 0 308.153 0.916 10 0 DCAERM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000337054970 415899950 /nfs/dbraw/zinc/89/99/50/415899950.db2.gz PALKXKDQYDXBOS-UHFFFAOYSA-N -1 0 309.294 0.662 10 0 DCAERM C[C@@H](CC(=O)NC1(c2nnn[n-]2)CC1)NC(=O)C1CCCCC1 ZINC000357077467 416030491 /nfs/dbraw/zinc/03/04/91/416030491.db2.gz WNLBYIQFRLFZJC-JTQLQIEISA-N -1 0 320.397 0.780 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN(C(=O)Cn2cnnn2)C1 ZINC000180344565 416195435 /nfs/dbraw/zinc/19/54/35/416195435.db2.gz MMLLJPQSGXTBPA-QWHCGFSZSA-N -1 0 315.333 0.390 10 0 DCAERM CC1CCC(NC(=O)CN(C)S(C)(=O)=O)(C(=O)[O-])CC1 ZINC000262244459 416336214 /nfs/dbraw/zinc/33/62/14/416336214.db2.gz XACIQELMAHDHJD-UHFFFAOYSA-N -1 0 306.384 0.028 10 0 DCAERM Cc1cc(C(=O)N=c2[n-]c(C)no2)nn1-c1nc(C)cc(C)n1 ZINC000534266135 416495895 /nfs/dbraw/zinc/49/58/95/416495895.db2.gz IJERVXFRDSOOPM-UHFFFAOYSA-N -1 0 313.321 0.953 10 0 DCAERM Cn1ncc(NS(=O)(=O)N2CCCCCC2)c1C(=O)[O-] ZINC000538090791 416563162 /nfs/dbraw/zinc/56/31/62/416563162.db2.gz FLGVAZCHHPEETN-UHFFFAOYSA-N -1 0 302.356 0.651 10 0 DCAERM CCc1ncsc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000441822889 416680596 /nfs/dbraw/zinc/68/05/96/416680596.db2.gz KVQIRWMWYGMUKN-UHFFFAOYSA-N -1 0 301.353 0.479 10 0 DCAERM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424367349 416638407 /nfs/dbraw/zinc/63/84/07/416638407.db2.gz LOJNOTQLIGLVCV-WCBMZHEXSA-N -1 0 301.368 0.602 10 0 DCAERM NS(=O)(=O)N1CCCOC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616598288 417083420 /nfs/dbraw/zinc/08/34/20/417083420.db2.gz WKTMXXWIGYYKOH-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM NS(=O)(=O)N1CCOCC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616661488 417089879 /nfs/dbraw/zinc/08/98/79/417089879.db2.gz SYTMONFXXSQLGS-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM COC[C@@H](C)S(=O)(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000399672611 417110303 /nfs/dbraw/zinc/11/03/03/417110303.db2.gz UYSBJHQJAMOYPV-ZCFIWIBFSA-N -1 0 308.381 0.604 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)CC[C@H]1C(=O)[O-] ZINC000526944294 417191366 /nfs/dbraw/zinc/19/13/66/417191366.db2.gz VRIDXFJSUCWQJH-WDEREUQCSA-N -1 0 320.411 0.385 10 0 DCAERM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000530152232 417545823 /nfs/dbraw/zinc/54/58/23/417545823.db2.gz IGQQSGBJCWSTBI-XZMZPDFPSA-N -1 0 303.340 0.198 10 0 DCAERM CC[C@@H]1COCCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166130327 545877813 /nfs/dbraw/zinc/87/78/13/545877813.db2.gz LQHAVFLINONRGG-LLVKDONJSA-N -1 0 300.355 0.688 10 0 DCAERM CCC[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000576611017 417624213 /nfs/dbraw/zinc/62/42/13/417624213.db2.gz SRIIGWQUSXJBGG-JTQLQIEISA-N -1 0 306.384 0.364 10 0 DCAERM CC(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000631639520 417910762 /nfs/dbraw/zinc/91/07/62/417910762.db2.gz PEUGCHHYXOGPSP-UHFFFAOYSA-N -1 0 302.327 0.384 10 0 DCAERM COc1ccc(CNC(=O)Cn2nc(SC)[n-]c2=O)cc1 ZINC000188163815 261126157 /nfs/dbraw/zinc/12/61/57/261126157.db2.gz MHJWDMVKINZNNI-UHFFFAOYSA-N -1 0 308.363 0.618 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000227864600 261153192 /nfs/dbraw/zinc/15/31/92/261153192.db2.gz TUENSDGCBXWQHD-SSDOTTSWSA-N -1 0 309.775 0.851 10 0 DCAERM Cc1noc(CCNC(=O)N2CCSC[C@@H]2C(=O)[O-])n1 ZINC000231909357 261153890 /nfs/dbraw/zinc/15/38/90/261153890.db2.gz RWRHECPYRRIDEL-MRVPVSSYSA-N -1 0 300.340 0.132 10 0 DCAERM CNS(=O)(=O)c1cccc(C(=O)N=c2nc(C)[n-]s2)c1 ZINC000362148513 262005213 /nfs/dbraw/zinc/00/52/13/262005213.db2.gz WJJQIXDAABOVGM-UHFFFAOYSA-N -1 0 312.376 0.429 10 0 DCAERM COCCCS(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1 ZINC000370607363 262146670 /nfs/dbraw/zinc/14/66/70/262146670.db2.gz VZIYRCJLHVMHFA-UHFFFAOYSA-N -1 0 309.384 0.166 10 0 DCAERM CN1CC[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1=O ZINC000555556724 288355208 /nfs/dbraw/zinc/35/52/08/288355208.db2.gz KRXBLIBMXQHEHP-NXEZZACHSA-N -1 0 307.354 0.085 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263312734 281932627 /nfs/dbraw/zinc/93/26/27/281932627.db2.gz IFVBJRNTVWYPET-GARJFASQSA-N -1 0 314.407 0.867 10 0 DCAERM CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)CC2 ZINC000263559617 288635782 /nfs/dbraw/zinc/63/57/82/288635782.db2.gz QNSZXLVOIIBUCD-KPXOXKRLSA-N -1 0 306.366 0.628 10 0 DCAERM COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1F ZINC000040396431 295196876 /nfs/dbraw/zinc/19/68/76/295196876.db2.gz LODOXKIKGCQXJU-XVKPBYJWSA-N -1 0 319.310 0.043 10 0 DCAERM Cn1cc(S(=O)(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cn1 ZINC000094744805 302920343 /nfs/dbraw/zinc/92/03/43/302920343.db2.gz NQKULJUDXKQUKS-MNOVXSKESA-N -1 0 301.368 0.732 10 0 DCAERM Cn1ncc2c1nc(N1C[C@@H]3CCC[C@@]3(C(=O)[O-])C1)nc2N ZINC000263561554 303060071 /nfs/dbraw/zinc/06/00/71/303060071.db2.gz RYVLWEZFBPSSBP-RMLUDKJBSA-N -1 0 302.338 0.637 10 0 DCAERM COC(=O)C[C@@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-] ZINC000379284082 336262648 /nfs/dbraw/zinc/26/26/48/336262648.db2.gz FUOGSXDYZXPWMH-ZCFIWIBFSA-N -1 0 321.273 0.265 10 0 DCAERM CC(C)(C)OC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000399608460 337868264 /nfs/dbraw/zinc/86/82/64/337868264.db2.gz PWLSPCQHEVNLFZ-AWEZNQCLSA-N -1 0 300.355 0.783 10 0 DCAERM CC(C)CC(=O)N[C@H](C(=O)N(C)C[C@@H](C)c1nnn[n-]1)C(C)C ZINC000156545746 519600085 /nfs/dbraw/zinc/60/00/85/519600085.db2.gz ONTHTEZMAYPEBC-YPMHNXCESA-N -1 0 324.429 0.949 10 0 DCAERM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cncc(F)c1 ZINC000262988650 522433622 /nfs/dbraw/zinc/43/36/22/522433622.db2.gz SECMVMAAWFWOSQ-JTQLQIEISA-N -1 0 323.324 0.616 10 0 DCAERM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000262867404 524293826 /nfs/dbraw/zinc/29/38/26/524293826.db2.gz FTSNFULLLXGGLX-WCQYABFASA-N -1 0 304.346 0.967 10 0 DCAERM COc1ccc(N2C[C@H](C(=O)N[C@@H](CF)C(=O)[O-])CC2=O)cc1 ZINC000262908385 524446717 /nfs/dbraw/zinc/44/67/17/524446717.db2.gz JHOKSDCQZGYQEU-SKDRFNHKSA-N -1 0 324.308 0.587 10 0 DCAERM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000183567201 528738878 /nfs/dbraw/zinc/73/88/78/528738878.db2.gz UTIZOCUNLWQNKK-GHMZBOCLSA-N -1 0 315.395 0.912 10 0 DCAERM C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000149331287 545810736 /nfs/dbraw/zinc/81/07/36/545810736.db2.gz QWBQRPVSXNXZHG-SKDRFNHKSA-N -1 0 315.347 0.606 10 0 DCAERM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000332948632 546066384 /nfs/dbraw/zinc/06/63/84/546066384.db2.gz CJGGZLZIQYUOHW-HTQZYQBOSA-N -1 0 313.383 0.074 10 0 DCAERM O=C(N[C@@H]1CCCn2ncnc21)c1n[n-]c2ccccc2c1=O ZINC000175711493 657459892 /nfs/dbraw/zinc/45/98/92/657459892.db2.gz SVMWSHDLXZHBTJ-LLVKDONJSA-N -1 0 310.317 0.780 10 0 DCAERM COC1CC(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000234715148 658043803 /nfs/dbraw/zinc/04/38/03/658043803.db2.gz HWPNZUAJXIVBFR-UHFFFAOYSA-N -1 0 303.311 0.980 10 0 DCAERM CCS(=O)(=O)CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262537792 658196834 /nfs/dbraw/zinc/19/68/34/658196834.db2.gz KJIFASDQGVSPDN-SSDOTTSWSA-N -1 0 320.392 0.762 10 0 DCAERM COCc1ccsc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000181446470 665585000 /nfs/dbraw/zinc/58/50/00/665585000.db2.gz IQONFOWRHVEXFS-UHFFFAOYSA-N -1 0 304.393 0.965 10 0 DCAERM O=C([O-])c1ccoc1S(=O)(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000723238454 658613690 /nfs/dbraw/zinc/61/36/90/658613690.db2.gz MVDPWPPAHFWLFB-IUCAKERBSA-N -1 0 301.320 0.635 10 0 DCAERM CCCN(CCC)S(=O)(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000252432162 665629984 /nfs/dbraw/zinc/62/99/84/665629984.db2.gz XGTROGILTISUAM-QWRGUYRKSA-N -1 0 308.400 0.527 10 0 DCAERM C[C@H]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)[C@@H]1C(=O)[O-] ZINC000261606363 661318263 /nfs/dbraw/zinc/31/82/63/661318263.db2.gz AJJDQTADWFSUHY-HZMBPMFUSA-N -1 0 320.345 0.876 10 0 DCAERM CCCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000262095114 662057029 /nfs/dbraw/zinc/05/70/29/662057029.db2.gz LRZPNNVKPODAEH-GMTAPVOTSA-N -1 0 303.380 0.523 10 0 DCAERM C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[C@@H](C)C(=O)[O-] ZINC000263436753 662688240 /nfs/dbraw/zinc/68/82/40/662688240.db2.gz LPZLHFRYXNIRIJ-RKDXNWHRSA-N -1 0 319.317 0.328 10 0 DCAERM Cc1ncc(S(=O)(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])s1 ZINC000721244149 662763138 /nfs/dbraw/zinc/76/31/38/662763138.db2.gz UDFUWDMPZCQDHJ-XKSSXDPKSA-N -1 0 302.377 0.793 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000062873733 664624749 /nfs/dbraw/zinc/62/47/49/664624749.db2.gz GKYBNFWHEZLAEQ-LBPRGKRZSA-N -1 0 301.368 0.686 10 0 DCAERM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000732278647 664911693 /nfs/dbraw/zinc/91/16/93/664911693.db2.gz DIEXMMCPWRQAEJ-UHFFFAOYSA-N -1 0 306.366 0.113 10 0 DCAERM CC(C)(C)n1cc(C(=O)C(=O)[N-]S(=O)(=O)CC2CC2)cn1 ZINC000733702709 666804705 /nfs/dbraw/zinc/80/47/05/666804705.db2.gz GNZHSPYDTFZKJJ-UHFFFAOYSA-N -1 0 313.379 0.677 10 0 DCAERM Cn1nccc1CCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000122728192 667676424 /nfs/dbraw/zinc/67/64/24/667676424.db2.gz PEVNGUGDHNYIIS-UHFFFAOYSA-N -1 0 311.338 0.997 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCOC[C@@H]2C)nc1C ZINC000192830407 670189735 /nfs/dbraw/zinc/18/97/35/670189735.db2.gz PIUPHKBULRBDIU-ONGXEEELSA-N -1 0 315.395 0.689 10 0 DCAERM O=C([O-])Cc1csc(CNS(=O)(=O)CC2CCC2)n1 ZINC000719033326 685307642 /nfs/dbraw/zinc/30/76/42/685307642.db2.gz BRDWJVAZFXIFHH-UHFFFAOYSA-N -1 0 304.393 0.990 10 0 DCAERM COCC[C@H](NC(=O)NC[C@]1(OC)CCSC1)C(=O)[O-] ZINC000719232566 685309552 /nfs/dbraw/zinc/30/95/52/685309552.db2.gz ZHOMUSALRAJCSK-JOYOIKCWSA-N -1 0 306.384 0.297 10 0 DCAERM COC(C)(C)[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000720056485 685311718 /nfs/dbraw/zinc/31/17/18/685311718.db2.gz LLIRXIROEXJMEE-SECBINFHSA-N -1 0 308.400 0.431 10 0 DCAERM COC(C)(C)[C@@H](C)NS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000720056999 685311859 /nfs/dbraw/zinc/31/18/59/685311859.db2.gz NDCFGPMFXVBMHA-ZJUUUORDSA-N -1 0 308.400 0.431 10 0 DCAERM COC(C)(C)[C@@H](C)NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000720056996 685311890 /nfs/dbraw/zinc/31/18/90/685311890.db2.gz NDCFGPMFXVBMHA-NXEZZACHSA-N -1 0 308.400 0.431 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1O ZINC000387873846 1158950491 /nfs/dbraw/zinc/95/04/91/1158950491.db2.gz KNUJPEOBTXXXNP-RDDDGLTNSA-N -1 0 302.308 0.302 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCOC[C@H]2CCCO2)C1 ZINC000262075904 1185160891 /nfs/dbraw/zinc/16/08/91/1185160891.db2.gz ACOANLAZVPDALC-UTUOFQBUSA-N -1 0 301.339 0.273 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](C)OC[C@H]2CCCCO2)C1 ZINC000262157226 1185162283 /nfs/dbraw/zinc/16/22/83/1185162283.db2.gz OOVNKVVWPVZFOC-UMSGYPCISA-N -1 0 315.366 0.661 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000262393594 1185167472 /nfs/dbraw/zinc/16/74/72/1185167472.db2.gz BPNUSYRSRNWUML-JHJVBQTASA-N -1 0 324.377 0.336 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)[C@@H]2CCc3ccccc32)nn1 ZINC000262811148 1185172803 /nfs/dbraw/zinc/17/28/03/1185172803.db2.gz OCIYOAYABQXVAN-CYBMUJFWSA-N -1 0 300.318 0.709 10 0 DCAERM CNC(=O)c1cccc(CCC(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000262845235 1185173517 /nfs/dbraw/zinc/17/35/17/1185173517.db2.gz DUJOTJIFLGRNCJ-LBPRGKRZSA-N -1 0 308.334 0.195 10 0 DCAERM CO[C@H](CNC(=O)[C@H](C)NC(=O)CC1CCCCC1)C(=O)[O-] ZINC000263061283 1185175650 /nfs/dbraw/zinc/17/56/50/1185175650.db2.gz HTERLEKPBXIHIH-CMPLNLGQSA-N -1 0 314.382 0.677 10 0 DCAERM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000263020619 1185175947 /nfs/dbraw/zinc/17/59/47/1185175947.db2.gz MCDVJZGKCYDWQV-WDEREUQCSA-N -1 0 315.329 0.718 10 0 DCAERM O=C([O-])[C@]1(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3)CCOC1 ZINC000403662056 774111573 /nfs/dbraw/zinc/11/15/73/774111573.db2.gz SELFIFNAQHWATM-GGLDHJKQSA-N -1 0 300.380 0.956 10 0 DCAERM COCC(COC)S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000688607490 954632757 /nfs/dbraw/zinc/63/27/57/954632757.db2.gz URYGDDOEWWBTKZ-VHSXEESVSA-N -1 0 309.384 0.020 10 0 DCAERM COCC(COC)S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000688607488 954633593 /nfs/dbraw/zinc/63/35/93/954633593.db2.gz URYGDDOEWWBTKZ-UWVGGRQHSA-N -1 0 309.384 0.020 10 0 DCAERM CSCC[C@@H](C)N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689233094 954647649 /nfs/dbraw/zinc/64/76/49/954647649.db2.gz HHIGVUCBHNXVGL-ZJUUUORDSA-N -1 0 310.441 0.854 10 0 DCAERM CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(C(=O)[O-])s1 ZINC000699962183 968977298 /nfs/dbraw/zinc/97/72/98/968977298.db2.gz XMVWZAHAOPGKQH-DTWKUNHWSA-N -1 0 305.377 0.348 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3COC[C@@H]32)o1 ZINC000690364942 976285769 /nfs/dbraw/zinc/28/57/69/976285769.db2.gz RDIYDYPGGQSDEZ-BDAKNGLRSA-N -1 0 301.320 0.777 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000694070837 976664987 /nfs/dbraw/zinc/66/49/87/976664987.db2.gz IBNZGPWPZZSICI-AXFHLTTASA-N -1 0 303.380 0.571 10 0 DCAERM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1ncn(C)n1 ZINC000694172083 976674849 /nfs/dbraw/zinc/67/48/49/976674849.db2.gz GZAWJCUGERMVKS-LURJTMIESA-N -1 0 300.296 0.146 10 0 DCAERM CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211273 976682557 /nfs/dbraw/zinc/68/25/57/976682557.db2.gz YXXMQBAKSRIKDF-SSDOTTSWSA-N -1 0 304.324 0.123 10 0 DCAERM CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc(C(=O)[O-])cs1 ZINC000697287336 976837763 /nfs/dbraw/zinc/83/77/63/976837763.db2.gz RGTZYSRFVMQZBJ-UWVGGRQHSA-N -1 0 305.377 0.348 10 0 DCAERM CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)NC ZINC000697823861 976863557 /nfs/dbraw/zinc/86/35/57/976863557.db2.gz JFWPGGBLORIAOL-ZCFIWIBFSA-N -1 0 306.365 0.249 10 0 DCAERM O=C([O-])c1ccc2c(c1)ncnc2N[C@@H]1CCS(=O)(=O)C1 ZINC000004226304 181086230 /nfs/dbraw/zinc/08/62/30/181086230.db2.gz QSJNWVVETAUNQY-SECBINFHSA-N -1 0 307.331 0.927 10 0 DCAERM CCCS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000263024358 283415383 /nfs/dbraw/zinc/41/53/83/283415383.db2.gz QLWNHDPNGSAZMS-JBLDHEPKSA-N -1 0 303.380 0.523 10 0 DCAERM O=C([O-])[C@@H]1CSCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000049477975 304137578 /nfs/dbraw/zinc/13/75/78/304137578.db2.gz ILHVQCNMHIXOOQ-JTQLQIEISA-N -1 0 320.326 0.269 10 0 DCAERM O=C([O-])CNC(=O)C[C@@H]1SC(=O)N(c2cccc(O)c2)C1=O ZINC000016905758 182064409 /nfs/dbraw/zinc/06/44/09/182064409.db2.gz WOSACSVSNUJNOX-VIFPVBQESA-N -1 0 324.314 0.552 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000020566015 182233423 /nfs/dbraw/zinc/23/34/23/182233423.db2.gz XBIWFFOLUXAXEQ-CMPLNLGQSA-N -1 0 313.331 0.098 10 0 DCAERM CSCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-] ZINC000020564775 182233549 /nfs/dbraw/zinc/23/35/49/182233549.db2.gz OUEYAISCWWQBLY-NSHDSACASA-N -1 0 310.375 0.739 10 0 DCAERM O=C([O-])[C@@H](CNS(=O)(=O)CCC1CC1)C1CCOCC1 ZINC000572835257 291592257 /nfs/dbraw/zinc/59/22/57/291592257.db2.gz TUNXAEHHWZATFV-LBPRGKRZSA-N -1 0 305.396 0.833 10 0 DCAERM O=C([O-])[C@H]1[NH2+]CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1C(=O)[O-] ZINC000006092695 304209093 /nfs/dbraw/zinc/20/90/93/304209093.db2.gz YWCVPDCUINPDGB-UWVGGRQHSA-N -1 0 312.709 0.292 10 0 DCAERM O=C([O-])[C@]1(NC(=O)[C@@H]2CCCCS2(=O)=O)CCSC1 ZINC000167902982 304213792 /nfs/dbraw/zinc/21/37/92/304213792.db2.gz DTPFAEKPZVQZNI-KWQFWETISA-N -1 0 307.393 0.030 10 0 DCAERM O=C([O-])c1ccccc1S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000037981870 304271579 /nfs/dbraw/zinc/27/15/79/304271579.db2.gz WWLCFPFXZLMLMW-MRVPVSSYSA-N -1 0 304.345 0.346 10 0 DCAERM COc1ccc(OCCCS(=O)(=O)c2nnc(N)[n-]2)cc1 ZINC000008015972 395683914 /nfs/dbraw/zinc/68/39/14/395683914.db2.gz JZYKLKFDUABFNM-UHFFFAOYSA-N -1 0 312.351 0.638 10 0 DCAERM C[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C(=O)[O-] ZINC000033450938 395717200 /nfs/dbraw/zinc/71/72/00/395717200.db2.gz QJDGZKUTTHLLPR-WCQYABFASA-N -1 0 304.346 0.667 10 0 DCAERM O=C(NCCCN1C(=O)CCC1=O)c1c([O-])cc(F)cc1F ZINC000109688725 395798669 /nfs/dbraw/zinc/79/86/69/395798669.db2.gz QCIUSAXFBWPKAI-UHFFFAOYSA-N -1 0 312.272 0.939 10 0 DCAERM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000224409469 395857980 /nfs/dbraw/zinc/85/79/80/395857980.db2.gz KHOVRQDQWQTMTJ-JXUBOQSCSA-N -1 0 324.424 0.188 10 0 DCAERM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000070303052 396101027 /nfs/dbraw/zinc/10/10/27/396101027.db2.gz OVYUSHDWZFQLPQ-UHFFFAOYSA-N -1 0 309.347 0.936 10 0 DCAERM CN(C[C@H](O)COCc1ccccc1)C(=O)C1(C(=O)[O-])CC1 ZINC000262180735 396107539 /nfs/dbraw/zinc/10/75/39/396107539.db2.gz FMZJMMZJNHGEFQ-ZDUSSCGKSA-N -1 0 307.346 0.887 10 0 DCAERM CC[C@@H](C)[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000262397506 396135783 /nfs/dbraw/zinc/13/57/83/396135783.db2.gz AAUKSPOTSHMMLV-MWLCHTKSSA-N -1 0 306.384 0.028 10 0 DCAERM O=C([O-])CC1(NC(=O)CNC(=O)NCc2ccco2)CCCC1 ZINC000262767198 396180236 /nfs/dbraw/zinc/18/02/36/396180236.db2.gz ABSQZSKZMKBTQE-UHFFFAOYSA-N -1 0 323.349 0.983 10 0 DCAERM Cc1ccn2ncc(C(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)c2n1 ZINC000262776010 396180797 /nfs/dbraw/zinc/18/07/97/396180797.db2.gz LUEDWRPRNIYXJF-PWSUYJOCSA-N -1 0 318.333 0.647 10 0 DCAERM O=C([O-])CCNC(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000263338939 396214406 /nfs/dbraw/zinc/21/44/06/396214406.db2.gz DYDJGGJVTBQVDS-WFASDCNBSA-N -1 0 310.325 0.971 10 0 DCAERM Cc1ccc(CS(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1C ZINC000263477529 396218075 /nfs/dbraw/zinc/21/80/75/396218075.db2.gz JUGLQVLBVIPEPM-ZDUSSCGKSA-N -1 0 301.364 0.558 10 0 DCAERM O=C(CN1CCO[C@@]2(CCOC2)C1)[N-]OCc1ccccc1 ZINC000185132927 396318658 /nfs/dbraw/zinc/31/86/58/396318658.db2.gz XCSUJKPSMCSFCV-INIZCTEOSA-N -1 0 306.362 0.726 10 0 DCAERM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CC(=O)N(C2CC2)C1 ZINC000184629923 396300351 /nfs/dbraw/zinc/30/03/51/396300351.db2.gz JABABWBBHYLWMS-BQBZGAKWSA-N -1 0 300.302 0.620 10 0 DCAERM COC(=O)[C@@]1(C)CCCN1C(=O)CCc1c(C)nc(C)[nH]c1=O ZINC000187657147 396372312 /nfs/dbraw/zinc/37/23/12/396372312.db2.gz PANFDRBXKGJJHL-MRXNPFEDSA-N -1 0 321.377 0.873 10 0 DCAERM Cn1cnnc1[C@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000192027296 396428452 /nfs/dbraw/zinc/42/84/52/396428452.db2.gz ZYPMJTJJLCOYTR-SSDOTTSWSA-N -1 0 313.305 0.349 10 0 DCAERM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCn1cc(Br)cn1 ZINC000311171738 396760055 /nfs/dbraw/zinc/76/00/55/396760055.db2.gz TWWXEJHNKCGGHW-BDAKNGLRSA-N -1 0 316.155 0.873 10 0 DCAERM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCn1cc(Br)cn1 ZINC000311171741 396760412 /nfs/dbraw/zinc/76/04/12/396760412.db2.gz TWWXEJHNKCGGHW-RKDXNWHRSA-N -1 0 316.155 0.873 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCC23CC3)C1 ZINC000634653756 396893314 /nfs/dbraw/zinc/89/33/14/396893314.db2.gz INYDVEOVSHNQHU-MNOVXSKESA-N -1 0 302.396 0.950 10 0 DCAERM Cn1ncc(Cl)c1C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630339709 396987450 /nfs/dbraw/zinc/98/74/50/396987450.db2.gz MCVZRIJLJGIMBQ-LBPRGKRZSA-N -1 0 301.730 0.685 10 0 DCAERM C[C@@H]1CN(C(=O)c2c([O-])cccc2F)CCN1S(C)(=O)=O ZINC000618677723 397011655 /nfs/dbraw/zinc/01/16/55/397011655.db2.gz WFQXIXSRSJNKNJ-SECBINFHSA-N -1 0 316.354 0.637 10 0 DCAERM CN(C(=O)N1CC(C)(C)[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000630427290 397018288 /nfs/dbraw/zinc/01/82/88/397018288.db2.gz FEOAQISIOUEJJB-BDAKNGLRSA-N -1 0 304.368 0.020 10 0 DCAERM CN(C(=O)N1CC(C)(C)[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000630427292 397018650 /nfs/dbraw/zinc/01/86/50/397018650.db2.gz FEOAQISIOUEJJB-DTWKUNHWSA-N -1 0 304.368 0.020 10 0 DCAERM O=C([O-])[C@@]1(CNS(=O)(=O)N2CCCCC2)CCCOC1 ZINC000630431398 397019372 /nfs/dbraw/zinc/01/93/72/397019372.db2.gz DVGBXEWCJREFKE-GFCCVEGCSA-N -1 0 306.384 0.188 10 0 DCAERM Cc1cncc(C=CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000378199893 397210689 /nfs/dbraw/zinc/21/06/89/397210689.db2.gz JRDUJLLAGVNKSN-QAVQXKDTSA-N -1 0 300.322 0.516 10 0 DCAERM C[C@H]1OCCN(S(=O)(=O)N2CCCCCC2)[C@@H]1C(=O)[O-] ZINC000380921347 397270410 /nfs/dbraw/zinc/27/04/10/397270410.db2.gz LRGXPJGYSPUTHM-MNOVXSKESA-N -1 0 306.384 0.281 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@H]1C ZINC000384364725 397280479 /nfs/dbraw/zinc/28/04/79/397280479.db2.gz GJBFRHOCJOACHE-ZJUUUORDSA-N -1 0 307.368 0.455 10 0 DCAERM Cn1cc(Br)c(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC000393252976 397306487 /nfs/dbraw/zinc/30/64/87/397306487.db2.gz CLFPGCMINSTFLQ-WDSKDSINSA-N -1 0 302.128 0.520 10 0 DCAERM COC[C@@H](C)S(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000399637488 397314195 /nfs/dbraw/zinc/31/41/95/397314195.db2.gz FUBAWYOWIIAJIV-RQJHMYQMSA-N -1 0 308.381 0.857 10 0 DCAERM CCCc1nc(=NC(=O)N2CCN3C(=O)NC[C@H]3C2)s[n-]1 ZINC000579938446 397598499 /nfs/dbraw/zinc/59/84/99/397598499.db2.gz UTSUDPMLCKOGOE-QMMMGPOBSA-N -1 0 310.383 0.154 10 0 DCAERM COC(=O)Cn1cnc(-c2nc3cccc(F)c3c(=O)[n-]2)n1 ZINC000609224219 397764405 /nfs/dbraw/zinc/76/44/05/397764405.db2.gz XWBJPXCIUFEUMR-UHFFFAOYSA-N -1 0 303.253 0.906 10 0 DCAERM CCc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])s1 ZINC000048440878 158006946 /nfs/dbraw/zinc/00/69/46/158006946.db2.gz OYIDVGTTXADRIO-IONNQARKSA-N -1 0 305.377 0.519 10 0 DCAERM Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2=O)sc1C(=O)[O-] ZINC000050397477 158011563 /nfs/dbraw/zinc/01/15/63/158011563.db2.gz NQZUNDMRELBSPU-SSDOTTSWSA-N -1 0 318.376 0.312 10 0 DCAERM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000062925431 158030185 /nfs/dbraw/zinc/03/01/85/158030185.db2.gz OOQIQBKQYFPQKU-LOWVWBTDSA-N -1 0 320.411 0.527 10 0 DCAERM C[C@@H](NC(=O)c1ccco1)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000262299453 158794662 /nfs/dbraw/zinc/79/46/62/158794662.db2.gz OIRCTUJXBJTBQA-NXEZZACHSA-N -1 0 310.306 0.100 10 0 DCAERM COc1ccc(C(=O)CCC(=O)NC[C@H](OC)C(=O)[O-])cc1 ZINC000263085539 158855304 /nfs/dbraw/zinc/85/53/04/158855304.db2.gz MAPNVLJUJLZSKO-ZDUSSCGKSA-N -1 0 309.318 0.874 10 0 DCAERM C/C=C/C[C@@H](NC(=O)CNC(=O)c1cccc(OC)c1)C(=O)[O-] ZINC000263291339 158870143 /nfs/dbraw/zinc/87/01/43/158870143.db2.gz RCHXQAPBPXEGCD-ITDFMYJTSA-N -1 0 320.345 0.961 10 0 DCAERM CC(C)(C)c1n[nH]cc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408129754 160043747 /nfs/dbraw/zinc/04/37/47/160043747.db2.gz BLWPXECSAYUOSV-VIFPVBQESA-N -1 0 315.395 0.946 10 0 DCAERM C[C@@H]1CCCN(C(=O)C(=O)NC2(c3nnn[n-]3)CCCC2)C1 ZINC000408440114 160108392 /nfs/dbraw/zinc/10/83/92/160108392.db2.gz YHFCYPXEWZWIKW-SNVBAGLBSA-N -1 0 306.370 0.344 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000408451334 160110692 /nfs/dbraw/zinc/11/06/92/160110692.db2.gz LTZYJKYGGVAXKV-VIFPVBQESA-N -1 0 304.393 0.274 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)CC2CCCCC2)CCC(=O)NC1 ZINC000408478858 160117018 /nfs/dbraw/zinc/11/70/18/160117018.db2.gz KYFHDSIYGKMMMW-AWEZNQCLSA-N -1 0 316.423 0.929 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408483958 160118154 /nfs/dbraw/zinc/11/81/54/160118154.db2.gz NCINHQPCHBOLMN-NSHDSACASA-N -1 0 314.411 0.408 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)c(C)o1 ZINC000408484380 160118264 /nfs/dbraw/zinc/11/82/64/160118264.db2.gz ZWDXOUVYHVVMHF-CYBMUJFWSA-N -1 0 314.363 0.618 10 0 DCAERM CC(C)[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408488573 160119158 /nfs/dbraw/zinc/11/91/58/160119158.db2.gz ZBXZRNOLCZHUNZ-MNOVXSKESA-N -1 0 301.368 0.286 10 0 DCAERM CC(C)[C@H]1CCO[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000408495539 160119680 /nfs/dbraw/zinc/11/96/80/160119680.db2.gz GFWZRXKYNHKSME-MWLCHTKSSA-N -1 0 301.368 0.286 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)sc1C ZINC000408497468 160119784 /nfs/dbraw/zinc/11/97/84/160119784.db2.gz LSJNMXFICIPQND-AEJSXWLSSA-N -1 0 316.404 0.990 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C[C@@H]1F ZINC000408501753 160120357 /nfs/dbraw/zinc/12/03/57/160120357.db2.gz RDJQAECATICQDG-KWQFWETISA-N -1 0 303.315 0.219 10 0 DCAERM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000408505464 160120574 /nfs/dbraw/zinc/12/05/74/160120574.db2.gz ZILUHSDADRRTIV-KZZRWZIVSA-N -1 0 314.407 0.536 10 0 DCAERM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251655417 287119494 /nfs/dbraw/zinc/11/94/94/287119494.db2.gz KHOVRQDQWQTMTJ-IMSYWVGJSA-N -1 0 324.424 0.188 10 0 DCAERM O=c1ccnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000003642925 415130802 /nfs/dbraw/zinc/13/08/02/415130802.db2.gz AULQVXZKKOEICL-UHFFFAOYSA-N -1 0 314.345 0.821 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)NCC[C@H]2CCCO2)CC1 ZINC000038095974 415195455 /nfs/dbraw/zinc/19/54/55/415195455.db2.gz LWFCIUYHRJODLN-LLVKDONJSA-N -1 0 306.384 0.187 10 0 DCAERM Cc1cccc(C(=O)N[C@@H](C)C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357061251 416027455 /nfs/dbraw/zinc/02/74/55/416027455.db2.gz UYQHYMOIASIXHY-JTQLQIEISA-N -1 0 314.349 0.432 10 0 DCAERM Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccc3n[nH]nc3c2)cn1 ZINC000190043055 416274587 /nfs/dbraw/zinc/27/45/87/416274587.db2.gz WVSPAAOUKBHOQT-GXTWGEPZSA-N -1 0 312.333 0.951 10 0 DCAERM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000359372382 416343850 /nfs/dbraw/zinc/34/38/50/416343850.db2.gz RYFXRARKVZSFMS-NKWVEPMBSA-N -1 0 300.340 0.152 10 0 DCAERM Cc1ccn2c(c1)ncc(C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c2=O ZINC000194465927 416323818 /nfs/dbraw/zinc/32/38/18/416323818.db2.gz CONXTWSTWKVJAA-WDEREUQCSA-N -1 0 315.329 0.986 10 0 DCAERM NS(=O)(=O)N1CCOCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616660793 417090400 /nfs/dbraw/zinc/09/04/00/417090400.db2.gz XIEFJBJBLCVNLT-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM NS(=O)(=O)N1CCOCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616659819 417091276 /nfs/dbraw/zinc/09/12/76/417091276.db2.gz QABQDTOIWLCEJD-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408475941 417164482 /nfs/dbraw/zinc/16/44/82/417164482.db2.gz IMFAOZCJVJKZQP-IUCAKERBSA-N -1 0 317.367 0.575 10 0 DCAERM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000530153265 417545127 /nfs/dbraw/zinc/54/51/27/417545127.db2.gz NLIBCMKMBBFEMM-FBSDJGSXSA-N -1 0 302.352 0.803 10 0 DCAERM C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCCO1 ZINC000166154291 545877879 /nfs/dbraw/zinc/87/78/79/545877879.db2.gz APMMDAKXBMCTQR-NSHDSACASA-N -1 0 300.355 0.688 10 0 DCAERM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000575082948 417509007 /nfs/dbraw/zinc/50/90/07/417509007.db2.gz JYBMQZNJTTYUSU-VHSXEESVSA-N -1 0 321.395 0.558 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)no1 ZINC000577111167 417663176 /nfs/dbraw/zinc/66/31/76/417663176.db2.gz NHBPRYNRRIHIMI-KCJUWKMLSA-N -1 0 302.352 0.855 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1cncc(Br)c1 ZINC000392214509 262160871 /nfs/dbraw/zinc/16/08/71/262160871.db2.gz FNKWEGZYPLXQGA-UHFFFAOYSA-N -1 0 313.111 0.493 10 0 DCAERM CCOC(=O)c1cnc(C)c(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357055983 271039848 /nfs/dbraw/zinc/03/98/48/271039848.db2.gz WRLYPLDGTJXCHN-UHFFFAOYSA-N -1 0 316.321 0.499 10 0 DCAERM Cc1nnc(-c2ccc(C(=O)NC3(c4nnn[n-]4)CC3)cc2)o1 ZINC000357056357 271040155 /nfs/dbraw/zinc/04/01/55/271040155.db2.gz OPTWSNAKAJJMFC-UHFFFAOYSA-N -1 0 311.305 0.977 10 0 DCAERM O=C(CS(=O)(=O)c1ncc[n-]1)Nc1ccc2c(c1)OCO2 ZINC000361274864 271177094 /nfs/dbraw/zinc/17/70/94/271177094.db2.gz DEGXLFGGFPNPIR-UHFFFAOYSA-N -1 0 309.303 0.551 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N(CC(=O)[O-])Cc1ccccn1 ZINC000547589632 288060664 /nfs/dbraw/zinc/06/06/64/288060664.db2.gz AADHONKVACXZLC-LLVKDONJSA-N -1 0 313.379 0.697 10 0 DCAERM COc1cc(C)ccc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000547743916 288075140 /nfs/dbraw/zinc/07/51/40/288075140.db2.gz AVKPQDIMAWRYKN-UHFFFAOYSA-N -1 0 310.335 0.778 10 0 DCAERM CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N1CCC[C@H]1C ZINC000548230394 288123114 /nfs/dbraw/zinc/12/31/14/288123114.db2.gz VUFHXDGSLABPNB-NWDGAFQWSA-N -1 0 322.427 0.775 10 0 DCAERM O=C(COc1cccnc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000549768023 288204333 /nfs/dbraw/zinc/20/43/33/288204333.db2.gz BIBZBWZTQPROMY-SNVBAGLBSA-N -1 0 303.322 0.690 10 0 DCAERM Cc1nc2ncnn2c(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1C ZINC000550737724 288218944 /nfs/dbraw/zinc/21/89/44/288218944.db2.gz QRMDCKOKKHGIEU-JTQLQIEISA-N -1 0 314.353 0.949 10 0 DCAERM O=C(Nc1ccccc1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000555555132 288354881 /nfs/dbraw/zinc/35/48/81/288354881.db2.gz CPXQQOJHGLGCAH-SNVBAGLBSA-N -1 0 315.333 0.855 10 0 DCAERM CN1CC[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1=O ZINC000555556727 288355103 /nfs/dbraw/zinc/35/51/03/288355103.db2.gz KRXBLIBMXQHEHP-VHSXEESVSA-N -1 0 307.354 0.085 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000262413705 293862760 /nfs/dbraw/zinc/86/27/60/293862760.db2.gz DIGHPBTYUGVANX-UHTWSYAYSA-N -1 0 324.377 0.478 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000062843068 297044841 /nfs/dbraw/zinc/04/48/41/297044841.db2.gz BIUYSEGBSFODOE-PHIMTYICSA-N -1 0 320.411 0.527 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)COc2cccc(C(C)=O)c2)C1 ZINC000262169558 294594506 /nfs/dbraw/zinc/59/45/06/294594506.db2.gz QILZEYXKVVUOHF-KBPBESRZSA-N -1 0 321.329 0.969 10 0 DCAERM C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CF)C(=O)[O-])C1=O ZINC000262980890 297655126 /nfs/dbraw/zinc/65/51/26/297655126.db2.gz PHHUGHJSYYUNJI-UWVGGRQHSA-N -1 0 324.308 0.730 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000263344779 297738659 /nfs/dbraw/zinc/73/86/59/297738659.db2.gz OIKFBKNQQNFSMG-RKDXNWHRSA-N -1 0 311.338 0.029 10 0 DCAERM O=C([O-])[C@H](CC1CC1)NC(=O)NCC1CCS(=O)(=O)CC1 ZINC000583478327 333366831 /nfs/dbraw/zinc/36/68/31/333366831.db2.gz ZWADCCZILGNQAO-NSHDSACASA-N -1 0 318.395 0.364 10 0 DCAERM C[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)S(N)(=O)=O ZINC000398453378 337311414 /nfs/dbraw/zinc/31/14/14/337311414.db2.gz GBVAZMRMLPOXMR-SCSAIBSYSA-N -1 0 312.269 0.216 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(Cl)c1 ZINC000036968639 337361454 /nfs/dbraw/zinc/36/14/54/337361454.db2.gz IXAXFEGYNSONBO-MRVPVSSYSA-N -1 0 320.754 0.255 10 0 DCAERM Cc1cccc(S([O-])=CC(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000157096927 524908984 /nfs/dbraw/zinc/90/89/84/524908984.db2.gz LMUDFEPPPQBILC-XUSGNXJCSA-N -1 0 308.403 0.827 10 0 DCAERM Cc1nc(S(=O)(=O)N2CCC[C@H]2CCC(=O)[O-])cn1C ZINC000380770889 546215443 /nfs/dbraw/zinc/21/54/43/546215443.db2.gz QHILKHAJPHQFQS-JTQLQIEISA-N -1 0 301.368 0.746 10 0 DCAERM CC(C)C[C@@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000094706400 545728151 /nfs/dbraw/zinc/72/81/51/545728151.db2.gz BKJBTFTWDZJUOZ-JTQLQIEISA-N -1 0 322.427 0.856 10 0 DCAERM C[C@H](O)[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000159542423 545861229 /nfs/dbraw/zinc/86/12/29/545861229.db2.gz XDTWDZHXSPETSH-ZANVPECISA-N -1 0 309.343 0.952 10 0 DCAERM Cn1nccc1S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000284998816 546002327 /nfs/dbraw/zinc/00/23/27/546002327.db2.gz GTHDRMMTGIISLY-ZETCQYMHSA-N -1 0 309.294 0.151 10 0 DCAERM CC(C)(C)OC(=O)NCC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000685939182 548745995 /nfs/dbraw/zinc/74/59/95/548745995.db2.gz WNAXPFKDPPHOBM-UHFFFAOYSA-N -1 0 307.368 0.791 10 0 DCAERM CC[C@@H]1C[C@H](C(=O)[O-])[C@@H](C(=O)N=S2(=O)CCNCC2)C1 ZINC000712148256 548748721 /nfs/dbraw/zinc/74/87/21/548748721.db2.gz OGMVZSSPPZJCSX-DCAQKATOSA-N -1 0 302.396 0.721 10 0 DCAERM Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000190405777 658459698 /nfs/dbraw/zinc/45/96/98/658459698.db2.gz VZOWQOIGHKDZED-UHFFFAOYSA-N -1 0 308.294 0.550 10 0 DCAERM CCS(=O)(=O)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262186391 658700058 /nfs/dbraw/zinc/70/00/58/658700058.db2.gz MXJUJWXBDBBSIH-GFCCVEGCSA-N -1 0 311.359 0.632 10 0 DCAERM CCCCS(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O ZINC000180730738 659065079 /nfs/dbraw/zinc/06/50/79/659065079.db2.gz AUQUQBPATYSCKE-UHFFFAOYSA-N -1 0 323.374 0.863 10 0 DCAERM O=C([O-])COCCNS(=O)(=O)c1cccc2ncccc21 ZINC000163226419 662427155 /nfs/dbraw/zinc/42/71/55/662427155.db2.gz KAPRFOPAVGMIFK-UHFFFAOYSA-N -1 0 310.331 0.614 10 0 DCAERM O=C([O-])[C@H](NC(=O)c1ccc2nccn2c1)[C@@H]1CCCOC1 ZINC000262832733 662588730 /nfs/dbraw/zinc/58/87/30/662588730.db2.gz REWZRUCRPHBBOH-DGCLKSJQSA-N -1 0 303.318 0.944 10 0 DCAERM O=C([O-])[C@@H]1[C@@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@@H]21 ZINC000721255743 663077420 /nfs/dbraw/zinc/07/74/20/663077420.db2.gz OXIGUMYDZRNMFY-GRYCIOLGSA-N -1 0 302.396 0.760 10 0 DCAERM CNC(=O)c1cc(S(=O)(=O)[N-]c2cnc(C)s2)cn1C ZINC000443468061 664793259 /nfs/dbraw/zinc/79/32/59/664793259.db2.gz VELSLNDLZPHIQT-UHFFFAOYSA-N -1 0 314.392 0.950 10 0 DCAERM CC(C)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000186981345 666663814 /nfs/dbraw/zinc/66/38/14/666663814.db2.gz MZYRHZFVNGWLAH-NXEZZACHSA-N -1 0 313.379 0.221 10 0 DCAERM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000119705148 667191752 /nfs/dbraw/zinc/19/17/52/667191752.db2.gz AETCIDTUIOEIAL-UHFFFAOYSA-N -1 0 321.358 0.551 10 0 DCAERM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCS1(=O)=O ZINC000707413190 667438729 /nfs/dbraw/zinc/43/87/29/667438729.db2.gz FBHGVKDOABOUMV-VIFPVBQESA-N -1 0 321.420 0.230 10 0 DCAERM C[C@H]1CN(CC(=O)[N-]OCc2ccccc2)CCN1CCO ZINC000187678573 669948035 /nfs/dbraw/zinc/94/80/35/669948035.db2.gz HHUAZZJTOUSYCD-AWEZNQCLSA-N -1 0 307.394 0.233 10 0 DCAERM COC[C@H](C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000103636884 670051080 /nfs/dbraw/zinc/05/10/80/670051080.db2.gz DDVLAUAPHJODCK-NSHDSACASA-N -1 0 300.380 0.762 10 0 DCAERM COc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)ccn2C)cn1 ZINC000191536427 670056327 /nfs/dbraw/zinc/05/63/27/670056327.db2.gz DMZSBCVNPREEMQ-UHFFFAOYSA-N -1 0 309.347 0.856 10 0 DCAERM C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000193029763 670224080 /nfs/dbraw/zinc/22/40/80/670224080.db2.gz LZCFMJCLPVJTEA-DTWKUNHWSA-N -1 0 302.327 0.698 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CNC(=O)C1 ZINC000195284399 670479137 /nfs/dbraw/zinc/47/91/37/670479137.db2.gz IINVFQTYPWIVFZ-SSDOTTSWSA-N -1 0 302.739 0.281 10 0 DCAERM COCCS(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CC1 ZINC000111994027 670532371 /nfs/dbraw/zinc/53/23/71/670532371.db2.gz UEHIMLLVEVQYFN-UHFFFAOYSA-N -1 0 301.339 0.950 10 0 DCAERM C[C@H](CNC(=O)c1n[n-]c2ccccc2c1=O)N1CCOCC1 ZINC000109946093 670981345 /nfs/dbraw/zinc/98/13/45/670981345.db2.gz OPGKGZLOAQZDNF-LLVKDONJSA-N -1 0 316.361 0.374 10 0 DCAERM CC(C)(CCS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CC1 ZINC000717982493 685303852 /nfs/dbraw/zinc/30/38/52/685303852.db2.gz JMFGZNPBAWAWEL-LLVKDONJSA-N -1 0 305.396 0.928 10 0 DCAERM O=C([O-])[C@H](Cc1cncs1)NS(=O)(=O)N1CCCC1 ZINC000719070998 685308326 /nfs/dbraw/zinc/30/83/26/685308326.db2.gz ZBMLEZCKBHPGNV-VIFPVBQESA-N -1 0 305.381 0.069 10 0 DCAERM CO[C@@]1(CNC(=O)N2CCOC[C@H]2C(=O)[O-])CCSC1 ZINC000719217056 685308862 /nfs/dbraw/zinc/30/88/62/685308862.db2.gz FNPBHSSXSLJZIC-JOYOIKCWSA-N -1 0 304.368 0.004 10 0 DCAERM O=S(=O)(N[C@@H]1CCCN2CCSC[C@H]12)c1ncc[n-]1 ZINC000720477397 685313916 /nfs/dbraw/zinc/31/39/16/685313916.db2.gz TYYVGHJOGBGODK-NXEZZACHSA-N -1 0 302.425 0.268 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000180106150 685151322 /nfs/dbraw/zinc/15/13/22/685151322.db2.gz XBLKSBCTGIOPNN-OLZOCXBDSA-N -1 0 322.386 0.897 10 0 DCAERM CCc1ccc(OCC(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000261632164 1184557143 /nfs/dbraw/zinc/55/71/43/1184557143.db2.gz DEODYGPFDQZKRP-UHFFFAOYSA-N -1 0 318.333 0.620 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC000262407180 1185167488 /nfs/dbraw/zinc/16/74/88/1185167488.db2.gz CUSLARCJVPSFKW-VHSXEESVSA-N -1 0 319.321 0.055 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000262464329 1185168734 /nfs/dbraw/zinc/16/87/34/1185168734.db2.gz ITHPXCCCSSCKHT-KBPBESRZSA-N -1 0 320.345 0.637 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)C2(c3ccccc3F)CC2)nn1 ZINC000262766170 1185172631 /nfs/dbraw/zinc/17/26/31/1185172631.db2.gz GKFGQLCPNCQOTF-UHFFFAOYSA-N -1 0 318.308 0.850 10 0 DCAERM CCS(=O)(=O)N1CCN(c2cnc(C(=O)[O-])cn2)[C@H](C)C1 ZINC000263424978 1185177995 /nfs/dbraw/zinc/17/79/95/1185177995.db2.gz QTISESKAFAZMJG-SECBINFHSA-N -1 0 314.367 0.035 10 0 DCAERM CC(C)N(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000218679094 766230482 /nfs/dbraw/zinc/23/04/82/766230482.db2.gz RUIWKOPCFCGCCS-LBPRGKRZSA-N -1 0 314.363 0.924 10 0 DCAERM C[C@H](CS(C)(=O)=O)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC000688591949 954630788 /nfs/dbraw/zinc/63/07/88/954630788.db2.gz YVRSXVNROUQKAN-MRVPVSSYSA-N -1 0 305.396 0.673 10 0 DCAERM Cc1ccc(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC000689222309 954647104 /nfs/dbraw/zinc/64/71/04/954647104.db2.gz GGGYXSHPUGFFOL-NSHDSACASA-N -1 0 302.352 0.514 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCC(F)(F)CC1 ZINC000689191161 968889595 /nfs/dbraw/zinc/88/95/95/968889595.db2.gz QKQQIQRHKHOMDO-VIFPVBQESA-N -1 0 312.338 0.948 10 0 DCAERM O=C([O-])CN1CC[C@@H](N2CCC=C(Br)C2)C1=O ZINC000694768612 968949244 /nfs/dbraw/zinc/94/92/44/968949244.db2.gz RUBRPEPGSSZWJV-SECBINFHSA-N -1 0 303.156 0.656 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2COC3(CCC3)C2)c[nH]1 ZINC000688298261 976174635 /nfs/dbraw/zinc/17/46/35/976174635.db2.gz FVMPYJWOLBJCCC-QMMMGPOBSA-N -1 0 300.336 0.703 10 0 DCAERM CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000689235386 976245947 /nfs/dbraw/zinc/24/59/47/976245947.db2.gz YTWUSPOUAHHXTF-LDYMZIIASA-N -1 0 302.352 0.494 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCC3(C2)OCCO3)c1 ZINC000694194669 976679142 /nfs/dbraw/zinc/67/91/42/976679142.db2.gz UNRKUBKJBKBHAH-UHFFFAOYSA-N -1 0 303.292 0.115 10 0 DCAERM CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)NC ZINC000697822013 976864025 /nfs/dbraw/zinc/86/40/25/976864025.db2.gz QWOBRLIOEJUCJG-SNVBAGLBSA-N -1 0 300.336 0.188 10 0 DCAERM CC(C)(C)OC(=O)[C@H]1CN([C@H](C(=O)[O-])c2ccncc2)[C@@H]1N ZINC000090624540 185307242 /nfs/dbraw/zinc/30/72/42/185307242.db2.gz ONSFXVYQSMKKRO-SRVKXCTJSA-N -1 0 307.350 0.766 10 0 DCAERM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)N1CCCC[C@H]1C ZINC000267558056 299253969 /nfs/dbraw/zinc/25/39/69/299253969.db2.gz FTLPDFJUNSGKEC-ZJUUUORDSA-N -1 0 322.365 0.005 10 0 DCAERM O=C([O-])C[C@@H]1COCCN1C(=O)c1cnc2ccccc2n1 ZINC000262314269 304079090 /nfs/dbraw/zinc/07/90/90/304079090.db2.gz QDJSTXOUHIIWBW-SNVBAGLBSA-N -1 0 301.302 0.946 10 0 DCAERM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](CF)C(=O)[O-] ZINC000262890811 283432833 /nfs/dbraw/zinc/43/28/33/283432833.db2.gz HVVMQLACOFGNDY-NXEZZACHSA-N -1 0 324.374 0.120 10 0 DCAERM Cc1c(C(=O)[O-])sc2ncnc(N3CCO[C@@H](CO)C3)c12 ZINC000167207926 291249039 /nfs/dbraw/zinc/24/90/39/291249039.db2.gz GMMGWZCWSGXKLK-MRVPVSSYSA-N -1 0 309.347 0.895 10 0 DCAERM COc1ccc(NC(=O)CS(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC000019955431 182169948 /nfs/dbraw/zinc/16/99/48/182169948.db2.gz VCXIPNYUSWLNON-QMMMGPOBSA-N -1 0 301.320 0.522 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1 ZINC000020552038 182230897 /nfs/dbraw/zinc/23/08/97/182230897.db2.gz GJCNGTVQFCXQQL-GZMMTYOYSA-N -1 0 301.320 0.002 10 0 DCAERM O=C([O-])CSc1nnc(N[C@H]2CCS(=O)(=O)C2)s1 ZINC000020582839 182235198 /nfs/dbraw/zinc/23/51/98/182235198.db2.gz IEGPCARTGHNOLR-YFKPBYRVSA-N -1 0 309.394 0.314 10 0 DCAERM Cc1nn(CC(=O)[O-])c(C)c1S(=O)(=O)N1CCCCC1 ZINC000021950364 182299358 /nfs/dbraw/zinc/29/93/58/182299358.db2.gz WAFJASDJRHKIRL-UHFFFAOYSA-N -1 0 301.368 0.759 10 0 DCAERM NC(=O)C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000022218294 182313589 /nfs/dbraw/zinc/31/35/89/182313589.db2.gz OXIJOHUDYBKWIG-SCSAIBSYSA-N -1 0 305.084 0.101 10 0 DCAERM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H]1C1CC1 ZINC000262690063 304197279 /nfs/dbraw/zinc/19/72/79/304197279.db2.gz ZXWAYVOTJVCURY-WOPDTQHZSA-N -1 0 315.391 0.523 10 0 DCAERM C[C@@H]1C(=O)CC[C@@H](C(=O)[N-]S(=O)(=O)C2COC2)C1(C)C ZINC000408475042 296251369 /nfs/dbraw/zinc/25/13/69/296251369.db2.gz AZVCQDMSQQDGMT-SCZZXKLOSA-N -1 0 303.380 0.473 10 0 DCAERM COC(=O)CCN(C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000042551411 183284002 /nfs/dbraw/zinc/28/40/02/183284002.db2.gz VBPRTTPGTCCWSL-UHFFFAOYSA-N -1 0 307.349 0.630 10 0 DCAERM CCN1C[C@H](C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])CC1=O ZINC000262259917 220466511 /nfs/dbraw/zinc/46/65/11/220466511.db2.gz WPTXNLQXWMTAJC-MNOVXSKESA-N -1 0 314.382 0.629 10 0 DCAERM NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000005345103 395682621 /nfs/dbraw/zinc/68/26/21/395682621.db2.gz IGXNEWBBDRNQPG-UHFFFAOYSA-N -1 0 309.376 0.933 10 0 DCAERM O=C([O-])CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000032917656 395714558 /nfs/dbraw/zinc/71/45/58/395714558.db2.gz RHDJIKCOOVMLLQ-UHFFFAOYSA-N -1 0 319.722 0.919 10 0 DCAERM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)[O-] ZINC000032917816 395714618 /nfs/dbraw/zinc/71/46/18/395714618.db2.gz ZOTROYRVOHLKAI-UHFFFAOYSA-N -1 0 304.324 0.171 10 0 DCAERM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)[O-] ZINC000032917992 395714730 /nfs/dbraw/zinc/71/47/30/395714730.db2.gz PZHOTIVGIWWYHM-UHFFFAOYSA-N -1 0 318.351 0.182 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1F ZINC000036904852 395724811 /nfs/dbraw/zinc/72/48/11/395724811.db2.gz IUHZJUXMCSZDMU-IONNQARKSA-N -1 0 307.274 0.173 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000036965390 395725149 /nfs/dbraw/zinc/72/51/49/395725149.db2.gz AKNYZWQDXUTHIU-NOZJJQNGSA-N -1 0 313.375 0.678 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000195425811 395826491 /nfs/dbraw/zinc/82/64/91/395826491.db2.gz FKSVNFGARRMEJK-IUCAKERBSA-N -1 0 302.318 0.884 10 0 DCAERM Cc1nc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)[O-])cn1C ZINC000194506631 395798135 /nfs/dbraw/zinc/79/81/35/395798135.db2.gz RBSCVKYAJADWIE-LBPRGKRZSA-N -1 0 321.358 0.933 10 0 DCAERM COCC(=O)N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000127524381 395915801 /nfs/dbraw/zinc/91/58/01/395915801.db2.gz WLBWZRMXZIBWFN-UHFFFAOYSA-N -1 0 314.288 0.601 10 0 DCAERM C[C@H]1SCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H]1C ZINC000132351159 395926443 /nfs/dbraw/zinc/92/64/43/395926443.db2.gz OEFDQOAJUWRTPZ-RNFRBKRXSA-N -1 0 305.381 0.622 10 0 DCAERM C[C@H](CCCC(=O)[O-])NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000227190133 395867763 /nfs/dbraw/zinc/86/77/63/395867763.db2.gz AZEWPUOHPZGWRI-VWYCJHECSA-N -1 0 308.400 0.573 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000227635107 395869338 /nfs/dbraw/zinc/86/93/38/395869338.db2.gz KSHMBTHQQHBTDO-MWLCHTKSSA-N -1 0 316.383 0.112 10 0 DCAERM COCCN1CCN(CC(=O)[N-]OCc2ccccc2)C[C@@H]1C ZINC000119399848 395870946 /nfs/dbraw/zinc/87/09/46/395870946.db2.gz FHTMUTJDMUMENS-HNNXBMFYSA-N -1 0 321.421 0.887 10 0 DCAERM CSCCCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000229195639 395873868 /nfs/dbraw/zinc/87/38/68/395873868.db2.gz ZGCLKODXTCSNNR-JTQLQIEISA-N -1 0 310.441 0.761 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cnc(C)s2)C1 ZINC000230107384 395878913 /nfs/dbraw/zinc/87/89/13/395878913.db2.gz KADOGXWNEPUVCJ-YUMQZZPRSA-N -1 0 306.365 0.314 10 0 DCAERM CC[C@]1(C(=O)[O-])CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000062925668 395974494 /nfs/dbraw/zinc/97/44/94/395974494.db2.gz GSXGJPIQQBJAQH-GWCFXTLKSA-N -1 0 318.395 0.412 10 0 DCAERM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCN(C)CC2)c1 ZINC000063444947 395976907 /nfs/dbraw/zinc/97/69/07/395976907.db2.gz XKAOORHRIUZWEP-UHFFFAOYSA-N -1 0 311.407 0.754 10 0 DCAERM C[C@H](CO)[C@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000151911820 395995800 /nfs/dbraw/zinc/99/58/00/395995800.db2.gz OMPTZJBCUNIBAU-ZJUUUORDSA-N -1 0 300.380 0.805 10 0 DCAERM C[C@@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)[O-] ZINC000071405158 396113337 /nfs/dbraw/zinc/11/33/37/396113337.db2.gz ZVKYCXIUVDEVMO-SNVBAGLBSA-N -1 0 306.370 0.957 10 0 DCAERM CCCn1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000262421700 396138090 /nfs/dbraw/zinc/13/80/90/396138090.db2.gz QQZORKOZVVJVHU-SWLSCSKDSA-N -1 0 307.350 0.856 10 0 DCAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CNC(=O)CCC(C)C)C1 ZINC000263181779 396205281 /nfs/dbraw/zinc/20/52/81/396205281.db2.gz WZQYXEVJXQDAQX-NEPJUHHUSA-N -1 0 314.382 0.629 10 0 DCAERM O=C([O-])C[C@@]1(NC(=O)c2cnc3ccccc3n2)CCOC1 ZINC000263087095 396200714 /nfs/dbraw/zinc/20/07/14/396200714.db2.gz VFMMJCSWXWEQTJ-HNNXBMFYSA-N -1 0 301.302 0.993 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCCCC(=O)[O-] ZINC000263146211 396202813 /nfs/dbraw/zinc/20/28/13/396202813.db2.gz WGKXBCZFSGCODN-LBPRGKRZSA-N -1 0 320.411 0.562 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CCOC[C@@H]2CCCO2)C1 ZINC000263139384 396203073 /nfs/dbraw/zinc/20/30/73/396203073.db2.gz UBGKTDDINNKERZ-FRRDWIJNSA-N -1 0 315.366 0.663 10 0 DCAERM CN(C)c1ncccc1O[C@@H]1CCN(C(=O)NCCC(=O)[O-])C1 ZINC000263386990 396215389 /nfs/dbraw/zinc/21/53/89/396215389.db2.gz PVTAAMAUAWOKSF-LLVKDONJSA-N -1 0 322.365 0.785 10 0 DCAERM C[C@@]1(C(=O)[O-])CCCN1C(=O)CCn1nc2ccccn2c1=O ZINC000263492621 396219143 /nfs/dbraw/zinc/21/91/43/396219143.db2.gz XEJQTRRTEQZBHP-HNNXBMFYSA-N -1 0 318.333 0.352 10 0 DCAERM Cc1c([C@H](NS(=O)(=O)N2CCC[C@@H]2C)C(=O)[O-])cnn1C ZINC000530383144 396576635 /nfs/dbraw/zinc/57/66/35/396576635.db2.gz OMOOAKWATCLSIF-KWQFWETISA-N -1 0 316.383 0.173 10 0 DCAERM C[C@H]1OCCN(S(=O)(=O)CCCC(F)(F)F)[C@@H]1C(=O)[O-] ZINC000328467097 396822578 /nfs/dbraw/zinc/82/25/78/396822578.db2.gz LUOHTUBRJLGJOY-SFYZADRCSA-N -1 0 319.301 0.833 10 0 DCAERM Cc1ccc(-n2[n-]c(C(=O)N3CC(n4ccnn4)C3)cc2=O)cc1 ZINC000375781215 396817456 /nfs/dbraw/zinc/81/74/56/396817456.db2.gz VBTXKXIYOUJAOG-UHFFFAOYSA-N -1 0 324.344 0.763 10 0 DCAERM O=C([O-])[C@@]1(CNS(=O)(=O)c2cccs2)CCCOC1 ZINC000630432124 397019860 /nfs/dbraw/zinc/01/98/60/397019860.db2.gz KWANOUNLDUXOAH-LLVKDONJSA-N -1 0 305.377 0.908 10 0 DCAERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]1C(=O)[O-] ZINC000384576554 397281017 /nfs/dbraw/zinc/28/10/17/397281017.db2.gz RUPYEPWKKPUUFH-SECBINFHSA-N -1 0 300.292 0.751 10 0 DCAERM C[C@H]1C[C@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000386847354 397290652 /nfs/dbraw/zinc/29/06/52/397290652.db2.gz XJMOIFZLFZXXDL-JGVFFNPUSA-N -1 0 303.340 0.201 10 0 DCAERM C[C@@]1(C(=O)NCc2nnn[n-]2)CCCN1C(=O)c1ccccc1 ZINC000604867734 397655999 /nfs/dbraw/zinc/65/59/99/397655999.db2.gz HFDAHPRRXBOZIJ-HNNXBMFYSA-N -1 0 314.349 0.511 10 0 DCAERM CCOC(=O)CCS(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000124665428 158245527 /nfs/dbraw/zinc/24/55/27/158245527.db2.gz YHIVGULLSIQLGT-UHFFFAOYSA-N -1 0 317.319 0.785 10 0 DCAERM CCN1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1=O ZINC000190542048 158561241 /nfs/dbraw/zinc/56/12/41/158561241.db2.gz UYEWOJONGGDSGZ-UHFFFAOYSA-N -1 0 300.318 0.840 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3ccccc3n2)C1 ZINC000261624081 158723418 /nfs/dbraw/zinc/72/34/18/158723418.db2.gz GXLOEZDYBNVWRM-RNCFNFMXSA-N -1 0 301.302 0.944 10 0 DCAERM CC(C)(C)c1cc(C(=O)NCc2cn(CC(=O)[O-])nn2)no1 ZINC000262779122 158840554 /nfs/dbraw/zinc/84/05/54/158840554.db2.gz IRONFVZLJDKSHR-UHFFFAOYSA-N -1 0 307.310 0.578 10 0 DCAERM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263560539 158887859 /nfs/dbraw/zinc/88/78/59/158887859.db2.gz REGQUPWUVLNNME-DCAQKATOSA-N -1 0 321.395 0.747 10 0 DCAERM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@H]1CCCOCC1 ZINC000408015718 160011046 /nfs/dbraw/zinc/01/10/46/160011046.db2.gz CZNFOHYPPSCRHG-JTQLQIEISA-N -1 0 313.379 0.451 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408131113 160043369 /nfs/dbraw/zinc/04/33/69/160043369.db2.gz GIFUSAOWQWGSQW-VHSXEESVSA-N -1 0 301.368 0.430 10 0 DCAERM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)c1 ZINC000408191466 160056892 /nfs/dbraw/zinc/05/68/92/160056892.db2.gz HWHRUINBOFXKEC-LBPRGKRZSA-N -1 0 312.391 0.439 10 0 DCAERM O=C1NCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000408213079 160061414 /nfs/dbraw/zinc/06/14/14/160061414.db2.gz CMZFYEWSBUWJIQ-LURJTMIESA-N -1 0 323.168 0.599 10 0 DCAERM Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000408230542 160064653 /nfs/dbraw/zinc/06/46/53/160064653.db2.gz BWRNRJSACDRKTD-GFCCVEGCSA-N -1 0 316.404 0.778 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)O1 ZINC000408300274 160080060 /nfs/dbraw/zinc/08/00/60/160080060.db2.gz XFQSFQXEAPYLTO-KWQFWETISA-N -1 0 313.331 0.788 10 0 DCAERM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000408318668 160083968 /nfs/dbraw/zinc/08/39/68/160083968.db2.gz ZZOBMYNZUGYLRG-GJMOJQLCSA-N -1 0 300.302 0.477 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000408456102 160111783 /nfs/dbraw/zinc/11/17/83/160111783.db2.gz ZTFDHOQIAHVJLM-SNVBAGLBSA-N -1 0 318.420 0.582 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1ccc(Br)o1 ZINC000408476307 160116478 /nfs/dbraw/zinc/11/64/78/160116478.db2.gz KVWDYPOBDIPHSG-UHFFFAOYSA-N -1 0 310.125 0.501 10 0 DCAERM CC1(C)Cc2cc(C(=O)[N-]S(=O)(=O)C3COC3)ccc2O1 ZINC000408497061 160119671 /nfs/dbraw/zinc/11/96/71/160119671.db2.gz IJBYVYNYEZZINM-UHFFFAOYSA-N -1 0 311.359 0.859 10 0 DCAERM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cccnc3)c2C1 ZINC000408497795 160119678 /nfs/dbraw/zinc/11/96/78/160119678.db2.gz JWNSYXMQRFSMGN-JTQLQIEISA-N -1 0 320.374 0.979 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cn2c(n1)CCC2 ZINC000408503860 160120363 /nfs/dbraw/zinc/12/03/63/160120363.db2.gz WVSALAXQRFFOCD-UHFFFAOYSA-N -1 0 323.378 0.298 10 0 DCAERM COC[C@H](C)S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F ZINC000399733353 287231002 /nfs/dbraw/zinc/23/10/02/287231002.db2.gz USTLBCAEILIANM-JGVFFNPUSA-N -1 0 321.317 0.984 10 0 DCAERM CN(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000040591425 415196870 /nfs/dbraw/zinc/19/68/70/415196870.db2.gz PVYZBWXGIXLUIK-DTWKUNHWSA-N -1 0 306.384 0.314 10 0 DCAERM CCn1cnc(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])c1 ZINC000092890183 415544871 /nfs/dbraw/zinc/54/48/71/415544871.db2.gz RMITYSAZBQGNCE-HTQZYQBOSA-N -1 0 305.381 0.440 10 0 DCAERM CS(=O)(=O)N1CCC(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000126879178 415880300 /nfs/dbraw/zinc/88/03/00/415880300.db2.gz VZKILZHYRVQXPO-UHFFFAOYSA-N -1 0 318.395 0.029 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)C1=Cc2cc(F)ccc2OC1 ZINC000357072430 416030316 /nfs/dbraw/zinc/03/03/16/416030316.db2.gz QKWAQKXWMSESKD-UHFFFAOYSA-N -1 0 301.281 0.920 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000263037598 416337458 /nfs/dbraw/zinc/33/74/58/416337458.db2.gz DBFCBGHOLXMABK-JQWIXIFHSA-N -1 0 320.411 0.512 10 0 DCAERM COc1ccc(NC(=O)c2cnc([O-])n(C)c2=O)c(OC)c1 ZINC000434862546 416499407 /nfs/dbraw/zinc/49/94/07/416499407.db2.gz UDUYFUDMFPWZPN-UHFFFAOYSA-N -1 0 305.290 0.755 10 0 DCAERM CCO[C@@H]1C[C@](NC(=O)Cn2cc(C)cn2)(C(=O)[O-])C1(C)C ZINC000439707711 416621450 /nfs/dbraw/zinc/62/14/50/416621450.db2.gz RAHMHDFLDVBTPZ-ABAIWWIYSA-N -1 0 309.366 0.966 10 0 DCAERM CC(=O)c1ccc2c(c1)CCN(C(=O)CCc1nnn[n-]1)CC2 ZINC000632115549 416915577 /nfs/dbraw/zinc/91/55/77/416915577.db2.gz VQWARKVKLTWZJC-UHFFFAOYSA-N -1 0 313.361 0.962 10 0 DCAERM CCO[C@@H]1C[C@](NC(=O)NCCn2cccn2)(C(=O)[O-])C1(C)C ZINC000520788222 416975444 /nfs/dbraw/zinc/97/54/44/416975444.db2.gz ACDSRCGXTZGVFK-ABAIWWIYSA-N -1 0 324.381 0.841 10 0 DCAERM O=C([O-])COCCNC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000380899641 417086494 /nfs/dbraw/zinc/08/64/94/417086494.db2.gz OKGPGIORLMIMTM-UHFFFAOYSA-N -1 0 321.377 0.615 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1 ZINC000408477498 417164627 /nfs/dbraw/zinc/16/46/27/417164627.db2.gz OEJAHAGPIAXLNB-MRVPVSSYSA-N -1 0 303.340 0.187 10 0 DCAERM CC(=O)c1cn(CC(=O)N=c2nc(C3(C)CC3)[n-]s2)nn1 ZINC000529701674 417488636 /nfs/dbraw/zinc/48/86/36/417488636.db2.gz QKFLKKHJEUVIEU-UHFFFAOYSA-N -1 0 306.351 0.444 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000530148932 417544050 /nfs/dbraw/zinc/54/40/50/417544050.db2.gz DPEXGZVGGBGZEF-CMPLNLGQSA-N -1 0 306.384 0.281 10 0 DCAERM O=C([O-])C1(CNC(=O)N[C@@H]2CCCC[C@@H]2O)CCOCC1 ZINC000166152365 545877774 /nfs/dbraw/zinc/87/77/74/545877774.db2.gz NKKISCYHWPIEEP-MNOVXSKESA-N -1 0 300.355 0.471 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)c1 ZINC000645975339 417838643 /nfs/dbraw/zinc/83/86/43/417838643.db2.gz YIXFHXRTRAZDQR-SCZZXKLOSA-N -1 0 303.336 0.807 10 0 DCAERM CC1(C)OCC[C@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000663431500 418020242 /nfs/dbraw/zinc/02/02/42/418020242.db2.gz KOBGYSVLAJXERR-ZETCQYMHSA-N -1 0 303.340 0.201 10 0 DCAERM C[C@H]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)[C@H]1C(=O)[O-] ZINC000261606364 299830292 /nfs/dbraw/zinc/83/02/92/299830292.db2.gz AJJDQTADWFSUHY-IINYFYTJSA-N -1 0 320.345 0.876 10 0 DCAERM COCC[C@@H](C)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263503699 292628046 /nfs/dbraw/zinc/62/80/46/292628046.db2.gz UTOWBSXJMNTIFN-NTZNESFSSA-N -1 0 305.396 0.928 10 0 DCAERM Cc1noc(CCNC(=O)N2CCSC[C@H]2C(=O)[O-])n1 ZINC000231909360 261153795 /nfs/dbraw/zinc/15/37/95/261153795.db2.gz RWRHECPYRRIDEL-QMMMGPOBSA-N -1 0 300.340 0.132 10 0 DCAERM O=c1nc(CN2CCN3CCOC[C@H]3C2)[n-]c2ccsc21 ZINC000363798237 262131562 /nfs/dbraw/zinc/13/15/62/262131562.db2.gz WUHCBPTTWONEJS-SNVBAGLBSA-N -1 0 306.391 0.913 10 0 DCAERM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(C)n2)c(C)c1 ZINC000451025229 271888294 /nfs/dbraw/zinc/88/82/94/271888294.db2.gz BHHZQFKNQVWCMH-UHFFFAOYSA-N -1 0 310.335 0.711 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000263035769 277992801 /nfs/dbraw/zinc/99/28/01/277992801.db2.gz CXOGKRACRBLGDT-MWLCHTKSSA-N -1 0 306.384 0.170 10 0 DCAERM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000261964567 278915882 /nfs/dbraw/zinc/91/58/82/278915882.db2.gz AVBJZUANSOUMSZ-VWYCJHECSA-N -1 0 314.407 0.771 10 0 DCAERM CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC ZINC000547914467 288091899 /nfs/dbraw/zinc/09/18/99/288091899.db2.gz GAKBVNWDXYGQEE-UWVGGRQHSA-N -1 0 307.368 0.455 10 0 DCAERM O=C([O-])[C@@H](NS(=O)(=O)CCCC(F)(F)F)[C@@H]1CCOC1 ZINC000548203028 288120734 /nfs/dbraw/zinc/12/07/34/288120734.db2.gz JPQXMPSAVANEPF-SFYZADRCSA-N -1 0 319.301 0.738 10 0 DCAERM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262167856 281158180 /nfs/dbraw/zinc/15/81/80/281158180.db2.gz QFLMSOVHVXKDHW-RYUDHWBXSA-N -1 0 308.378 0.957 10 0 DCAERM CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000262289669 281877600 /nfs/dbraw/zinc/87/76/00/281877600.db2.gz KXQONOGMEONVRE-WDEREUQCSA-N -1 0 300.355 0.383 10 0 DCAERM COC[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CC(C)(C)O1 ZINC000343343321 293234338 /nfs/dbraw/zinc/23/43/38/293234338.db2.gz XUFOARPLYQYACO-GFCCVEGCSA-N -1 0 306.366 0.648 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)nnn3C)C1 ZINC000262217280 294594935 /nfs/dbraw/zinc/59/49/35/294594935.db2.gz ZCGYQIIWWHNRKY-CABZTGNLSA-N -1 0 304.306 0.282 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000262089542 294595326 /nfs/dbraw/zinc/59/53/26/294595326.db2.gz CGKOXTOKHSBZAZ-STQMWFEESA-N -1 0 316.317 0.581 10 0 DCAERM C[C@H](CC(=O)[O-])NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000262974107 298312219 /nfs/dbraw/zinc/31/22/19/298312219.db2.gz MAPSHRDOEYKKNF-OLUVUFQESA-N -1 0 322.365 0.309 10 0 DCAERM O=C1C[C@@H]([N-]S(=O)(=O)CC(F)(F)F)[C@H]2CCCCN12 ZINC000407974487 304644537 /nfs/dbraw/zinc/64/45/37/304644537.db2.gz BMIUVGSRINMTGI-HTQZYQBOSA-N -1 0 300.302 0.622 10 0 DCAERM C[C@]1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCCNC1=O ZINC000329082099 300748616 /nfs/dbraw/zinc/74/86/16/300748616.db2.gz SDOHVHZXKGWWKF-OTYXRUKQSA-N -1 0 307.354 0.973 10 0 DCAERM O=S(=O)(CC(F)(F)F)[N-][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000408315506 304732724 /nfs/dbraw/zinc/73/27/24/304732724.db2.gz IHTARTQONQPNPN-RKDXNWHRSA-N -1 0 303.302 0.806 10 0 DCAERM Cc1nc([C@H]2CN(C(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CCO2)no1 ZINC000263569541 302643645 /nfs/dbraw/zinc/64/36/45/302643645.db2.gz ZMLZDWYQYMVDTI-KXUCPTDWSA-N -1 0 309.322 0.635 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000583176613 337255231 /nfs/dbraw/zinc/25/52/31/337255231.db2.gz UASZMYOKGILFAM-NKWVEPMBSA-N -1 0 304.290 0.711 10 0 DCAERM Cc1[n-][nH]c(=O)c1S(=O)(=O)c1ccc(O)c2ncccc12 ZINC000584653345 337381290 /nfs/dbraw/zinc/38/12/90/337381290.db2.gz DAHZRUCXRDBNLN-LBPRGKRZSA-N -1 0 305.315 0.588 10 0 DCAERM Cc1ccccc1S([O-])=CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000157089649 525451545 /nfs/dbraw/zinc/45/15/45/525451545.db2.gz RQNZPVYWLHHMFD-XUSGNXJCSA-N -1 0 308.403 0.827 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)c2cc(-n3cccn3)ccn2)CCSC1 ZINC000262916125 526297277 /nfs/dbraw/zinc/29/72/77/526297277.db2.gz IANILKOZQNDONA-CQSZACIVSA-N -1 0 318.358 0.957 10 0 DCAERM C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@H]1CCCO1 ZINC000134675452 545801442 /nfs/dbraw/zinc/80/14/42/545801442.db2.gz VNWXTFNNKDQQMS-RNFRBKRXSA-N -1 0 306.365 0.687 10 0 DCAERM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCO[C@H]1C ZINC000149357360 545811045 /nfs/dbraw/zinc/81/10/45/545811045.db2.gz MQNVHJJPDPNNLG-WPRPVWTQSA-N -1 0 315.347 0.849 10 0 DCAERM COc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C)cc1C(=O)[O-] ZINC000149336637 545811601 /nfs/dbraw/zinc/81/16/01/545811601.db2.gz FYADLQUNDSCVNE-KWQFWETISA-N -1 0 315.347 0.849 10 0 DCAERM O=C(NCCNC(=O)c1c([O-])cc(F)cc1F)c1ccn[nH]1 ZINC000180934684 545902545 /nfs/dbraw/zinc/90/25/45/545902545.db2.gz NMDAYSQBWZAECM-UHFFFAOYSA-N -1 0 310.260 0.553 10 0 DCAERM [NH3+][C@@H](CC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000034046038 571750042 /nfs/dbraw/zinc/75/00/42/571750042.db2.gz ZARXTZFGQZBYFO-CMPLNLGQSA-N -1 0 319.317 0.082 10 0 endogenous,in-man DCAERM [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000034349836 571751791 /nfs/dbraw/zinc/75/17/91/571751791.db2.gz PEEAINPHPNDNGE-ZYHUDNBSSA-N -1 0 319.317 0.082 10 0 endogenous,in-man DCAERM CCCC(=O)NCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262245254 658880937 /nfs/dbraw/zinc/88/09/37/658880937.db2.gz LDQCNCUWHQWBIQ-HTQZYQBOSA-N -1 0 310.272 0.624 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCCCOC ZINC000184697712 659228998 /nfs/dbraw/zinc/22/89/98/659228998.db2.gz ITFVNLAYTTXAFQ-LBPRGKRZSA-N -1 0 306.428 0.733 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)NC[C@H](CCO)c2ccccc2)O1 ZINC000262332305 662328681 /nfs/dbraw/zinc/32/86/81/662328681.db2.gz VHERADOZMJCLOR-MELADBBJSA-N -1 0 307.346 0.901 10 0 DCAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)Cc2cn3ccccc3n2)C1 ZINC000263003828 662613412 /nfs/dbraw/zinc/61/34/12/662613412.db2.gz KZTWZHRJWKGJQP-OLZOCXBDSA-N -1 0 317.345 0.967 10 0 DCAERM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000263225531 662660011 /nfs/dbraw/zinc/66/00/11/662660011.db2.gz ZYVBPUYJWJGAQH-STQMWFEESA-N -1 0 304.346 0.715 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000251073514 663150427 /nfs/dbraw/zinc/15/04/27/663150427.db2.gz GCPJDTYACUYMSI-QJPTWQEYSA-N -1 0 320.411 0.169 10 0 DCAERM COc1ccc(S(=O)(=O)NC2CC(C(=O)[O-])C2)cc1F ZINC000703517645 667092473 /nfs/dbraw/zinc/09/24/73/667092473.db2.gz LCGQPHTVLDLLOW-UHFFFAOYSA-N -1 0 303.311 0.976 10 0 DCAERM CCO[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000706436257 667413929 /nfs/dbraw/zinc/41/39/29/667413929.db2.gz YXBCRPCHINSZMU-JTQLQIEISA-N -1 0 300.336 0.579 10 0 DCAERM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000037415011 668095132 /nfs/dbraw/zinc/09/51/32/668095132.db2.gz XMDOHZUZJXWJHX-KCJUWKMLSA-N -1 0 314.363 0.563 10 0 DCAERM O=C([O-])CCCS(=O)(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000712696625 670151009 /nfs/dbraw/zinc/15/10/09/670151009.db2.gz WNLQZLSZQKNQAW-DGCLKSJQSA-N -1 0 305.396 0.976 10 0 DCAERM O=C([O-])CC1(NC(=O)OCc2ccccc2)CS(=O)(=O)C1 ZINC000757154757 670354518 /nfs/dbraw/zinc/35/45/18/670354518.db2.gz KYGSXYCQKHLWDK-UHFFFAOYSA-N -1 0 313.331 0.555 10 0 DCAERM NC(=O)[C@H]1CCN1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000757154897 670354624 /nfs/dbraw/zinc/35/46/24/670354624.db2.gz BYGNENYGWWRGIT-GFCCVEGCSA-N -1 0 305.334 0.643 10 0 DCAERM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000195284915 670479230 /nfs/dbraw/zinc/47/92/30/670479230.db2.gz NBHQVRNLTYXXHQ-NSHDSACASA-N -1 0 310.375 0.580 10 0 DCAERM CC(C)C[C@H](CNC(=O)N(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000094706407 685110206 /nfs/dbraw/zinc/11/02/06/685110206.db2.gz QOHHHRSRQGZWIL-SNVBAGLBSA-N -1 0 308.400 0.419 10 0 DCAERM CCc1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)s1 ZINC000386415553 685249017 /nfs/dbraw/zinc/24/90/17/685249017.db2.gz GTPHDAYTORTLFO-LLVKDONJSA-N -1 0 305.377 0.521 10 0 DCAERM COc1ccc(CCC(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000261620463 1157713792 /nfs/dbraw/zinc/71/37/92/1157713792.db2.gz CCHRDHGURGLAGO-UHFFFAOYSA-N -1 0 318.333 0.620 10 0 DCAERM C[C@H](CCCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000123265823 1177041620 /nfs/dbraw/zinc/04/16/20/1177041620.db2.gz DZUXZBGUIYFSGY-ZJUUUORDSA-N -1 0 306.384 0.316 10 0 DCAERM C[C@@]1(c2cccc(C[N-]C(=O)C(F)(F)F)c2)NC(=O)NC1=O ZINC000171306971 1183722239 /nfs/dbraw/zinc/72/22/39/1183722239.db2.gz HWUCNBDUXVRWKK-LBPRGKRZSA-N -1 0 315.251 0.920 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CN2CCc3ccccc32)C1 ZINC000262198876 1185163495 /nfs/dbraw/zinc/16/34/95/1185163495.db2.gz VPRCEVFFYOCIDT-TZMCWYRMSA-N -1 0 304.346 0.750 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)COCCOc2ccccc2)C1 ZINC000262169413 1185163858 /nfs/dbraw/zinc/16/38/58/1185163858.db2.gz QGFYSXKAOVHIJW-KGLIPLIRSA-N -1 0 323.345 0.783 10 0 DCAERM COCc1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000262315618 1185165829 /nfs/dbraw/zinc/16/58/29/1185165829.db2.gz QFOITKIWQSDDKH-UHFFFAOYSA-N -1 0 304.306 0.439 10 0 DCAERM CC[C@@](C)(NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000262487260 1185168120 /nfs/dbraw/zinc/16/81/20/1185168120.db2.gz VQVBWRJQSWHEND-CQSZACIVSA-N -1 0 306.322 0.256 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000262505565 1185168497 /nfs/dbraw/zinc/16/84/97/1185168497.db2.gz MJTOCTUZKXZFET-VXGBXAGGSA-N -1 0 321.333 0.169 10 0 DCAERM C[C@@H](C(=O)NCc1cn(CC(=O)[O-])nn1)c1cccc(F)c1 ZINC000262820790 1185172810 /nfs/dbraw/zinc/17/28/10/1185172810.db2.gz PQCCZAAOHQSPKP-SECBINFHSA-N -1 0 306.297 0.922 10 0 DCAERM CO[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)C(=O)[O-] ZINC000263154004 1185176370 /nfs/dbraw/zinc/17/63/70/1185176370.db2.gz XJKNNMABCCDSCL-GHMZBOCLSA-N -1 0 314.382 0.629 10 0 DCAERM CO[C@H](CNC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(=O)[O-] ZINC000263152302 1185176985 /nfs/dbraw/zinc/17/69/85/1185176985.db2.gz XCCLOUZPNBTCHB-CHWSQXEVSA-N -1 0 308.334 0.470 10 0 DCAERM CCOC(=O)[C@@]1(COC)CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC000263410507 1185178707 /nfs/dbraw/zinc/17/87/07/1185178707.db2.gz MDGWPUDXGVYTPD-HNNXBMFYSA-N -1 0 323.349 0.971 10 0 DCAERM CC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000689097777 954639157 /nfs/dbraw/zinc/63/91/57/954639157.db2.gz PXVSUJRTKBLATF-VWYCJHECSA-N -1 0 306.384 0.280 10 0 DCAERM O=C([O-])[C@@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC000697967414 954836258 /nfs/dbraw/zinc/83/62/58/954836258.db2.gz CZFOTIWOKXVGPH-ONGXEEELSA-N -1 0 303.380 0.428 10 0 DCAERM C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000688094456 976167372 /nfs/dbraw/zinc/16/73/72/976167372.db2.gz JKWXIUPWMPNTQW-IUCAKERBSA-N -1 0 303.336 0.902 10 0 DCAERM NC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000690731142 976329832 /nfs/dbraw/zinc/32/98/32/976329832.db2.gz MHXNAKDHRXFRGI-ZETCQYMHSA-N -1 0 318.376 0.332 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000691337335 976352481 /nfs/dbraw/zinc/35/24/81/976352481.db2.gz SSWXXJVRVKHKGE-UWVGGRQHSA-N -1 0 301.320 0.824 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCO[C@@H](CCF)C2)c1 ZINC000692044096 976399206 /nfs/dbraw/zinc/39/92/06/976399206.db2.gz AMDCUXUPAUNBNI-VIFPVBQESA-N -1 0 307.299 0.727 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NC/C=C(/C)C(=O)[O-] ZINC000692509106 976517900 /nfs/dbraw/zinc/51/79/00/976517900.db2.gz LVEZHFYXSPWUSR-CLTKARDFSA-N -1 0 319.360 0.844 10 0 DCAERM Cn1cc(Br)c(C(=O)NC2(C(=O)[O-])CCC2)n1 ZINC000693065083 976586806 /nfs/dbraw/zinc/58/68/06/976586806.db2.gz IUMMNZDQJVCEQO-UHFFFAOYSA-N -1 0 302.128 0.920 10 0 DCAERM CCNC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694193105 976679571 /nfs/dbraw/zinc/67/95/71/976679571.db2.gz IAZGIMUWMJUZIH-UHFFFAOYSA-N -1 0 304.324 0.125 10 0 DCAERM NS(=O)(=O)c1cc(Br)cc2c([O-])cc(=O)[nH]c21 ZINC000088613858 185259916 /nfs/dbraw/zinc/25/99/16/185259916.db2.gz IFKHELPAGJPQOQ-UHFFFAOYSA-N -1 0 319.136 0.644 10 0 DCAERM COCc1cc2nn(CC(=O)[O-])c(=O)n2c(-c2ccccc2)n1 ZINC000073694958 191342962 /nfs/dbraw/zinc/34/29/62/191342962.db2.gz APGIOHWLGRFIMC-UHFFFAOYSA-N -1 0 314.301 0.789 10 0 DCAERM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263479403 291379151 /nfs/dbraw/zinc/37/91/51/291379151.db2.gz KJWUXDGOADBRIG-BBBLOLIVSA-N -1 0 307.368 0.310 10 0 DCAERM Cn1c(=O)[nH]c2ccc(C(=O)N3CCC[C@]3(C)C(=O)[O-])cc21 ZINC000263432717 203466590 /nfs/dbraw/zinc/46/65/90/203466590.db2.gz KZQWKJIOYAEXPP-OAHLLOKOSA-N -1 0 303.318 0.946 10 0 DCAERM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])C2=O ZINC000263505054 203474537 /nfs/dbraw/zinc/47/45/37/203474537.db2.gz ZUZDOECASPHABQ-ZJUUUORDSA-N -1 0 318.329 0.816 10 0 DCAERM O=C([O-])[C@@H]1c2ccsc2CCN1S(=O)(=O)c1c[nH]cn1 ZINC000070415661 304162994 /nfs/dbraw/zinc/16/29/94/304162994.db2.gz OESCKRFPRLCRJE-JTQLQIEISA-N -1 0 313.360 0.844 10 0 DCAERM O=C([O-])c1cc(N2C(=O)C[C@H](N3CCCC3)C2=O)ccc1O ZINC000019766895 182144585 /nfs/dbraw/zinc/14/45/85/182144585.db2.gz INVCUNPCYAAOTM-NSHDSACASA-N -1 0 304.302 0.818 10 0 DCAERM CS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)[O-])cc1 ZINC000019987326 182174284 /nfs/dbraw/zinc/17/42/84/182174284.db2.gz JBBIGVOJGPNABC-JTQLQIEISA-N -1 0 315.372 0.690 10 0 DCAERM Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])c1O ZINC000019987797 182174490 /nfs/dbraw/zinc/17/44/90/182174490.db2.gz YVLKGJJZCOIIGT-JTQLQIEISA-N -1 0 315.347 0.318 10 0 DCAERM C[C@@H](O)[C@@H](NC(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000020480840 182222421 /nfs/dbraw/zinc/22/24/21/182222421.db2.gz PSJZGUXSEQRPEZ-SVGQVSJJSA-N -1 0 303.112 0.408 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC000021505783 182275693 /nfs/dbraw/zinc/27/56/93/182275693.db2.gz KRRLRUAGGXQEFV-SECBINFHSA-N -1 0 315.376 0.754 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1C(=O)c1ccc(Br)o1 ZINC000022173054 182312074 /nfs/dbraw/zinc/31/20/74/182312074.db2.gz XYHOKDVXELOBQL-NTSWFWBYSA-N -1 0 304.096 0.702 10 0 DCAERM CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000262078280 284502628 /nfs/dbraw/zinc/50/26/28/284502628.db2.gz KNJFARDZJCFONB-RYUDHWBXSA-N -1 0 311.382 0.703 10 0 DCAERM COC[C@H](O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000042510378 183278435 /nfs/dbraw/zinc/27/84/35/183278435.db2.gz JNSIGYQIHZGPHD-SSDOTTSWSA-N -1 0 309.365 0.074 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)CNC(=O)c2cccs2)CCSC1 ZINC000043509894 183368790 /nfs/dbraw/zinc/36/87/90/183368790.db2.gz TZASUZNAELXVGW-GFCCVEGCSA-N -1 0 314.388 0.554 10 0 DCAERM O=C([O-])[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C(F)(F)F ZINC000262281407 220468785 /nfs/dbraw/zinc/46/87/85/220468785.db2.gz NYJCRDFSUUTZMG-RKDXNWHRSA-N -1 0 318.251 0.570 10 0 DCAERM O=C([O-])[C@@H]1CC(=O)N([C@H](CN2CCOCC2)c2ccccc2)C1 ZINC000011850224 395686839 /nfs/dbraw/zinc/68/68/39/395686839.db2.gz MHYYYHBRGFEJBB-HUUCEWRRSA-N -1 0 318.373 0.993 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000037463429 395727488 /nfs/dbraw/zinc/72/74/88/395727488.db2.gz XLKYWQZSAHAERW-XVKPBYJWSA-N -1 0 321.301 0.827 10 0 DCAERM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000044618094 395757263 /nfs/dbraw/zinc/75/72/63/395757263.db2.gz HXHHTCNUQXRSKU-LLVKDONJSA-N -1 0 315.347 0.957 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCCSCC2)C1 ZINC000048896296 395823851 /nfs/dbraw/zinc/82/38/51/395823851.db2.gz ZOIDVHPGZKRQMK-SNVBAGLBSA-N -1 0 308.425 0.467 10 0 DCAERM COCCN(CCOC)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000054304368 395896567 /nfs/dbraw/zinc/89/65/67/395896567.db2.gz MBEZBHLXWJQBBA-LBPRGKRZSA-N -1 0 302.371 0.888 10 0 DCAERM CN(C(=O)N1CCCC[C@@]1(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000134061040 395930829 /nfs/dbraw/zinc/93/08/29/395930829.db2.gz ONZXQUIYCUDMHA-MFKMUULPSA-N -1 0 318.395 0.555 10 0 DCAERM COC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)OC(C)(C)C ZINC000238333411 395922652 /nfs/dbraw/zinc/92/26/52/395922652.db2.gz MMCLYRSTZKPQDU-QMMMGPOBSA-N -1 0 308.356 0.393 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000130823112 395924049 /nfs/dbraw/zinc/92/40/49/395924049.db2.gz KSHMBTHQQHBTDO-ONGXEEELSA-N -1 0 316.383 0.112 10 0 DCAERM CCCN(CCC)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130838691 395924320 /nfs/dbraw/zinc/92/43/20/395924320.db2.gz CBGGJUKAVWARHX-NSHDSACASA-N -1 0 318.399 0.502 10 0 DCAERM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)N1CCS(=O)(=O)CC1 ZINC000137069260 395949908 /nfs/dbraw/zinc/94/99/08/395949908.db2.gz RPLSGMUYUMDJJA-SECBINFHSA-N -1 0 306.384 0.316 10 0 DCAERM CC[C@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC000148303443 395968035 /nfs/dbraw/zinc/96/80/35/395968035.db2.gz YUWHNPDRAWWLLK-VHSXEESVSA-N -1 0 306.384 0.316 10 0 DCAERM CC[C@@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC000148303833 395968205 /nfs/dbraw/zinc/96/82/05/395968205.db2.gz YUWHNPDRAWWLLK-ZJUUUORDSA-N -1 0 306.384 0.316 10 0 DCAERM CC(C)(C)OC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2ccncc2)[C@@H]1N ZINC000257352967 396046125 /nfs/dbraw/zinc/04/61/25/396046125.db2.gz ONSFXVYQSMKKRO-UTUOFQBUSA-N -1 0 307.350 0.766 10 0 DCAERM CN(C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000165403298 396088658 /nfs/dbraw/zinc/08/86/58/396088658.db2.gz MARCSFILTYJASG-GIPNMCIBSA-N -1 0 318.395 0.458 10 0 DCAERM Cc1nc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(=O)[O-])c[nH]1 ZINC000070418641 396101389 /nfs/dbraw/zinc/10/13/89/396101389.db2.gz QYLNUVYYFMPJFU-LLVKDONJSA-N -1 0 307.331 0.923 10 0 DCAERM Cc1ncc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c(C)n1 ZINC000262455121 396141818 /nfs/dbraw/zinc/14/18/18/396141818.db2.gz VCOJPCULFCZCBG-XHDPSFHLSA-N -1 0 305.334 0.657 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070556198 396102600 /nfs/dbraw/zinc/10/26/00/396102600.db2.gz KJLWRZMPGQZKAQ-VHSXEESVSA-N -1 0 307.368 0.502 10 0 DCAERM CN(C(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000070572196 396102813 /nfs/dbraw/zinc/10/28/13/396102813.db2.gz UKZVTCSIHLEQHX-AXFHLTTASA-N -1 0 318.395 0.458 10 0 DCAERM C[C@H](NC(=O)c1ccco1)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000262299456 396120035 /nfs/dbraw/zinc/12/00/35/396120035.db2.gz OIRCTUJXBJTBQA-UWVGGRQHSA-N -1 0 310.306 0.100 10 0 DCAERM CC1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000176739869 396159949 /nfs/dbraw/zinc/15/99/49/396159949.db2.gz GQJRVGSIELHPAN-UHFFFAOYSA-N -1 0 324.362 0.080 10 0 DCAERM CC[C@H](C)[C@@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC000263271768 396210936 /nfs/dbraw/zinc/21/09/36/396210936.db2.gz MEEPTEYXEWDLOT-HBNTYKKESA-N -1 0 317.407 0.817 10 0 DCAERM NC(=O)COc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262716642 396175979 /nfs/dbraw/zinc/17/59/79/396175979.db2.gz NQZCHYUEJCAZJP-WDEREUQCSA-N -1 0 306.318 0.534 10 0 DCAERM Cn1cc([C@@H]2CN(C(=O)c3ccc(C(=O)[O-])o3)CCO2)cn1 ZINC000262781211 396181339 /nfs/dbraw/zinc/18/13/39/396181339.db2.gz MFTNHTMIBWXRFC-LBPRGKRZSA-N -1 0 305.290 0.925 10 0 DCAERM Cc1cc(N2CCC[C@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)n(C)n1 ZINC000262890699 396190153 /nfs/dbraw/zinc/19/01/53/396190153.db2.gz YZFHMIDLCRESAV-JTQLQIEISA-N -1 0 320.349 0.205 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000263035770 396198624 /nfs/dbraw/zinc/19/86/24/396198624.db2.gz CXOGKRACRBLGDT-ONGXEEELSA-N -1 0 306.384 0.170 10 0 DCAERM COCCCOC1CN(C(=O)c2ccc(C(=O)[O-])c(C)n2)C1 ZINC000263332011 396214427 /nfs/dbraw/zinc/21/44/27/396214427.db2.gz MFSKUIQYFZJPRX-UHFFFAOYSA-N -1 0 308.334 0.966 10 0 DCAERM Cc1[nH]nc([N-]S(=O)(=O)N2CCC[C@H](C)C2)c1C(N)=O ZINC000185610982 396331314 /nfs/dbraw/zinc/33/13/14/396331314.db2.gz DFGIZABJBLIFPQ-ZETCQYMHSA-N -1 0 301.372 0.206 10 0 DCAERM C[C@H]1OCCN(S(=O)(=O)c2cncc(F)c2)[C@@H]1C(=O)[O-] ZINC000328388624 396822178 /nfs/dbraw/zinc/82/21/78/396822178.db2.gz TYONLHWETNYZBT-XCBNKYQSSA-N -1 0 304.299 0.083 10 0 DCAERM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000328657097 396831501 /nfs/dbraw/zinc/83/15/01/396831501.db2.gz ZZJLDBYYBZPBHX-LBPRGKRZSA-N -1 0 307.350 0.943 10 0 DCAERM C[S@](=O)C1(CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000596655496 396811546 /nfs/dbraw/zinc/81/15/46/396811546.db2.gz WEAFCZAVYAABOJ-FVINQWEUSA-N -1 0 302.396 0.698 10 0 DCAERM CC[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1nccs1 ZINC000564920893 396899084 /nfs/dbraw/zinc/89/90/84/396899084.db2.gz QDXGCWANBQRKCZ-BDAKNGLRSA-N -1 0 319.408 0.978 10 0 DCAERM C[C@@H]1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1O ZINC000408090480 296542871 /nfs/dbraw/zinc/54/28/71/296542871.db2.gz CUYOBBCGZMUBLC-MFKMUULPSA-N -1 0 312.391 0.901 10 0 DCAERM CN(CCn1cccn1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000630655395 397071521 /nfs/dbraw/zinc/07/15/21/397071521.db2.gz DHSJRCAMMJTAGY-QWHCGFSZSA-N -1 0 306.366 0.422 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCOCC(F)(F)C2)N1C1CC1 ZINC000630668340 397075968 /nfs/dbraw/zinc/07/59/68/397075968.db2.gz DULHDDYLXGNGJW-WDEREUQCSA-N -1 0 318.320 0.561 10 0 DCAERM Cc1c(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)cnn1C ZINC000380652746 397270558 /nfs/dbraw/zinc/27/05/58/397270558.db2.gz QQAXCIBGRXKRMM-UHFFFAOYSA-N -1 0 316.364 0.362 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CCC[C@H]1CCC(=O)[O-] ZINC000381174836 397270846 /nfs/dbraw/zinc/27/08/46/397270846.db2.gz OWFWSIROQBAKJM-JTQLQIEISA-N -1 0 307.368 0.599 10 0 DCAERM Cc1nnc(-c2cccc(C(=O)NC3(c4nnn[n-]4)CC3)c2)o1 ZINC000574617557 397283230 /nfs/dbraw/zinc/28/32/30/397283230.db2.gz DCNODWFBWNYYNT-UHFFFAOYSA-N -1 0 311.305 0.977 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1C[C@@H](OC)C1 ZINC000599517675 397463746 /nfs/dbraw/zinc/46/37/46/397463746.db2.gz ICNNWQHNYCEJCD-OCAPTIKFSA-N -1 0 320.392 0.633 10 0 DCAERM CCCC[C@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000184955531 158513135 /nfs/dbraw/zinc/51/31/35/158513135.db2.gz IEFPWZMJEYWMQI-NSHDSACASA-N -1 0 320.349 0.646 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)NC(=O)c2ccoc2)C1 ZINC000262128078 158776243 /nfs/dbraw/zinc/77/62/43/158776243.db2.gz JXUSSBVXPQQYSF-IEBDPFPHSA-N -1 0 310.306 0.098 10 0 DCAERM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262141582 158778041 /nfs/dbraw/zinc/77/80/41/158778041.db2.gz MLPWVNWOYYVBOZ-HLTSFMKQSA-N -1 0 322.283 0.719 10 0 DCAERM CC(C)(C)S(=O)(=O)CCNC(=O)CC1(C(=O)[O-])CCC1 ZINC000262420506 158811522 /nfs/dbraw/zinc/81/15/22/158811522.db2.gz ASBCRDANLLHGDE-UHFFFAOYSA-N -1 0 305.396 0.961 10 0 DCAERM CCCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000262749167 158838771 /nfs/dbraw/zinc/83/87/71/158838771.db2.gz AELCZGVANZHJPH-SNVBAGLBSA-N -1 0 315.351 0.102 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCOC2CCOCC2)C1 ZINC000263003891 158852512 /nfs/dbraw/zinc/85/25/12/158852512.db2.gz VMOZBLIOCDNYQM-RYUDHWBXSA-N -1 0 301.339 0.273 10 0 DCAERM Cc1cc(CS(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)no1 ZINC000263460134 158881298 /nfs/dbraw/zinc/88/12/98/158881298.db2.gz DHILJPALJGQRGL-GXFFZTMASA-N -1 0 314.363 1.000 10 0 DCAERM CO[C@H](C)c1nc(=N[C@H]2CCN(c3cnn(C)c3)C2=O)s[n-]1 ZINC000367166065 159318714 /nfs/dbraw/zinc/31/87/14/159318714.db2.gz QYABYKGDBJJRGU-SCZZXKLOSA-N -1 0 322.394 0.618 10 0 DCAERM COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000370606962 159530701 /nfs/dbraw/zinc/53/07/01/159530701.db2.gz QYQLASCWNCFBIC-NSHDSACASA-N -1 0 320.411 0.529 10 0 DCAERM NC(=O)C[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000376670572 159870132 /nfs/dbraw/zinc/87/01/32/159870132.db2.gz GDQYAYRPERHYDN-VIFPVBQESA-N -1 0 312.347 0.271 10 0 DCAERM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408021236 160013520 /nfs/dbraw/zinc/01/35/20/160013520.db2.gz LLMNLHNHAWGZFY-GGZOMVNGSA-N -1 0 311.363 0.059 10 0 DCAERM NC(=O)[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)O1 ZINC000408121645 160041065 /nfs/dbraw/zinc/04/10/65/160041065.db2.gz FPQLDZZJDSNDFN-QWRGUYRKSA-N -1 0 318.395 0.046 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408133501 160044252 /nfs/dbraw/zinc/04/42/52/160044252.db2.gz OZOGUNOZUCLKKJ-QJPTWQEYSA-N -1 0 305.396 0.817 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CCCO1 ZINC000408157922 160049777 /nfs/dbraw/zinc/04/97/77/160049777.db2.gz LIGSSWMNIDOMEA-LBPRGKRZSA-N -1 0 315.351 0.040 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1sccc1C ZINC000408225096 160063713 /nfs/dbraw/zinc/06/37/13/160063713.db2.gz SBJGBQPPBDMVMN-SNVBAGLBSA-N -1 0 318.420 0.582 10 0 DCAERM Cc1ccn(C)c1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408250001 160070008 /nfs/dbraw/zinc/07/00/08/160070008.db2.gz GOHICCWXRHNFGM-LLVKDONJSA-N -1 0 300.380 0.820 10 0 DCAERM CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)C1COC1 ZINC000408475164 160116341 /nfs/dbraw/zinc/11/63/41/160116341.db2.gz CAXKTECXMSZXAS-ZYHUDNBSSA-N -1 0 305.396 0.817 10 0 DCAERM C[C@H](OC1CCCCCC1)C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408475418 160116394 /nfs/dbraw/zinc/11/63/94/160116394.db2.gz DWHFJDOGAHUTKX-JTQLQIEISA-N -1 0 305.396 0.959 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cn(CC2CC2)nn1 ZINC000408491295 160119175 /nfs/dbraw/zinc/11/91/75/160119175.db2.gz ABKXZUBVSUETMQ-NTZNESFSSA-N -1 0 324.406 0.936 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cn2c(n1)CCC2 ZINC000408497862 160119853 /nfs/dbraw/zinc/11/98/53/160119853.db2.gz KBPRSFIWNKIBMU-SNVBAGLBSA-N -1 0 313.379 0.458 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000408502904 160120237 /nfs/dbraw/zinc/12/02/37/160120237.db2.gz RNJDDCPGHLONGA-VHSXEESVSA-N -1 0 301.368 0.430 10 0 DCAERM CCc1csc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)n1 ZINC000408504135 160120390 /nfs/dbraw/zinc/12/03/90/160120390.db2.gz WOZTYVRZDPYHRL-OPRDCNLKSA-N -1 0 316.404 0.935 10 0 DCAERM CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408505927 160120811 /nfs/dbraw/zinc/12/08/11/160120811.db2.gz ZCVHWNCFQUUIFA-QWRGUYRKSA-N -1 0 315.395 0.739 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@](CC)(C(=O)[O-])C2)c1 ZINC000092890165 286937346 /nfs/dbraw/zinc/93/73/46/286937346.db2.gz ILFDMILSMZZKFR-LBPRGKRZSA-N -1 0 301.368 0.778 10 0 DCAERM C[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCS1(=O)=O ZINC000151600318 287034550 /nfs/dbraw/zinc/03/45/50/287034550.db2.gz FHQDXGBGNFZWMR-LLVKDONJSA-N -1 0 322.390 0.592 10 0 DCAERM COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O ZINC000037417632 415191074 /nfs/dbraw/zinc/19/10/74/415191074.db2.gz DLTWAXXTHYVWNF-LHLIQPBNSA-N -1 0 323.754 0.461 10 0 DCAERM CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)OC ZINC000274190768 415334376 /nfs/dbraw/zinc/33/43/76/415334376.db2.gz RESLAOSFDDKGQP-ZCFIWIBFSA-N -1 0 322.364 0.160 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)C1 ZINC000092436431 415539191 /nfs/dbraw/zinc/53/91/91/415539191.db2.gz HXXVKPQVMWYOHN-MRVPVSSYSA-N -1 0 318.317 0.912 10 0 DCAERM O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(F)cc(Cl)c1[O-] ZINC000161596447 416013217 /nfs/dbraw/zinc/01/32/17/416013217.db2.gz CNCDJZVWGRSGBC-MRVPVSSYSA-N -1 0 300.673 0.720 10 0 DCAERM CC(C)n1ncc2cc(C(=O)NC3(c4nnn[n-]4)CC3)cnc21 ZINC000357063734 416029266 /nfs/dbraw/zinc/02/92/66/416029266.db2.gz YYYQRKNCIZKYIV-UHFFFAOYSA-N -1 0 312.337 0.944 10 0 DCAERM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccn2)cn1C ZINC000357096967 416034418 /nfs/dbraw/zinc/03/44/18/416034418.db2.gz ZXUZJISDSGPNSK-UHFFFAOYSA-N -1 0 308.363 0.889 10 0 DCAERM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000175556069 416109719 /nfs/dbraw/zinc/10/97/19/416109719.db2.gz JRHIEFOEFPQRID-ONGXEEELSA-N -1 0 314.345 0.697 10 0 DCAERM CC(C)(C)c1nnsc1C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000191957885 416293088 /nfs/dbraw/zinc/29/30/88/416293088.db2.gz JSFJZMRPJVONIU-UHFFFAOYSA-N -1 0 310.383 0.610 10 0 DCAERM Cn1c2ccccc2n(CC(=O)N2CCC[C@]2(C)C(=O)[O-])c1=O ZINC000263375369 416337939 /nfs/dbraw/zinc/33/79/39/416337939.db2.gz AQJXGIAEVGSJME-MRXNPFEDSA-N -1 0 317.345 0.806 10 0 DCAERM COc1ccc2c(c1)OC[C@H]2CC(=O)NC1(c2nnn[n-]2)CC1 ZINC000558715447 416792399 /nfs/dbraw/zinc/79/23/99/416792399.db2.gz UKOSNODMCIWLFJ-SECBINFHSA-N -1 0 315.333 0.880 10 0 DCAERM CC(=O)c1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)ccc1C ZINC000448113232 417060132 /nfs/dbraw/zinc/06/01/32/417060132.db2.gz JPUZDKOXZOFZGN-UHFFFAOYSA-N -1 0 322.346 0.972 10 0 DCAERM NS(=O)(=O)N1CCCOC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616648474 417088257 /nfs/dbraw/zinc/08/82/57/417088257.db2.gz NWZUUHKUNCOMRF-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM NS(=O)(=O)N1CCCO[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616659528 417089941 /nfs/dbraw/zinc/08/99/41/417089941.db2.gz OOJZXPFKPRAZLH-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM O=C([O-])[C@H]1Cn2cnnc2CN1C(=O)COCc1ccccc1 ZINC000643854722 417401018 /nfs/dbraw/zinc/40/10/18/417401018.db2.gz INOIYTBZBZBAGF-GFCCVEGCSA-N -1 0 316.317 0.290 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000530148935 417543574 /nfs/dbraw/zinc/54/35/74/417543574.db2.gz DPEXGZVGGBGZEF-ZYHUDNBSSA-N -1 0 306.384 0.281 10 0 DCAERM CC(=O)N1CCN(C(=O)CCN=c2[n-]c(C3CCC3)no2)CC1 ZINC000576226266 417592147 /nfs/dbraw/zinc/59/21/47/417592147.db2.gz LSNKZZIHYFUTGB-UHFFFAOYSA-N -1 0 321.381 0.252 10 0 DCAERM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cn(C)nn3)cc21 ZINC000577155002 417666105 /nfs/dbraw/zinc/66/61/05/417666105.db2.gz OLAASSFRQMCALM-UHFFFAOYSA-N -1 0 321.362 0.525 10 0 DCAERM CN(C(=O)N[C@@H](C(=O)[O-])C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000399137229 271218537 /nfs/dbraw/zinc/21/85/37/271218537.db2.gz VKIJNUCLPMXZKL-VHSXEESVSA-N -1 0 304.368 0.068 10 0 DCAERM CCCc1nc(=NC(=O)[C@](C)(O)Cn2ccccc2=O)s[n-]1 ZINC000439559183 271642200 /nfs/dbraw/zinc/64/22/00/271642200.db2.gz BTFZYYIANZTPRV-CQSZACIVSA-N -1 0 322.390 0.464 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2F)c[nH]1 ZINC000547544090 288056302 /nfs/dbraw/zinc/05/63/02/288056302.db2.gz WHEDIZPIGZPGFO-NSHDSACASA-N -1 0 313.310 0.961 10 0 DCAERM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262207279 279341070 /nfs/dbraw/zinc/34/10/70/279341070.db2.gz STFDWDAOJDJZQJ-VWYCJHECSA-N -1 0 314.407 0.866 10 0 DCAERM CCCSC[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-] ZINC000548248033 288124976 /nfs/dbraw/zinc/12/49/76/288124976.db2.gz HDPLKXDTWUUWIZ-NXEZZACHSA-N -1 0 310.441 0.902 10 0 DCAERM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)O1 ZINC000263558719 289026247 /nfs/dbraw/zinc/02/62/47/289026247.db2.gz PWPXCAZEPDZRQP-CHWFTXMASA-N -1 0 312.366 0.095 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000214877710 294595873 /nfs/dbraw/zinc/59/58/73/294595873.db2.gz BUDPCVLDZLKIJA-YUMQZZPRSA-N -1 0 319.301 0.833 10 0 DCAERM C[C@H]1CN2CCCC[C@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC000261754348 300311145 /nfs/dbraw/zinc/31/11/45/300311145.db2.gz NEPXLFIXMRYILJ-RYUDHWBXSA-N -1 0 304.412 0.044 10 0 DCAERM NC(=O)CSCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262474793 303254835 /nfs/dbraw/zinc/25/48/35/303254835.db2.gz XEGIAWVFGGZBOA-GUBZILKMSA-N -1 0 300.380 0.449 10 0 DCAERM CC(=O)NC1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000191496318 519649304 /nfs/dbraw/zinc/64/93/04/519649304.db2.gz MAXXALPZQNRJPO-UHFFFAOYSA-N -1 0 300.318 0.538 10 0 DCAERM CCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccn2)C1 ZINC000364193710 521559160 /nfs/dbraw/zinc/55/91/60/521559160.db2.gz FCXJWAXCFWCTRN-LLVKDONJSA-N -1 0 305.334 0.758 10 0 DCAERM CC[C@H](C)[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000236945054 521845242 /nfs/dbraw/zinc/84/52/42/521845242.db2.gz JNSUXPRSLIYDPY-GXFFZTMASA-N -1 0 317.349 0.956 10 0 DCAERM Cc1ccc(S([O-])=CC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000156990896 526092248 /nfs/dbraw/zinc/09/22/48/526092248.db2.gz KEFZWLLIRIBDAM-GTJPDFRWSA-N -1 0 308.403 0.827 10 0 DCAERM O=C([O-])[C@H]1CN(S(=O)(=O)CC2CC2)C[C@@H]1C(F)(F)F ZINC000365105484 526331895 /nfs/dbraw/zinc/33/18/95/526331895.db2.gz PHZOAIXWLAJWPP-YUMQZZPRSA-N -1 0 301.286 0.921 10 0 DCAERM CC(C)N1C(=O)C[C@@H](NC(=O)c2c([O-])cc(F)cc2F)C1=O ZINC000177570928 545891167 /nfs/dbraw/zinc/89/11/67/545891167.db2.gz YQBYUXBLFKPQQZ-SECBINFHSA-N -1 0 312.272 0.936 10 0 DCAERM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000332948633 546066686 /nfs/dbraw/zinc/06/66/86/546066686.db2.gz CJGGZLZIQYUOHW-SFYZADRCSA-N -1 0 313.383 0.074 10 0 DCAERM [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004533517 571686251 /nfs/dbraw/zinc/68/62/51/571686251.db2.gz XMAUFHMAAVTODF-CHWSQXEVSA-N -1 0 302.334 0.092 10 0 endogenous,in-man DCAERM CN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000040673347 657756648 /nfs/dbraw/zinc/75/66/48/657756648.db2.gz CICQREWWYMSQAR-VIFPVBQESA-N -1 0 304.393 0.819 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CC(=O)[O-] ZINC000252432021 658334665 /nfs/dbraw/zinc/33/46/65/658334665.db2.gz UOXZQGDPVGTTBU-NXEZZACHSA-N -1 0 306.384 0.170 10 0 DCAERM Cc1cc(S(=O)(=O)N2CC(CO)C2)cc(C(=O)[O-])c1F ZINC000227254161 664530790 /nfs/dbraw/zinc/53/07/90/664530790.db2.gz UFWIWOGTIQTHMT-UHFFFAOYSA-N -1 0 303.311 0.445 10 0 DCAERM CCOCCO[N-]C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000186892632 666607192 /nfs/dbraw/zinc/60/71/92/666607192.db2.gz UFPVNUFYSUGKHD-UHFFFAOYSA-N -1 0 321.421 0.889 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCCc2ccns2)C1 ZINC000709866904 667445960 /nfs/dbraw/zinc/44/59/60/667445960.db2.gz ABZLVQRCYWWDTR-SECBINFHSA-N -1 0 319.408 0.317 10 0 DCAERM CC(C)(C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)S(C)(=O)=O ZINC000711648282 667522256 /nfs/dbraw/zinc/52/22/56/667522256.db2.gz KWWMAOQJZYBQNY-TVQRCGJNSA-N -1 0 303.380 0.665 10 0 DCAERM CCCS(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000739195245 667695484 /nfs/dbraw/zinc/69/54/84/667695484.db2.gz GNTDRAGYVNHNFV-UHFFFAOYSA-N -1 0 301.368 0.677 10 0 DCAERM COC(=O)c1ccc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])cc1 ZINC000128917036 669315580 /nfs/dbraw/zinc/31/55/80/669315580.db2.gz XQSYRTZZBQQCQI-VIFPVBQESA-N -1 0 315.347 0.862 10 0 DCAERM Cc1cc(C(=O)N[N-]C(=O)c2nc3nccc(C)n3n2)c(C)o1 ZINC000042137563 669826697 /nfs/dbraw/zinc/82/66/97/669826697.db2.gz HMOQOCYBYZBVTM-UHFFFAOYSA-N -1 0 314.305 0.717 10 0 DCAERM COc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000715249167 670206714 /nfs/dbraw/zinc/20/67/14/670206714.db2.gz NFLDPAUIYQAING-CBAPKCEASA-N -1 0 303.311 0.833 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC000715270661 670206954 /nfs/dbraw/zinc/20/69/54/670206954.db2.gz NTTSXPHOVOFTCG-IWSPIJDZSA-N -1 0 312.338 0.519 10 0 DCAERM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000720363946 685313405 /nfs/dbraw/zinc/31/34/05/685313405.db2.gz TVBNGFHFDRDSOV-ACZMJKKPSA-N -1 0 317.285 0.141 10 0 DCAERM Cn1cnc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)c1Cl ZINC000092876890 685109492 /nfs/dbraw/zinc/10/94/92/685109492.db2.gz BCKNWAVTROXSSN-UHFFFAOYSA-N -1 0 315.742 0.368 10 0 DCAERM Cc1ccc(C)c(OCC(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000261960745 1157565763 /nfs/dbraw/zinc/56/57/63/1157565763.db2.gz XRVPTFOEHXAKRY-UHFFFAOYSA-N -1 0 318.333 0.675 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000261596502 1184453231 /nfs/dbraw/zinc/45/32/31/1184453231.db2.gz AHEFNMSEEGZBDV-HTQZYQBOSA-N -1 0 321.255 0.602 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000262202512 1185164147 /nfs/dbraw/zinc/16/41/47/1185164147.db2.gz WJWQONBZNYOTNL-STQMWFEESA-N -1 0 305.330 0.865 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000262220480 1185164202 /nfs/dbraw/zinc/16/42/02/1185164202.db2.gz ZRMYDYBLXPVRPZ-ONGXEEELSA-N -1 0 319.379 0.044 10 0 DCAERM CCOc1ccccc1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262314219 1185165506 /nfs/dbraw/zinc/16/55/06/1185165506.db2.gz QCYQNPCWMNVAAG-UHFFFAOYSA-N -1 0 304.306 0.691 10 0 DCAERM CCCCSCCC(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262769544 1185172791 /nfs/dbraw/zinc/17/27/91/1185172791.db2.gz GZFYUQZYIDBINC-UHFFFAOYSA-N -1 0 300.384 0.902 10 0 DCAERM CO[C@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1)C(=O)[O-] ZINC000262937153 1185174374 /nfs/dbraw/zinc/17/43/74/1185174374.db2.gz YTDMWVFMUNAPHK-ZIAGYGMSSA-N -1 0 322.361 0.778 10 0 DCAERM CCCC[C@H](NS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000263457613 1185177918 /nfs/dbraw/zinc/17/79/18/1185177918.db2.gz CPAKMFGZFYKRCI-GARJFASQSA-N -1 0 321.395 0.891 10 0 DCAERM CCCC[C@H](NS(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC)C(=O)[O-] ZINC000263457616 1185178637 /nfs/dbraw/zinc/17/86/37/1185178637.db2.gz CPAKMFGZFYKRCI-VWYCJHECSA-N -1 0 321.395 0.891 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-] ZINC000400426773 772692033 /nfs/dbraw/zinc/69/20/33/772692033.db2.gz FRYXOSCHTVNCMW-VHSXEESVSA-N -1 0 309.384 0.748 10 0 DCAERM CN(CC1=CCCOC1)S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000696924988 804066770 /nfs/dbraw/zinc/06/67/70/804066770.db2.gz PETXCFLENYJCIT-VXGBXAGGSA-N -1 0 303.380 0.848 10 0 DCAERM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H]1CCCOC1 ZINC000689184293 954640713 /nfs/dbraw/zinc/64/07/13/954640713.db2.gz LGSOOWBMRLARQK-VWYCJHECSA-N -1 0 306.384 0.185 10 0 DCAERM CO[C@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1(C)C ZINC000689244990 954650372 /nfs/dbraw/zinc/65/03/72/954650372.db2.gz WWTYUERBBJULJK-AEJSXWLSSA-N -1 0 306.384 0.183 10 0 DCAERM CC[C@H](CNC(=O)NC[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000694083713 954772369 /nfs/dbraw/zinc/77/23/69/954772369.db2.gz XKFYXYUATIFYHC-NXEZZACHSA-N -1 0 306.384 0.364 10 0 DCAERM C[C@@H]1C[C@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C)O1 ZINC000686346099 976104432 /nfs/dbraw/zinc/10/44/32/976104432.db2.gz AXFDMZXUMLLHBL-BWZBUEFSSA-N -1 0 303.340 0.200 10 0 DCAERM COCC(COC)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000688585810 976187181 /nfs/dbraw/zinc/18/71/81/976187181.db2.gz NPCKQASHENTDCQ-GFCCVEGCSA-N -1 0 309.384 0.164 10 0 DCAERM C[C@H](CCNC(=O)NC[C@@H](CC(=O)[O-])C1CC1)[S@](C)=O ZINC000690446924 976296950 /nfs/dbraw/zinc/29/69/50/976296950.db2.gz KVHWEONXSVDIPY-MTTWPYTGSA-N -1 0 304.412 0.944 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000691337337 976353386 /nfs/dbraw/zinc/35/33/86/976353386.db2.gz SSWXXJVRVKHKGE-ZJUUUORDSA-N -1 0 301.320 0.824 10 0 DCAERM CC(=O)N[C@@H](C[S@](=O)Cc1sc(C)nc1C)C(=O)[O-] ZINC000691894483 976388188 /nfs/dbraw/zinc/38/81/88/976388188.db2.gz CXEPRWZDPFINCL-UGZDLDLSSA-N -1 0 304.393 0.598 10 0 DCAERM O=C([O-])CCN(Cc1ccccc1)C(=O)CN1C(=O)CNC1=O ZINC000692453586 976488133 /nfs/dbraw/zinc/48/81/33/976488133.db2.gz BNKHQZGKRVTBNZ-UHFFFAOYSA-N -1 0 319.317 0.042 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)NCCc1ccoc1 ZINC000692787354 976546508 /nfs/dbraw/zinc/54/65/08/976546508.db2.gz VLDFAIRMXYYEDA-UHFFFAOYSA-N -1 0 302.333 0.955 10 0 DCAERM CS(=O)(=O)CCCCNC(=O)c1ccoc1CC(=O)[O-] ZINC000692827669 976549434 /nfs/dbraw/zinc/54/94/34/976549434.db2.gz QKWTVQJFGRKTBJ-UHFFFAOYSA-N -1 0 303.336 0.461 10 0 DCAERM CC(=O)N[C@@H](CSCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000693943119 976660799 /nfs/dbraw/zinc/66/07/99/976660799.db2.gz XDHDWVAQNMVLSQ-VIFPVBQESA-N -1 0 309.409 0.134 10 0 DCAERM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694170305 976673358 /nfs/dbraw/zinc/67/33/58/976673358.db2.gz AIRVSCBOIBGNJA-MRVPVSSYSA-N -1 0 302.308 0.006 10 0 DCAERM Cc1nnc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])co2)[nH]1 ZINC000694171923 976674626 /nfs/dbraw/zinc/67/46/26/976674626.db2.gz FFABESILSCVDRJ-RXMQYKEDSA-N -1 0 300.296 0.444 10 0 DCAERM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211080 976682252 /nfs/dbraw/zinc/68/22/52/976682252.db2.gz HHPWSIVSMBVGST-SVRRBLITSA-N -1 0 309.365 0.369 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@]1(C)CO ZINC000694666631 976708242 /nfs/dbraw/zinc/70/82/42/976708242.db2.gz KSXHEWOBGUDGEU-QPUJVOFHSA-N -1 0 302.352 0.352 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@@]1(C)CO ZINC000694678872 976709523 /nfs/dbraw/zinc/70/95/23/976709523.db2.gz BUKCEPKJUNBYBG-UFBFGSQYSA-N -1 0 303.336 0.617 10 0 DCAERM CCC(CC)(CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000165033285 282119598 /nfs/dbraw/zinc/11/95/98/282119598.db2.gz FTKHTVNJSUWFTL-QWRGUYRKSA-N -1 0 322.427 0.821 10 0 DCAERM CN(c1ncnc2cc(C(=O)[O-])ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000004226316 181086497 /nfs/dbraw/zinc/08/64/97/181086497.db2.gz DYIOVBBKKGKDRD-JTQLQIEISA-N -1 0 321.358 0.951 10 0 DCAERM COCc1cc2nn(CC(=O)[O-])c(=O)n2c(-c2ccncc2)n1 ZINC000073695093 191343194 /nfs/dbraw/zinc/34/31/94/191343194.db2.gz FJSCERPBWNGASS-UHFFFAOYSA-N -1 0 315.289 0.184 10 0 DCAERM O=C([O-])CN(Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000037594617 304066676 /nfs/dbraw/zinc/06/66/76/304066676.db2.gz IZZBDEXCGNQQQF-QMMMGPOBSA-N -1 0 323.321 0.352 10 0 DCAERM COCCCN(CCOC)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097089440 545728757 /nfs/dbraw/zinc/72/87/57/545728757.db2.gz RXAFJDVCPGHHPZ-NWDGAFQWSA-N -1 0 302.371 0.934 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164873335 291248203 /nfs/dbraw/zinc/24/82/03/291248203.db2.gz OKFAYOFACOEYBZ-BXKDBHETSA-N -1 0 307.368 0.502 10 0 DCAERM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263209767 291382685 /nfs/dbraw/zinc/38/26/85/291382685.db2.gz YVSAJHVRZHOJAK-DBIOUOCHSA-N -1 0 319.379 0.310 10 0 DCAERM C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)[C@H](C)C(=O)[O-] ZINC000263465573 203470788 /nfs/dbraw/zinc/47/07/88/203470788.db2.gz QWZUSVNAJCELCQ-VHSXEESVSA-N -1 0 303.322 0.566 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)s2)C1 ZINC000021807864 182292103 /nfs/dbraw/zinc/29/21/03/182292103.db2.gz YSMWQPYHNIFJLP-IUCAKERBSA-N -1 0 305.377 0.919 10 0 DCAERM CC(C)c1nnc(SCC(=O)[O-])n1CCS(C)(=O)=O ZINC000037750877 182922867 /nfs/dbraw/zinc/92/28/67/182922867.db2.gz VAKXGRWGKOCQIY-UHFFFAOYSA-N -1 0 307.397 0.623 10 0 DCAERM C[C@@H]1CCCCN1S(=O)(=O)N1CCSC[C@H]1C(=O)[O-] ZINC000252192993 296317043 /nfs/dbraw/zinc/31/70/43/296317043.db2.gz RXGOUCAWOIDNQI-ZJUUUORDSA-N -1 0 308.425 0.608 10 0 DCAERM C[C@H](C(=O)c1ccc2c(c1)NC(=O)CO2)N(C)CCC(=O)[O-] ZINC000062454818 184237538 /nfs/dbraw/zinc/23/75/38/184237538.db2.gz OPKGDUZBHSMUDA-SECBINFHSA-N -1 0 306.318 0.995 10 0 DCAERM CN(c1ncnc2cc(C(=O)[O-])ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000001293218 395680759 /nfs/dbraw/zinc/68/07/59/395680759.db2.gz DYIOVBBKKGKDRD-SNVBAGLBSA-N -1 0 321.358 0.951 10 0 DCAERM COc1ccc(C)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000036967176 395725044 /nfs/dbraw/zinc/72/50/44/395725044.db2.gz ZXWNXQYCNXJADN-KWQFWETISA-N -1 0 303.336 0.116 10 0 DCAERM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000037373339 395726337 /nfs/dbraw/zinc/72/63/37/395726337.db2.gz BEDMMPMFTUOBNM-SCSAIBSYSA-N -1 0 312.756 0.008 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000037377277 395726657 /nfs/dbraw/zinc/72/66/57/395726657.db2.gz MAKJQLVBBXUYIL-WCBMZHEXSA-N -1 0 321.301 0.827 10 0 DCAERM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000037405970 395726677 /nfs/dbraw/zinc/72/66/77/395726677.db2.gz QFDDNCDNLSLDNR-MRVPVSSYSA-N -1 0 324.717 0.086 10 0 DCAERM Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000037419034 395727044 /nfs/dbraw/zinc/72/70/44/395727044.db2.gz MXFHUELOABDHRK-VHSXEESVSA-N -1 0 319.766 0.857 10 0 DCAERM CCn1cnc(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000092890253 395734570 /nfs/dbraw/zinc/73/45/70/395734570.db2.gz XJCVWWJKCGHURV-NXEZZACHSA-N -1 0 301.368 0.682 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043511505 395753549 /nfs/dbraw/zinc/75/35/49/395753549.db2.gz PYFOSIRPSGAOMP-LLVKDONJSA-N -1 0 319.408 0.276 10 0 DCAERM O=C([O-])c1ccc(CNc2c(=O)c(=O)c2N2CCOCC2)cc1 ZINC000100061185 395762668 /nfs/dbraw/zinc/76/26/68/395762668.db2.gz SRKZVDIDXRPNCY-UHFFFAOYSA-N -1 0 316.313 0.430 10 0 DCAERM CCc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 ZINC000048440786 395815764 /nfs/dbraw/zinc/81/57/64/395815764.db2.gz OUEBGZNZIBWGKE-QMMMGPOBSA-N -1 0 320.392 0.308 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000221596202 395851423 /nfs/dbraw/zinc/85/14/23/395851423.db2.gz LIYRITIFDRIQNK-QWRGUYRKSA-N -1 0 317.338 0.997 10 0 DCAERM Cc1ncc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)s1 ZINC000235936461 395893731 /nfs/dbraw/zinc/89/37/31/395893731.db2.gz XWPLZTPJIUQMNB-VIFPVBQESA-N -1 0 308.406 0.690 10 0 DCAERM COCC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000052785867 395869456 /nfs/dbraw/zinc/86/94/56/395869456.db2.gz UEBOJZACWFXQAF-JTQLQIEISA-N -1 0 309.290 0.733 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)NCC1(CC(=O)[O-])CCC1 ZINC000227865569 395869800 /nfs/dbraw/zinc/86/98/00/395869800.db2.gz SHGDXIBMPLULPF-UHFFFAOYSA-N -1 0 321.786 0.997 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC000227865996 395869852 /nfs/dbraw/zinc/86/98/52/395869852.db2.gz LXVBXUXXJOPHHM-LURJTMIESA-N -1 0 311.772 0.222 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000227866966 395869902 /nfs/dbraw/zinc/86/99/02/395869902.db2.gz GWMDZQGBGHCGDX-LLVKDONJSA-N -1 0 321.786 0.949 10 0 DCAERM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1c(Cl)cnn1C ZINC000227865482 395869945 /nfs/dbraw/zinc/86/99/45/395869945.db2.gz BBIMZSHFYYQRRG-QMMMGPOBSA-N -1 0 309.775 0.851 10 0 DCAERM CN(C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000228120351 395871408 /nfs/dbraw/zinc/87/14/08/395871408.db2.gz MARCSFILTYJASG-OPQQBVKSSA-N -1 0 318.395 0.458 10 0 DCAERM O=c1[n-]cnc(N2CCCCO2)c1I ZINC000166827714 396088814 /nfs/dbraw/zinc/08/88/14/396088814.db2.gz LFCIAWKGTISDIB-UHFFFAOYSA-N -1 0 307.091 0.906 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000262098899 396098782 /nfs/dbraw/zinc/09/87/82/396098782.db2.gz LZNXBGCFXPQRFO-KKZNHRDASA-N -1 0 308.359 0.858 10 0 DCAERM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)c2ccccc2O1 ZINC000070415447 396101156 /nfs/dbraw/zinc/10/11/56/396101156.db2.gz XSCRVJQCZNTRPT-JTQLQIEISA-N -1 0 309.303 0.451 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(=O)[O-])C2)cn1C ZINC000070556163 396102799 /nfs/dbraw/zinc/10/27/99/396102799.db2.gz KXVLMRKCMCITJB-NXEZZACHSA-N -1 0 301.368 0.650 10 0 DCAERM CC(C)NC(=O)CCCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262204864 396110228 /nfs/dbraw/zinc/11/02/28/396110228.db2.gz JYSQZYYERUZKRT-MNOVXSKESA-N -1 0 300.355 0.382 10 0 DCAERM Cn1cc([C@@H]2CN(C(=O)c3cc(C(=O)[O-])co3)CCO2)cn1 ZINC000262773200 396180628 /nfs/dbraw/zinc/18/06/28/396180628.db2.gz LPGVHGHMRUECFL-LBPRGKRZSA-N -1 0 305.290 0.925 10 0 DCAERM Cn1cc([C@H]2CN(C(=O)c3cc(C(=O)[O-])co3)CCO2)cn1 ZINC000262773197 396180864 /nfs/dbraw/zinc/18/08/64/396180864.db2.gz LPGVHGHMRUECFL-GFCCVEGCSA-N -1 0 305.290 0.925 10 0 DCAERM COc1cccc(C(=O)NCC(=O)N[C@H](C)CCC(=O)[O-])c1 ZINC000262967331 396195704 /nfs/dbraw/zinc/19/57/04/396195704.db2.gz PEPHTSFODCNCAX-SNVBAGLBSA-N -1 0 308.334 0.795 10 0 DCAERM C[C@H]1CCCN(C(=O)Cn2cnc3c2ncnc3N)[C@H]1C(=O)[O-] ZINC000263026277 396198338 /nfs/dbraw/zinc/19/83/38/396198338.db2.gz GFITWMNXNYMVSH-GZMMTYOYSA-N -1 0 318.337 0.120 10 0 DCAERM COCCS(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F ZINC000302682233 396722609 /nfs/dbraw/zinc/72/26/09/396722609.db2.gz QJKMIGLUHWSCLG-SSDOTTSWSA-N -1 0 307.290 0.596 10 0 DCAERM C[S@@](=O)C1(CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000596655495 396811158 /nfs/dbraw/zinc/81/11/58/396811158.db2.gz WEAFCZAVYAABOJ-CFMSYZGJSA-N -1 0 302.396 0.698 10 0 DCAERM CN(CCn1cccn1)C(=O)[C@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000630655374 397071364 /nfs/dbraw/zinc/07/13/64/397071364.db2.gz DHSJRCAMMJTAGY-CHWSQXEVSA-N -1 0 306.366 0.422 10 0 DCAERM Cc1cncc(C=CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000378199892 397210013 /nfs/dbraw/zinc/21/00/13/397210013.db2.gz JRDUJLLAGVNKSN-JDGPPOGSSA-N -1 0 300.322 0.516 10 0 DCAERM CC[C@H](CCC(=O)[O-])NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000391671286 397306331 /nfs/dbraw/zinc/30/63/31/397306331.db2.gz HELUNNXNZGIVEO-GARJFASQSA-N -1 0 308.400 0.573 10 0 DCAERM CC(C)C[C@@H](CNC(=O)N[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000094706260 158122406 /nfs/dbraw/zinc/12/24/06/158122406.db2.gz XETDVRLBEKUUFK-ZJUUUORDSA-N -1 0 308.400 0.466 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000261961898 158758917 /nfs/dbraw/zinc/75/89/17/158758917.db2.gz XUTMEQOSVOBTQC-XJKSGUPXSA-N -1 0 321.329 0.776 10 0 DCAERM O=C([O-])CC1(NC(=O)c2cnc3ccccn3c2=O)CCC1 ZINC000262070175 158769317 /nfs/dbraw/zinc/76/93/17/158769317.db2.gz FZMKRASEQBIQGX-UHFFFAOYSA-N -1 0 301.302 0.822 10 0 DCAERM CC(C)(C)OCC[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000262188271 158783618 /nfs/dbraw/zinc/78/36/18/158783618.db2.gz NEHVLWAXZRYKEC-JTQLQIEISA-N -1 0 323.411 0.586 10 0 DCAERM CO[C@H](CNC(=O)CC[C@H]1Cc2ccccc2NC1=O)C(=O)[O-] ZINC000262848190 158844708 /nfs/dbraw/zinc/84/47/08/158844708.db2.gz FQVOENFPMPPKKO-WCQYABFASA-N -1 0 320.345 0.793 10 0 DCAERM CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408126337 160042716 /nfs/dbraw/zinc/04/27/16/160042716.db2.gz MYYOJPKIJWFKAF-QWRGUYRKSA-N -1 0 301.368 0.430 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408146477 160047817 /nfs/dbraw/zinc/04/78/17/160047817.db2.gz PGYQDHHXYXWBCB-GHMZBOCLSA-N -1 0 315.395 0.739 10 0 DCAERM CC(C)[C@@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408259768 160071359 /nfs/dbraw/zinc/07/13/59/160071359.db2.gz QBMCEUHEUVPWPS-AGIUHOORSA-N -1 0 319.423 0.920 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)CCCO1 ZINC000408276959 160074533 /nfs/dbraw/zinc/07/45/33/160074533.db2.gz MXNOWCHUOGTLIK-CYBMUJFWSA-N -1 0 313.331 0.789 10 0 DCAERM CC(C)[C@H]1CCO[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408446024 160109361 /nfs/dbraw/zinc/10/93/61/160109361.db2.gz FWEMSIZLYZMNKT-IJLUTSLNSA-N -1 0 305.396 0.673 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000408453377 160111593 /nfs/dbraw/zinc/11/15/93/160111593.db2.gz RLYVLOKOFSBRAM-VIFPVBQESA-N -1 0 323.378 0.062 10 0 DCAERM CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)C1COC1 ZINC000408475163 160116231 /nfs/dbraw/zinc/11/62/31/160116231.db2.gz CAXKTECXMSZXAS-PWSUYJOCSA-N -1 0 305.396 0.817 10 0 DCAERM O=C([N-]S(=O)(=O)CC(F)(F)F)[C@H]1CCc2n[nH]cc2C1 ZINC000408489522 160119192 /nfs/dbraw/zinc/11/91/92/160119192.db2.gz TWFMBFIEXVJPGK-LURJTMIESA-N -1 0 311.285 0.523 10 0 DCAERM O=C(CC[C@H]1CCC(=O)N1)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000408504656 160120530 /nfs/dbraw/zinc/12/05/30/160120530.db2.gz XMWDJGUQYKDCLX-KXNHARMFSA-N -1 0 314.407 0.680 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@H](C)[C@H](C(=O)[O-])C(C)C)c1 ZINC000399718699 287231145 /nfs/dbraw/zinc/23/11/45/287231145.db2.gz HLRYZKICUBBEMU-MWLCHTKSSA-N -1 0 303.384 0.927 10 0 DCAERM COc1cccc([C@H]2C[C@H]2C(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000080974820 415478753 /nfs/dbraw/zinc/47/87/53/415478753.db2.gz PJNYNPDQEFWBDI-CHWSQXEVSA-N -1 0 316.361 0.959 10 0 DCAERM O=C(CCNC(=O)c1ccc(F)cc1)NC1(c2nnn[n-]2)CC1 ZINC000357048301 416025614 /nfs/dbraw/zinc/02/56/14/416025614.db2.gz GMQSFCXKRKOSIN-UHFFFAOYSA-N -1 0 318.312 0.264 10 0 DCAERM O=C(CN1C(=O)CCc2ccccc21)NC1(c2nnn[n-]2)CC1 ZINC000357067050 416028096 /nfs/dbraw/zinc/02/80/96/416028096.db2.gz CQQZHNYAUPMSON-UHFFFAOYSA-N -1 0 312.333 0.284 10 0 DCAERM CO[C@H]1CCC[C@H](CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000359374035 416344064 /nfs/dbraw/zinc/34/40/64/416344064.db2.gz VVFFVSADWYFBEG-IUCAKERBSA-N -1 0 316.383 0.742 10 0 DCAERM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1n[nH]c(=O)[n-]1 ZINC000533088529 416472414 /nfs/dbraw/zinc/47/24/14/416472414.db2.gz HHHFATOZWWZCTM-UHFFFAOYSA-N -1 0 304.232 0.535 10 0 DCAERM COc1cc(NC(=O)c2cnc([O-])n(C)c2=O)cc(OC)c1 ZINC000434868258 416501429 /nfs/dbraw/zinc/50/14/29/416501429.db2.gz IEDLFPDSFZDNBB-UHFFFAOYSA-N -1 0 305.290 0.755 10 0 DCAERM CCOC(=O)C(C)(C)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000558495329 416772513 /nfs/dbraw/zinc/77/25/13/416772513.db2.gz NRNZKGJGDNHKJO-UHFFFAOYSA-N -1 0 318.355 0.126 10 0 DCAERM CC(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)[C@H](C)C1 ZINC000632107433 416908971 /nfs/dbraw/zinc/90/89/71/416908971.db2.gz XMVDQJOUHNJFDY-SECBINFHSA-N -1 0 316.354 0.773 10 0 DCAERM CO[C@@H](C)c1nsc(=NCCC(=O)N2CCOCC2)[n-]1 ZINC000380046689 417084805 /nfs/dbraw/zinc/08/48/05/417084805.db2.gz BCRMHCFHBFXCEC-VIFPVBQESA-N -1 0 300.384 0.328 10 0 DCAERM NS(=O)(=O)N1CCCOC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616648534 417086467 /nfs/dbraw/zinc/08/64/67/417086467.db2.gz NWZUUHKUNCOMRF-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM NS(=O)(=O)N1CCO[C@@H](c2ccc(C(=O)[O-])cc2)CC1 ZINC000616664821 417089569 /nfs/dbraw/zinc/08/95/69/417089569.db2.gz AEPKBTYCACVMFP-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NCC[C@]2(O)CCOC2)cs1 ZINC000403102543 417116094 /nfs/dbraw/zinc/11/60/94/417116094.db2.gz DFNDPRFJGAQBJO-NSHDSACASA-N -1 0 321.376 0.266 10 0 DCAERM O=C(N=c1cc([C@H]2CCCO2)[nH][nH]1)N=c1[n-]nc2ccccn21 ZINC000525831825 417153912 /nfs/dbraw/zinc/15/39/12/417153912.db2.gz DZIPZTROUOMFET-SNVBAGLBSA-N -1 0 313.321 0.792 10 0 DCAERM CCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)[nH]1 ZINC000451024549 417294910 /nfs/dbraw/zinc/29/49/10/417294910.db2.gz IDOHTPVVPMYNKH-UHFFFAOYSA-N -1 0 310.335 0.955 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000570770712 417388733 /nfs/dbraw/zinc/38/87/33/417388733.db2.gz URPJAYWLPOQFRI-SNVBAGLBSA-N -1 0 312.333 0.358 10 0 DCAERM NC(=O)COc1cccc2c1CCCN2Cc1n[nH]c(=O)[n-]1 ZINC000451664298 417380626 /nfs/dbraw/zinc/38/06/26/417380626.db2.gz OITABCSGCZLMQL-UHFFFAOYSA-N -1 0 303.322 0.327 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000530148933 417544070 /nfs/dbraw/zinc/54/40/70/417544070.db2.gz DPEXGZVGGBGZEF-JQWIXIFHSA-N -1 0 306.384 0.281 10 0 DCAERM O=C([O-])C1(CNC(=O)NC[C@H]2CCCOC2)CCOCC1 ZINC000166147064 545878465 /nfs/dbraw/zinc/87/84/65/545878465.db2.gz RXMTXDKCXZSZEH-LLVKDONJSA-N -1 0 300.355 0.594 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1 ZINC000629307066 417776808 /nfs/dbraw/zinc/77/68/08/417776808.db2.gz QEQXEAPCTJJXDR-RKDXNWHRSA-N -1 0 312.338 0.757 10 0 DCAERM Cc1noc(C)c1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000663223939 418002783 /nfs/dbraw/zinc/00/27/83/418002783.db2.gz SQJNWWVAWPESLM-STQMWFEESA-N -1 0 307.350 0.988 10 0 DCAERM CC(C)(C)OC(=O)N1CCN(Cc2cnccn2)[C@H](C(=O)[O-])C1 ZINC000095087054 278399901 /nfs/dbraw/zinc/39/99/01/278399901.db2.gz ITNMQUCWUBRJHG-LBPRGKRZSA-N -1 0 322.365 0.983 10 0 DCAERM CN1CC[C@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1=O ZINC000555556725 288355043 /nfs/dbraw/zinc/35/50/43/288355043.db2.gz KRXBLIBMXQHEHP-UWVGGRQHSA-N -1 0 307.354 0.085 10 0 DCAERM CCC(=O)N1CSC[C@H]1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000262583325 281937112 /nfs/dbraw/zinc/93/71/12/281937112.db2.gz GAVDGUCJGBRCHA-WPRPVWTQSA-N -1 0 300.380 0.762 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000262089534 293924067 /nfs/dbraw/zinc/92/40/67/293924067.db2.gz CGKOXTOKHSBZAZ-CHWSQXEVSA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC000261724525 294593757 /nfs/dbraw/zinc/59/37/57/294593757.db2.gz QMKYRMBZBODUBW-QWRGUYRKSA-N -1 0 314.382 0.629 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])on1 ZINC000333638398 301279419 /nfs/dbraw/zinc/27/94/19/301279419.db2.gz WVUCUNIHSJVKKU-GZMMTYOYSA-N -1 0 302.352 0.998 10 0 DCAERM Cc1cccc2c(=O)n(CCC(=O)N[C@@H](CF)C(=O)[O-])cnc12 ZINC000263031054 302052622 /nfs/dbraw/zinc/05/26/22/302052622.db2.gz UYQJEBAKPNMAJA-NSHDSACASA-N -1 0 321.308 0.634 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CC2CCC1CC2)[C@H]1CNC(=O)C1 ZINC000408495977 303819450 /nfs/dbraw/zinc/81/94/50/303819450.db2.gz OWPRJOHMYLCJNZ-LXKPXOPUSA-N -1 0 300.380 0.147 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)Cn1cnc2ccccc2c1=O ZINC000237396781 524120787 /nfs/dbraw/zinc/12/07/87/524120787.db2.gz KEPJFBKNFCYGBG-SNVBAGLBSA-N -1 0 303.318 0.766 10 0 DCAERM Cc1ccc(S([O-])=CC(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000156990652 526092205 /nfs/dbraw/zinc/09/22/05/526092205.db2.gz KEFZWLLIRIBDAM-QKVFXAPYSA-N -1 0 308.403 0.827 10 0 DCAERM O=C([O-])CCn1cncc(-c2nc(-c3cnccn3)no2)c1=O ZINC000073634887 527604074 /nfs/dbraw/zinc/60/40/74/527604074.db2.gz HSNRVWXYQCNCBK-UHFFFAOYSA-N -1 0 314.261 0.225 10 0 DCAERM COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000062132699 545659993 /nfs/dbraw/zinc/65/99/93/545659993.db2.gz IUCDLXWLQGRIQZ-SECBINFHSA-N -1 0 315.347 0.799 10 0 DCAERM O=C([O-])C1(CNC(=O)NCC[C@@H]2CCCO2)CCOCC1 ZINC000166145767 545877653 /nfs/dbraw/zinc/87/76/53/545877653.db2.gz MAALOEDEXYNDDO-NSHDSACASA-N -1 0 300.355 0.736 10 0 DCAERM CCN1CCO[C@H](CNS(=O)(=O)c2ccccc2[O-])C1 ZINC000166175194 545878307 /nfs/dbraw/zinc/87/83/07/545878307.db2.gz WPYYRUFAAWIGNI-LLVKDONJSA-N -1 0 300.380 0.391 10 0 DCAERM CS(=O)(=O)C1(CNC(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000393691423 546221343 /nfs/dbraw/zinc/22/13/43/546221343.db2.gz SFYICRCCRHIWKQ-UHFFFAOYSA-N -1 0 304.368 0.118 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)CC1CCOCC1 ZINC000263295136 662670577 /nfs/dbraw/zinc/67/05/77/662670577.db2.gz ZJHAMPWLNPBVMM-ZYHUDNBSSA-N -1 0 305.396 0.928 10 0 DCAERM Cc1cccn2c(=O)c(C(=O)[N-]S(=O)(=O)C(C)C)cnc12 ZINC000180747649 659066522 /nfs/dbraw/zinc/06/65/22/659066522.db2.gz QIHIOJAHIKKJIS-UHFFFAOYSA-N -1 0 309.347 0.471 10 0 DCAERM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000194597507 659510072 /nfs/dbraw/zinc/51/00/72/659510072.db2.gz MAMHXRJYTJOKEK-UTLUCORTSA-N -1 0 310.316 0.776 10 0 DCAERM Cc1nc(S(=O)(=O)N2CCC(F)(F)[C@H](C(=O)[O-])C2)c[nH]1 ZINC000285296255 659689057 /nfs/dbraw/zinc/68/90/57/659689057.db2.gz XUXQEFFBGRSVSW-ZETCQYMHSA-N -1 0 309.294 0.449 10 0 DCAERM CCCC(=O)NCC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262171791 662139019 /nfs/dbraw/zinc/13/90/19/662139019.db2.gz PDJGCFHOAZLKMS-SNVBAGLBSA-N -1 0 302.371 0.677 10 0 DCAERM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@]1(C)CCCO1 ZINC000262533020 662466189 /nfs/dbraw/zinc/46/61/89/662466189.db2.gz PPPYOFDGPFJTER-HNNXBMFYSA-N -1 0 312.366 0.337 10 0 DCAERM COC(=O)c1cc2c(cc1NC(=O)NCCC(=O)[O-])OCO2 ZINC000263058126 662623985 /nfs/dbraw/zinc/62/39/85/662623985.db2.gz ODPFROKVKJOFIL-UHFFFAOYSA-N -1 0 310.262 0.798 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000237389221 662831354 /nfs/dbraw/zinc/83/13/54/662831354.db2.gz VVAQBLYARXLSQN-SNVBAGLBSA-N -1 0 310.325 0.854 10 0 DCAERM C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721253073 662852938 /nfs/dbraw/zinc/85/29/38/662852938.db2.gz DEXVCWHDFKYRSI-KXNHARMFSA-N -1 0 302.396 0.758 10 0 DCAERM Cc1nonc1CN1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC1 ZINC000222319016 664373854 /nfs/dbraw/zinc/37/38/54/664373854.db2.gz DTGWOMMNOQJJIM-UHFFFAOYSA-N -1 0 324.381 0.913 10 0 DCAERM O=C(c1n[n-]c2ccccc2c1=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186090996 666676412 /nfs/dbraw/zinc/67/64/12/666676412.db2.gz OCZGOYJDQOKSDD-INIZCTEOSA-N -1 0 315.329 0.555 10 0 DCAERM O=C([O-])C1(O)CN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000706457999 667413330 /nfs/dbraw/zinc/41/33/30/667413330.db2.gz HBKRTSPPHOXKEJ-UHFFFAOYSA-N -1 0 309.702 0.299 10 0 DCAERM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)O1 ZINC000124084204 667895886 /nfs/dbraw/zinc/89/58/86/667895886.db2.gz TXKKOIIERBMBPV-GXFFZTMASA-N -1 0 310.375 0.978 10 0 DCAERM CCc1cc(C)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)o1 ZINC000129368786 669439212 /nfs/dbraw/zinc/43/92/12/669439212.db2.gz VYVDSAQXKPUQPW-UHFFFAOYSA-N -1 0 302.352 0.457 10 0 DCAERM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)C2)c(C)c1 ZINC000190808266 669929515 /nfs/dbraw/zinc/92/95/15/669929515.db2.gz OUGIPDZOLIFQBU-GFCCVEGCSA-N -1 0 310.375 0.386 10 0 DCAERM C[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)CCN1CCO ZINC000188743835 670042458 /nfs/dbraw/zinc/04/24/58/670042458.db2.gz JNAXMQBWXYWSQE-LLVKDONJSA-N -1 0 316.361 0.062 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)O1 ZINC000189835662 670164909 /nfs/dbraw/zinc/16/49/09/670164909.db2.gz FQVUVBQZERZWIR-CBAPKCEASA-N -1 0 323.321 0.521 10 0 DCAERM C[C@@H](NC(=O)NCc1nn(C)cc1Br)C(=O)[O-] ZINC000393289781 685263493 /nfs/dbraw/zinc/26/34/93/685263493.db2.gz FRBMTCFEVNSXSY-RXMQYKEDSA-N -1 0 305.132 0.455 10 0 DCAERM C[C@H]1OCCN(S(=O)(=O)c2cccnc2Cl)[C@@H]1C(=O)[O-] ZINC000393247599 685263630 /nfs/dbraw/zinc/26/36/30/685263630.db2.gz PGFLGLZXBGWSOL-APPZFPTMSA-N -1 0 320.754 0.598 10 0 DCAERM O=C([O-])[C@H](Cc1cncs1)NC(=O)N[C@@H]1CCSC1 ZINC000719036100 685307635 /nfs/dbraw/zinc/30/76/35/685307635.db2.gz PGMWABORCJHRLX-APPZFPTMSA-N -1 0 301.393 0.944 10 0 DCAERM COC(C)(C)[C@H](C)NS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000720056997 685312023 /nfs/dbraw/zinc/31/20/23/685312023.db2.gz NDCFGPMFXVBMHA-UWVGGRQHSA-N -1 0 308.400 0.431 10 0 DCAERM COC1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCCC1 ZINC000380694061 685237627 /nfs/dbraw/zinc/23/76/27/685237627.db2.gz FQJMVNAUFKACGQ-UHFFFAOYSA-N -1 0 302.352 0.950 10 0 DCAERM Nc1cc(Br)ccc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000347440296 1158871045 /nfs/dbraw/zinc/87/10/45/1158871045.db2.gz ZJOKUODFRRJCJR-UHFFFAOYSA-N -1 0 312.127 0.785 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 ZINC000252431872 1158614848 /nfs/dbraw/zinc/61/48/48/1158614848.db2.gz RHWZSXXZVNLHFV-AEJSXWLSSA-N -1 0 300.355 0.238 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)[C@@H]2CCOc3ccccc32)nn1 ZINC000261879261 1185159032 /nfs/dbraw/zinc/15/90/32/1185159032.db2.gz MHMDKVREJPDHNL-GFCCVEGCSA-N -1 0 316.317 0.545 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)COc2c(C)nn(C)c2C)C1 ZINC000262080563 1185161067 /nfs/dbraw/zinc/16/10/67/1185161067.db2.gz AXXCTGZIAGIBIT-GHMZBOCLSA-N -1 0 311.338 0.116 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc(-n3cncn3)c2)C1 ZINC000262075954 1185161181 /nfs/dbraw/zinc/16/11/81/1185161181.db2.gz ADSFADFOOPFXHH-QWHCGFSZSA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cn3ccc(C)cc3n2)C1 ZINC000262115551 1185162143 /nfs/dbraw/zinc/16/21/43/1185162143.db2.gz HQXPIVSTBRKBOQ-ZYHUDNBSSA-N -1 0 303.318 0.957 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000262505559 1185168178 /nfs/dbraw/zinc/16/81/78/1185168178.db2.gz MJTOCTUZKXZFET-RYUDHWBXSA-N -1 0 321.333 0.169 10 0 DCAERM CO[C@@H](CNC(=O)c1ccc(-n2cncn2)cc1C)C(=O)[O-] ZINC000263020309 1185175422 /nfs/dbraw/zinc/17/54/22/1185175422.db2.gz AFWBXHBQCCGRCG-LBPRGKRZSA-N -1 0 304.306 0.405 10 0 DCAERM CCn1c2ccccc2n(CC(=O)NC[C@H](OC)C(=O)[O-])c1=O ZINC000263104549 1185176976 /nfs/dbraw/zinc/17/69/76/1185176976.db2.gz OWYJOIFXXKDCEM-LBPRGKRZSA-N -1 0 321.333 0.039 10 0 DCAERM CO[C@H](CNC(=O)CNC(=O)CCC1CCCC1)C(=O)[O-] ZINC000263162798 1185177304 /nfs/dbraw/zinc/17/73/04/1185177304.db2.gz YYEOUGSMABRAQE-LLVKDONJSA-N -1 0 300.355 0.289 10 0 DCAERM CC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000689097775 954639035 /nfs/dbraw/zinc/63/90/35/954639035.db2.gz PXVSUJRTKBLATF-MXWKQRLJSA-N -1 0 306.384 0.280 10 0 DCAERM CCC[C@H](CCO)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689199862 954643864 /nfs/dbraw/zinc/64/38/64/954643864.db2.gz DYDXDJHVXNGKTB-MNOVXSKESA-N -1 0 308.400 0.169 10 0 DCAERM C[C@]1(C(=O)[O-])CCN(C(=O)NCCCCS(C)(=O)=O)C1 ZINC000692801598 954711071 /nfs/dbraw/zinc/71/10/71/954711071.db2.gz BDAVZMDLXCTXHZ-LBPRGKRZSA-N -1 0 306.384 0.317 10 0 DCAERM C[C@H](CCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)[S@@](C)=O ZINC000697989852 954837828 /nfs/dbraw/zinc/83/78/28/954837828.db2.gz FTFJTGXNJDFQAY-GYKIULCDSA-N -1 0 304.412 0.944 10 0 DCAERM CN(CCNS(C)(=O)=O)C(=O)c1cccc(C(=O)[O-])c1 ZINC000689690846 976259667 /nfs/dbraw/zinc/25/96/67/976259667.db2.gz SQLFBCZYVCQDRK-UHFFFAOYSA-N -1 0 300.336 0.006 10 0 DCAERM COC(=O)CCCS(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000690458190 976299403 /nfs/dbraw/zinc/29/94/03/976299403.db2.gz COKLIGJBJCSDMA-JTQLQIEISA-N -1 0 307.368 0.360 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000691337334 976352300 /nfs/dbraw/zinc/35/23/00/976352300.db2.gz SSWXXJVRVKHKGE-NXEZZACHSA-N -1 0 301.320 0.824 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693443255 976634666 /nfs/dbraw/zinc/63/46/66/976634666.db2.gz RYOQFSMXBAXYDC-KNVOCYPGSA-N -1 0 319.360 0.676 10 0 DCAERM COC(=O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694208412 976680588 /nfs/dbraw/zinc/68/05/88/976680588.db2.gz FLTLDLYUMKHCPY-UHFFFAOYSA-N -1 0 305.308 0.455 10 0 DCAERM CO[C@@]1(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CCOC1 ZINC000694211706 976684219 /nfs/dbraw/zinc/68/42/19/976684219.db2.gz LNLJVAUQAXCKRM-LLVKDONJSA-N -1 0 305.308 0.062 10 0 DCAERM O=C([O-])C12CC(C1)CN2S(=O)(=O)c1cccnc1Cl ZINC000694761902 976718818 /nfs/dbraw/zinc/71/88/18/976718818.db2.gz GHZRFQVJXHVNAG-UHFFFAOYSA-N -1 0 302.739 0.973 10 0 DCAERM CS(=O)(=O)CC1(CN2CCSC[C@@H]2CC(=O)[O-])CC1 ZINC000696742952 976823254 /nfs/dbraw/zinc/82/32/54/976823254.db2.gz KWUGYMWSQDBUTB-JTQLQIEISA-N -1 0 307.437 0.703 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NCCN2CCC2)ccc1F ZINC000697377021 976841765 /nfs/dbraw/zinc/84/17/65/976841765.db2.gz WBBVELYKOFUFQG-UHFFFAOYSA-N -1 0 302.327 0.508 10 0 DCAERM CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)NC ZINC000697823858 976863812 /nfs/dbraw/zinc/86/38/12/976863812.db2.gz JFWPGGBLORIAOL-LURJTMIESA-N -1 0 306.365 0.249 10 0 DCAERM Cc1nc(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)cn1C ZINC000092436161 185318244 /nfs/dbraw/zinc/31/82/44/185318244.db2.gz DEQXMEKNGROCSK-UHFFFAOYSA-N -1 0 315.273 0.366 10 0 DCAERM O=C([O-])Cn1c2ccsc2c(=O)n(Cc2cccnc2)c1=O ZINC000073661108 191337573 /nfs/dbraw/zinc/33/75/73/191337573.db2.gz VGCZOYQYUWTUAB-UHFFFAOYSA-N -1 0 317.326 0.753 10 0 DCAERM O=C([O-])Cn1c2ccsc2c(=O)n(C[C@@H]2CCCO2)c1=O ZINC000073661158 191337606 /nfs/dbraw/zinc/33/76/06/191337606.db2.gz OCMJTVYJWZXUIX-QMMMGPOBSA-N -1 0 310.331 0.488 10 0 DCAERM CCOCCCn1c(=O)c2sccc2n(CC(=O)[O-])c1=O ZINC000073661126 191337886 /nfs/dbraw/zinc/33/78/86/191337886.db2.gz BKORBDVXLUXWMD-UHFFFAOYSA-N -1 0 312.347 0.736 10 0 DCAERM CCc1c2nn(CC(=O)[O-])c(=O)n2c(-c2cccnc2)nc1C ZINC000073695122 191342301 /nfs/dbraw/zinc/34/23/01/191342301.db2.gz KBDSVJOQSXWNTQ-UHFFFAOYSA-N -1 0 313.317 0.908 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)CC(=O)[O-] ZINC000252432022 283444383 /nfs/dbraw/zinc/44/43/83/283444383.db2.gz UOXZQGDPVGTTBU-ZJUUUORDSA-N -1 0 306.384 0.170 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000164838683 291247601 /nfs/dbraw/zinc/24/76/01/291247601.db2.gz BHAYEHUFVXCMOC-SKDRFNHKSA-N -1 0 301.368 0.825 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000164838803 291247645 /nfs/dbraw/zinc/24/76/45/291247645.db2.gz BHAYEHUFVXCMOC-CABZTGNLSA-N -1 0 301.368 0.825 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cn1C ZINC000164856115 291247542 /nfs/dbraw/zinc/24/75/42/291247542.db2.gz SVGCORFVLWVGQB-BXKDBHETSA-N -1 0 301.368 0.650 10 0 DCAERM Cc1cccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000167255051 291248823 /nfs/dbraw/zinc/24/88/23/291248823.db2.gz PDNXJMTWYWJIGZ-UHFFFAOYSA-N -1 0 310.335 0.150 10 0 DCAERM CCC[C@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)C(=O)[O-] ZINC000263445808 203468950 /nfs/dbraw/zinc/46/89/50/203468950.db2.gz QWEQAMDPLKVWEF-UWVGGRQHSA-N -1 0 307.354 0.932 10 0 DCAERM Cc1cc(NS(=O)(=O)N2CCOCC2)sc1C(=O)[O-] ZINC000019980198 182173275 /nfs/dbraw/zinc/17/32/75/182173275.db2.gz FUTDZCPCXKBSHY-UHFFFAOYSA-N -1 0 306.365 0.744 10 0 DCAERM CCc1nnc(SCC(=O)[O-])n1[C@H]1CCS(=O)(=O)C1 ZINC000020591765 182235637 /nfs/dbraw/zinc/23/56/37/182235637.db2.gz WBGWXHFAKWIIOV-ZETCQYMHSA-N -1 0 305.381 0.377 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCS[C@@H]3COCC[C@@H]32)O1 ZINC000262290488 304193250 /nfs/dbraw/zinc/19/32/50/304193250.db2.gz LBCBWICJFBAOMO-UKKRHICBSA-N -1 0 301.364 0.352 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000262070471 304194590 /nfs/dbraw/zinc/19/45/90/304194590.db2.gz JXQZJKIBUSRCOF-BQBZGAKWSA-N -1 0 318.255 0.750 10 0 DCAERM C[C@@H]1OCCC[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000276785088 130546196 /nfs/dbraw/zinc/54/61/96/130546196.db2.gz IHSRUIZWUFTSTQ-BQBZGAKWSA-N -1 0 320.396 0.663 10 0 DCAERM O=C(NC[C@@H]1CCCS1(=O)=O)c1c([O-])cc(F)cc1F ZINC000151066948 545813170 /nfs/dbraw/zinc/81/31/70/545813170.db2.gz XVDLZBDWFUHABI-QMMMGPOBSA-N -1 0 305.302 0.977 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000085327463 395699733 /nfs/dbraw/zinc/69/97/33/395699733.db2.gz FWDCSFCLQBXTSD-FIQHERPVSA-N -1 0 320.411 0.573 10 0 DCAERM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccncc2)cn1C ZINC000089266042 395709244 /nfs/dbraw/zinc/70/92/44/395709244.db2.gz DPOLBKLMUYINJM-UHFFFAOYSA-N -1 0 308.363 0.923 10 0 DCAERM CCOC(=O)c1cn(C)nc1S(=O)(=O)[N-]c1cccnc1 ZINC000033895583 395717553 /nfs/dbraw/zinc/71/75/53/395717553.db2.gz IOURBNFPFSMFDX-UHFFFAOYSA-N -1 0 310.335 0.793 10 0 DCAERM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796727 395699197 /nfs/dbraw/zinc/69/91/97/395699197.db2.gz SJGZGUYVMSRZCM-CYBMUJFWSA-N -1 0 309.709 0.470 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000037376129 395726357 /nfs/dbraw/zinc/72/63/57/395726357.db2.gz LIYRITIFDRIQNK-GHMZBOCLSA-N -1 0 317.338 0.997 10 0 DCAERM CN(CC(F)(F)F)C(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000092779070 395733188 /nfs/dbraw/zinc/73/31/88/395733188.db2.gz NLWVDLQWQBLECF-QMMMGPOBSA-N -1 0 306.244 0.835 10 0 DCAERM CN(C[C@@H]1CCCOC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000111163434 395802431 /nfs/dbraw/zinc/80/24/31/395802431.db2.gz IIRBSMKJYDTBGE-QMMMGPOBSA-N -1 0 303.340 0.155 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)NC[C@@]1(O)CCc2ccccc21 ZINC000195432890 395827116 /nfs/dbraw/zinc/82/71/16/395827116.db2.gz MNUMFRFVXATQCS-NSHDSACASA-N -1 0 324.324 0.807 10 0 DCAERM Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])sc2C)no1 ZINC000231788629 395885264 /nfs/dbraw/zinc/88/52/64/395885264.db2.gz NZUNLXDSZSDKBS-UHFFFAOYSA-N -1 0 317.348 0.925 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062925667 395974233 /nfs/dbraw/zinc/97/42/33/395974233.db2.gz GSXGJPIQQBJAQH-ZWNOBZJWSA-N -1 0 318.395 0.412 10 0 DCAERM CN1N=C(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)CCC1=O ZINC000261719552 396059470 /nfs/dbraw/zinc/05/94/70/396059470.db2.gz PWPFZZNJGAXZEK-LBPRGKRZSA-N -1 0 303.318 0.927 10 0 DCAERM CC[C@@](C)(CO)Nc1nc[n-]c(=O)c1I ZINC000163956204 396087063 /nfs/dbraw/zinc/08/70/63/396087063.db2.gz UOHIXUCCWJDHSZ-VIFPVBQESA-N -1 0 323.134 0.947 10 0 DCAERM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2)cc1 ZINC000070303031 396101255 /nfs/dbraw/zinc/10/12/55/396101255.db2.gz KBWMWRAWLJYLCI-UHFFFAOYSA-N -1 0 309.347 0.936 10 0 DCAERM CCCC[C@@H](NC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000262313738 396122217 /nfs/dbraw/zinc/12/22/17/396122217.db2.gz TVYDGLIQJPXMOK-MRVPVSSYSA-N -1 0 306.326 0.168 10 0 DCAERM O=C([O-])[C@H](NC(=O)c1cnn2c1CCCC2)[C@@H]1CCCOC1 ZINC000262752346 396178762 /nfs/dbraw/zinc/17/87/62/396178762.db2.gz JMJXIFLBRCCMPK-ZWNOBZJWSA-N -1 0 307.350 0.829 10 0 DCAERM Cc1cnn(Cc2cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)no2)c1 ZINC000262994638 396197158 /nfs/dbraw/zinc/19/71/58/396197158.db2.gz TWYZDSNVLPENMU-AWEZNQCLSA-N -1 0 320.305 0.201 10 0 DCAERM O=C(NC[C@H]1CCCC[C@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000077157800 396213909 /nfs/dbraw/zinc/21/39/09/396213909.db2.gz MPJMKISPTAWTFC-LDYMZIIASA-N -1 0 318.333 0.305 10 0 DCAERM CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C)o2)C1 ZINC000263499762 396219080 /nfs/dbraw/zinc/21/90/80/396219080.db2.gz SMCFUWFMVVAPBJ-UHFFFAOYSA-N -1 0 316.379 0.804 10 0 DCAERM Cc1c(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)cnn1C ZINC000291816434 396513488 /nfs/dbraw/zinc/51/34/88/396513488.db2.gz DILOFOIYPVPIPC-UHFFFAOYSA-N -1 0 315.273 0.366 10 0 DCAERM C[C@H](C(=O)[O-])S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000536957136 396609821 /nfs/dbraw/zinc/60/98/21/396609821.db2.gz BYXRWMSKGGIKOB-SNVBAGLBSA-N -1 0 315.347 0.801 10 0 DCAERM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnc(C3CC3)s2)n1 ZINC000560703283 396623897 /nfs/dbraw/zinc/62/38/97/396623897.db2.gz ZVFXUOQDEYTBKS-UHFFFAOYSA-N -1 0 313.364 0.794 10 0 DCAERM O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCOCC(F)(F)C2)N1C1CC1 ZINC000630668338 397076065 /nfs/dbraw/zinc/07/60/65/397076065.db2.gz DULHDDYLXGNGJW-QWRGUYRKSA-N -1 0 318.320 0.561 10 0 DCAERM CC(C)CCSCC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000364512383 397211976 /nfs/dbraw/zinc/21/19/76/397211976.db2.gz XEKXANPXLKCGBW-CQSZACIVSA-N -1 0 313.423 0.966 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CCC[C@@H]1CCC(=O)[O-] ZINC000381174837 397271474 /nfs/dbraw/zinc/27/14/74/397271474.db2.gz OWFWSIROQBAKJM-SNVBAGLBSA-N -1 0 307.368 0.599 10 0 DCAERM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)[C@H](C)NC(C)=O ZINC000262346416 286054775 /nfs/dbraw/zinc/05/47/75/286054775.db2.gz AOORPTGHTVTRPH-MNOVXSKESA-N -1 0 302.371 0.487 10 0 DCAERM CCN(CCC(=O)[O-])C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262377923 158805639 /nfs/dbraw/zinc/80/56/39/158805639.db2.gz HUNMUCAWXKVTES-UHFFFAOYSA-N -1 0 319.317 0.425 10 0 DCAERM CO[C@@H](CNC(=O)C[C@H](NC(C)=O)c1ccccc1)C(=O)[O-] ZINC000263152324 158858011 /nfs/dbraw/zinc/85/80/11/158858011.db2.gz XCCLOUZPNBTCHB-STQMWFEESA-N -1 0 308.334 0.470 10 0 DCAERM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000408125708 160042674 /nfs/dbraw/zinc/04/26/74/160042674.db2.gz DLCWFENUTRRCGQ-WPRPVWTQSA-N -1 0 314.338 0.545 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)c(F)c1 ZINC000408205348 160059845 /nfs/dbraw/zinc/05/98/45/160059845.db2.gz KCFJJRHQVYYGNT-NSHDSACASA-N -1 0 316.354 0.270 10 0 DCAERM Cn1cc(S(=O)(=O)[N-]C(=O)C2(C)COC(C)(C)OC2)cn1 ZINC000408270544 160072764 /nfs/dbraw/zinc/07/27/64/160072764.db2.gz RKQHQZQZBHHVPS-UHFFFAOYSA-N -1 0 317.367 0.014 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)C2)sc1C ZINC000408289367 160077884 /nfs/dbraw/zinc/07/78/84/160077884.db2.gz CPHYNXUYMJLIKC-QMMMGPOBSA-N -1 0 302.377 0.306 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408478922 160116958 /nfs/dbraw/zinc/11/69/58/160116958.db2.gz FATZOKWHRHVLRS-UWVGGRQHSA-N -1 0 301.368 0.430 10 0 DCAERM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)s1 ZINC000408482884 160117841 /nfs/dbraw/zinc/11/78/41/160117841.db2.gz VONXIVYJQFIEQD-LLVKDONJSA-N -1 0 317.392 0.173 10 0 DCAERM C[C@@H]1Cc2cccc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)c2O1 ZINC000408481170 160117978 /nfs/dbraw/zinc/11/79/78/160117978.db2.gz FGIWNYPRFGZQBR-KOLCDFICSA-N -1 0 311.359 0.859 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000408479941 160117990 /nfs/dbraw/zinc/11/79/90/160117990.db2.gz VAHHUOXGNYTVNS-ZFWWWQNUSA-N -1 0 307.371 0.735 10 0 DCAERM Cn1cc(C(=O)[N-]S(=O)(=O)C2COC2)c(C(C)(C)C)n1 ZINC000408481953 160118000 /nfs/dbraw/zinc/11/80/00/160118000.db2.gz ZEHNRCPOJJMULC-UHFFFAOYSA-N -1 0 301.368 0.176 10 0 DCAERM CCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000408486861 160118120 /nfs/dbraw/zinc/11/81/20/160118120.db2.gz KCABPNUVHQOYSG-ONGXEEELSA-N -1 0 301.368 0.272 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCO[C@@H]2C(C)C)cnn1C ZINC000408488904 160118911 /nfs/dbraw/zinc/11/89/11/160118911.db2.gz ZGDIOTDCLKTHPS-ZYHUDNBSSA-N -1 0 315.395 0.595 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@@H]1CCCOCC1 ZINC000408488524 160119284 /nfs/dbraw/zinc/11/92/84/160119284.db2.gz YKAONRYVGIRFFJ-NEPJUHHUSA-N -1 0 305.396 0.818 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)N2CCCCCC2)C1 ZINC000020563589 415153920 /nfs/dbraw/zinc/15/39/20/415153920.db2.gz BOMFRGATZKAKDE-GHMZBOCLSA-N -1 0 306.384 0.281 10 0 DCAERM CC(C)CCS(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000092778449 415542295 /nfs/dbraw/zinc/54/22/95/415542295.db2.gz OCGIAAMLFOKIJP-NSHDSACASA-N -1 0 301.368 0.597 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)C[C@H](C)O1 ZINC000110300390 415684920 /nfs/dbraw/zinc/68/49/20/415684920.db2.gz HXUIGYMVWQVZRZ-PHIMTYICSA-N -1 0 320.411 0.527 10 0 DCAERM C[C@@H](NS(=O)(=O)c1ccnn1C)c1nc(C(=O)[O-])cs1 ZINC000124157753 415849715 /nfs/dbraw/zinc/84/97/15/415849715.db2.gz NFLAGAZLMCRCIG-ZCFIWIBFSA-N -1 0 316.364 0.614 10 0 DCAERM O=C([N-]S(=O)(=O)CC(F)(F)F)c1cnn2c1CCCC2 ZINC000125795766 415871394 /nfs/dbraw/zinc/87/13/94/415871394.db2.gz OHSWWDQZOZTCBV-UHFFFAOYSA-N -1 0 311.285 0.841 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cn1C ZINC000174002814 416072408 /nfs/dbraw/zinc/07/24/08/416072408.db2.gz MOFGLRAOQIGIMY-JQWIXIFHSA-N -1 0 300.428 0.736 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)[C@@H](c1ccccc1)n1cccn1 ZINC000357038633 416024110 /nfs/dbraw/zinc/02/41/10/416024110.db2.gz BGUYXUJRZISFSQ-GFCCVEGCSA-N -1 0 309.333 0.791 10 0 DCAERM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357042109 416025221 /nfs/dbraw/zinc/02/52/21/416025221.db2.gz GBOSJPAGPUKAPD-KWQFWETISA-N -1 0 301.306 0.534 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccc(Cn2cccn2)cc1 ZINC000357068371 416028629 /nfs/dbraw/zinc/02/86/29/416028629.db2.gz HDLDOKQVHKYIMT-UHFFFAOYSA-N -1 0 309.333 0.864 10 0 DCAERM COc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)c(C)c1OC ZINC000565675452 417007868 /nfs/dbraw/zinc/00/78/68/417007868.db2.gz VJWMEFPLNLYTBF-UHFFFAOYSA-N -1 0 303.322 0.944 10 0 DCAERM NS(=O)(=O)N1CCOC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616663333 417091500 /nfs/dbraw/zinc/09/15/00/417091500.db2.gz KAQHEOYOCAMEIS-LLVKDONJSA-N -1 0 300.336 0.004 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000408499423 417167233 /nfs/dbraw/zinc/16/72/33/417167233.db2.gz VEMUJABMCVJPCH-RFZPGFLSSA-N -1 0 313.257 0.569 10 0 DCAERM O=C([O-])[C@@H]1Cn2cnnc2CN1C(=O)COCc1ccccc1 ZINC000643854723 417400420 /nfs/dbraw/zinc/40/04/20/417400420.db2.gz INOIYTBZBZBAGF-LBPRGKRZSA-N -1 0 316.317 0.290 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000530152590 417545184 /nfs/dbraw/zinc/54/51/84/417545184.db2.gz XWTJAWLEUGEGSC-JQWIXIFHSA-N -1 0 306.384 0.139 10 0 DCAERM O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(N2CCC2=O)cc1 ZINC000439972570 287391931 /nfs/dbraw/zinc/39/19/31/287391931.db2.gz KORDPFNDHDEVAR-UHFFFAOYSA-N -1 0 302.294 0.569 10 0 DCAERM CCCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000629307277 417776897 /nfs/dbraw/zinc/77/68/97/417776897.db2.gz CMKMIEQCQBRUJA-PWSUYJOCSA-N -1 0 308.400 0.527 10 0 DCAERM C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000646180011 417799605 /nfs/dbraw/zinc/79/96/05/417799605.db2.gz OYZQXKIBKJYQHV-KXUCPTDWSA-N -1 0 304.368 0.068 10 0 DCAERM CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccnn2)C1(C)C ZINC000408494273 278229389 /nfs/dbraw/zinc/22/93/89/278229389.db2.gz DKPVPXZBKPJCEZ-VHSXEESVSA-N -1 0 311.363 0.533 10 0 DCAERM CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000547914466 288091826 /nfs/dbraw/zinc/09/18/26/288091826.db2.gz GAKBVNWDXYGQEE-NXEZZACHSA-N -1 0 307.368 0.455 10 0 DCAERM NC(=O)c1csc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000555557350 288355460 /nfs/dbraw/zinc/35/54/60/288355460.db2.gz UTJZHOHFGIBHQP-ZETCQYMHSA-N -1 0 321.362 0.691 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)OC[C@H]2CCCCO2)C1 ZINC000262157225 293922438 /nfs/dbraw/zinc/92/24/38/293922438.db2.gz OOVNKVVWPVZFOC-FDYHWXHSSA-N -1 0 315.366 0.661 10 0 DCAERM COc1ccc(S(=O)(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000020431912 295197897 /nfs/dbraw/zinc/19/78/97/295197897.db2.gz DUGLFNRGIBBHNR-ZYHUDNBSSA-N -1 0 315.347 0.558 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000366332119 519523368 /nfs/dbraw/zinc/52/33/68/519523368.db2.gz UARZSWXNVXWQIJ-GFCCVEGCSA-N -1 0 318.395 0.124 10 0 DCAERM CC(C)CN(CC(=O)[O-])C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000236670480 519710327 /nfs/dbraw/zinc/71/03/27/519710327.db2.gz QJOCFHCQNTYHDF-UHFFFAOYSA-N -1 0 317.349 0.909 10 0 DCAERM CCCC[C@H](NC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000262313740 521220889 /nfs/dbraw/zinc/22/08/89/521220889.db2.gz TVYDGLIQJPXMOK-QMMMGPOBSA-N -1 0 306.326 0.168 10 0 DCAERM Cc1nn(C)c(C)c1CCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000188171545 534813392 /nfs/dbraw/zinc/81/33/92/534813392.db2.gz PJJFCYWLULEPGR-CHWSQXEVSA-N -1 0 309.366 0.718 10 0 DCAERM CC(=O)Nc1ccc(S(=O)(=O)NCC2CC(O)C2)c(F)c1 ZINC000091538636 545717980 /nfs/dbraw/zinc/71/79/80/545717980.db2.gz YXHHYUIMJHUVCG-UHFFFAOYSA-N -1 0 316.354 0.833 10 0 DCAERM C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCCO1 ZINC000134675413 545801991 /nfs/dbraw/zinc/80/19/91/545801991.db2.gz VNWXTFNNKDQQMS-RQJHMYQMSA-N -1 0 306.365 0.687 10 0 DCAERM COCCN(CC(=O)N(C)C)C(=O)c1c([O-])cc(F)cc1F ZINC000162400004 545869170 /nfs/dbraw/zinc/86/91/70/545869170.db2.gz RYOMVPQNYHLXJH-UHFFFAOYSA-N -1 0 316.304 0.847 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)CC2CCOCC2)CC[C@@H]1C(=O)[O-] ZINC000526944260 546285010 /nfs/dbraw/zinc/28/50/10/546285010.db2.gz OCMBHXUUXCJOLZ-PWSUYJOCSA-N -1 0 305.396 0.785 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N=S2(=O)CCNCC2)cc1 ZINC000725261136 548748996 /nfs/dbraw/zinc/74/89/96/548748996.db2.gz OXXMRDSNRMTPTJ-UHFFFAOYSA-N -1 0 318.376 0.145 10 0 DCAERM C[C@@H](CCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC000392864451 1190701149 /nfs/dbraw/zinc/70/11/49/1190701149.db2.gz LTLVMSQFTDWWIZ-VHSXEESVSA-N -1 0 306.384 0.316 10 0 DCAERM C[C@@H]1SCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000311786258 660915048 /nfs/dbraw/zinc/91/50/48/660915048.db2.gz ZEIMBHMESFIIQJ-IONNQARKSA-N -1 0 302.377 0.952 10 0 DCAERM O=C([O-])Cc1cccc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 ZINC000888097981 661175390 /nfs/dbraw/zinc/17/53/90/661175390.db2.gz WJSMXPRGZXEFPK-ZIAGYGMSSA-N -1 0 319.357 0.974 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1n[nH]c2c1CCCC2 ZINC000180239709 665428109 /nfs/dbraw/zinc/42/81/09/665428109.db2.gz NRLWXCWJXHMROW-VIFPVBQESA-N -1 0 313.379 0.527 10 0 DCAERM Cn1cc(S(=O)(=O)NCC[C@H]2CCOC2)cc1C(=O)[O-] ZINC000236087059 658802854 /nfs/dbraw/zinc/80/28/54/658802854.db2.gz SIAQDEWBXCOOKH-VIFPVBQESA-N -1 0 302.352 0.428 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC000311872955 659382914 /nfs/dbraw/zinc/38/29/14/659382914.db2.gz SOBGKKXZSPFGMY-IHWYPQMZSA-N -1 0 305.333 0.454 10 0 DCAERM Cc1nc(S(=O)(=O)N2CCC(F)(F)[C@@H](C(=O)[O-])C2)c[nH]1 ZINC000285296253 659689178 /nfs/dbraw/zinc/68/91/78/659689178.db2.gz XUXQEFFBGRSVSW-SSDOTTSWSA-N -1 0 309.294 0.449 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CNC(=O)C1 ZINC000195284587 659754412 /nfs/dbraw/zinc/75/44/12/659754412.db2.gz TYNLQFXORNWAEE-YFKPBYRVSA-N -1 0 308.768 0.343 10 0 DCAERM Cc1sc(C)c(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1C ZINC000722563450 661388995 /nfs/dbraw/zinc/38/89/95/661388995.db2.gz IYFGQOAFXLQGTC-GFCCVEGCSA-N -1 0 319.404 0.883 10 0 DCAERM COc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)ccc1F ZINC000262792646 662581739 /nfs/dbraw/zinc/58/17/39/662581739.db2.gz SAXKQJMNDFKERM-QMMMGPOBSA-N -1 0 303.311 0.930 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)O1 ZINC000263001540 662613481 /nfs/dbraw/zinc/61/34/81/662613481.db2.gz VBIFUIFQDYTAMQ-ZYHUDNBSSA-N -1 0 312.366 0.336 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)Cc1ccccc1 ZINC000263416169 662686706 /nfs/dbraw/zinc/68/67/06/662686706.db2.gz HWMRXPKNAIZFBS-MRXNPFEDSA-N -1 0 304.346 0.811 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])C1 ZINC000536989357 662894522 /nfs/dbraw/zinc/89/45/22/662894522.db2.gz IOCJYWOSMNTCEZ-MRVPVSSYSA-N -1 0 302.356 0.507 10 0 DCAERM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000448987318 667260429 /nfs/dbraw/zinc/26/04/29/667260429.db2.gz AVFGRFLUFOVZQB-SCZZXKLOSA-N -1 0 314.388 0.911 10 0 DCAERM CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000448997271 667266293 /nfs/dbraw/zinc/26/62/93/667266293.db2.gz SUWJIGZLQKOVTO-BXUZGUMPSA-N -1 0 314.407 0.867 10 0 DCAERM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000737351268 667598420 /nfs/dbraw/zinc/59/84/20/667598420.db2.gz FVYMRNHTKDMRLB-SECBINFHSA-N -1 0 321.358 0.934 10 0 DCAERM Cc1ccoc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886096566 667731402 /nfs/dbraw/zinc/73/14/02/667731402.db2.gz CULLOUYEXOMADX-OAHLLOKOSA-N -1 0 308.334 0.590 10 0 DCAERM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)C1 ZINC000190836104 669936161 /nfs/dbraw/zinc/93/61/61/669936161.db2.gz OTABBYFRZFMJCU-JTQLQIEISA-N -1 0 314.338 0.216 10 0 DCAERM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000713274815 670154624 /nfs/dbraw/zinc/15/46/24/670154624.db2.gz HWNSGTXUQMPVSD-BNOWGMLFSA-N -1 0 306.362 0.723 10 0 DCAERM Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCC(=O)N(C)C ZINC000193926969 670379262 /nfs/dbraw/zinc/37/92/62/670379262.db2.gz SELIJJNTKAIBAA-UHFFFAOYSA-N -1 0 322.818 0.529 10 0 DCAERM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000105754474 672217320 /nfs/dbraw/zinc/21/73/20/672217320.db2.gz RYPNCBUWNONKEM-UHFFFAOYSA-N -1 0 324.402 0.897 10 0 DCAERM COCCN(CC(=O)[O-])C(=O)NCCCc1nccs1 ZINC000391113873 685261321 /nfs/dbraw/zinc/26/13/21/685261321.db2.gz VPULOZBMOIDLKZ-UHFFFAOYSA-N -1 0 301.368 0.818 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)NCc2ncc(C(=O)[O-])s2)C1 ZINC000720652728 685314476 /nfs/dbraw/zinc/31/44/76/685314476.db2.gz QCGDUHMCEFMMJQ-MRVPVSSYSA-N -1 0 319.408 0.908 10 0 DCAERM O=C([O-])/C=C/CNS(=O)(=O)c1ccc(Br)o1 ZINC000381299405 685238754 /nfs/dbraw/zinc/23/87/54/685238754.db2.gz CJNDJJSDFFREAH-OWOJBTEDSA-N -1 0 310.125 0.961 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC000261724528 1184982846 /nfs/dbraw/zinc/98/28/46/1184982846.db2.gz QMKYRMBZBODUBW-WDEREUQCSA-N -1 0 314.382 0.629 10 0 DCAERM COc1cccc(OCC(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000262126852 1185162002 /nfs/dbraw/zinc/16/20/02/1185162002.db2.gz JRKMZPOBXYRVQF-OLZOCXBDSA-N -1 0 309.318 0.775 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CN2CCc3ccccc32)C1 ZINC000262198870 1185163901 /nfs/dbraw/zinc/16/39/01/1185163901.db2.gz VPRCEVFFYOCIDT-GXTWGEPZSA-N -1 0 304.346 0.750 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000262505552 1185168644 /nfs/dbraw/zinc/16/86/44/1185168644.db2.gz MJTOCTUZKXZFET-NWDGAFQWSA-N -1 0 321.333 0.169 10 0 DCAERM CO[C@@H](CNC(=O)[C@H](C)NC(=O)CC1CCCCC1)C(=O)[O-] ZINC000263061285 1185175313 /nfs/dbraw/zinc/17/53/13/1185175313.db2.gz HTERLEKPBXIHIH-JQWIXIFHSA-N -1 0 314.382 0.677 10 0 DCAERM CO[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000263152434 1185176783 /nfs/dbraw/zinc/17/67/83/1185176783.db2.gz XFTDZSLSDMPTLP-UHIISALHSA-N -1 0 321.329 0.777 10 0 DCAERM CCc1ccccc1CC(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000263517627 1185177908 /nfs/dbraw/zinc/17/79/08/1185177908.db2.gz FOFLILPBTMBKLM-UHFFFAOYSA-N -1 0 302.334 0.784 10 0 DCAERM CCn1nccc1N1CCC[C@@H](NC(=O)NCCC(=O)[O-])C1=O ZINC000263348262 1185178092 /nfs/dbraw/zinc/17/80/92/1185178092.db2.gz HFWNDIIZQBEUOP-SNVBAGLBSA-N -1 0 323.353 0.172 10 0 DCAERM CS(=O)(=O)CCCCNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000692802752 954711120 /nfs/dbraw/zinc/71/11/20/954711120.db2.gz JBYRHOSEHPUJTQ-UHFFFAOYSA-N -1 0 306.384 0.317 10 0 DCAERM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC(CCC(=O)[O-])CC1 ZINC000696841415 954821707 /nfs/dbraw/zinc/82/17/07/954821707.db2.gz MVTWPWYNAGMYKI-NWDGAFQWSA-N -1 0 305.396 0.375 10 0 DCAERM Cc1oc(C(=O)[O-])cc1C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000689099955 976221026 /nfs/dbraw/zinc/22/10/26/976221026.db2.gz QYWQJGCZIKFMLK-UHFFFAOYSA-N -1 0 301.320 0.593 10 0 DCAERM CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000689313518 976249553 /nfs/dbraw/zinc/24/95/53/976249553.db2.gz WNOBZSMSIJNGCM-SSDOTTSWSA-N -1 0 322.408 0.869 10 0 DCAERM Cc1ccc(CCNS(=O)(=O)N(C)CCC(=O)[O-])nc1 ZINC000689426248 976254109 /nfs/dbraw/zinc/25/41/09/976254109.db2.gz QKTQKQVQXCMZBX-UHFFFAOYSA-N -1 0 301.368 0.173 10 0 DCAERM C[C@H](O)CN(C1CC1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000691513070 976359730 /nfs/dbraw/zinc/35/97/30/976359730.db2.gz MKKYPPWMMWPRPM-ZETCQYMHSA-N -1 0 305.377 0.980 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NC/C=C(\C)C(=O)[O-] ZINC000692509107 976518033 /nfs/dbraw/zinc/51/80/33/976518033.db2.gz LVEZHFYXSPWUSR-XVNBXDOJSA-N -1 0 319.360 0.844 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NCCc2nccs2)c1 ZINC000694207951 976680739 /nfs/dbraw/zinc/68/07/39/976680739.db2.gz CAXGSMLKPQJTGQ-UHFFFAOYSA-N -1 0 302.333 0.955 10 0 DCAERM CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211364 976681972 /nfs/dbraw/zinc/68/19/72/976681972.db2.gz ZSANRMOTSUQAOB-SSDOTTSWSA-N -1 0 304.324 0.169 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCC[C@@H](CO)CC2)c1 ZINC000694223129 976685615 /nfs/dbraw/zinc/68/56/15/976685615.db2.gz UKXULXUGCOGUNV-SECBINFHSA-N -1 0 303.336 0.761 10 0 DCAERM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@H]1CCCS1(=O)=O)CC2 ZINC000694678796 976710237 /nfs/dbraw/zinc/71/02/37/976710237.db2.gz NWUVGESVMFQKBS-VHSXEESVSA-N -1 0 301.364 0.277 10 0 DCAERM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000694797366 976724054 /nfs/dbraw/zinc/72/40/54/976724054.db2.gz YMLZLPYGRRIZFJ-ZJUUUORDSA-N -1 0 306.384 0.157 10 0 DCAERM O=C([O-])C1=CC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000694956334 976755276 /nfs/dbraw/zinc/75/52/76/976755276.db2.gz VFWDJSSMOVOTQD-UWVGGRQHSA-N -1 0 302.352 0.036 10 0 DCAERM O=C([O-])C[C@H]1CSCCN1CC[C@H]1CCS(=O)(=O)C1 ZINC000696702288 976822079 /nfs/dbraw/zinc/82/20/79/976822079.db2.gz IIXTZMXVSLOPGB-QWRGUYRKSA-N -1 0 307.437 0.703 10 0 DCAERM CN(C)c1nc(CN2CCSC[C@H]2CC(=O)[O-])ns1 ZINC000699076692 976907624 /nfs/dbraw/zinc/90/76/24/976907624.db2.gz NKSSLUGTRREWBM-MRVPVSSYSA-N -1 0 302.425 0.996 10 0 DCAERM Cn1nccc1CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000184927296 237293922 /nfs/dbraw/zinc/29/39/22/237293922.db2.gz ZPRBDLVCQRMOEC-UHFFFAOYSA-N -1 0 313.310 0.736 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000164882020 291248090 /nfs/dbraw/zinc/24/80/90/291248090.db2.gz MSXULKBDEHIAQV-CABZTGNLSA-N -1 0 301.368 0.948 10 0 DCAERM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000263494008 291389859 /nfs/dbraw/zinc/38/98/59/291389859.db2.gz PZIVGLAVPGYHKN-OUAUKWLOSA-N -1 0 319.379 0.597 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1c(F)cccc1F ZINC000040396395 304145679 /nfs/dbraw/zinc/14/56/79/304145679.db2.gz WXHRWRVJHNIHHU-RCOVLWMOSA-N -1 0 307.274 0.173 10 0 DCAERM COC(=O)c1ccccc1N1C(=O)C[C@@H](SCC(=O)[O-])C1=O ZINC000016900488 182062909 /nfs/dbraw/zinc/06/29/09/182062909.db2.gz AUWSGAKPFYTQBN-SNVBAGLBSA-N -1 0 323.326 0.923 10 0 DCAERM O=C([O-])Cc1ccc(S(=O)(=O)N2CCC(O)CC2)s1 ZINC000019981662 182173058 /nfs/dbraw/zinc/17/30/58/182173058.db2.gz MSVNYEGPUYQPLL-UHFFFAOYSA-N -1 0 305.377 0.521 10 0 DCAERM Cc1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])s1 ZINC000020015995 182178536 /nfs/dbraw/zinc/17/85/36/182178536.db2.gz MTBOHXWVGNUCCW-MRVPVSSYSA-N -1 0 305.377 0.674 10 0 DCAERM COc1ccc(S(=O)(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000020431913 182216943 /nfs/dbraw/zinc/21/69/43/182216943.db2.gz DUGLFNRGIBBHNR-CMPLNLGQSA-N -1 0 315.347 0.558 10 0 DCAERM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)CCS(C)(=O)=O ZINC000037744126 182922761 /nfs/dbraw/zinc/92/27/61/182922761.db2.gz HYOUJCKKNWDPPY-UHFFFAOYSA-N -1 0 306.361 0.512 10 0 DCAERM CCN(CC(=O)OC)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000042527948 183280836 /nfs/dbraw/zinc/28/08/36/183280836.db2.gz TYHKBKKEZFCTNY-UHFFFAOYSA-N -1 0 307.349 0.630 10 0 DCAERM NC(=O)Nc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000043509828 183368872 /nfs/dbraw/zinc/36/88/72/183368872.db2.gz BLDJIQPNBUJSPJ-ZDUSSCGKSA-N -1 0 309.347 0.867 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085327613 395699871 /nfs/dbraw/zinc/69/98/71/395699871.db2.gz YQLOROTYCCWETN-VHSXEESVSA-N -1 0 307.368 0.502 10 0 DCAERM O=C([O-])C[C@H]1COCCN1S(=O)(=O)CCCC(F)(F)F ZINC000214845692 395835999 /nfs/dbraw/zinc/83/59/99/395835999.db2.gz HNYKEHLEQZFDLP-QMMMGPOBSA-N -1 0 319.301 0.834 10 0 DCAERM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000221490114 395851046 /nfs/dbraw/zinc/85/10/46/395851046.db2.gz POZXGAMWKPZAHP-YTWAJWBKSA-N -1 0 306.384 0.135 10 0 DCAERM CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000223696735 395856814 /nfs/dbraw/zinc/85/68/14/395856814.db2.gz MTQXTZRVFLYVAP-UHFFFAOYSA-N -1 0 303.336 0.708 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000130819518 395923169 /nfs/dbraw/zinc/92/31/69/395923169.db2.gz TZIXXDMWFDAMHM-LBPRGKRZSA-N -1 0 309.347 0.833 10 0 DCAERM CN(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000137070612 395950303 /nfs/dbraw/zinc/95/03/03/395950303.db2.gz IFQBMHKYAXOGAQ-NXEZZACHSA-N -1 0 320.411 0.704 10 0 DCAERM CCN(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H](C)CC(=O)[O-] ZINC000061213695 395966665 /nfs/dbraw/zinc/96/66/65/395966665.db2.gz NAFBIVDTDCFDER-ZJUUUORDSA-N -1 0 306.384 0.410 10 0 DCAERM COCCN(CCOC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000261825340 396070273 /nfs/dbraw/zinc/07/02/73/396070273.db2.gz XCHKAZWCOAGZGV-AWEZNQCLSA-N -1 0 324.377 0.987 10 0 DCAERM CC[C@H](O)CNc1nc[n-]c(=O)c1I ZINC000165331324 396087471 /nfs/dbraw/zinc/08/74/71/396087471.db2.gz OCVORWLBFIPSNP-YFKPBYRVSA-N -1 0 309.107 0.557 10 0 DCAERM CCC1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000176731800 396160121 /nfs/dbraw/zinc/16/01/21/396160121.db2.gz DAVNSGMOKLUOSG-UHFFFAOYSA-N -1 0 324.362 0.222 10 0 DCAERM CC(C)(CCNC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC000262982194 396196417 /nfs/dbraw/zinc/19/64/17/396196417.db2.gz KVLAOLAFMDFYFA-UHFFFAOYSA-N -1 0 305.334 0.947 10 0 DCAERM CNS(=O)(=O)c1csc(C(=O)N[C@@H](C)CCC(=O)[O-])c1 ZINC000263009935 396197665 /nfs/dbraw/zinc/19/76/65/396197665.db2.gz WNJVKGXVQLOXJM-ZETCQYMHSA-N -1 0 320.392 0.639 10 0 DCAERM Cc1sc2ncc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c(=O)n2c1C ZINC000263351528 396215070 /nfs/dbraw/zinc/21/50/70/396215070.db2.gz VTAFGIOXRZZVCB-DTORHVGOSA-N -1 0 321.358 0.966 10 0 DCAERM Cc1c(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)cnn1C ZINC000312713708 396766516 /nfs/dbraw/zinc/76/65/16/396766516.db2.gz PVCQPHJEOMWFKU-ZJUUUORDSA-N -1 0 301.368 0.650 10 0 DCAERM CO[C@@H]1CN(C(=O)N[C@H]2CCCn3nccc32)[C@@](C)(C(=O)[O-])C1 ZINC000630504147 397033919 /nfs/dbraw/zinc/03/39/19/397033919.db2.gz FDAWSPLDMLPHPU-ZIBATOQPSA-N -1 0 322.365 0.992 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@@H]1C ZINC000384461441 397281692 /nfs/dbraw/zinc/28/16/92/397281692.db2.gz KTLKCYBKKWQAQH-VHSXEESVSA-N -1 0 307.368 0.455 10 0 DCAERM O=C(NCc1nnn[n-]1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000599344430 397414691 /nfs/dbraw/zinc/41/46/91/397414691.db2.gz LCVBKBNYCFCVFB-LLVKDONJSA-N -1 0 316.321 0.247 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000121281306 158208837 /nfs/dbraw/zinc/20/88/37/158208837.db2.gz NRPRCOPFDQGFFA-XCBNKYQSSA-N -1 0 301.368 0.409 10 0 DCAERM O=C([O-])[C@H]1C[C@@H](c2ccccc2)CN(C(=O)Cn2cnnn2)C1 ZINC000180344518 158477636 /nfs/dbraw/zinc/47/76/36/158477636.db2.gz MMLLJPQSGXTBPA-OLZOCXBDSA-N -1 0 315.333 0.390 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000195358508 158610129 /nfs/dbraw/zinc/61/01/29/158610129.db2.gz XQKGWOQAVVSVLW-IUCAKERBSA-N -1 0 318.317 0.263 10 0 DCAERM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000230812029 158624781 /nfs/dbraw/zinc/62/47/81/158624781.db2.gz VPRBFUXVZLETQO-BQBZGAKWSA-N -1 0 307.759 0.557 10 0 DCAERM CN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262200580 158784097 /nfs/dbraw/zinc/78/40/97/158784097.db2.gz SGNAVPVCQRPCHV-MNOVXSKESA-N -1 0 310.375 0.934 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCC(=O)NC(C)C)C1 ZINC000262204767 158784349 /nfs/dbraw/zinc/78/43/49/158784349.db2.gz WQWSHWXNERLXRZ-QWRGUYRKSA-N -1 0 300.355 0.382 10 0 DCAERM C/C=C/C[C@@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-] ZINC000263245361 158864915 /nfs/dbraw/zinc/86/49/15/158864915.db2.gz GAJJZHHBJLGOAA-UFUPEUMYSA-N -1 0 307.335 0.873 10 0 DCAERM Cc1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1F ZINC000313212813 158997069 /nfs/dbraw/zinc/99/70/69/158997069.db2.gz VATYGKDBIKPNOZ-IUCAKERBSA-N -1 0 303.311 0.343 10 0 DCAERM CO[C@@H](C)c1nc(=N[C@H]2CCN(c3cnn(C)c3)C2=O)s[n-]1 ZINC000367166068 159318330 /nfs/dbraw/zinc/31/83/30/159318330.db2.gz QYABYKGDBJJRGU-WPRPVWTQSA-N -1 0 322.394 0.618 10 0 DCAERM CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000367489597 159341347 /nfs/dbraw/zinc/34/13/47/159341347.db2.gz KPRSNGXGSZVRIL-IONNQARKSA-N -1 0 321.786 0.947 10 0 DCAERM CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)[N-]S(C)(=O)=O ZINC000408126564 160043026 /nfs/dbraw/zinc/04/30/26/160043026.db2.gz QFEMIONPJLSFCP-ONGXEEELSA-N -1 0 301.368 0.617 10 0 DCAERM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)c1 ZINC000408205523 160060114 /nfs/dbraw/zinc/06/01/14/160060114.db2.gz KISNKGNVOXUAKM-GFCCVEGCSA-N -1 0 316.354 0.270 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408243490 160067597 /nfs/dbraw/zinc/06/75/97/160067597.db2.gz AHUNVSUEDSAXEG-KXNHARMFSA-N -1 0 303.380 0.284 10 0 DCAERM C[C@@H](C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1)N1CCOCC1 ZINC000408469166 160114750 /nfs/dbraw/zinc/11/47/50/160114750.db2.gz OYZGZCPBTQKMGV-WDEREUQCSA-N -1 0 310.354 0.202 10 0 DCAERM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOCC2)cn1 ZINC000408477429 160116962 /nfs/dbraw/zinc/11/69/62/160116962.db2.gz APOINZUMYCVBBB-SNVBAGLBSA-N -1 0 314.363 0.712 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408478926 160117101 /nfs/dbraw/zinc/11/71/01/160117101.db2.gz FATZOKWHRHVLRS-ZJUUUORDSA-N -1 0 301.368 0.430 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408483125 160117835 /nfs/dbraw/zinc/11/78/35/160117835.db2.gz WFSYGWZFTFBRSQ-NWDGAFQWSA-N -1 0 304.412 0.486 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)nnn1C(C)C ZINC000408483037 160117843 /nfs/dbraw/zinc/11/78/43/160117843.db2.gz LSGGGGULBXGKPQ-JTQLQIEISA-N -1 0 316.383 0.406 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408482716 160117898 /nfs/dbraw/zinc/11/78/98/160117898.db2.gz LECZTNKLTMUHCJ-MNOVXSKESA-N -1 0 315.395 0.739 10 0 DCAERM Cn1cc(C(=O)[N-]S(=O)(=O)C2CCC2)c([C@H]2CCOC2)n1 ZINC000408485122 160118254 /nfs/dbraw/zinc/11/82/54/160118254.db2.gz OGNKZDSOJQXSRU-VIFPVBQESA-N -1 0 313.379 0.536 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)cnn1C ZINC000408488876 160118872 /nfs/dbraw/zinc/11/88/72/160118872.db2.gz OSGNPORLAAILAJ-UHFFFAOYSA-N -1 0 323.378 0.380 10 0 DCAERM CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000408490716 160118910 /nfs/dbraw/zinc/11/89/10/160118910.db2.gz CNLXJTUWAYZVTK-VHSXEESVSA-N -1 0 302.396 0.667 10 0 DCAERM CC(C)[C@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408488575 160119021 /nfs/dbraw/zinc/11/90/21/160119021.db2.gz ZBXZRNOLCZHUNZ-WDEREUQCSA-N -1 0 301.368 0.286 10 0 DCAERM CCn1ncc(C(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)n1 ZINC000408493362 160119803 /nfs/dbraw/zinc/11/98/03/160119803.db2.gz LOBVDZKZSWXESI-RTYFJBAXSA-N -1 0 312.395 0.936 10 0 DCAERM Cc1ccc2c(O)c(C(=O)NCCNC(=O)C3CC3)cnc2n1 ZINC000192663959 287059386 /nfs/dbraw/zinc/05/93/86/287059386.db2.gz MBDMQBYQYSDMME-UHFFFAOYSA-N -1 0 314.345 0.900 10 0 DCAERM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000249925837 287118731 /nfs/dbraw/zinc/11/87/31/287118731.db2.gz CBJVFJDVQCAYKO-DCAQKATOSA-N -1 0 308.400 0.383 10 0 DCAERM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1C(=O)OC ZINC000044618079 415226631 /nfs/dbraw/zinc/22/66/31/415226631.db2.gz SBQDBJHQGITHOH-JTQLQIEISA-N -1 0 315.347 0.957 10 0 DCAERM CS(=O)(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CC2)cs1 ZINC000357052005 416027701 /nfs/dbraw/zinc/02/77/01/416027701.db2.gz QHVAPXJPDDDAJZ-UHFFFAOYSA-N -1 0 313.364 0.084 10 0 DCAERM CCn1cc(-c2n[nH]cc2C(=O)NC2(c3nnn[n-]3)CC2)cn1 ZINC000357066188 416029113 /nfs/dbraw/zinc/02/91/13/416029113.db2.gz GWBATWLKMKIAQY-UHFFFAOYSA-N -1 0 313.325 0.225 10 0 DCAERM c1cnc(NCCN=c2[n-]nc(C3CCOCC3)s2)cn1 ZINC000338657490 416122890 /nfs/dbraw/zinc/12/28/90/416122890.db2.gz PJSJPBSFOYPNSA-UHFFFAOYSA-N -1 0 306.395 0.590 10 0 DCAERM CCc1ncc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cn1 ZINC000179016008 416181533 /nfs/dbraw/zinc/18/15/33/416181533.db2.gz SPDWOHGOIICHPW-UHFFFAOYSA-N -1 0 306.347 0.939 10 0 DCAERM Cn1nccc1N1CCC[C@@H]([N-]c2nnc(C(F)F)o2)C1=O ZINC000330349473 416200656 /nfs/dbraw/zinc/20/06/56/416200656.db2.gz JXOSXBLYQLYDRV-SSDOTTSWSA-N -1 0 312.280 1.348 10 0 DCAERM Cc1ccn(C)c1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000190717642 416280916 /nfs/dbraw/zinc/28/09/16/416280916.db2.gz CFFZLYSULKTETD-LLVKDONJSA-N -1 0 300.380 0.962 10 0 DCAERM CO[C@@H]1CCC[C@@H](CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000359374037 416343771 /nfs/dbraw/zinc/34/37/71/416343771.db2.gz VVFFVSADWYFBEG-RKDXNWHRSA-N -1 0 316.383 0.742 10 0 DCAERM NS(=O)(=O)N1CCOCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616661677 417090699 /nfs/dbraw/zinc/09/06/99/417090699.db2.gz XIEFJBJBLCVNLT-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM CC(=O)c1cnccc1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000414452087 417279717 /nfs/dbraw/zinc/27/97/17/417279717.db2.gz KCKFPUZLDPPUPR-UHFFFAOYSA-N -1 0 306.347 0.650 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@@H]2CC2(F)F)C1 ZINC000622039940 417378373 /nfs/dbraw/zinc/37/83/73/417378373.db2.gz YVWKPKSRIXXQSI-DTWKUNHWSA-N -1 0 312.338 0.663 10 0 DCAERM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1c(Cl)cnn1C ZINC000530142306 417541487 /nfs/dbraw/zinc/54/14/87/417541487.db2.gz BZBLWADOUVXIPB-KNVOCYPGSA-N -1 0 307.759 0.557 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)no1 ZINC000577111169 417664453 /nfs/dbraw/zinc/66/44/53/417664453.db2.gz NHBPRYNRRIHIMI-KWQFWETISA-N -1 0 302.352 0.855 10 0 DCAERM CCCCN(C)S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314624 417778854 /nfs/dbraw/zinc/77/88/54/417778854.db2.gz UNKPILRYGXYMQN-UHFFFAOYSA-N -1 0 302.356 0.241 10 0 DCAERM CO[C@H]1C[C@@H](CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000629346981 417784612 /nfs/dbraw/zinc/78/46/12/417784612.db2.gz ZLJDXTRRODYORT-MXWKQRLJSA-N -1 0 306.384 0.042 10 0 DCAERM Cc1noc(C)c1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000663223936 418002575 /nfs/dbraw/zinc/00/25/75/418002575.db2.gz SQJNWWVAWPESLM-CHWSQXEVSA-N -1 0 307.350 0.988 10 0 DCAERM COc1ccncc1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000663226698 418002629 /nfs/dbraw/zinc/00/26/29/418002629.db2.gz KOGZSSXGSLWKHA-STQMWFEESA-N -1 0 319.361 0.786 10 0 DCAERM CC(C)(C)OCCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000656720985 418372831 /nfs/dbraw/zinc/37/28/31/418372831.db2.gz HKFSETZBLNOMDK-UHFFFAOYSA-N -1 0 305.356 0.591 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC000227867101 261152885 /nfs/dbraw/zinc/15/28/85/261152885.db2.gz NETZNWYYQLLPHU-SSDOTTSWSA-N -1 0 307.759 0.559 10 0 DCAERM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](CO)C1CC1 ZINC000359825409 261772358 /nfs/dbraw/zinc/77/23/58/261772358.db2.gz WIAWVNUFRZKYMV-LLVKDONJSA-N -1 0 312.391 0.806 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043511604 270936915 /nfs/dbraw/zinc/93/69/15/270936915.db2.gz CCMXQQRDSKRDJV-SNVBAGLBSA-N -1 0 305.381 0.265 10 0 DCAERM CC(C)(C)OC(=O)N1CC[C@@]2(C1)[C@H](C(=O)[O-])CCS2(=O)=O ZINC000091302940 278409638 /nfs/dbraw/zinc/40/96/38/278409638.db2.gz JLGMRHTZBBORJA-TVQRCGJNSA-N -1 0 319.379 0.885 10 0 DCAERM C[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1O ZINC000408094929 299964502 /nfs/dbraw/zinc/96/45/02/299964502.db2.gz JVXINWJEUPLMHL-XVKPBYJWSA-N -1 0 304.306 0.279 10 0 DCAERM CC(C)[C@@H](C(=O)[O-])[C@H](C)NC(=O)N1CCS(=O)(=O)CC1 ZINC000399369641 337315839 /nfs/dbraw/zinc/31/58/39/337315839.db2.gz KCUGBVVLUSWBAA-VHSXEESVSA-N -1 0 306.384 0.172 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000218789542 337341207 /nfs/dbraw/zinc/34/12/07/337341207.db2.gz WTOVKWFXJXQBPF-DDHJBXDOSA-N -1 0 320.411 0.573 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)CNC(=O)COc1ccccc1 ZINC000262852002 524119384 /nfs/dbraw/zinc/11/93/84/524119384.db2.gz BWGDPGPITKTGKM-LLVKDONJSA-N -1 0 308.334 0.551 10 0 DCAERM C[C@@H](CO)[C@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000151911723 524814066 /nfs/dbraw/zinc/81/40/66/524814066.db2.gz OMPTZJBCUNIBAU-UWVGGRQHSA-N -1 0 300.380 0.805 10 0 DCAERM C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H](C(=O)[O-])O1 ZINC000262177319 524881740 /nfs/dbraw/zinc/88/17/40/524881740.db2.gz PYSQROLVHNHVFB-NOZJJQNGSA-N -1 0 301.302 0.944 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000158964675 524984778 /nfs/dbraw/zinc/98/47/78/524984778.db2.gz QWCCDPYFVLDQBM-UHFFFAOYSA-N -1 0 312.307 0.385 10 0 DCAERM CN(CCOCC1CC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000094984236 545729362 /nfs/dbraw/zinc/72/93/62/545729362.db2.gz JVGANNUTUVDCJD-UHFFFAOYSA-N -1 0 303.340 0.155 10 0 DCAERM CC(C)(C)C(=O)NCCC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131700139 545791437 /nfs/dbraw/zinc/79/14/37/545791437.db2.gz QZBKOOJEHXWYLQ-UHFFFAOYSA-N -1 0 300.355 0.289 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1O ZINC000134716903 545801413 /nfs/dbraw/zinc/80/14/13/545801413.db2.gz OWNUINLIWACQSN-JGVFFNPUSA-N -1 0 320.392 0.671 10 0 DCAERM COCC(=O)NC1CN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000186308843 545913332 /nfs/dbraw/zinc/91/33/32/545913332.db2.gz HTJDNMIYXHMDLM-UHFFFAOYSA-N -1 0 300.261 0.257 10 0 DCAERM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000189018486 545919032 /nfs/dbraw/zinc/91/90/32/545919032.db2.gz HUYWDUKKZBUDHC-ZEGGKSINSA-N -1 0 309.366 0.716 10 0 DCAERM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000251268097 545973587 /nfs/dbraw/zinc/97/35/87/545973587.db2.gz OOQIQBKQYFPQKU-WZRBSPASSA-N -1 0 320.411 0.527 10 0 DCAERM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000251268094 545973802 /nfs/dbraw/zinc/97/38/02/545973802.db2.gz OOQIQBKQYFPQKU-GVXVVHGQSA-N -1 0 320.411 0.527 10 0 DCAERM CCOC[C@H]1CN(C(=O)c2csc(C(=O)[O-])n2)CCO1 ZINC000721468779 658475518 /nfs/dbraw/zinc/47/55/18/658475518.db2.gz JRQVDTOIKCPHQI-MRVPVSSYSA-N -1 0 300.336 0.719 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC/C=C/C(=O)[O-] ZINC000291840362 658553005 /nfs/dbraw/zinc/55/30/05/658553005.db2.gz HFRWXCMUFROBAH-FVOPLDGLSA-N -1 0 318.395 0.338 10 0 DCAERM Cn1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C#N)c2)c1Cl ZINC000181545576 665612242 /nfs/dbraw/zinc/61/22/42/665612242.db2.gz GORFJSPMEJLXFB-UHFFFAOYSA-N -1 0 313.726 0.392 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C[C@H](C)O1 ZINC000312745936 659475708 /nfs/dbraw/zinc/47/57/08/659475708.db2.gz YNNQJUGAIJBMBW-IUCAKERBSA-N -1 0 300.336 0.578 10 0 DCAERM CO[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[C@H]1C ZINC000299936476 659665436 /nfs/dbraw/zinc/66/54/36/659665436.db2.gz LGSSLXWWROFYRU-LDYMZIIASA-N -1 0 302.352 0.758 10 0 DCAERM CCCC(=O)NCC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262171786 662138951 /nfs/dbraw/zinc/13/89/51/662138951.db2.gz PDJGCFHOAZLKMS-JTQLQIEISA-N -1 0 302.371 0.677 10 0 DCAERM Cc1nc([C@H](C)NC(=O)[C@@H]2COCCO2)sc1C(=O)[O-] ZINC000262507580 662429749 /nfs/dbraw/zinc/42/97/49/662429749.db2.gz AIUZTTRFUCVQMG-YUMQZZPRSA-N -1 0 300.336 0.742 10 0 DCAERM COC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262957974 662605940 /nfs/dbraw/zinc/60/59/40/662605940.db2.gz LTVWRUKSUJMMRD-TUAOUCFPSA-N -1 0 321.329 0.777 10 0 DCAERM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000263225530 662659971 /nfs/dbraw/zinc/65/99/71/662659971.db2.gz ZYVBPUYJWJGAQH-QWHCGFSZSA-N -1 0 304.346 0.715 10 0 DCAERM Cc1ccn2c(c1)ncc(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c2=O ZINC000263290736 662670616 /nfs/dbraw/zinc/67/06/16/662670616.db2.gz MBMQURUVZFYOIG-AOOOYVTPSA-N -1 0 301.302 0.596 10 0 DCAERM COC[C@H](CO)NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263500838 662703223 /nfs/dbraw/zinc/70/32/23/662703223.db2.gz VKBVPQRWCOWUGH-KGLIPLIRSA-N -1 0 324.377 0.769 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CC(CO)C2)cc(F)c1Cl ZINC000227253570 664530757 /nfs/dbraw/zinc/53/07/57/664530757.db2.gz OXOGTUQZKCCPOO-UHFFFAOYSA-N -1 0 323.729 0.790 10 0 DCAERM CC(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000184853001 666292629 /nfs/dbraw/zinc/29/26/29/666292629.db2.gz PGUFZSRHZSHXFE-VIFPVBQESA-N -1 0 315.395 0.611 10 0 DCAERM CC(=O)N1CSC[C@@H]1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000448990343 666497255 /nfs/dbraw/zinc/49/72/55/666497255.db2.gz GWEMVWPYABGPBV-SNVBAGLBSA-N -1 0 300.380 0.812 10 0 DCAERM CC(=O)N[C@@H]1CCC[N@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000119343444 667118771 /nfs/dbraw/zinc/11/87/71/667118771.db2.gz GBSOWOUCSQTOAL-OAHLLOKOSA-N -1 0 305.378 0.835 10 0 DCAERM O=C([O-])[C@@]1(N2CCN(C(=O)c3ccc(F)cc3)CC2)CCOC1 ZINC000886096943 667732259 /nfs/dbraw/zinc/73/22/59/667732259.db2.gz PLNHBDOYKOOTMH-MRXNPFEDSA-N -1 0 322.336 0.827 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000037457438 669774775 /nfs/dbraw/zinc/77/47/75/669774775.db2.gz UOXZQGDPVGTTBU-VHSXEESVSA-N -1 0 306.384 0.170 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCO[C@@H]1C ZINC000192187093 670136254 /nfs/dbraw/zinc/13/62/54/670136254.db2.gz UREOQBRBLHVBJB-GHMZBOCLSA-N -1 0 315.395 0.657 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@@H]2CCCS2)C1 ZINC000715914555 670225815 /nfs/dbraw/zinc/22/58/15/670225815.db2.gz FEDHMVSOKKGKRA-MNOVXSKESA-N -1 0 322.452 0.903 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000716033744 670227345 /nfs/dbraw/zinc/22/73/45/670227345.db2.gz FVSBFPWQCLIDBR-FGWVZKOKSA-N -1 0 322.452 0.902 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000262096846 685188939 /nfs/dbraw/zinc/18/89/39/685188939.db2.gz DTUQPBGKPBNGGN-VIFPVBQESA-N -1 0 319.317 0.472 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCc2c(C)nn(C)c2C)C1 ZINC000237227771 1180867857 /nfs/dbraw/zinc/86/78/57/1180867857.db2.gz KDNRBEREIGBATR-AAEUAGOBSA-N -1 0 309.366 0.670 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000261596506 1184453498 /nfs/dbraw/zinc/45/34/98/1184453498.db2.gz AHEFNMSEEGZBDV-SFYZADRCSA-N -1 0 321.255 0.602 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000262202510 1185163648 /nfs/dbraw/zinc/16/36/48/1185163648.db2.gz WJWQONBZNYOTNL-QWHCGFSZSA-N -1 0 305.330 0.865 10 0 DCAERM COCc1nc(C(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])cs1 ZINC000262188054 1185163802 /nfs/dbraw/zinc/16/38/02/1185163802.db2.gz TYHCIMKAHKGBJL-CBAPKCEASA-N -1 0 300.336 0.604 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)[C@H]2CCc3ccccc32)nn1 ZINC000262811150 1185172117 /nfs/dbraw/zinc/17/21/17/1185172117.db2.gz OCIYOAYABQXVAN-ZDUSSCGKSA-N -1 0 300.318 0.709 10 0 DCAERM CO[C@@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000263087331 1185175826 /nfs/dbraw/zinc/17/58/26/1185175826.db2.gz MHFMSHQHKIBALZ-ZDUSSCGKSA-N -1 0 303.318 0.631 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](NC(=O)CNC(=O)Cc2ccccc2)C1 ZINC000194466075 1188161096 /nfs/dbraw/zinc/16/10/96/1188161096.db2.gz DULHLGZPHVUQJW-QWHCGFSZSA-N -1 0 304.346 0.715 10 0 DCAERM CN(CCc1nccs1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000688660339 954635185 /nfs/dbraw/zinc/63/51/85/954635185.db2.gz FRJAVOZXLWLZAR-VIFPVBQESA-N -1 0 319.408 0.411 10 0 DCAERM O=C(NC[C@H]1CCCCS1(=O)=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693003402 968922309 /nfs/dbraw/zinc/92/23/09/968922309.db2.gz LNIAEEPZDXESTQ-OPRDCNLKSA-N -1 0 304.368 0.116 10 0 DCAERM CO[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000687193060 976136443 /nfs/dbraw/zinc/13/64/43/976136443.db2.gz IVIGLEGIWQYOFR-HTQZYQBOSA-N -1 0 304.324 0.561 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@@H](C)C1O ZINC000688064312 976164988 /nfs/dbraw/zinc/16/49/88/976164988.db2.gz QLCLZUUHEBDTHK-RNFRBKRXSA-N -1 0 304.324 0.010 10 0 DCAERM C[C@]1(CO)CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000688067647 976165793 /nfs/dbraw/zinc/16/57/93/976165793.db2.gz ROOWWWSXGUIGFT-LBPRGKRZSA-N -1 0 302.352 0.496 10 0 DCAERM COCC(COC)S(=O)(=O)N(CC(=O)[O-])C1CCCC1 ZINC000688583212 976186485 /nfs/dbraw/zinc/18/64/85/976186485.db2.gz BVWLEFLYXVGAEU-UHFFFAOYSA-N -1 0 309.384 0.307 10 0 DCAERM CN(C)C(=O)OCCNC(=O)c1ccsc1CC(=O)[O-] ZINC000689016522 976200522 /nfs/dbraw/zinc/20/05/22/976200522.db2.gz XBGTVFUABKELJA-UHFFFAOYSA-N -1 0 300.336 0.803 10 0 DCAERM Cc1oc(C(=O)[O-])cc1C(=O)NC(C)(C)CS(C)(=O)=O ZINC000689117540 976227300 /nfs/dbraw/zinc/22/73/00/976227300.db2.gz GPCDPKMDEZOCRI-UHFFFAOYSA-N -1 0 303.336 0.839 10 0 DCAERM O=C([O-])C1=CC[C@H](NC(=O)N2CCSC[C@@H]2CCO)C1 ZINC000689329165 976250222 /nfs/dbraw/zinc/25/02/22/976250222.db2.gz UAVCNNMEGQJNAZ-QWRGUYRKSA-N -1 0 300.380 0.669 10 0 DCAERM Cn1nc(Br)cc1CN1CCOC[C@@H]1CC(=O)[O-] ZINC000691604027 976374983 /nfs/dbraw/zinc/37/49/83/976374983.db2.gz GHWKOCXYJQUBLD-VIFPVBQESA-N -1 0 318.171 0.858 10 0 DCAERM CN(C(=O)NCC(C)(C)S(C)(=O)=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693030392 976572454 /nfs/dbraw/zinc/57/24/54/976572454.db2.gz OJIQWQGTJIIXQZ-DTORHVGOSA-N -1 0 306.384 0.314 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)N1CCO[C@@H](C2CC2)C1 ZINC000695343830 976793910 /nfs/dbraw/zinc/79/39/10/976793910.db2.gz OEINWWQTHFYAEV-MRVPVSSYSA-N -1 0 318.376 0.641 10 0 DCAERM O=C([O-])[C@]1(NC(=O)c2ncsc2Br)CCOC1 ZINC000698549152 976891949 /nfs/dbraw/zinc/89/19/49/976891949.db2.gz DMVRCWQAZDDFCO-VIFPVBQESA-N -1 0 321.152 0.879 10 0 DCAERM O=C([O-])CN1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072429692 191162708 /nfs/dbraw/zinc/16/27/08/191162708.db2.gz CYRSUCZZUIDZON-KGLIPLIRSA-N -1 0 324.402 0.054 10 0 DCAERM O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000003804535 181046426 /nfs/dbraw/zinc/04/64/26/181046426.db2.gz GVECSFFLZYNEBO-PDXJTRCTSA-N -1 0 320.297 0.454 10 0 in-vitro DCAERM O=C([O-])CNC(=S)N1C[C@@H]2Cc3cccc(=O)n3[C@@H](C2)C1 ZINC000032919238 304069369 /nfs/dbraw/zinc/06/93/69/304069369.db2.gz QPOQKWVRRXALQA-KOLCDFICSA-N -1 0 307.375 0.227 10 0 DCAERM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263284828 291224257 /nfs/dbraw/zinc/22/42/57/291224257.db2.gz XUUIZEWHDVNDAN-GUBZILKMSA-N -1 0 307.368 0.310 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cn1C ZINC000164856475 291247783 /nfs/dbraw/zinc/24/77/83/291247783.db2.gz SVGCORFVLWVGQB-CABZTGNLSA-N -1 0 301.368 0.650 10 0 DCAERM CCn1cnc(S(=O)(=O)NCC2(CC(=O)[O-])CCC2)c1 ZINC000164940548 291248133 /nfs/dbraw/zinc/24/81/33/291248133.db2.gz VLEIQRBGDLLINW-UHFFFAOYSA-N -1 0 301.368 0.826 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])C[C@@H](C)O1 ZINC000164878709 291248344 /nfs/dbraw/zinc/24/83/44/291248344.db2.gz GTZGHJUCBPJHLF-PRULPYPASA-N -1 0 320.411 0.573 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@H]1C(=O)[O-] ZINC000299900199 291251285 /nfs/dbraw/zinc/25/12/85/291251285.db2.gz NONBTZIVSVEVBM-UKKRHICBSA-N -1 0 306.384 0.135 10 0 DCAERM C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)[C@@H](C)C(=O)[O-] ZINC000263465571 203470413 /nfs/dbraw/zinc/47/04/13/203470413.db2.gz QWZUSVNAJCELCQ-NXEZZACHSA-N -1 0 303.322 0.566 10 0 DCAERM Cc1ccn2c(c1)ncc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c2=O ZINC000263379517 203461853 /nfs/dbraw/zinc/46/18/53/203461853.db2.gz BGCOEVLKBYGSAI-NXEZZACHSA-N -1 0 303.318 0.842 10 0 DCAERM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000282587607 217109317 /nfs/dbraw/zinc/10/93/17/217109317.db2.gz PUYBEPDJHOUAIB-OIBJUYFYSA-N -1 0 304.318 0.910 10 0 DCAERM O=C([O-])CNC(=O)C[C@H]1SC(=O)N(c2ccc(O)cc2)C1=O ZINC000016905777 182064390 /nfs/dbraw/zinc/06/43/90/182064390.db2.gz HQFUQQMTOSVLLA-SECBINFHSA-N -1 0 324.314 0.552 10 0 DCAERM COc1ccc(Cl)cc1C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000019232664 182110375 /nfs/dbraw/zinc/11/03/75/182110375.db2.gz PWGBGKNBAWFHRS-QMMMGPOBSA-N -1 0 300.698 0.407 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1 ZINC000020552040 182230681 /nfs/dbraw/zinc/23/06/81/182230681.db2.gz GJCNGTVQFCXQQL-KWQFWETISA-N -1 0 301.320 0.002 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 ZINC000037455467 182895799 /nfs/dbraw/zinc/89/57/99/182895799.db2.gz RHWZSXXZVNLHFV-OPRDCNLKSA-N -1 0 300.355 0.238 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1cccc(Cl)c1F ZINC000037462057 304203989 /nfs/dbraw/zinc/20/39/89/304203989.db2.gz YDUFUNYUSRYSTD-POYBYMJQSA-N -1 0 323.729 0.688 10 0 DCAERM C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CO2)N(C)CCC(=O)[O-] ZINC000062454812 184237267 /nfs/dbraw/zinc/23/72/67/184237267.db2.gz OPKGDUZBHSMUDA-VIFPVBQESA-N -1 0 306.318 0.995 10 0 DCAERM CC[C@H](C(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000063130858 184272238 /nfs/dbraw/zinc/27/22/38/184272238.db2.gz BAEJRIJOVUEORJ-SNVBAGLBSA-N -1 0 306.361 0.727 10 0 DCAERM O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O ZINC000015050184 395689761 /nfs/dbraw/zinc/68/97/61/395689761.db2.gz KKQKVFGTLWMNBV-YWEYNIOJSA-N -1 0 310.287 0.517 10 0 DCAERM CCOC(=O)c1ccc(CS(=O)(=O)c2nnc(N)[n-]2)cc1 ZINC000008015918 395683778 /nfs/dbraw/zinc/68/37/78/395683778.db2.gz ACDLJFROJCHFHQ-UHFFFAOYSA-N -1 0 310.335 0.538 10 0 DCAERM CCOC(=O)CCS(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000089427283 395711758 /nfs/dbraw/zinc/71/17/58/395711758.db2.gz OOYRDOBBYDSZTJ-NXEZZACHSA-N -1 0 307.368 0.360 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000036983519 395725831 /nfs/dbraw/zinc/72/58/31/395725831.db2.gz IUJUEWPJSDRRNL-RYUDHWBXSA-N -1 0 317.338 0.829 10 0 DCAERM COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1C ZINC000037421196 395727213 /nfs/dbraw/zinc/72/72/13/395727213.db2.gz DOXPFBODBZNPDO-GXSJLCMTSA-N -1 0 315.347 0.212 10 0 DCAERM CCOc1c(=O)c(=O)c1N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000100397007 395763238 /nfs/dbraw/zinc/76/32/38/395763238.db2.gz LDKXSKLHMMIZDV-SNVBAGLBSA-N -1 0 305.286 0.495 10 0 DCAERM COCCN(CCOC)C(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC000111437757 395809023 /nfs/dbraw/zinc/80/90/23/395809023.db2.gz FMQITMZTBLDXKB-UWVGGRQHSA-N -1 0 306.384 0.549 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)N2CCCSCC2)CC1 ZINC000048896294 395823881 /nfs/dbraw/zinc/82/38/81/395823881.db2.gz USVOECMUTGJEDK-UHFFFAOYSA-N -1 0 308.425 0.467 10 0 DCAERM CC(C)(C)OC(=O)CNCCOc1cnc(C(=O)[O-])c(N)n1 ZINC000205792350 395834825 /nfs/dbraw/zinc/83/48/25/395834825.db2.gz HZAQAAAPSJTMQW-UHFFFAOYSA-N -1 0 312.326 0.067 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000133244194 395929286 /nfs/dbraw/zinc/92/92/86/395929286.db2.gz HRLDTOPJPPGSSD-BDAKNGLRSA-N -1 0 314.363 0.434 10 0 DCAERM CCCCN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130833296 395924188 /nfs/dbraw/zinc/92/41/88/395924188.db2.gz NCEYUCMZHLWHCV-JTQLQIEISA-N -1 0 304.372 0.112 10 0 DCAERM COC(=O)c1scc(C)c1S(=O)(=O)NC1(CO)CC1 ZINC000226481548 395865507 /nfs/dbraw/zinc/86/55/07/395865507.db2.gz AKHNGWQXLXJNFT-UHFFFAOYSA-N -1 0 305.377 0.646 10 0 DCAERM COCC[C@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000052785869 395869807 /nfs/dbraw/zinc/86/98/07/395869807.db2.gz VQLKTKSEONPGNI-VIFPVBQESA-N -1 0 309.290 0.733 10 0 DCAERM CC(C)(C)CCS(=O)(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000227768603 395869968 /nfs/dbraw/zinc/86/99/68/395869968.db2.gz FRPCRFIPKUVNMZ-GFCCVEGCSA-N -1 0 303.384 0.036 10 0 DCAERM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000061217137 395966529 /nfs/dbraw/zinc/96/65/29/395966529.db2.gz CBJVFJDVQCAYKO-GARJFASQSA-N -1 0 308.400 0.383 10 0 DCAERM C[C@H]1OCCC[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000276785093 396028375 /nfs/dbraw/zinc/02/83/75/396028375.db2.gz IHSRUIZWUFTSTQ-RNFRBKRXSA-N -1 0 320.396 0.663 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)cn1C ZINC000154527764 396038929 /nfs/dbraw/zinc/03/89/29/396038929.db2.gz IHUNPSNYUIWSOY-UHFFFAOYSA-N -1 0 319.350 0.505 10 0 DCAERM C[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000251871535 396017162 /nfs/dbraw/zinc/01/71/62/396017162.db2.gz UAWULSAUOXOYAI-CIUDSAMLSA-N -1 0 322.408 0.073 10 0 DCAERM O=C([O-])[C@@H]1CCC[C@H](NC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000070572146 396102589 /nfs/dbraw/zinc/10/25/89/396102589.db2.gz BJMCEVNICSZPMN-ZJUUUORDSA-N -1 0 304.368 0.070 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000262375243 396132013 /nfs/dbraw/zinc/13/20/13/396132013.db2.gz XYWUKCLXEWDYLP-CQSZACIVSA-N -1 0 321.358 0.924 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000262993147 396196466 /nfs/dbraw/zinc/19/64/66/396196466.db2.gz LPBQWJDDIJXLAO-MRXNPFEDSA-N -1 0 317.345 0.986 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 ZINC000263095356 396201474 /nfs/dbraw/zinc/20/14/74/396201474.db2.gz QSZZVIXZPKYGQA-HBNTYKKESA-N -1 0 314.382 0.628 10 0 DCAERM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000263169023 396204258 /nfs/dbraw/zinc/20/42/58/396204258.db2.gz JDUAVGZDLBHOIN-SFYZADRCSA-N -1 0 321.786 0.805 10 0 DCAERM CN(C)C(=O)c1ccc(S(=O)(=O)NCC(F)(F)CN)cc1 ZINC000193312778 396448542 /nfs/dbraw/zinc/44/85/42/396448542.db2.gz DSUGJCOUSGHDRN-UHFFFAOYSA-N -1 0 321.349 0.261 10 0 DCAERM O=C([O-])C1=NN=C2C=CC(I)=CN2[C@@H]1O ZINC000585656158 396648205 /nfs/dbraw/zinc/64/82/05/396648205.db2.gz KXCVWBRVXZXYOI-SSDOTTSWSA-N -1 0 319.058 0.306 10 0 DCAERM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000630414364 397015215 /nfs/dbraw/zinc/01/52/15/397015215.db2.gz AUBSDUWSVTYURF-RXMQYKEDSA-N -1 0 315.273 0.533 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)CCC2CCC2)C(=O)[O-])cn1 ZINC000380200569 397269763 /nfs/dbraw/zinc/26/97/63/397269763.db2.gz DUWLIXCBRPVWOZ-NSHDSACASA-N -1 0 301.368 0.655 10 0 DCAERM COCCCS(=O)(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000579460200 397568959 /nfs/dbraw/zinc/56/89/59/397568959.db2.gz ABKMWFWAAVOVCC-UHFFFAOYSA-N -1 0 313.375 0.565 10 0 DCAERM Cn1ncc2c1ncnc2N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000370751795 397520741 /nfs/dbraw/zinc/52/07/41/397520741.db2.gz YGLUPKPZQMKTAU-QMMMGPOBSA-N -1 0 300.326 0.571 10 0 DCAERM CN1CC[C@H](C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000123182850 158226812 /nfs/dbraw/zinc/22/68/12/158226812.db2.gz RVHCCJYBKUFUIN-UONOGXRCSA-N -1 0 318.373 0.915 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000261640630 158725229 /nfs/dbraw/zinc/72/52/29/158725229.db2.gz FQCDGUKLJIVOMN-NEPJUHHUSA-N -1 0 308.378 0.860 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000262139352 158778455 /nfs/dbraw/zinc/77/84/55/158778455.db2.gz LSNUYXDWVUPOFC-GWCFXTLKSA-N -1 0 320.345 0.980 10 0 DCAERM O=C([O-])[C@H](NC(=O)c1ccc2nccn2c1)[C@H]1CCCOC1 ZINC000262832735 158843593 /nfs/dbraw/zinc/84/35/93/158843593.db2.gz REWZRUCRPHBBOH-WCQYABFASA-N -1 0 303.318 0.944 10 0 DCAERM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CNC(=O)c1ccccn1 ZINC000263099589 158856471 /nfs/dbraw/zinc/85/64/71/158856471.db2.gz CSPYGCWKJZGISO-QWRGUYRKSA-N -1 0 305.334 0.523 10 0 DCAERM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263285550 158868902 /nfs/dbraw/zinc/86/89/02/158868902.db2.gz XXUMTHKJMLFBBW-NXEZZACHSA-N -1 0 301.368 0.602 10 0 DCAERM C[C@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263319490 158872494 /nfs/dbraw/zinc/87/24/94/158872494.db2.gz ILKSILVMKXRZQH-BXKDBHETSA-N -1 0 305.334 0.851 10 0 DCAERM Cc1nc([C@@H]2CN(C(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CCO2)no1 ZINC000263569542 158887804 /nfs/dbraw/zinc/88/78/04/158887804.db2.gz ZMLZDWYQYMVDTI-LPEHRKFASA-N -1 0 309.322 0.635 10 0 DCAERM CC(=O)c1csc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000359295589 159263889 /nfs/dbraw/zinc/26/38/89/159263889.db2.gz VWZDTXFSUMTENK-UHFFFAOYSA-N -1 0 314.348 0.725 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408249858 160069063 /nfs/dbraw/zinc/06/90/63/160069063.db2.gz CYTLBTYAPIGCMY-QWHCGFSZSA-N -1 0 318.439 0.733 10 0 DCAERM CC[C@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408446815 160109775 /nfs/dbraw/zinc/10/97/75/160109775.db2.gz RCQMCXNRTADINY-GHMZBOCLSA-N -1 0 315.395 0.739 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1 ZINC000408452835 160110933 /nfs/dbraw/zinc/11/09/33/160110933.db2.gz PZLXORLFBWURRL-JTQLQIEISA-N -1 0 301.368 0.350 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000408459945 160112829 /nfs/dbraw/zinc/11/28/29/160112829.db2.gz ZYLHJVHKYQNZGP-SNVBAGLBSA-N -1 0 304.393 0.274 10 0 DCAERM CC(C)CS(=O)(=O)[N-]C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000408485439 160118305 /nfs/dbraw/zinc/11/83/05/160118305.db2.gz PKVBMMCXSDFLKB-JTQLQIEISA-N -1 0 315.395 0.640 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1ccc2c(c1)OC(F)(F)O2 ZINC000408491194 160119127 /nfs/dbraw/zinc/11/91/27/160119127.db2.gz GHNBLIULQOEACR-UHFFFAOYSA-N -1 0 321.257 0.467 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCO[C@H]2C(C)C)cnn1C ZINC000408488902 160119247 /nfs/dbraw/zinc/11/92/47/160119247.db2.gz ZGDIOTDCLKTHPS-JQWIXIFHSA-N -1 0 315.395 0.595 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C[C@H]1F ZINC000408501751 160120216 /nfs/dbraw/zinc/12/02/16/160120216.db2.gz RDJQAECATICQDG-KCJUWKMLSA-N -1 0 303.315 0.219 10 0 DCAERM Cn1nccc1[C@H](NS(=O)(=O)CCC(C)(C)C)C(=O)[O-] ZINC000402647659 287231858 /nfs/dbraw/zinc/23/18/58/287231858.db2.gz KRCDXAHMFHUTQY-JTQLQIEISA-N -1 0 303.384 0.901 10 0 DCAERM C[C@]1(NC(=O)c2c([O-])cc(F)cc2F)CCS(=O)(=O)C1 ZINC000049450366 415309870 /nfs/dbraw/zinc/30/98/70/415309870.db2.gz RFCOWMUNRNRIJT-LBPRGKRZSA-N -1 0 305.302 0.977 10 0 DCAERM CCOCC(=O)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000359728491 416355527 /nfs/dbraw/zinc/35/55/27/416355527.db2.gz MJJALRKFMZYCHJ-LBPRGKRZSA-N -1 0 300.355 0.337 10 0 DCAERM COC(=O)c1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)n1 ZINC000532793387 416456432 /nfs/dbraw/zinc/45/64/32/416456432.db2.gz PRFNJKZFZVUQKH-VIFPVBQESA-N -1 0 316.321 0.401 10 0 DCAERM CCn1cc(C(=O)NC2(c3nnn[n-]3)CC2)c(C(F)(F)F)n1 ZINC000435889141 416539091 /nfs/dbraw/zinc/53/90/91/416539091.db2.gz RLEQLNWNOYLVJW-UHFFFAOYSA-N -1 0 315.259 0.854 10 0 DCAERM O=C(NCCOCC1CCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000516826244 416746371 /nfs/dbraw/zinc/74/63/71/416746371.db2.gz JJIWVBCCIFDSLK-UHFFFAOYSA-N -1 0 318.333 0.983 10 0 DCAERM CC(=O)c1cccc(CNC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000557016423 416724088 /nfs/dbraw/zinc/72/40/88/416724088.db2.gz ZPIVJCFCRKZANB-UHFFFAOYSA-N -1 0 301.302 0.619 10 0 DCAERM CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1nnn[n-]1 ZINC000616644836 417087673 /nfs/dbraw/zinc/08/76/73/417087673.db2.gz FSYWOAQZKLPVJK-SNVBAGLBSA-N -1 0 312.374 0.488 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408131417 417144168 /nfs/dbraw/zinc/14/41/68/417144168.db2.gz HJNAECIHOVHJKB-DTWKUNHWSA-N -1 0 317.367 0.575 10 0 DCAERM CN(C)CCn1ccc(=NC(=O)N=c2ncn(C(C)(C)C)[n-]2)[nH]1 ZINC000527060139 417208293 /nfs/dbraw/zinc/20/82/93/417208293.db2.gz KPMXVLNMAOAKOD-UHFFFAOYSA-N -1 0 320.401 0.279 10 0 DCAERM O=C([O-])[C@H]1CC[C@H]1C(=O)NCc1n[nH]cc1Br ZINC000634880725 417544643 /nfs/dbraw/zinc/54/46/43/417544643.db2.gz TWYZISNVBDUBAD-RITPCOANSA-N -1 0 302.128 0.899 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1 ZINC000629309003 417776663 /nfs/dbraw/zinc/77/66/63/417776663.db2.gz QEQXEAPCTJJXDR-BDAKNGLRSA-N -1 0 312.338 0.757 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000368652992 277992768 /nfs/dbraw/zinc/99/27/68/277992768.db2.gz PEFFWKQBSDAQCI-ZYHUDNBSSA-N -1 0 320.411 0.418 10 0 DCAERM CCCc1nc(=NC(=O)N[C@@H]2CCc3ncnn3C2)s[n-]1 ZINC000551053466 288222451 /nfs/dbraw/zinc/22/24/51/288222451.db2.gz UXAWNWQKRSKILT-MRVPVSSYSA-N -1 0 307.383 0.641 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC000300299018 288744220 /nfs/dbraw/zinc/74/42/20/288744220.db2.gz OFNWPPCCWMSKRC-KOLCDFICSA-N -1 0 301.368 0.777 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC000261724523 293861677 /nfs/dbraw/zinc/86/16/77/293861677.db2.gz QMKYRMBZBODUBW-MNOVXSKESA-N -1 0 314.382 0.629 10 0 DCAERM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)C1 ZINC000263148212 297213070 /nfs/dbraw/zinc/21/30/70/297213070.db2.gz PBZLPIACLYNFBL-MUQLSNKQSA-N -1 0 317.349 0.916 10 0 DCAERM O=c1nc2[nH]cc(S(=O)(=O)N3CCC34CCC4)cc-2c(=O)[n-]1 ZINC000408416796 304782064 /nfs/dbraw/zinc/78/20/64/304782064.db2.gz WHGYEHLUVVFZSF-UHFFFAOYSA-N -1 0 322.346 0.753 10 0 DCAERM CCCN(CCC)S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000037420125 337363782 /nfs/dbraw/zinc/36/37/82/337363782.db2.gz OXOGHZGSPDEBPB-LLVKDONJSA-N -1 0 318.399 0.362 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)Cn1cnc2ccccc2c1=O ZINC000237510697 524443120 /nfs/dbraw/zinc/44/31/20/524443120.db2.gz KEPJFBKNFCYGBG-JTQLQIEISA-N -1 0 303.318 0.766 10 0 DCAERM C[C@H](CO)[C@H](C)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000126765271 524568630 /nfs/dbraw/zinc/56/86/30/524568630.db2.gz YXPMBBMXHWFKQO-ZJUUUORDSA-N -1 0 321.402 0.818 10 0 DCAERM NC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000675056441 547658690 /nfs/dbraw/zinc/65/86/90/547658690.db2.gz QEWNIPVGXYUODO-VXGBXAGGSA-N -1 0 306.318 0.974 10 0 DCAERM C[C@H](C(=O)[O-])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000675077174 547658834 /nfs/dbraw/zinc/65/88/34/547658834.db2.gz ZOFVSYRDOIGMOV-DGHBSWOJSA-N -1 0 303.380 0.568 10 0 DCAERM C[C@@H](C(=O)[O-])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000675077175 547659251 /nfs/dbraw/zinc/65/92/51/547659251.db2.gz ZOFVSYRDOIGMOV-DKSIWQDXSA-N -1 0 303.380 0.568 10 0 DCAERM CS[C@@H]1CC[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000235156889 657520567 /nfs/dbraw/zinc/52/05/67/657520567.db2.gz AUIIUQBKYCEHAA-NKWVEPMBSA-N -1 0 305.381 0.670 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000180106184 658956320 /nfs/dbraw/zinc/95/63/20/658956320.db2.gz XBLKSBCTGIOPNN-STQMWFEESA-N -1 0 322.386 0.897 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)ccn1C ZINC000194910977 659522133 /nfs/dbraw/zinc/52/21/33/659522133.db2.gz RGHBLHBHYSJBEH-UHFFFAOYSA-N -1 0 316.770 0.839 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)CNS(=O)(=O)c1cccs1 ZINC000262135788 662104076 /nfs/dbraw/zinc/10/40/76/662104076.db2.gz LDLDDGATCNBKQI-MRVPVSSYSA-N -1 0 320.392 0.396 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CNC(=O)c2ccccc2)C1 ZINC000263178469 662649139 /nfs/dbraw/zinc/64/91/39/662649139.db2.gz WTPIRWVZIVLPCU-QWHCGFSZSA-N -1 0 320.345 0.507 10 0 DCAERM O=C([O-])CCNC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000263276226 662667593 /nfs/dbraw/zinc/66/75/93/662667593.db2.gz SHWGXFKENVSHHG-LBPRGKRZSA-N -1 0 311.382 0.942 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cn2ccnc2s1 ZINC000190848519 664518074 /nfs/dbraw/zinc/51/80/74/664518074.db2.gz MRZKSKILHKHXRP-MRVPVSSYSA-N -1 0 315.376 0.634 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC[C@H]1CCSC1 ZINC000704872972 667264133 /nfs/dbraw/zinc/26/41/33/667264133.db2.gz YCDWCHQIIYOMLQ-UWVGGRQHSA-N -1 0 308.425 0.513 10 0 DCAERM CC(=O)N1CSC[C@H]1C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000448996145 667265999 /nfs/dbraw/zinc/26/59/99/667265999.db2.gz RIVANIYBZJHRSN-GXFFZTMASA-N -1 0 302.396 0.913 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCCc2ccns2)C1 ZINC000709866908 667445936 /nfs/dbraw/zinc/44/59/36/667445936.db2.gz ABZLVQRCYWWDTR-VIFPVBQESA-N -1 0 319.408 0.317 10 0 DCAERM Cc1cc(C)c(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC000886096953 667731951 /nfs/dbraw/zinc/73/19/51/667731951.db2.gz PVVNJSSCWSRAEU-INIZCTEOSA-N -1 0 322.361 0.898 10 0 DCAERM Cc1c[nH]cc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886097279 667732060 /nfs/dbraw/zinc/73/20/60/667732060.db2.gz YTRDVFCVKDWKTL-OAHLLOKOSA-N -1 0 307.350 0.325 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCCCC1)c1cnn2c1CCCC2 ZINC000125658607 668395341 /nfs/dbraw/zinc/39/53/41/668395341.db2.gz JMGCFQBYRCYQLY-UHFFFAOYSA-N -1 0 312.395 0.680 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])C(=O)c1sccc1OC ZINC000715777165 670221601 /nfs/dbraw/zinc/22/16/01/670221601.db2.gz FUAXAANWQCHMBV-UHFFFAOYSA-N -1 0 301.320 0.847 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@H]1C ZINC000195253601 670476443 /nfs/dbraw/zinc/47/64/43/670476443.db2.gz ZSYRSWDTNLLXGV-GMSGAONNSA-N -1 0 302.352 0.769 10 0 DCAERM O=C([O-])[C@@H](Cc1cncs1)NS(=O)(=O)CC1CCC1 ZINC000718996883 685306421 /nfs/dbraw/zinc/30/64/21/685306421.db2.gz ZWKHGIOLCYNISK-SNVBAGLBSA-N -1 0 304.393 0.858 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCO1 ZINC000720406382 685313716 /nfs/dbraw/zinc/31/37/16/685313716.db2.gz AEKKVUKQBJOURM-WDEREUQCSA-N -1 0 306.384 0.139 10 0 DCAERM Cc1sc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1C ZINC000722572887 685319774 /nfs/dbraw/zinc/31/97/74/685319774.db2.gz NIICPQSXGJKABO-ZJUUUORDSA-N -1 0 319.404 0.882 10 0 DCAERM CN(CCCC(=O)[O-])C(=O)CCn1nc2ccccn2c1=O ZINC000237261896 1180895590 /nfs/dbraw/zinc/89/55/90/1180895590.db2.gz MQLNDOTXTOSTHR-UHFFFAOYSA-N -1 0 306.322 0.209 10 0 DCAERM O=C([O-])C1(NC(=O)c2cnc3ccccn3c2=O)CCCC1 ZINC000237992605 1181310159 /nfs/dbraw/zinc/31/01/59/1181310159.db2.gz HRRAZMODCASPQR-UHFFFAOYSA-N -1 0 301.302 0.822 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc3c2OCCO3)C1 ZINC000261709371 1184906806 /nfs/dbraw/zinc/90/68/06/1184906806.db2.gz OZESTKMFDRMAQQ-MWLCHTKSSA-N -1 0 307.302 0.772 10 0 DCAERM COc1cccc(CCC(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000261841454 1185159928 /nfs/dbraw/zinc/15/99/28/1185159928.db2.gz ITORBGJJUJKZTC-UHFFFAOYSA-N -1 0 318.333 0.620 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC000262083844 1185161122 /nfs/dbraw/zinc/16/11/22/1185161122.db2.gz BNNSFZHWFMCCSU-YPMHNXCESA-N -1 0 318.329 0.343 10 0 DCAERM Cc1cccc(C)c1CC(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262800690 1185172338 /nfs/dbraw/zinc/17/23/38/1185172338.db2.gz MKJHHKJAFPGSHP-UHFFFAOYSA-N -1 0 302.334 0.838 10 0 DCAERM CCS[C@H](C(=O)NCc1cn(CC(=O)[O-])nn1)C(C)C ZINC000262855839 1185174279 /nfs/dbraw/zinc/17/42/79/1185174279.db2.gz YAMHVCBLNWKEJM-NSHDSACASA-N -1 0 300.384 0.757 10 0 DCAERM CO[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000263152428 1185177053 /nfs/dbraw/zinc/17/70/53/1185177053.db2.gz XFTDZSLSDMPTLP-COPLHBTASA-N -1 0 321.329 0.777 10 0 DCAERM CCn1nccc1N1CCC[C@@H](NC(=O)[C@H](C)C(=O)[O-])C1=O ZINC000263543356 1185180034 /nfs/dbraw/zinc/18/00/34/1185180034.db2.gz FFAOYJKDGKMMRA-VHSXEESVSA-N -1 0 308.338 0.235 10 0 DCAERM CC[C@H](C)C[C@@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000400467906 772729672 /nfs/dbraw/zinc/72/96/72/772729672.db2.gz VQXBXALAGYVTSK-VHSXEESVSA-N -1 0 309.384 0.748 10 0 DCAERM CCCN(CC(C)(C)O)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000691002474 954678647 /nfs/dbraw/zinc/67/86/47/954678647.db2.gz IDQGPHKAEYZHSH-JTQLQIEISA-N -1 0 308.400 0.263 10 0 DCAERM C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000688097699 976169186 /nfs/dbraw/zinc/16/91/86/976169186.db2.gz YPNFCMNEYVROIW-GZMMTYOYSA-N -1 0 302.352 0.637 10 0 DCAERM O=C([O-])c1ccnc(S(=O)(=O)N(CCO)CC2CC2)c1 ZINC000688368934 976176889 /nfs/dbraw/zinc/17/68/89/976176889.db2.gz IFOVNGRBKHKHIF-UHFFFAOYSA-N -1 0 300.336 0.173 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)N(C)CCc1nccs1 ZINC000688642803 976188666 /nfs/dbraw/zinc/18/86/66/976188666.db2.gz XIYUSCZMCHYFTL-UHFFFAOYSA-N -1 0 307.397 0.269 10 0 DCAERM CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000689229140 976244120 /nfs/dbraw/zinc/24/41/20/976244120.db2.gz FLAWMVKXDGGQOC-SFYZADRCSA-N -1 0 320.392 0.623 10 0 DCAERM CCSC1(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC000691821468 976384081 /nfs/dbraw/zinc/38/40/81/976384081.db2.gz NPRIGNCXEAQLFD-UWVGGRQHSA-N -1 0 302.396 0.749 10 0 DCAERM C[C@@H]1CN(C(=O)CN(CC(=O)[O-])Cc2ccccc2)CCO1 ZINC000692413771 976455145 /nfs/dbraw/zinc/45/51/45/976455145.db2.gz ABNIBERKOZTWNO-CYBMUJFWSA-N -1 0 306.362 0.821 10 0 DCAERM O=C([O-])C1=CC[C@H](NC(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000694956939 976756957 /nfs/dbraw/zinc/75/69/57/976756957.db2.gz YRCONSDQGXRGDL-UWVGGRQHSA-N -1 0 302.352 0.036 10 0 DCAERM CSCC[C@H](NC(N)=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000694983490 976764067 /nfs/dbraw/zinc/76/40/67/976764067.db2.gz DETVKQZAQCGPSP-BDAKNGLRSA-N -1 0 301.368 0.066 10 0 DCAERM CNC(=O)c1cccc(CCNC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000261980271 290633982 /nfs/dbraw/zinc/63/39/82/290633982.db2.gz BZSSHZYHTJMDKY-STQMWFEESA-N -1 0 304.346 0.816 10 0 DCAERM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1 ZINC000071754647 191025115 /nfs/dbraw/zinc/02/51/15/191025115.db2.gz XWATUFCRKYOGHV-JTQLQIEISA-N -1 0 304.755 0.387 10 0 DCAERM CC[C@H]1CCCCN1c1ccn2c(nn(CC(=O)[O-])c2=O)n1 ZINC000073668321 191340102 /nfs/dbraw/zinc/34/01/02/191340102.db2.gz DTFWOPKNXYYTCZ-JTQLQIEISA-N -1 0 305.338 0.745 10 0 DCAERM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262890813 283431638 /nfs/dbraw/zinc/43/16/38/283431638.db2.gz HVVMQLACOFGNDY-VHSXEESVSA-N -1 0 324.374 0.120 10 0 DCAERM O=C([O-])C1(CNS(=O)(=O)N2CCCCC2)CCOCC1 ZINC000165948511 291249048 /nfs/dbraw/zinc/24/90/48/291249048.db2.gz ZYPWXCQLDLMXQP-UHFFFAOYSA-N -1 0 306.384 0.188 10 0 DCAERM NC(=O)C[C@H](NC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000019432901 182123292 /nfs/dbraw/zinc/12/32/92/182123292.db2.gz MYDHCDKMOGHMCF-QMMMGPOBSA-N -1 0 315.123 0.508 10 0 DCAERM O=C([O-])Cc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 ZINC000019766794 182144420 /nfs/dbraw/zinc/14/44/20/182144420.db2.gz JASTYRUEBHWMST-ZDUSSCGKSA-N -1 0 318.329 0.278 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000020311201 182205822 /nfs/dbraw/zinc/20/58/22/182205822.db2.gz VMBSRDMMMOZJMP-WCBMZHEXSA-N -1 0 305.739 0.549 10 0 DCAERM Nn1c(SCC(=O)[O-])nnc1[C@H]1COc2ccccc2O1 ZINC000020303783 182204302 /nfs/dbraw/zinc/20/43/02/182204302.db2.gz NNNJKGRITJDDIG-SECBINFHSA-N -1 0 308.319 0.681 10 0 DCAERM COc1cc(OC)cc(-c2nnc(SCC(=O)[O-])n2N)c1 ZINC000020304279 182204503 /nfs/dbraw/zinc/20/45/03/182204503.db2.gz CRHIZJWTONPHRX-UHFFFAOYSA-N -1 0 310.335 0.853 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000021514845 182277588 /nfs/dbraw/zinc/27/75/88/182277588.db2.gz IEZAYPNBPDCTAC-ONGXEEELSA-N -1 0 303.311 0.688 10 0 DCAERM NC(=O)C[C@H](NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000022218296 182313763 /nfs/dbraw/zinc/31/37/63/182313763.db2.gz OXIJOHUDYBKWIG-BYPYZUCNSA-N -1 0 305.084 0.101 10 0 DCAERM COc1ccc(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O ZINC000036967174 182856160 /nfs/dbraw/zinc/85/61/60/182856160.db2.gz ZXWNXQYCNXJADN-LDYMZIIASA-N -1 0 303.336 0.116 10 0 DCAERM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2 ZINC000037413387 182890347 /nfs/dbraw/zinc/89/03/47/182890347.db2.gz ZAPHKADRPGVFEQ-YUMQZZPRSA-N -1 0 312.347 0.884 10 0 DCAERM Cc1ncc(CN(CC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)s1 ZINC000062336994 184231014 /nfs/dbraw/zinc/23/10/14/184231014.db2.gz JFCDLCSJQVXVQM-SECBINFHSA-N -1 0 304.393 0.525 10 0 DCAERM CC(=O)Nc1cnc(N(C)C[C@@H]2COCCO2)c(C(=O)[O-])c1 ZINC000064978862 184307560 /nfs/dbraw/zinc/30/75/60/184307560.db2.gz GUURONKDIGCWSR-LLVKDONJSA-N -1 0 309.322 0.590 10 0 DCAERM COc1ccccc1OC[C@H](COC(N)=O)OS(=O)(=O)[O-] ZINC000065743196 184378415 /nfs/dbraw/zinc/37/84/15/184378415.db2.gz JCBYXDAKMMVIMR-MRVPVSSYSA-N -1 0 321.307 0.357 10 0 in-vitro DCAERM C[C@@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)[C@H]1C(=O)[O-] ZINC000300296336 296370225 /nfs/dbraw/zinc/37/02/25/296370225.db2.gz BNCFMAUJMKFYSK-CKYFFXLPSA-N -1 0 303.380 0.523 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cn1C ZINC000085327528 395699882 /nfs/dbraw/zinc/69/98/82/395699882.db2.gz RAIMPLADLQBIOV-VHSXEESVSA-N -1 0 301.368 0.650 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cccc(Cl)c1F ZINC000040396339 395733623 /nfs/dbraw/zinc/73/36/23/395733623.db2.gz YDUFUNYUSRYSTD-XPUUQOCRSA-N -1 0 323.729 0.688 10 0 DCAERM C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000111434763 395809054 /nfs/dbraw/zinc/80/90/54/395809054.db2.gz UAWULSAUOXOYAI-DJLDLDEBSA-N -1 0 322.408 0.073 10 0 DCAERM Cc1ncsc1CN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000111666958 395811554 /nfs/dbraw/zinc/81/15/54/395811554.db2.gz BVXLFJYSOIKSPP-UHFFFAOYSA-N -1 0 316.364 0.694 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000125609133 395905027 /nfs/dbraw/zinc/90/50/27/395905027.db2.gz SJGFNKDMIWBCAW-VHSXEESVSA-N -1 0 307.368 0.455 10 0 DCAERM Cn1ccnc1-c1cc(NC(=O)CCCS(C)(=O)=O)n[nH]1 ZINC000119802763 395875735 /nfs/dbraw/zinc/87/57/35/395875735.db2.gz ZTGBTTCUSYCKRT-UHFFFAOYSA-N -1 0 311.367 0.574 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCS1 ZINC000137121455 395950028 /nfs/dbraw/zinc/95/00/28/395950028.db2.gz JXIZOZGNFPIBSI-UWVGGRQHSA-N -1 0 308.425 0.465 10 0 DCAERM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000061217135 395966604 /nfs/dbraw/zinc/96/66/04/395966604.db2.gz CBJVFJDVQCAYKO-MXWKQRLJSA-N -1 0 308.400 0.383 10 0 DCAERM O=C([O-])c1cc(NC(=O)C(=S)N2CCOCC2)ccc1O ZINC000256030882 396033636 /nfs/dbraw/zinc/03/36/36/396033636.db2.gz UHBCMYZNZLIIKX-UHFFFAOYSA-N -1 0 310.331 0.689 10 0 DCAERM O=c1[n-]cnc(N[C@H]2CCCOC2)c1I ZINC000165262687 396087455 /nfs/dbraw/zinc/08/74/55/396087455.db2.gz CHUQZBSXROGICF-LURJTMIESA-N -1 0 321.118 0.965 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070556085 396102926 /nfs/dbraw/zinc/10/29/26/396102926.db2.gz QMARFUAXKQLCKV-GHMZBOCLSA-N -1 0 315.395 0.959 10 0 DCAERM Cc1nc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)cn1C ZINC000263190615 396205087 /nfs/dbraw/zinc/20/50/87/396205087.db2.gz LEUAMTXHHTUJBC-PSASIEDQSA-N -1 0 301.368 0.602 10 0 DCAERM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cncc(F)c1 ZINC000262988651 396196270 /nfs/dbraw/zinc/19/62/70/396196270.db2.gz SECMVMAAWFWOSQ-SNVBAGLBSA-N -1 0 323.324 0.616 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263312736 396213869 /nfs/dbraw/zinc/21/38/69/396213869.db2.gz IFVBJRNTVWYPET-GMTAPVOTSA-N -1 0 314.407 0.867 10 0 DCAERM COCCCN(CCO)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263478416 396218153 /nfs/dbraw/zinc/21/81/53/396218153.db2.gz NFZBKXBEEVOIHT-UHFFFAOYSA-N -1 0 310.350 0.925 10 0 DCAERM C[C@@H](C(=O)[O-])S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000536957114 396609796 /nfs/dbraw/zinc/60/97/96/396609796.db2.gz BYXRWMSKGGIKOB-JTQLQIEISA-N -1 0 315.347 0.801 10 0 DCAERM CC[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1nccs1 ZINC000564920898 396899034 /nfs/dbraw/zinc/89/90/34/396899034.db2.gz QDXGCWANBQRKCZ-IUCAKERBSA-N -1 0 319.408 0.978 10 0 DCAERM Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)oc1C(=O)[O-] ZINC000630103085 396941553 /nfs/dbraw/zinc/94/15/53/396941553.db2.gz NKJRMSLVGUPNAV-LBPRGKRZSA-N -1 0 301.320 0.593 10 0 DCAERM O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCOCC2)N1Cc1ccccc1 ZINC000630648538 397069973 /nfs/dbraw/zinc/06/99/73/397069973.db2.gz FNCPQMLITCBFGM-GJZGRUSLSA-N -1 0 318.373 0.963 10 0 DCAERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]1C(=O)[O-] ZINC000384581202 397281108 /nfs/dbraw/zinc/28/11/08/397281108.db2.gz WWNOABAFNHCXGO-SECBINFHSA-N -1 0 300.292 0.751 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408388515 397355802 /nfs/dbraw/zinc/35/58/02/397355802.db2.gz DJMSSXMBTMXHNQ-AXFHLTTASA-N -1 0 313.379 0.267 10 0 DCAERM C[C@]1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCCNC1=O ZINC000329082101 159059271 /nfs/dbraw/zinc/05/92/71/159059271.db2.gz SDOHVHZXKGWWKF-XPTSAGLGSA-N -1 0 307.354 0.973 10 0 DCAERM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)nc1C ZINC000408127898 160042706 /nfs/dbraw/zinc/04/27/06/160042706.db2.gz YPXYRYKWBGFOED-NSHDSACASA-N -1 0 313.379 0.640 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408132944 160044187 /nfs/dbraw/zinc/04/41/87/160044187.db2.gz MWEXWSBLACLAIH-IJLUTSLNSA-N -1 0 305.396 0.817 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000408450369 160110626 /nfs/dbraw/zinc/11/06/26/160110626.db2.gz IZYLTNOVBIMAPF-LBPRGKRZSA-N -1 0 304.412 0.486 10 0 DCAERM CO[C@]1(C(=O)[N-]S(=O)(=O)c2cc(C)oc2C)CCOC1 ZINC000408476430 160116389 /nfs/dbraw/zinc/11/63/89/160116389.db2.gz ADQZMZLZTRRYHD-GFCCVEGCSA-N -1 0 303.336 0.507 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccs2)CCC(=O)NC1 ZINC000408478749 160116935 /nfs/dbraw/zinc/11/69/35/160116935.db2.gz RZCAPBJTWYVRLG-LLVKDONJSA-N -1 0 302.377 0.469 10 0 DCAERM Cc1ccc2c(c1)CC[C@@H](C(=O)[N-]S(=O)(=O)C1COC1)O2 ZINC000408476774 160117080 /nfs/dbraw/zinc/11/70/80/160117080.db2.gz MOOFEAFFNRINDL-ZDUSSCGKSA-N -1 0 311.359 0.533 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000408479939 160117666 /nfs/dbraw/zinc/11/76/66/160117666.db2.gz VAHHUOXGNYTVNS-UKRRQHHQSA-N -1 0 307.371 0.735 10 0 DCAERM CC(C)[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408487756 160119094 /nfs/dbraw/zinc/11/90/94/160119094.db2.gz WSZOIGRDLZEPIJ-UTUOFQBUSA-N -1 0 305.396 0.673 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)C[C@H]1F ZINC000408495836 160119625 /nfs/dbraw/zinc/11/96/25/160119625.db2.gz FOYUJFSIJKSMGP-ZYHUDNBSSA-N -1 0 301.295 0.968 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)[C@H]2OCC[C@H]2C)sc1C ZINC000408496278 160119702 /nfs/dbraw/zinc/11/97/02/160119702.db2.gz KAKVTLSMVJHCIE-MUWHJKNJSA-N -1 0 304.393 0.990 10 0 DCAERM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)c2C1 ZINC000408494609 160119782 /nfs/dbraw/zinc/11/97/82/160119782.db2.gz CMPYZOGYGQELNS-VIFPVBQESA-N -1 0 323.378 0.318 10 0 DCAERM CC(C)[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000251667516 287119491 /nfs/dbraw/zinc/11/94/91/287119491.db2.gz LHUMRUORVSFGPV-GMTAPVOTSA-N -1 0 308.400 0.287 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)[C@H]1C(=O)[O-] ZINC000300703463 287141441 /nfs/dbraw/zinc/14/14/41/287141441.db2.gz YTDNUWIQPXFYMY-HTRCEHHLSA-N -1 0 307.759 0.557 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000037463337 415190507 /nfs/dbraw/zinc/19/05/07/415190507.db2.gz YEVSPAOCINBRLQ-DDHJBXDOSA-N -1 0 320.411 0.383 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000133473074 415947294 /nfs/dbraw/zinc/94/72/94/415947294.db2.gz PYJFFANZGMTSCM-ZJUUUORDSA-N -1 0 301.368 0.836 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cn1C ZINC000174002802 416072003 /nfs/dbraw/zinc/07/20/03/416072003.db2.gz MOFGLRAOQIGIMY-CMPLNLGQSA-N -1 0 300.428 0.736 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000213825741 416327041 /nfs/dbraw/zinc/32/70/41/416327041.db2.gz DTWKEOZQBQPNML-LOWVWBTDSA-N -1 0 320.411 0.670 10 0 DCAERM Cc1nc(=NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)s[n-]1 ZINC000360988369 416417859 /nfs/dbraw/zinc/41/78/59/416417859.db2.gz YOAXSIORPQPDMM-CQSZACIVSA-N -1 0 317.374 0.935 10 0 DCAERM COc1ccc(OC)c(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000434864216 416501409 /nfs/dbraw/zinc/50/14/09/416501409.db2.gz GUFJUVJFKDGYGL-UHFFFAOYSA-N -1 0 305.290 0.755 10 0 DCAERM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc(N3CCC3=O)cc2)O1 ZINC000540616822 416592275 /nfs/dbraw/zinc/59/22/75/416592275.db2.gz NJSYEIGUELOGSS-RYUDHWBXSA-N -1 0 304.302 0.994 10 0 DCAERM Cc1nc(C)c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)nc1C ZINC000545239512 416669856 /nfs/dbraw/zinc/66/98/56/416669856.db2.gz SLTHKSRMDLEXFK-NSHDSACASA-N -1 0 301.354 0.935 10 0 DCAERM CC(C)C[C@@H](C)OCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000446862067 416950187 /nfs/dbraw/zinc/95/01/87/416950187.db2.gz OUJAYAINPDQGLF-SECBINFHSA-N -1 0 318.399 0.988 10 0 DCAERM COCCN(Cc1ccccc1)C(=O)NCCOCC(=O)[O-] ZINC000384435919 417089250 /nfs/dbraw/zinc/08/92/50/417089250.db2.gz ZGQKUPYGSBKVTP-UHFFFAOYSA-N -1 0 310.350 0.946 10 0 DCAERM O=C([O-])c1csc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c1 ZINC000403150234 417115964 /nfs/dbraw/zinc/11/59/64/417115964.db2.gz ZBIYPXOLQLFFBK-LLVKDONJSA-N -1 0 321.376 0.266 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CO1 ZINC000408428226 417162413 /nfs/dbraw/zinc/16/24/13/417162413.db2.gz TUYZHXJSFLNGOO-JTQLQIEISA-N -1 0 321.395 0.401 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2ccccc2[O-])CCS1(=O)=O ZINC000632627037 417202141 /nfs/dbraw/zinc/20/21/41/417202141.db2.gz ZUVOURDJEPOQKT-VIFPVBQESA-N -1 0 305.377 0.200 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@H]2CC2(F)F)C1 ZINC000622039939 417377848 /nfs/dbraw/zinc/37/78/48/417377848.db2.gz YVWKPKSRIXXQSI-BDAKNGLRSA-N -1 0 312.338 0.663 10 0 DCAERM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000530152229 417544745 /nfs/dbraw/zinc/54/47/45/417544745.db2.gz IGQQSGBJCWSTBI-AYHNYZOXSA-N -1 0 303.340 0.198 10 0 DCAERM C/C=C\C[C@H](NC(=O)NCc1nnc2n1CCCC2)C(=O)[O-] ZINC000575241674 417523184 /nfs/dbraw/zinc/52/31/84/417523184.db2.gz DTEUUBSIFUYTRD-ZMWSMAPVSA-N -1 0 307.354 0.833 10 0 DCAERM CC(=O)N1CCC(NS(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000631678959 417919272 /nfs/dbraw/zinc/91/92/72/417919272.db2.gz HGRSNZAHLIGPAJ-UHFFFAOYSA-N -1 0 316.354 0.821 10 0 DCAERM CCO[C@H]1C[C@](NC(=O)NCCCOC)(C(=O)[O-])C1(C)C ZINC000515747925 287657748 /nfs/dbraw/zinc/65/77/48/287657748.db2.gz HARGJLBXJVKKNS-HZMBPMFUSA-N -1 0 302.371 0.981 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000547562070 288058551 /nfs/dbraw/zinc/05/85/51/288058551.db2.gz HFCRJMLOCIIFRA-KOLCDFICSA-N -1 0 302.352 0.594 10 0 DCAERM CC(=O)N[C@@H](C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1)C(C)C ZINC000552016572 288259224 /nfs/dbraw/zinc/25/92/24/288259224.db2.gz STHCPFXJSDEUNT-LLVKDONJSA-N -1 0 309.370 0.377 10 0 DCAERM NC(=O)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000555556412 288355193 /nfs/dbraw/zinc/35/51/93/288355193.db2.gz QZLBCJMSTCLDLS-NSHDSACASA-N -1 0 315.333 0.629 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000262554232 293863530 /nfs/dbraw/zinc/86/35/30/293863530.db2.gz SZYRVPRWEOIFBJ-KOLCDFICSA-N -1 0 320.301 0.332 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2CC(=O)[O-])C[C@@H](C)O1 ZINC000038027033 297047419 /nfs/dbraw/zinc/04/74/19/297047419.db2.gz VSDOBAPDTLLQGV-IJLUTSLNSA-N -1 0 320.411 0.670 10 0 DCAERM CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262275408 295549481 /nfs/dbraw/zinc/54/94/81/295549481.db2.gz YSVVKUCLWFJLFI-XHNCKOQMSA-N -1 0 307.393 0.043 10 0 DCAERM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)Cc2ccccc2O1 ZINC000294183142 300206282 /nfs/dbraw/zinc/20/62/82/300206282.db2.gz MWDOKTMVIDZPKK-JTQLQIEISA-N -1 0 315.329 0.909 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccs2)C1 ZINC000388714518 333149594 /nfs/dbraw/zinc/14/95/94/333149594.db2.gz GVNBHJXMZYIMFM-LLVKDONJSA-N -1 0 305.377 0.860 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C)C[C@H](C)O1 ZINC000035390771 337344313 /nfs/dbraw/zinc/34/43/13/337344313.db2.gz CTWMDWZPRRUKGK-GUBZILKMSA-N -1 0 308.400 0.429 10 0 DCAERM CCN(C(=O)c1cc(C(=O)[O-])co1)[C@@H](C)CS(C)(=O)=O ZINC000262357157 520060807 /nfs/dbraw/zinc/06/08/07/520060807.db2.gz HOBPSUTUIVMDTA-QMMMGPOBSA-N -1 0 303.336 0.873 10 0 DCAERM CN1C[C@@H](C(=O)NCCc2nc(=O)o[n-]2)Cc2ccccc21 ZINC000366059056 524006397 /nfs/dbraw/zinc/00/63/97/524006397.db2.gz JLVNUEOAXSGBMQ-NSHDSACASA-N -1 0 302.334 0.330 10 0 DCAERM Cc1nn(C)c(C)c1CCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000188171573 534813961 /nfs/dbraw/zinc/81/39/61/534813961.db2.gz PJJFCYWLULEPGR-STQMWFEESA-N -1 0 309.366 0.718 10 0 DCAERM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000262867403 526183618 /nfs/dbraw/zinc/18/36/18/526183618.db2.gz FTSNFULLLXGGLX-DGCLKSJQSA-N -1 0 304.346 0.967 10 0 DCAERM O=C([O-])[C@H](CF)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000262945522 526301985 /nfs/dbraw/zinc/30/19/85/526301985.db2.gz MLDBBBWLMMMUKN-NSHDSACASA-N -1 0 307.281 0.708 10 0 DCAERM Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000237412373 526792906 /nfs/dbraw/zinc/79/29/06/526792906.db2.gz AMRGQNUMDAKMKX-SSDOTTSWSA-N -1 0 307.306 0.818 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000238854757 545960232 /nfs/dbraw/zinc/96/02/32/545960232.db2.gz PEALVXOURMTWLW-KOLCDFICSA-N -1 0 303.311 0.424 10 0 DCAERM Cc1ccc([S@](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000675060901 547659266 /nfs/dbraw/zinc/65/92/66/547659266.db2.gz NEDVYOUEDPCHRZ-UHFFFAOYSA-N -1 0 305.377 0.597 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC000399226669 660947122 /nfs/dbraw/zinc/94/71/22/660947122.db2.gz XPIRRNNVLKACHV-MRVPVSSYSA-N -1 0 307.759 0.605 10 0 DCAERM COC(C)(C)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262252259 658894395 /nfs/dbraw/zinc/89/43/95/658894395.db2.gz VOYMHWBHPHKWPI-SNVBAGLBSA-N -1 0 300.355 0.193 10 0 DCAERM CSCCCC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262149621 662116257 /nfs/dbraw/zinc/11/62/57/662116257.db2.gz TWNRYJFFZSHHCB-UHFFFAOYSA-N -1 0 316.423 0.911 10 0 DCAERM CN1N=C(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])CCC1=O ZINC000262233476 662186137 /nfs/dbraw/zinc/18/61/37/662186137.db2.gz XBDKRJCERSRKJQ-SNVBAGLBSA-N -1 0 313.354 0.369 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000263366582 662678484 /nfs/dbraw/zinc/67/84/84/662678484.db2.gz AFKYEZHKWFTLMF-OAHLLOKOSA-N -1 0 315.333 0.671 10 0 DCAERM COC[C@H](O)CNC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263508445 662704276 /nfs/dbraw/zinc/70/42/76/662704276.db2.gz XXHFDZWMFDCTMM-ZIAGYGMSSA-N -1 0 324.377 0.769 10 0 DCAERM O=C([O-])[C@@H]1[C@@H]2CCN(S(=O)(=O)c3cncc(F)c3)C[C@@H]21 ZINC000721254263 662910410 /nfs/dbraw/zinc/91/04/10/662910410.db2.gz IFKJYXGMGAYZMV-OUAUKWLOSA-N -1 0 300.311 0.562 10 0 DCAERM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)C1CCCCC1 ZINC000733686128 666801499 /nfs/dbraw/zinc/80/14/99/666801499.db2.gz JQHVSGKVIBAOPJ-LLVKDONJSA-N -1 0 305.396 0.961 10 0 DCAERM CC[S@@](=O)CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000735116271 666956169 /nfs/dbraw/zinc/95/61/69/666956169.db2.gz FXXGVEOBFGSHTM-OAQYLSRUSA-N -1 0 309.347 0.528 10 0 DCAERM CO[C@](C)(CO)CNS(=O)(=O)c1ccc(Cl)nc1F ZINC000702554611 666969278 /nfs/dbraw/zinc/96/92/78/666969278.db2.gz BTZGVIFRHVONQF-JTQLQIEISA-N -1 0 312.750 0.550 10 0 DCAERM C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000186185655 667345323 /nfs/dbraw/zinc/34/53/23/667345323.db2.gz LFVWHBCUBWSFFP-VIFPVBQESA-N -1 0 313.379 0.531 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000709076771 667443884 /nfs/dbraw/zinc/44/38/84/667443884.db2.gz QSDOKKUMCZVRPF-SECBINFHSA-N -1 0 318.317 0.912 10 0 DCAERM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)O1 ZINC000123727522 667842998 /nfs/dbraw/zinc/84/29/98/667842998.db2.gz IAQJWZMGLMUZTG-NKWVEPMBSA-N -1 0 307.759 0.446 10 0 DCAERM CC[C@H](NC(=O)NCc1nn(C)cc1Br)C(=O)[O-] ZINC000393450084 685264518 /nfs/dbraw/zinc/26/45/18/685264518.db2.gz SQYQOSSJGPBNFU-ZETCQYMHSA-N -1 0 319.159 0.845 10 0 DCAERM C[C@H](C(=O)[O-])N(C)C(=O)NCc1nn(C)cc1Br ZINC000393461714 685264539 /nfs/dbraw/zinc/26/45/39/685264539.db2.gz XBWMZIDWOIFNQY-ZCFIWIBFSA-N -1 0 319.159 0.797 10 0 DCAERM CO[C@]1(CNC(=O)N2CCSC[C@@H]2C(=O)[O-])CCSC1 ZINC000719231157 685309060 /nfs/dbraw/zinc/30/90/60/685309060.db2.gz ULANJJIRRSZRJZ-SKDRFNHKSA-N -1 0 320.436 0.720 10 0 DCAERM C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000261914540 1157812057 /nfs/dbraw/zinc/81/20/57/1157812057.db2.gz QRLZGSANHJGNQB-VIFPVBQESA-N -1 0 322.296 0.586 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCNC(=O)c2ccco2)C1 ZINC000261641690 1184604824 /nfs/dbraw/zinc/60/48/24/1184604824.db2.gz ITRFXQSBSKZBMM-VHSXEESVSA-N -1 0 310.306 0.100 10 0 DCAERM COc1ccccc1OCC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000261673851 1184725005 /nfs/dbraw/zinc/72/50/05/1184725005.db2.gz LRSGNALAPCSPIK-GHMZBOCLSA-N -1 0 309.318 0.775 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000262100104 1185162576 /nfs/dbraw/zinc/16/25/76/1185162576.db2.gz GSTMPSGIKVWJDP-SNVBAGLBSA-N -1 0 308.400 0.131 10 0 DCAERM Cc1cc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)on1 ZINC000262179300 1185163956 /nfs/dbraw/zinc/16/39/56/1185163956.db2.gz MEFWESPCTBPBJH-JTQLQIEISA-N -1 0 309.322 0.378 10 0 DCAERM NC(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)n1 ZINC000263133219 1185176533 /nfs/dbraw/zinc/17/65/33/1185176533.db2.gz YPINRICJRBMFQL-BJOHPYRUSA-N -1 0 318.333 0.899 10 0 DCAERM CO[C@@H](CNC(=O)CNC(=O)CC1CCCCC1)C(=O)[O-] ZINC000263093490 1185176757 /nfs/dbraw/zinc/17/67/57/1185176757.db2.gz NHMBBDFRHSJPKT-NSHDSACASA-N -1 0 300.355 0.289 10 0 DCAERM COCCn1cc([N-]S(=O)(=O)c2cccnc2F)cn1 ZINC000401831427 774067419 /nfs/dbraw/zinc/06/74/19/774067419.db2.gz NZPNNJQKPNXONL-UHFFFAOYSA-N -1 0 300.315 0.864 10 0 DCAERM CC[C@@H](CNC(=O)NC[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000694083714 954773002 /nfs/dbraw/zinc/77/30/02/954773002.db2.gz XKFYXYUATIFYHC-UWVGGRQHSA-N -1 0 306.384 0.364 10 0 DCAERM CN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000689345990 976251349 /nfs/dbraw/zinc/25/13/49/976251349.db2.gz LRXIQOBPJLUQBL-UHFFFAOYSA-N -1 0 316.364 0.396 10 0 DCAERM C[C@H](O)CN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000691514328 976359840 /nfs/dbraw/zinc/35/98/40/976359840.db2.gz OKZXXDKUISMPRS-QMMMGPOBSA-N -1 0 302.352 0.257 10 0 DCAERM C[C@H]1CN(C(=O)CN(CC(=O)[O-])Cc2ccccc2)CCO1 ZINC000692413773 976455137 /nfs/dbraw/zinc/45/51/37/976455137.db2.gz ABNIBERKOZTWNO-ZDUSSCGKSA-N -1 0 306.362 0.821 10 0 DCAERM Cn1cc(Br)c(C(=O)NC2(CC(=O)[O-])CC2)n1 ZINC000693036845 976574399 /nfs/dbraw/zinc/57/43/99/976574399.db2.gz OKOCIAUZIFYSLW-UHFFFAOYSA-N -1 0 302.128 0.920 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCCC2SCCS2)C1 ZINC000693777538 976655749 /nfs/dbraw/zinc/65/57/49/976655749.db2.gz RNYUGTQLQWOLHZ-IUCAKERBSA-N -1 0 320.436 0.660 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@H](C)N1C ZINC000694177811 976676048 /nfs/dbraw/zinc/67/60/48/976676048.db2.gz PLMALMMTLLXGSP-DTORHVGOSA-N -1 0 302.352 0.691 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000694314411 976690825 /nfs/dbraw/zinc/69/08/25/976690825.db2.gz XUGDMVQZETXRJQ-GRYCIOLGSA-N -1 0 302.396 0.806 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000070311357 190880379 /nfs/dbraw/zinc/88/03/79/190880379.db2.gz VLZWWLCZICVMQA-WDEREUQCSA-N -1 0 320.411 0.560 10 0 DCAERM O=C([O-])Cn1cnc2c(nnc3c(-c4ccccc4)cnn32)c1=O ZINC000072449766 191169908 /nfs/dbraw/zinc/16/99/08/191169908.db2.gz PGMSRQKYIWOSSF-UHFFFAOYSA-N -1 0 322.284 0.586 10 0 DCAERM Cc1csc([C@H](NC(=O)CN2CC(=O)NC2=O)C2CC2)n1 ZINC000173986432 198277458 /nfs/dbraw/zinc/27/74/58/198277458.db2.gz XQUFQTPDZVCVOA-LLVKDONJSA-N -1 0 308.363 0.571 10 0 DCAERM CCC[C@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236974652 202102176 /nfs/dbraw/zinc/10/21/76/202102176.db2.gz YPXWFVJRYFJKCL-JTQLQIEISA-N -1 0 306.322 0.256 10 0 DCAERM O=C([O-])CNC(=S)N1C[C@H]2Cc3cccc(=O)n3[C@H](C2)C1 ZINC000032919240 304069763 /nfs/dbraw/zinc/06/97/63/304069763.db2.gz QPOQKWVRRXALQA-GXSJLCMTSA-N -1 0 307.375 0.227 10 0 DCAERM CCCS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000263024355 283415788 /nfs/dbraw/zinc/41/57/88/283415788.db2.gz QLWNHDPNGSAZMS-HOSYDEDBSA-N -1 0 303.380 0.523 10 0 DCAERM O=C([O-])C[C@H]1COCCN1C(=O)c1cnc2ccccn2c1=O ZINC000261725329 304085448 /nfs/dbraw/zinc/08/54/48/304085448.db2.gz MGZSYSANJYAJNR-JTQLQIEISA-N -1 0 317.301 0.010 10 0 DCAERM CCC[C@@H](CNC(=O)c1ccccc1-n1cnnn1)C(=O)[O-] ZINC000263280014 283522687 /nfs/dbraw/zinc/52/26/87/283522687.db2.gz YMGMNIOGBZKUPH-JTQLQIEISA-N -1 0 303.322 0.893 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)NCC2(CC(=O)[O-])CCC2)C[C@H](C)O1 ZINC000164929210 291248303 /nfs/dbraw/zinc/24/83/03/291248303.db2.gz XJXNREWXJURYHN-PHIMTYICSA-N -1 0 320.411 0.575 10 0 DCAERM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)N1CCS(=O)(=O)CC1 ZINC000165396580 291248346 /nfs/dbraw/zinc/24/83/46/291248346.db2.gz SCMFOCHWYZPIPK-SKDRFNHKSA-N -1 0 304.368 0.070 10 0 DCAERM O=C([O-])[C@@H](CNS(=O)(=O)CC1CCC1)C1CCOCC1 ZINC000566557009 291312087 /nfs/dbraw/zinc/31/20/87/291312087.db2.gz MSBFBPYRMHLVQT-LBPRGKRZSA-N -1 0 305.396 0.833 10 0 DCAERM COc1cccc(N(CCC(=O)[O-])S(=O)(=O)N(C)C)c1 ZINC000275184486 212180102 /nfs/dbraw/zinc/18/01/02/212180102.db2.gz YPWKMZSNHFEZNH-UHFFFAOYSA-N -1 0 302.352 0.783 10 0 DCAERM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)N1CCCCC1 ZINC000299921476 304162187 /nfs/dbraw/zinc/16/21/87/304162187.db2.gz QFCUMCAOBLGUKZ-SRVKXCTJSA-N -1 0 302.396 0.902 10 0 DCAERM CS(=O)(=O)CC[C@@H](NC(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000019231110 182109726 /nfs/dbraw/zinc/10/97/26/182109726.db2.gz PJHWUVFNFKZQCF-SECBINFHSA-N -1 0 321.301 0.583 10 0 DCAERM NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000022141179 182310743 /nfs/dbraw/zinc/31/07/43/182310743.db2.gz AAAJATMVBLXUJL-QMMMGPOBSA-N -1 0 315.123 0.508 10 0 DCAERM CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436383 182893495 /nfs/dbraw/zinc/89/34/95/182893495.db2.gz DPYPCKRJNCIKLX-IUCAKERBSA-N -1 0 303.384 0.100 10 0 DCAERM COc1ccc2cc(O)c(N3CC(=O)[N-]S3(=O)=O)cc2c1 ZINC000043201585 183344674 /nfs/dbraw/zinc/34/46/74/183344674.db2.gz IDDDFTLUZLYJJA-UHFFFAOYSA-N -1 0 308.315 0.735 10 0 DCAERM Cc1cc(CCCC(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc1F ZINC000062458921 184237909 /nfs/dbraw/zinc/23/79/09/184237909.db2.gz BIRVVOORFIMPFY-GFCCVEGCSA-N -1 0 310.325 0.902 10 0 DCAERM O=C([O-])c1cnc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000263259915 304275619 /nfs/dbraw/zinc/27/56/19/304275619.db2.gz JJMICQWNYSUMKE-SNVBAGLBSA-N -1 0 305.212 0.314 10 0 DCAERM COCCN(CCOC)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000093680843 395738895 /nfs/dbraw/zinc/73/88/95/395738895.db2.gz ZKEDQMQRIOCWOC-UHFFFAOYSA-N -1 0 302.371 0.888 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000195358511 395825626 /nfs/dbraw/zinc/82/56/26/395825626.db2.gz XQKGWOQAVVSVLW-RKDXNWHRSA-N -1 0 318.317 0.263 10 0 DCAERM COc1n[nH]c(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n1 ZINC000194443336 395797457 /nfs/dbraw/zinc/79/74/57/395797457.db2.gz KUVMSVKJRREGMR-YFKPBYRVSA-N -1 0 309.248 0.455 10 0 DCAERM CC1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)CC1 ZINC000130822454 395924452 /nfs/dbraw/zinc/92/44/52/395924452.db2.gz WXLCKERVJASLFO-NSHDSACASA-N -1 0 316.383 0.112 10 0 DCAERM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000227866666 395869938 /nfs/dbraw/zinc/86/99/38/395869938.db2.gz WNGZONBXXBIBMO-SSDOTTSWSA-N -1 0 309.775 0.805 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000230811886 395881314 /nfs/dbraw/zinc/88/13/14/395881314.db2.gz ICVYNWXQQYZQSS-HTQZYQBOSA-N -1 0 321.786 0.853 10 0 DCAERM O=C([O-])[C@]1(NC(=O)c2cnc3ccccn3c2=O)CCSC1 ZINC000261977214 396085819 /nfs/dbraw/zinc/08/58/19/396085819.db2.gz QVLHNRGBKZCKKW-AWEZNQCLSA-N -1 0 319.342 0.385 10 0 DCAERM CC[C@](C)(O)CNc1nc[n-]c(=O)c1I ZINC000165278171 396087883 /nfs/dbraw/zinc/08/78/83/396087883.db2.gz URLZQYPASQGYHT-VIFPVBQESA-N -1 0 323.134 0.947 10 0 DCAERM C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000070311664 396101277 /nfs/dbraw/zinc/10/12/77/396101277.db2.gz FJLSGOBBEVKNDA-MRVPVSSYSA-N -1 0 312.347 0.713 10 0 DCAERM CC(C)(C)OCC[C@@H](NC(=O)CN1CSCC1=O)C(=O)[O-] ZINC000262121689 396101351 /nfs/dbraw/zinc/10/13/51/396101351.db2.gz GJVXISCREAMXPF-SECBINFHSA-N -1 0 318.395 0.294 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@H]2CCC[C@H](C(=O)[O-])C2)cn1C ZINC000070556162 396102577 /nfs/dbraw/zinc/10/25/77/396102577.db2.gz KXVLMRKCMCITJB-UWVGGRQHSA-N -1 0 301.368 0.650 10 0 DCAERM CCCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262137291 396102934 /nfs/dbraw/zinc/10/29/34/396102934.db2.gz JGYNUPSHJLDOMD-WOPDTQHZSA-N -1 0 312.366 0.478 10 0 DCAERM C[C@H]1CS(=O)(=O)CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000172408619 396131252 /nfs/dbraw/zinc/13/12/52/396131252.db2.gz AYIXKSUDVZDBMA-ZETCQYMHSA-N -1 0 305.302 0.930 10 0 DCAERM O=C([O-])[C@@H](NC(=O)c1cnn2c1CCCC2)[C@H]1CCCOC1 ZINC000262752339 396178484 /nfs/dbraw/zinc/17/84/84/396178484.db2.gz JMJXIFLBRCCMPK-GWCFXTLKSA-N -1 0 307.350 0.829 10 0 DCAERM Cc1cnn(Cc2cc(C(=O)NCCSCC(=O)[O-])no2)c1 ZINC000262811636 396184898 /nfs/dbraw/zinc/18/48/98/396184898.db2.gz UHNWWQGXRKCOKI-UHFFFAOYSA-N -1 0 324.362 0.775 10 0 DCAERM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(C(=O)Cn2cccn2)CC1 ZINC000262950072 396193732 /nfs/dbraw/zinc/19/37/32/396193732.db2.gz ONAOVPQTCBGXPF-CYBMUJFWSA-N -1 0 322.365 0.197 10 0 DCAERM NC(=O)COCCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000178564798 396199082 /nfs/dbraw/zinc/19/90/82/396199082.db2.gz LGBKOLSLXBKKRR-UHFFFAOYSA-N -1 0 307.133 0.931 10 0 DCAERM C[C@@H](O)C(=O)N1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000283384118 396333616 /nfs/dbraw/zinc/33/36/16/396333616.db2.gz KGRYEFYWRKLRFE-ZCFIWIBFSA-N -1 0 319.770 0.167 10 0 DCAERM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCOCC2)N1Cc1ccccc1 ZINC000630648540 397069799 /nfs/dbraw/zinc/06/97/99/397069799.db2.gz FNCPQMLITCBFGM-HUUCEWRRSA-N -1 0 318.373 0.963 10 0 DCAERM CCn1cc(CN(C)C(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2C2CC2)cn1 ZINC000630657828 397072816 /nfs/dbraw/zinc/07/28/16/397072816.db2.gz ACGYXEGEIHTAEF-KBPBESRZSA-N -1 0 320.393 0.941 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000384461440 397280177 /nfs/dbraw/zinc/28/01/77/397280177.db2.gz KTLKCYBKKWQAQH-NXEZZACHSA-N -1 0 307.368 0.455 10 0 DCAERM C[C@@H]1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@@H](C)O1 ZINC000384926649 397283010 /nfs/dbraw/zinc/28/30/10/397283010.db2.gz PUNWQUQKDFMUBX-KKZNHRDASA-N -1 0 306.384 0.183 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000036983536 157987899 /nfs/dbraw/zinc/98/78/99/157987899.db2.gz ASTVRMXBUPPKQX-MWLCHTKSSA-N -1 0 321.301 0.827 10 0 DCAERM CC(C)C[C@@H](CNC(=O)N[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000094706258 158122918 /nfs/dbraw/zinc/12/29/18/158122918.db2.gz XETDVRLBEKUUFK-UWVGGRQHSA-N -1 0 308.400 0.466 10 0 DCAERM CCN1CCc2nc([N-]S(=O)(=O)CCOC)sc2C1 ZINC000110122620 158138386 /nfs/dbraw/zinc/13/83/86/158138386.db2.gz NQDGVZMRTRMQCC-UHFFFAOYSA-N -1 0 305.425 0.909 10 0 DCAERM Cc1cccc(C(=O)NCCNC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000262029830 158765987 /nfs/dbraw/zinc/76/59/87/158765987.db2.gz GUSROLQVBQMBSW-STQMWFEESA-N -1 0 304.346 0.952 10 0 DCAERM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H](C)NC(C)=O ZINC000263354549 158874259 /nfs/dbraw/zinc/87/42/59/158874259.db2.gz RAZPLWOKSVIDBF-SECBINFHSA-N -1 0 308.334 0.577 10 0 DCAERM CC(=O)N1CCc2ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cc21 ZINC000278670941 158959338 /nfs/dbraw/zinc/95/93/38/158959338.db2.gz LCEXVXDPSJMAJR-NSCUHMNNSA-N -1 0 324.358 0.515 10 0 DCAERM Cc1noc(COCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)n1 ZINC000366947254 159299749 /nfs/dbraw/zinc/29/97/49/159299749.db2.gz WJUSSAFROHSJLS-HZMBPMFUSA-N -1 0 309.322 0.608 10 0 DCAERM COCCCS(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000368489992 159398328 /nfs/dbraw/zinc/39/83/28/159398328.db2.gz JBEJMGZHZMHKCL-QMMMGPOBSA-N -1 0 301.311 0.395 10 0 DCAERM Cc1ccn(C)c1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000408006129 160009102 /nfs/dbraw/zinc/00/91/02/160009102.db2.gz YJHYFXUCBBUMIA-UHFFFAOYSA-N -1 0 308.363 0.595 10 0 DCAERM CCn1ncc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)n1 ZINC000408127616 160042639 /nfs/dbraw/zinc/04/26/39/160042639.db2.gz XIMFEXDTPWUYEE-UHFFFAOYSA-N -1 0 300.384 0.938 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408132946 160044052 /nfs/dbraw/zinc/04/40/52/160044052.db2.gz MWEXWSBLACLAIH-SDDRHHMPSA-N -1 0 305.396 0.817 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000408192391 160056934 /nfs/dbraw/zinc/05/69/34/160056934.db2.gz NEPGPYQNQQTRBR-LLVKDONJSA-N -1 0 320.317 0.100 10 0 DCAERM Cc1ncsc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408254112 160070057 /nfs/dbraw/zinc/07/00/57/160070057.db2.gz KXSCKHCTPCAYBX-VIFPVBQESA-N -1 0 304.393 0.938 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408394791 160099978 /nfs/dbraw/zinc/09/99/78/160099978.db2.gz OKMZIKORVZXJLR-GDPRMGEGSA-N -1 0 316.766 0.965 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)C2COC2)sc2nccn12 ZINC000408475096 160116137 /nfs/dbraw/zinc/11/61/37/160116137.db2.gz BNBOSNUOTRUVSF-UHFFFAOYSA-N -1 0 301.349 0.163 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000408476626 160116357 /nfs/dbraw/zinc/11/63/57/160116357.db2.gz BKBRYIXQKKXHNC-LBPRGKRZSA-N -1 0 315.351 0.013 10 0 DCAERM O=C(CS(=O)(=O)C1CC1)[N-]S(=O)(=O)C1CCCCC1 ZINC000408482991 160117915 /nfs/dbraw/zinc/11/79/15/160117915.db2.gz JDIQLUXYNLYIKA-UHFFFAOYSA-N -1 0 309.409 0.342 10 0 DCAERM CCn1cc([C@H]2OCC[C@@H]2C(=O)[N-]S(=O)(=O)C(C)C)cn1 ZINC000408485135 160118579 /nfs/dbraw/zinc/11/85/79/160118579.db2.gz OKGBACOOGZDTGT-NWDGAFQWSA-N -1 0 315.395 0.835 10 0 DCAERM O=C(CS(=O)(=O)C1CC1)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408500721 160120453 /nfs/dbraw/zinc/12/04/53/160120453.db2.gz QCMRGYJJLAELEE-WCABBAIRSA-N -1 0 321.420 0.198 10 0 DCAERM Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1S(C)(=O)=O ZINC000134629999 287017549 /nfs/dbraw/zinc/01/75/49/287017549.db2.gz MPLUKKSVMPVYKM-UHFFFAOYSA-N -1 0 315.376 0.922 10 0 DCAERM COCCN(CCOC)C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070572376 415405639 /nfs/dbraw/zinc/40/56/39/415405639.db2.gz XWQBFNXHDNBLBJ-NEPJUHHUSA-N -1 0 302.371 0.934 10 0 DCAERM CC(=O)NCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000104823650 415627180 /nfs/dbraw/zinc/62/71/80/415627180.db2.gz AKZZTVHMHCODGW-UHFFFAOYSA-N -1 0 306.297 0.583 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2ccc(OC)c(F)c2)n1 ZINC000158958207 416004929 /nfs/dbraw/zinc/00/49/29/416004929.db2.gz LYBBVHDIFYPZQQ-UHFFFAOYSA-N -1 0 302.287 0.762 10 0 DCAERM O=C(NCCCc1ccccc1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357046417 416024808 /nfs/dbraw/zinc/02/48/08/416024808.db2.gz KEAWRNAZARZTOP-UHFFFAOYSA-N -1 0 314.349 0.054 10 0 DCAERM O=C(CCc1cccc2c1OCO2)NC1(c2nnn[n-]2)CC1 ZINC000357044191 416025035 /nfs/dbraw/zinc/02/50/35/416025035.db2.gz INFXISULHMVWLB-UHFFFAOYSA-N -1 0 301.306 0.667 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccnc(OCC(F)F)c1 ZINC000357046420 416025948 /nfs/dbraw/zinc/02/59/48/416025948.db2.gz KGDSKISYFGERRB-UHFFFAOYSA-N -1 0 310.264 0.658 10 0 DCAERM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000175556105 416109167 /nfs/dbraw/zinc/10/91/67/416109167.db2.gz JRHIEFOEFPQRID-KOLCDFICSA-N -1 0 314.345 0.697 10 0 DCAERM CO[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@@H]1C ZINC000188046439 416262498 /nfs/dbraw/zinc/26/24/98/416262498.db2.gz NNTVFRLVUKVSPF-GZMMTYOYSA-N -1 0 318.333 0.108 10 0 DCAERM C[C@H](NC(=O)c1ccccc1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000359525363 416349459 /nfs/dbraw/zinc/34/94/59/416349459.db2.gz RABPXTPZWAKFMX-JTQLQIEISA-N -1 0 317.349 0.378 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@H]2OCCc3ccccc32)n[n-]1 ZINC000441830170 416681282 /nfs/dbraw/zinc/68/12/82/416681282.db2.gz YTEJBFJXPWHWDK-JTQLQIEISA-N -1 0 322.346 0.461 10 0 DCAERM CC(=O)N1CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])[C@H](C)C1 ZINC000424405022 416640126 /nfs/dbraw/zinc/64/01/26/416640126.db2.gz DBNNYYQWVFQWPZ-YPMHNXCESA-N -1 0 313.398 0.996 10 0 DCAERM NS(=O)(=O)N1CCO[C@H](c2ccc(C(=O)[O-])cc2)CC1 ZINC000616591862 417083205 /nfs/dbraw/zinc/08/32/05/417083205.db2.gz AEPKBTYCACVMFP-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCCO[C@H](c2nnn[n-]2)C1 ZINC000616650249 417087153 /nfs/dbraw/zinc/08/71/53/417087153.db2.gz CDXAJATTXSQCQV-NSHDSACASA-N -1 0 309.351 0.352 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@@H]2COc3ccccc32)n[n-]1 ZINC000525752188 417147656 /nfs/dbraw/zinc/14/76/56/417147656.db2.gz HFHIFANMXKEOCR-MRVPVSSYSA-N -1 0 308.319 0.323 10 0 DCAERM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N3CC(C(=O)[O-])C3)[C@@H]2C1 ZINC000621835111 417312853 /nfs/dbraw/zinc/31/28/53/417312853.db2.gz KUJCITWSDMTXDV-CYZMBNFOSA-N -1 0 309.366 0.359 10 0 DCAERM CCCN(CCC)S(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000530150563 417543701 /nfs/dbraw/zinc/54/37/01/417543701.db2.gz NRJPRKKLOSZBPX-GFCCVEGCSA-N -1 0 308.400 0.529 10 0 DCAERM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1cc([O-])cc(F)c1 ZINC000623013632 417526145 /nfs/dbraw/zinc/52/61/45/417526145.db2.gz VAEWOVDMHGMSAM-VIFPVBQESA-N -1 0 323.367 0.387 10 0 DCAERM COc1ccncc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000663226693 418002138 /nfs/dbraw/zinc/00/21/38/418002138.db2.gz KOGZSSXGSLWKHA-OLZOCXBDSA-N -1 0 319.361 0.786 10 0 DCAERM Cc1nnc(CN(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])s1 ZINC000663431864 418019904 /nfs/dbraw/zinc/01/99/04/418019904.db2.gz BCYJWALJGBPBAQ-UHFFFAOYSA-N -1 0 317.352 0.089 10 0 DCAERM CCC(=O)N[C@@H]1CCCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000362490521 262040635 /nfs/dbraw/zinc/04/06/35/262040635.db2.gz SRMZYHMTUJDQKB-SNVBAGLBSA-N -1 0 305.334 0.911 10 0 DCAERM O=C(c1cc(F)c(F)c([O-])c1F)N1CCN2CCOC[C@@H]2C1 ZINC000363862454 262134966 /nfs/dbraw/zinc/13/49/66/262134966.db2.gz JBZABAASSSGOFS-QMMMGPOBSA-N -1 0 316.279 0.966 10 0 DCAERM COC[C@@H](NC(=O)NCCCc1nnc2ccccn21)C(=O)[O-] ZINC000563850865 288708519 /nfs/dbraw/zinc/70/85/19/288708519.db2.gz GBBLPRSJLKGCNC-SNVBAGLBSA-N -1 0 321.337 0.061 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000251183258 298367734 /nfs/dbraw/zinc/36/77/34/298367734.db2.gz HSIGWQZZZBBNBT-VYUIOLGVSA-N -1 0 300.380 0.810 10 0 DCAERM Cc1cc(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)C2=O)n(C)n1 ZINC000174985311 301335334 /nfs/dbraw/zinc/33/53/34/301335334.db2.gz WHVUDZFBXFWQJG-MRVPVSSYSA-N -1 0 304.272 0.902 10 0 DCAERM O=C(NC[C@@H]1CN2CCN1CC2)c1ccc2[n-]c(=S)oc2c1 ZINC000178973488 303796896 /nfs/dbraw/zinc/79/68/96/303796896.db2.gz CUQLBNQKOHGOJP-LLVKDONJSA-N -1 0 318.402 0.846 10 0 DCAERM CC[C@@H](NC(=O)NCCCc1nnc2ccccn21)C(=O)[O-] ZINC000582565203 337109777 /nfs/dbraw/zinc/10/97/77/337109777.db2.gz NLJMLGZOQNYLNL-SNVBAGLBSA-N -1 0 305.338 0.824 10 0 DCAERM O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000583179215 337255777 /nfs/dbraw/zinc/25/57/77/337255777.db2.gz CSZWLXXCBMGLOE-LLVKDONJSA-N -1 0 304.306 0.430 10 0 DCAERM CC(C)(C)OC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000399608461 337868249 /nfs/dbraw/zinc/86/82/49/337868249.db2.gz PWLSPCQHEVNLFZ-CQSZACIVSA-N -1 0 300.355 0.783 10 0 DCAERM Cn1ccc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)n1 ZINC000576763428 341862119 /nfs/dbraw/zinc/86/21/19/341862119.db2.gz PPYDOJMPRVHXLD-VIFPVBQESA-N -1 0 323.300 0.736 10 0 DCAERM O=C([O-])[C@@H]1CC[C@@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000407986999 534522822 /nfs/dbraw/zinc/52/28/22/534522822.db2.gz PEALVXOURMTWLW-ONGXEEELSA-N -1 0 303.311 0.424 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)NC[C@H](C)CC(=O)[O-])cc1 ZINC000147288780 521858199 /nfs/dbraw/zinc/85/81/99/521858199.db2.gz UNUZDTIRYYEJNQ-SECBINFHSA-N -1 0 314.363 0.435 10 0 DCAERM COCCOCCS(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000261712507 524014386 /nfs/dbraw/zinc/01/43/86/524014386.db2.gz PVIGSEAMMNHHIY-UHFFFAOYSA-N -1 0 317.363 0.467 10 0 DCAERM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](CF)C(=O)[O-])C2=O ZINC000262877298 526139337 /nfs/dbraw/zinc/13/93/37/526139337.db2.gz GRIPSXWTLKYCTJ-JTQLQIEISA-N -1 0 308.265 0.130 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000044615270 545650976 /nfs/dbraw/zinc/65/09/76/545650976.db2.gz AUSMJZKKHMXKEI-WDEREUQCSA-N -1 0 320.411 0.512 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)NC[C@H]1CCCC[C@H]1O ZINC000134716918 545801510 /nfs/dbraw/zinc/80/15/10/545801510.db2.gz OWNUINLIWACQSN-HTQZYQBOSA-N -1 0 320.392 0.671 10 0 DCAERM CC(C)C[C@H](CNC(=O)N1CCO[C@@H](CO)C1)CC(=O)[O-] ZINC000167337613 545877962 /nfs/dbraw/zinc/87/79/62/545877962.db2.gz NNCKBKAEKRVCRU-NWDGAFQWSA-N -1 0 302.371 0.526 10 0 DCAERM O=C(CNC(=O)c1c([O-])cc(F)cc1F)N1CCOCC1 ZINC000181051281 545902360 /nfs/dbraw/zinc/90/23/60/545902360.db2.gz PXRQTZBMEISLEQ-UHFFFAOYSA-N -1 0 300.261 0.259 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(C#N)c1 ZINC000181387261 665568488 /nfs/dbraw/zinc/56/84/88/665568488.db2.gz KSSGBNWEEALWDI-UHFFFAOYSA-N -1 0 307.335 0.355 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCS(=O)(=O)C2)C1 ZINC000757184521 658645027 /nfs/dbraw/zinc/64/50/27/658645027.db2.gz LAYNSDHZPKDYTO-TVQRCGJNSA-N -1 0 319.379 0.743 10 0 DCAERM C[C@H]1COCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000312413799 659288987 /nfs/dbraw/zinc/28/89/87/659288987.db2.gz NZTWEFZLLJZOOO-WPRPVWTQSA-N -1 0 302.352 0.427 10 0 DCAERM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000108275599 661705942 /nfs/dbraw/zinc/70/59/42/661705942.db2.gz WAZMBQKHIHROHE-SSDOTTSWSA-N -1 0 319.360 0.630 10 0 DCAERM CCC[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000262206931 662162978 /nfs/dbraw/zinc/16/29/78/662162978.db2.gz XCSYWLSQZLNEIN-LLVKDONJSA-N -1 0 319.317 0.472 10 0 DCAERM COC[C@H](O)CNC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263508444 662704318 /nfs/dbraw/zinc/70/43/18/662704318.db2.gz XXHFDZWMFDCTMM-UONOGXRCSA-N -1 0 324.377 0.769 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2)cc1 ZINC000171326366 664607260 /nfs/dbraw/zinc/60/72/60/664607260.db2.gz LYXFTSOWCUIIJL-UHFFFAOYSA-N -1 0 321.358 0.670 10 0 DCAERM O=C([N-]S(=O)(=O)Cc1ccccc1)c1ccc2nncn2c1 ZINC000172018661 664614995 /nfs/dbraw/zinc/61/49/95/664614995.db2.gz LDPJAPGLRSJESR-UHFFFAOYSA-N -1 0 316.342 0.989 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]C1CC(OC)C1 ZINC000231521779 664629914 /nfs/dbraw/zinc/62/99/14/664629914.db2.gz ZJSTYRSNUWXWLX-UHFFFAOYSA-N -1 0 306.365 0.385 10 0 DCAERM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000731871511 664887555 /nfs/dbraw/zinc/88/75/55/664887555.db2.gz GWECJSKEMAXZRC-JTQLQIEISA-N -1 0 316.361 0.707 10 0 DCAERM CCc1cccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000154424123 665135159 /nfs/dbraw/zinc/13/51/59/665135159.db2.gz XRZKSPTXXAHUHU-UHFFFAOYSA-N -1 0 312.391 0.485 10 0 DCAERM Cc1nc(CC(=O)[N-]S(=O)(=O)N2CCCCC2)cs1 ZINC000132277817 666267133 /nfs/dbraw/zinc/26/71/33/666267133.db2.gz KLDRLMZKCFYZGE-UHFFFAOYSA-N -1 0 303.409 0.841 10 0 DCAERM CCCc1noc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071932 667728514 /nfs/dbraw/zinc/72/85/14/667728514.db2.gz QOWFBDMAYORFMJ-HNNXBMFYSA-N -1 0 324.381 0.383 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCO[C@H]1C ZINC000192187108 670136355 /nfs/dbraw/zinc/13/63/55/670136355.db2.gz UREOQBRBLHVBJB-QWRGUYRKSA-N -1 0 315.395 0.657 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCO[C@@H]1C ZINC000192186254 670136489 /nfs/dbraw/zinc/13/64/89/670136489.db2.gz XHCTVKGNFPGESP-SCZZXKLOSA-N -1 0 302.352 0.911 10 0 DCAERM CCc1cccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000193009348 670221709 /nfs/dbraw/zinc/22/17/09/670221709.db2.gz GZPAISPOXRFICP-UHFFFAOYSA-N -1 0 312.391 0.374 10 0 DCAERM CC(C)CCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000715886534 670225691 /nfs/dbraw/zinc/22/56/91/670225691.db2.gz ZEEYFTSXGWTUAT-WCQYABFASA-N -1 0 305.396 0.785 10 0 DCAERM Cn1cnc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)c1Cl ZINC000716712689 670271070 /nfs/dbraw/zinc/27/10/70/670271070.db2.gz MCDVFTAFBGGXOD-RXMQYKEDSA-N -1 0 321.708 0.665 10 0 DCAERM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)cc1 ZINC000193506939 670290795 /nfs/dbraw/zinc/29/07/95/670290795.db2.gz SNMHAHQDXKTOOD-UHFFFAOYSA-N -1 0 312.310 0.944 10 0 DCAERM O=C([O-])c1ccnc(S(=O)(=O)N2CCCSCC2)c1 ZINC000388915751 685256048 /nfs/dbraw/zinc/25/60/48/685256048.db2.gz ODLKOFIEJQXUJL-UHFFFAOYSA-N -1 0 302.377 0.907 10 0 DCAERM CO[C@@]1(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)CCSC1 ZINC000719223257 685309523 /nfs/dbraw/zinc/30/95/23/685309523.db2.gz YVRROHULNQIHLR-VXGBXAGGSA-N -1 0 304.368 0.051 10 0 DCAERM CO[C@@]1(CNC(=O)N[C@@H](CC(F)F)C(=O)[O-])CCSC1 ZINC000719225627 685309599 /nfs/dbraw/zinc/30/95/99/685309599.db2.gz BOEWWLZRXONOTG-WRWORJQWSA-N -1 0 312.338 0.916 10 0 DCAERM COC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000380177874 685236818 /nfs/dbraw/zinc/23/68/18/685236818.db2.gz AQQKELFXWBFSMG-SECBINFHSA-N -1 0 300.336 0.437 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 ZINC000221732636 1180398789 /nfs/dbraw/zinc/39/87/89/1180398789.db2.gz RHWZSXXZVNLHFV-BBBLOLIVSA-N -1 0 300.355 0.238 10 0 DCAERM CO[C@@H](CNC(=O)CCCc1nc(C(C)(C)C)no1)C(=O)[O-] ZINC000263080394 1185175963 /nfs/dbraw/zinc/17/59/63/1185175963.db2.gz LAZLOTHHQJDHIS-VIFPVBQESA-N -1 0 313.354 0.906 10 0 DCAERM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCn1nc2ccccn2c1=O ZINC000263225985 1185176801 /nfs/dbraw/zinc/17/68/01/1185176801.db2.gz RNEWHWCVJOYJJB-QWRGUYRKSA-N -1 0 318.333 0.208 10 0 DCAERM CCS(=O)(=O)N(C)CCCNc1cnc(C(=O)[O-])cn1 ZINC000263423967 1185178806 /nfs/dbraw/zinc/17/88/06/1185178806.db2.gz QMJYEVVUJVASDO-UHFFFAOYSA-N -1 0 302.356 0.258 10 0 DCAERM CC[NH+](CC)C[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689198360 954642462 /nfs/dbraw/zinc/64/24/62/954642462.db2.gz ARYYIVHXXZCISX-QWRGUYRKSA-N -1 0 307.416 0.100 10 0 DCAERM CS(=O)(=O)CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000692803212 968920742 /nfs/dbraw/zinc/92/07/42/968920742.db2.gz NATZILVMGQNQHU-ZJUUUORDSA-N -1 0 306.384 0.364 10 0 DCAERM CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000689249555 976246419 /nfs/dbraw/zinc/24/64/19/976246419.db2.gz QKEZWQFJSHJWEM-APPZFPTMSA-N -1 0 304.324 0.154 10 0 DCAERM CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000689338782 976250970 /nfs/dbraw/zinc/25/09/70/976250970.db2.gz XGDUVVYOWADNQC-QMMMGPOBSA-N -1 0 306.340 0.400 10 0 DCAERM CCSC1(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC000691821470 976383691 /nfs/dbraw/zinc/38/36/91/976383691.db2.gz NPRIGNCXEAQLFD-ZJUUUORDSA-N -1 0 302.396 0.749 10 0 DCAERM Cc1nc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c(C)s1 ZINC000692695011 976537873 /nfs/dbraw/zinc/53/78/73/976537873.db2.gz JFLJCBAFSRBWNY-JTQLQIEISA-N -1 0 318.420 0.834 10 0 DCAERM C[C@@H]1CN(C(=O)NCCCCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000692804082 976549673 /nfs/dbraw/zinc/54/96/73/976549673.db2.gz UVDFENYOSQYESN-NXEZZACHSA-N -1 0 306.384 0.173 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NCC2(CO)CCCC2)c1 ZINC000694189129 976677877 /nfs/dbraw/zinc/67/78/77/976677877.db2.gz NHSAQAKTKAVGCP-UHFFFAOYSA-N -1 0 303.336 0.809 10 0 DCAERM C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694209068 976680467 /nfs/dbraw/zinc/68/04/67/976680467.db2.gz LQUQUXGLWYOWQA-ULCDLSAGSA-N -1 0 309.365 0.365 10 0 DCAERM O=C([O-])[C@H]1C[C@@H](O)CN1CCS(=O)(=O)C1CCCCC1 ZINC000699997950 976932067 /nfs/dbraw/zinc/93/20/67/976932067.db2.gz KMCWPXUGMSUBIQ-ZYHUDNBSSA-N -1 0 305.396 0.254 10 0 DCAERM CC(C)C[C@@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236769855 202000413 /nfs/dbraw/zinc/00/04/13/202000413.db2.gz BCVQCWFBRDFRAE-LLVKDONJSA-N -1 0 320.349 0.502 10 0 DCAERM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)N1CCCC[C@@H]1C ZINC000267558054 299254110 /nfs/dbraw/zinc/25/41/10/299254110.db2.gz FTLPDFJUNSGKEC-UWVGGRQHSA-N -1 0 322.365 0.005 10 0 DCAERM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCOC1 ZINC000158368852 291231444 /nfs/dbraw/zinc/23/14/44/291231444.db2.gz IGCSGVPZQCCQKG-SECBINFHSA-N -1 0 315.347 0.808 10 0 DCAERM COCCOc1ncccc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357082597 239022837 /nfs/dbraw/zinc/02/28/37/239022837.db2.gz XKTXWDULJLKOHW-UHFFFAOYSA-N -1 0 304.310 0.039 10 0 DCAERM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263479402 291379102 /nfs/dbraw/zinc/37/91/02/291379102.db2.gz KJWUXDGOADBRIG-AEJSXWLSSA-N -1 0 307.368 0.310 10 0 DCAERM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC000263179190 297343473 /nfs/dbraw/zinc/34/34/73/297343473.db2.gz KBWILQUSLLSEQC-NOOOWODRSA-N -1 0 305.396 0.926 10 0 DCAERM COc1ccc(NC(=O)CS(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC000019955436 182170383 /nfs/dbraw/zinc/17/03/83/182170383.db2.gz VCXIPNYUSWLNON-MRVPVSSYSA-N -1 0 301.320 0.522 10 0 DCAERM CS(=O)(=O)CC[C@@H](NC(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000019987187 182174530 /nfs/dbraw/zinc/17/45/30/182174530.db2.gz LSIZTUYAVILSJK-SNVBAGLBSA-N -1 0 321.301 0.583 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC000021505781 182276152 /nfs/dbraw/zinc/27/61/52/182276152.db2.gz KRRLRUAGGXQEFV-VIFPVBQESA-N -1 0 315.376 0.754 10 0 DCAERM C[C@H](O)[C@@H](NC(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000022174023 182311732 /nfs/dbraw/zinc/31/17/32/182311732.db2.gz CESCQAYASBMOOL-WRWORJQWSA-N -1 0 316.151 0.942 10 0 DCAERM CN(Cc1cscn1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000042865503 183315632 /nfs/dbraw/zinc/31/56/32/183315632.db2.gz LQUCKLLZRIKYAY-UHFFFAOYSA-N -1 0 302.337 0.385 10 0 DCAERM CN1CCN(C(=O)c2cccc(NC(=O)/C=C/C(=O)[O-])c2)CC1 ZINC000014554086 395689668 /nfs/dbraw/zinc/68/96/68/395689668.db2.gz JNNNWPUIQFAGAU-AATRIKPKSA-N -1 0 317.345 0.654 10 0 DCAERM C[C@H](CCC[C@H](C)C(=O)[O-])NC(=O)N1CCS(=O)(=O)CC1 ZINC000087675078 395706718 /nfs/dbraw/zinc/70/67/18/395706718.db2.gz MDURBSPSDHSFEP-WDEREUQCSA-N -1 0 320.411 0.706 10 0 DCAERM COc1ccc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])c(OC)c1 ZINC000037413202 395726711 /nfs/dbraw/zinc/72/67/11/395726711.db2.gz NFQKKMJAJBPATC-QMMMGPOBSA-N -1 0 303.336 0.845 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000037463340 395727546 /nfs/dbraw/zinc/72/75/46/395727546.db2.gz JJRORDLCZBDPBT-MWLCHTKSSA-N -1 0 317.338 0.997 10 0 DCAERM CS(=O)(=O)N[C@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000116982120 395850753 /nfs/dbraw/zinc/85/07/53/395850753.db2.gz IYQYDDXIFSLIHT-QMMMGPOBSA-N -1 0 320.317 0.434 10 0 DCAERM CCCCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000130833507 395924161 /nfs/dbraw/zinc/92/41/61/395924161.db2.gz NCEYUCMZHLWHCV-SNVBAGLBSA-N -1 0 304.372 0.112 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000227865668 395869837 /nfs/dbraw/zinc/86/98/37/395869837.db2.gz VVARLDMHJJBNCU-RQJHMYQMSA-N -1 0 305.743 0.381 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000062925669 395974143 /nfs/dbraw/zinc/97/41/43/395974143.db2.gz GSXGJPIQQBJAQH-GXFFZTMASA-N -1 0 318.395 0.412 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCOC[C@H]1C ZINC000277959118 396097160 /nfs/dbraw/zinc/09/71/60/396097160.db2.gz RZUIVIWPPUVIIB-SFYZADRCSA-N -1 0 320.392 0.633 10 0 DCAERM O=C([O-])c1nccnc1-n1cc(I)cn1 ZINC000070679330 396103564 /nfs/dbraw/zinc/10/35/64/396103564.db2.gz KNEIETXURQDEGX-UHFFFAOYSA-N -1 0 316.058 0.965 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000071173358 396110856 /nfs/dbraw/zinc/11/08/56/396110856.db2.gz FOBQCUGDZOMYDE-UHFFFAOYSA-N -1 0 305.333 0.240 10 0 DCAERM COc1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cc1OC ZINC000278578291 396132326 /nfs/dbraw/zinc/13/23/26/396132326.db2.gz CZOUTSIHGJYMDB-ONEGZZNKSA-N -1 0 301.320 0.623 10 0 DCAERM CC(C)C[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000262494427 396146652 /nfs/dbraw/zinc/14/66/52/396146652.db2.gz XYMQSLOPDQGSDR-VIFPVBQESA-N -1 0 301.368 0.607 10 0 DCAERM COc1cccc(C(=O)NCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000263328894 396214521 /nfs/dbraw/zinc/21/45/21/396214521.db2.gz PMQCBVTWWMLZRD-PHIMTYICSA-N -1 0 306.318 0.404 10 0 DCAERM O=C(CNC(=O)c1cc(F)c([O-])c(Cl)c1)N1CCOCC1 ZINC000184527627 396298065 /nfs/dbraw/zinc/29/80/65/396298065.db2.gz ZXAGGYPBIDNIAX-UHFFFAOYSA-N -1 0 316.716 0.773 10 0 DCAERM COc1ccc2c(c1)CCN2C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000187042914 396362450 /nfs/dbraw/zinc/36/24/50/396362450.db2.gz ABGXVRVMESJABJ-UHFFFAOYSA-N -1 0 306.347 0.788 10 0 DCAERM O=C([O-])C1=CN=C2N=CC(I)=CN2[C@@H]1O ZINC000585656092 396648495 /nfs/dbraw/zinc/64/84/95/396648495.db2.gz FTAZZFMJASCCCE-ZCFIWIBFSA-N -1 0 319.058 0.306 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000312803277 396766502 /nfs/dbraw/zinc/76/65/02/396766502.db2.gz QQUCCMJULWTWOB-LURJTMIESA-N -1 0 321.273 0.265 10 0 DCAERM Cc1c(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)[O-])C2)cnn1C ZINC000312713705 396766721 /nfs/dbraw/zinc/76/67/21/396766721.db2.gz PVCQPHJEOMWFKU-VHSXEESVSA-N -1 0 301.368 0.650 10 0 DCAERM Cc1c(S(=O)(=O)N[C@H]2CCC[C@H](C(=O)[O-])C2)cnn1C ZINC000312713703 396766812 /nfs/dbraw/zinc/76/68/12/396766812.db2.gz PVCQPHJEOMWFKU-UWVGGRQHSA-N -1 0 301.368 0.650 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CC(C)(C)[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000630425895 397017413 /nfs/dbraw/zinc/01/74/13/397017413.db2.gz TYHJBFZMYBHMHL-AEJSXWLSSA-N -1 0 306.384 0.135 10 0 DCAERM CO[C@@H]1CN(C(=O)N[C@@H]2CCCn3nccc32)[C@@](C)(C(=O)[O-])C1 ZINC000630504144 397033819 /nfs/dbraw/zinc/03/38/19/397033819.db2.gz FDAWSPLDMLPHPU-FIXISWKDSA-N -1 0 322.365 0.992 10 0 DCAERM Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@H]2C)cnn1C ZINC000384488834 397281503 /nfs/dbraw/zinc/28/15/03/397281503.db2.gz SEDVQGKLRIQDNI-SCZZXKLOSA-N -1 0 301.368 0.602 10 0 DCAERM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(F)(F)CC ZINC000599431994 397440262 /nfs/dbraw/zinc/44/02/62/397440262.db2.gz XKNNNPYHLLWXRO-UHFFFAOYSA-N -1 0 311.310 0.910 10 0 DCAERM O=C([O-])c1cnn([C@@H]2CCCN(S(=O)(=O)CC3CC3)C2)c1 ZINC000370545114 397499829 /nfs/dbraw/zinc/49/98/29/397499829.db2.gz ZSCYOJKTRYEWRJ-GFCCVEGCSA-N -1 0 313.379 0.958 10 0 DCAERM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)[O-] ZINC000032917787 285959366 /nfs/dbraw/zinc/95/93/66/285959366.db2.gz PKCFBBHQMSSIMP-UHFFFAOYSA-N -1 0 318.351 0.513 10 0 DCAERM COC(=O)[C@H]1CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C1 ZINC000095018725 158124696 /nfs/dbraw/zinc/12/46/96/158124696.db2.gz MEBJOQJNFPYTDQ-QWRGUYRKSA-N -1 0 300.355 0.938 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C)O1 ZINC000121281505 158208972 /nfs/dbraw/zinc/20/89/72/158208972.db2.gz NRPRCOPFDQGFFA-GMSGAONNSA-N -1 0 301.368 0.409 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)c1 ZINC000167001617 158366856 /nfs/dbraw/zinc/36/68/56/158366856.db2.gz FOACNVLTXUWIHN-UHFFFAOYSA-N -1 0 313.331 0.616 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000237521456 158640298 /nfs/dbraw/zinc/64/02/98/158640298.db2.gz CYTVWHYZVIXEFT-WDEREUQCSA-N -1 0 308.334 0.998 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000261985975 158761582 /nfs/dbraw/zinc/76/15/82/158761582.db2.gz AYKAYEKVWOIJIQ-GXSJLCMTSA-N -1 0 320.301 0.332 10 0 DCAERM CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262961093 158850389 /nfs/dbraw/zinc/85/03/89/158850389.db2.gz QDDSVSCCVLBPPJ-TUAOUCFPSA-N -1 0 311.382 0.938 10 0 DCAERM CCOC(=O)CCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263174830 158859574 /nfs/dbraw/zinc/85/95/74/158859574.db2.gz JSBWSSOJUIFTAB-QWRGUYRKSA-N -1 0 321.395 0.845 10 0 DCAERM O=c1[n-]c(C2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)n[nH]1 ZINC000368396401 159392473 /nfs/dbraw/zinc/39/24/73/159392473.db2.gz CIIPCLUSGCURRK-VIFPVBQESA-N -1 0 324.303 0.630 10 0 DCAERM C[C@@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C[C@H]1O ZINC000408088094 160032690 /nfs/dbraw/zinc/03/26/90/160032690.db2.gz DJPYMSWTXREYIB-ZYHUDNBSSA-N -1 0 309.391 0.711 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000408193460 160056743 /nfs/dbraw/zinc/05/67/43/160056743.db2.gz CLWZUCZXBLSGSR-ZETCQYMHSA-N -1 0 324.811 0.537 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408249857 160069398 /nfs/dbraw/zinc/06/93/98/160069398.db2.gz CYTLBTYAPIGCMY-OLZOCXBDSA-N -1 0 318.439 0.733 10 0 DCAERM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408386653 160097509 /nfs/dbraw/zinc/09/75/09/160097509.db2.gz QQLMBLFJEOIKQY-HNNXBMFYSA-N -1 0 304.302 0.954 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1nc(C)c(C)nc1C ZINC000408446293 160109065 /nfs/dbraw/zinc/10/90/65/160109065.db2.gz JMWRHSPZHKOYRP-UHFFFAOYSA-N -1 0 323.378 0.562 10 0 DCAERM CC(C)[C@H]1CCO[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408445637 160109650 /nfs/dbraw/zinc/10/96/50/160109650.db2.gz AVSNTSUKHQTLCS-QJPTWQEYSA-N -1 0 305.396 0.673 10 0 DCAERM CC(C)CS(=O)(=O)[N-]C(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000408485440 160118666 /nfs/dbraw/zinc/11/86/66/160118666.db2.gz PKVBMMCXSDFLKB-SNVBAGLBSA-N -1 0 315.395 0.640 10 0 DCAERM CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000408490427 160119001 /nfs/dbraw/zinc/11/90/01/160119001.db2.gz AUBKKXHNSRKMPL-NSHDSACASA-N -1 0 316.423 0.880 10 0 DCAERM CC(C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000408488172 160119124 /nfs/dbraw/zinc/11/91/24/160119124.db2.gz YCOCAKKIMHHJQR-SECBINFHSA-N -1 0 301.368 0.392 10 0 DCAERM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)c2C1 ZINC000408494607 160119642 /nfs/dbraw/zinc/11/96/42/160119642.db2.gz CMPYZOGYGQELNS-SECBINFHSA-N -1 0 323.378 0.318 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@@H]1C[C@H]1C(F)(F)F ZINC000408498455 160119821 /nfs/dbraw/zinc/11/98/21/160119821.db2.gz TYFIYWBTACXZPO-BWZBUEFSSA-N -1 0 301.286 0.810 10 0 DCAERM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cccnc3)c2C1 ZINC000408497798 160119847 /nfs/dbraw/zinc/11/98/47/160119847.db2.gz JWNSYXMQRFSMGN-SNVBAGLBSA-N -1 0 320.374 0.979 10 0 DCAERM CC(C)(C)C[C@H](CC(=O)[O-])NC(=O)N1CCS(=O)(=O)CC1 ZINC000134755150 287018348 /nfs/dbraw/zinc/01/83/48/287018348.db2.gz PPKCWDJXMOBNKB-JTQLQIEISA-N -1 0 320.411 0.706 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC000253161287 287121034 /nfs/dbraw/zinc/12/10/34/287121034.db2.gz UOPDKDVZRJORRH-UWVGGRQHSA-N -1 0 301.368 0.777 10 0 DCAERM COc1ccccc1[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000005598768 415133275 /nfs/dbraw/zinc/13/32/75/415133275.db2.gz ZPLAXCRBZHUVNZ-SECBINFHSA-N -1 0 305.377 0.624 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000037463335 415190212 /nfs/dbraw/zinc/19/02/12/415190212.db2.gz YEVSPAOCINBRLQ-NNYUYHANSA-N -1 0 320.411 0.383 10 0 DCAERM CS(=O)(=O)N[C@H]1CCN(C(=O)c2c([O-])cccc2F)C1 ZINC000125040392 415856057 /nfs/dbraw/zinc/85/60/57/415856057.db2.gz RJUUJIIHBQDHDD-QMMMGPOBSA-N -1 0 302.327 0.295 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CC(=O)c3ccccc32)n[n-]1 ZINC000357007604 416019600 /nfs/dbraw/zinc/01/96/00/416019600.db2.gz XMVDIUBPZOMSOK-SECBINFHSA-N -1 0 320.330 0.517 10 0 DCAERM CC(C)NC(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000357042149 416025578 /nfs/dbraw/zinc/02/55/78/416025578.db2.gz GEVSUJKYVRRABB-UHFFFAOYSA-N -1 0 314.349 0.757 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccncc1Br ZINC000357051104 416026848 /nfs/dbraw/zinc/02/68/48/416026848.db2.gz PBSQWMXSENHFHI-UHFFFAOYSA-N -1 0 309.127 0.776 10 0 DCAERM CC(=O)Nc1ccc(O)c(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357068378 416029274 /nfs/dbraw/zinc/02/92/74/416029274.db2.gz HGQPKHOBGJRODF-UHFFFAOYSA-N -1 0 302.294 0.283 10 0 DCAERM CCCN(CCC)C(=O)CCC(=O)NC1(c2nnn[n-]2)CC1 ZINC000357077877 416032575 /nfs/dbraw/zinc/03/25/75/416032575.db2.gz OOECTNMVFCDGTQ-UHFFFAOYSA-N -1 0 308.386 0.734 10 0 DCAERM Cc1nn2c(nc(C)cc2C)c1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357094711 416034387 /nfs/dbraw/zinc/03/43/87/416034387.db2.gz ISZKIBAWXLACKV-UHFFFAOYSA-N -1 0 312.337 0.587 10 0 DCAERM Cc1cc(C)n(CC(=O)Nc2cc(S(N)(=O)=O)ccc2O)n1 ZINC000357098670 416034636 /nfs/dbraw/zinc/03/46/36/416034636.db2.gz CYCBLUJNNZTKTJ-UHFFFAOYSA-N -1 0 324.362 0.492 10 0 DCAERM COCCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000262275524 416336510 /nfs/dbraw/zinc/33/65/10/416336510.db2.gz UPEHRKMTRSICFL-BFQNTYOBSA-N -1 0 324.377 0.195 10 0 DCAERM O=C(Cn1cc2ccccc2n1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000539326109 416578228 /nfs/dbraw/zinc/57/82/28/416578228.db2.gz KKPUESJJACZQQS-GFCCVEGCSA-N -1 0 311.349 0.956 10 0 DCAERM CCc1ccccc1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000442617022 416700763 /nfs/dbraw/zinc/70/07/63/416700763.db2.gz HTFSQOPMDILQAZ-UHFFFAOYSA-N -1 0 308.363 0.952 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000518058458 416836818 /nfs/dbraw/zinc/83/68/18/416836818.db2.gz JLTCJKNBCVTVMY-NTZNESFSSA-N -1 0 318.395 0.139 10 0 DCAERM NS(=O)(=O)N1CCOC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616662765 417090545 /nfs/dbraw/zinc/09/05/45/417090545.db2.gz DWCPKXJYEMELPN-LLVKDONJSA-N -1 0 300.336 0.004 10 0 DCAERM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000569083788 417211386 /nfs/dbraw/zinc/21/13/86/417211386.db2.gz WUDBHLIZWODDNK-QJPTWQEYSA-N -1 0 324.381 0.800 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)CC2CCSCC2)n[n-]1 ZINC000531890006 417649709 /nfs/dbraw/zinc/64/97/09/417649709.db2.gz AFOMIDMWBCMBOH-UHFFFAOYSA-N -1 0 304.397 0.680 10 0 DCAERM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cnnn1C ZINC000629290715 417771434 /nfs/dbraw/zinc/77/14/34/417771434.db2.gz VUFLBJIXXOCGLL-UHFFFAOYSA-N -1 0 309.351 0.599 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])C[C@H](C)O1 ZINC000312213592 261174158 /nfs/dbraw/zinc/17/41/58/261174158.db2.gz AFLWOWQAWAVULU-QXEWZRGKSA-N -1 0 306.384 0.183 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1ncccc1Br ZINC000357163244 261510398 /nfs/dbraw/zinc/51/03/98/261510398.db2.gz YBSXWRNPIHDOPC-UHFFFAOYSA-N -1 0 313.111 0.493 10 0 DCAERM Cc1nc(CN(C)C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)no1 ZINC000358505361 261674571 /nfs/dbraw/zinc/67/45/71/261674571.db2.gz FLGJSGWJKJDWCV-UHFFFAOYSA-N -1 0 315.289 0.994 10 0 DCAERM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)N=c1nc(C2CC2)[n-]s1 ZINC000362665700 262058010 /nfs/dbraw/zinc/05/80/10/262058010.db2.gz OYULBHYXMGRNLX-HTQZYQBOSA-N -1 0 312.395 0.706 10 0 DCAERM C[C@H](CN(C)C(=O)C(=O)c1cnn(C(C)(C)C)c1)c1nnn[n-]1 ZINC000358384260 271050328 /nfs/dbraw/zinc/05/03/28/271050328.db2.gz LATOXTCQHMOJCC-SECBINFHSA-N -1 0 319.369 0.596 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)on1 ZINC000527484208 272613386 /nfs/dbraw/zinc/61/33/86/272613386.db2.gz VRLCTXKYSOXFJY-KWQFWETISA-N -1 0 302.352 0.855 10 0 DCAERM Cc1c([C@H](NS(=O)(=O)N2CCC[C@H]2C)C(=O)[O-])cnn1C ZINC000530383143 287746584 /nfs/dbraw/zinc/74/65/84/287746584.db2.gz OMOOAKWATCLSIF-KCJUWKMLSA-N -1 0 316.383 0.173 10 0 DCAERM CCS(=O)(=O)N1CCC(CN=c2nc(C)[n-]s2)CC1 ZINC000543483835 287958318 /nfs/dbraw/zinc/95/83/18/287958318.db2.gz YKMBVFLLYWKJCR-UHFFFAOYSA-N -1 0 304.441 0.742 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC1(C(=O)[O-])CC1 ZINC000368314209 277992546 /nfs/dbraw/zinc/99/25/46/277992546.db2.gz YXPRBKXYIQJGQX-LLVKDONJSA-N -1 0 318.395 0.314 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000368652990 277998284 /nfs/dbraw/zinc/99/82/84/277998284.db2.gz PEFFWKQBSDAQCI-JQWIXIFHSA-N -1 0 320.411 0.418 10 0 DCAERM COCCCS(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000547550469 288057121 /nfs/dbraw/zinc/05/71/21/288057121.db2.gz JHPRCSBIIWLAKI-LLVKDONJSA-N -1 0 316.379 0.281 10 0 DCAERM CC(C)CS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262271440 278933787 /nfs/dbraw/zinc/93/37/87/278933787.db2.gz TXBIJNJSVZYGPV-SMDDNHRTSA-N -1 0 317.407 0.771 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cccc(F)c2)C1 ZINC000019232650 293924999 /nfs/dbraw/zinc/92/49/99/293924999.db2.gz SDKDNXGQZBWGIA-MWLCHTKSSA-N -1 0 303.311 0.688 10 0 DCAERM CO[C@H](CNC(=O)c1cn(Cc2ccccc2)nn1)C(=O)[O-] ZINC000263112644 294453981 /nfs/dbraw/zinc/45/39/81/294453981.db2.gz QBPYLMWAGHCWQT-GFCCVEGCSA-N -1 0 304.306 0.156 10 0 DCAERM C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCS1(=O)=O ZINC000155452305 300273036 /nfs/dbraw/zinc/27/30/36/300273036.db2.gz XFWJVZXOONHOSO-QMMMGPOBSA-N -1 0 313.404 0.604 10 0 DCAERM Cc1[nH]c(=O)sc1S(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038026927 300889801 /nfs/dbraw/zinc/88/98/01/300889801.db2.gz NOIUGKKLUWZWPV-MRVPVSSYSA-N -1 0 320.392 0.763 10 0 DCAERM CCN(CCC(=O)[O-])C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000262438167 520986355 /nfs/dbraw/zinc/98/63/55/520986355.db2.gz UBZAKKNHQCWWTH-UHFFFAOYSA-N -1 0 324.333 0.496 10 0 DCAERM CC[C@@H](C)[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000237010444 522375697 /nfs/dbraw/zinc/37/56/97/522375697.db2.gz JNSUXPRSLIYDPY-MFKMUULPSA-N -1 0 317.349 0.956 10 0 DCAERM C[C@H](NS(=O)(=O)c1cn(C)cn1)c1nc(C(=O)[O-])cs1 ZINC000090941614 545716354 /nfs/dbraw/zinc/71/63/54/545716354.db2.gz WELMVIRQBDLILV-LURJTMIESA-N -1 0 316.364 0.614 10 0 DCAERM Cn1nccc1C1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000191583731 545926269 /nfs/dbraw/zinc/92/62/69/545926269.db2.gz JHHDMWKTUHGWPQ-STQMWFEESA-N -1 0 307.350 0.758 10 0 DCAERM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CO[C@]12CCS(=O)(=O)C2 ZINC000669380796 546964496 /nfs/dbraw/zinc/96/44/96/546964496.db2.gz PYMNEQSHCFDVDH-PELKAZGASA-N -1 0 321.351 0.222 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C(=O)[O-])C1 ZINC000675058524 547659147 /nfs/dbraw/zinc/65/91/47/547659147.db2.gz JVVJJSONLLTUBZ-QPUJVOFHSA-N -1 0 305.352 0.353 10 0 DCAERM [NH3+][C@H](CC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000034046037 571749634 /nfs/dbraw/zinc/74/96/34/571749634.db2.gz ZARXTZFGQZBYFO-ZYHUDNBSSA-N -1 0 319.317 0.082 10 0 endogenous,in-man DCAERM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)[C@@H]1CNC(=O)C1 ZINC000176234295 658006268 /nfs/dbraw/zinc/00/62/68/658006268.db2.gz XJJYGDONMSVAHX-VIFPVBQESA-N -1 0 316.766 0.422 10 0 DCAERM C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@@H](C(=O)[O-])O1 ZINC000262234205 662186637 /nfs/dbraw/zinc/18/66/37/662186637.db2.gz PFZOODNPTFHWGA-APPZFPTMSA-N -1 0 323.334 0.038 10 0 DCAERM NC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262271586 662282335 /nfs/dbraw/zinc/28/23/35/662282335.db2.gz GXBGZBRPWWGZCG-NWDGAFQWSA-N -1 0 306.318 0.133 10 0 DCAERM CC[C@@](C)(NC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)[O-] ZINC000262437125 662385767 /nfs/dbraw/zinc/38/57/67/662385767.db2.gz NHZCKFXBEVRVHK-MRXNPFEDSA-N -1 0 317.345 0.846 10 0 DCAERM CC[C@](C)(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000262474668 662404601 /nfs/dbraw/zinc/40/46/01/662404601.db2.gz SQWJRHUOAIVOJT-HNNXBMFYSA-N -1 0 319.317 0.472 10 0 DCAERM CNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000262540401 662471722 /nfs/dbraw/zinc/47/17/22/662471722.db2.gz QZLNCMKCWWDHRA-LBPRGKRZSA-N -1 0 304.346 0.912 10 0 DCAERM CO[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)C(=O)[O-] ZINC000263089137 662629096 /nfs/dbraw/zinc/62/90/96/662629096.db2.gz MNNSETLNOGAFFZ-SFYZADRCSA-N -1 0 300.336 0.824 10 0 DCAERM COc1ccccc1N1CCN(C(=O)Cc2nnn[n-]2)CC1 ZINC000169861525 663775635 /nfs/dbraw/zinc/77/56/35/663775635.db2.gz QWDHAUQTDQBTAK-UHFFFAOYSA-N -1 0 302.338 0.100 10 0 DCAERM CO[C@@H](CNC(=O)CN(C)c1ccc(Cl)cn1)C(=O)[O-] ZINC000227269190 664531242 /nfs/dbraw/zinc/53/12/42/664531242.db2.gz UOYCSMQESMUGCS-VIFPVBQESA-N -1 0 301.730 0.387 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC000227866135 664540225 /nfs/dbraw/zinc/54/02/25/664540225.db2.gz KZSFZFUSLLXOQM-UHFFFAOYSA-N -1 0 307.759 0.701 10 0 DCAERM Cn1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)ccc1=O ZINC000864146301 667219043 /nfs/dbraw/zinc/21/90/43/667219043.db2.gz WKJADYXFUQQQIV-GFCCVEGCSA-N -1 0 308.334 0.243 10 0 DCAERM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCS1(=O)=O ZINC000707413187 667438730 /nfs/dbraw/zinc/43/87/30/667438730.db2.gz FBHGVKDOABOUMV-SECBINFHSA-N -1 0 321.420 0.230 10 0 DCAERM Cc1cc(S(=O)(=O)N(C)[C@@H](C)CO)cc(C(=O)[O-])c1F ZINC000122324915 668142460 /nfs/dbraw/zinc/14/24/60/668142460.db2.gz OTZILNACHAUUSS-QMMMGPOBSA-N -1 0 305.327 0.834 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCO[C@H]2C)nc1C ZINC000192275437 670147765 /nfs/dbraw/zinc/14/77/65/670147765.db2.gz VETXIKLXAKDTCW-GXSJLCMTSA-N -1 0 315.395 0.831 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N[C@H]2C=CC[C@H](C(=O)[O-])C2)C1 ZINC000714177882 670179973 /nfs/dbraw/zinc/17/99/73/670179973.db2.gz ATCCHKZGQDNILA-SRVKXCTJSA-N -1 0 302.396 0.972 10 0 DCAERM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000194599351 670443390 /nfs/dbraw/zinc/44/33/90/670443390.db2.gz AJBMRBQPWWMTJA-SECBINFHSA-N -1 0 302.352 0.500 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1CNC(=O)C1 ZINC000195285090 670479062 /nfs/dbraw/zinc/47/90/62/670479062.db2.gz LWOIJULTFVFOGK-ZETCQYMHSA-N -1 0 302.739 0.281 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CNC(=O)C1 ZINC000195289223 670479328 /nfs/dbraw/zinc/47/93/28/670479328.db2.gz VIPPBCBBTJCCEV-LURJTMIESA-N -1 0 320.729 0.420 10 0 DCAERM O=C([O-])c1cnc(CNS(=O)(=O)N2CCCCC2)s1 ZINC000720646160 685314692 /nfs/dbraw/zinc/31/46/92/685314692.db2.gz MAYYSHYGVJYDSZ-UHFFFAOYSA-N -1 0 305.381 0.662 10 0 DCAERM COc1ccc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])nn1 ZINC000262075016 685189194 /nfs/dbraw/zinc/18/91/94/685189194.db2.gz AVAAUFQKZQBUPR-JTQLQIEISA-N -1 0 311.338 0.873 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)C1 ZINC000036979702 1171435534 /nfs/dbraw/zinc/43/55/34/1171435534.db2.gz YGVIUKRWCBNYDV-NXEZZACHSA-N -1 0 300.355 0.239 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000070310620 1173813337 /nfs/dbraw/zinc/81/33/37/1173813337.db2.gz LSELYSABPZTVHD-RKDXNWHRSA-N -1 0 309.409 0.276 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000262086042 1185160614 /nfs/dbraw/zinc/16/06/14/1185160614.db2.gz BXUPNLMPYXUDDP-VXGBXAGGSA-N -1 0 321.329 0.701 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC000262093192 1185162073 /nfs/dbraw/zinc/16/20/73/1185162073.db2.gz CZOPOQWFLVJTLB-OLZOCXBDSA-N -1 0 320.345 0.046 10 0 DCAERM CCN(CC)C(=O)CCCC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000262106822 1185162569 /nfs/dbraw/zinc/16/25/69/1185162569.db2.gz GHVICNIKXBJISF-VXGBXAGGSA-N -1 0 314.382 0.726 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000262139356 1185162605 /nfs/dbraw/zinc/16/26/05/1185162605.db2.gz LSNUYXDWVUPOFC-MFKMUULPSA-N -1 0 320.345 0.980 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)nnn3C)C1 ZINC000262217275 1185163610 /nfs/dbraw/zinc/16/36/10/1185163610.db2.gz ZCGYQIIWWHNRKY-BXKDBHETSA-N -1 0 304.306 0.282 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000262575917 1185169602 /nfs/dbraw/zinc/16/96/02/1185169602.db2.gz YEYIAJWZCINWPW-PWSUYJOCSA-N -1 0 318.333 0.591 10 0 DCAERM NC(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000263133116 1185177057 /nfs/dbraw/zinc/17/70/57/1185177057.db2.gz YMZLWIVVJDYMMC-BJOHPYRUSA-N -1 0 318.333 0.899 10 0 DCAERM CO[C@@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)C(=O)[O-] ZINC000263131354 1185177332 /nfs/dbraw/zinc/17/73/32/1185177332.db2.gz SWTNVCJMXOAWPY-LBPRGKRZSA-N -1 0 306.318 0.865 10 0 DCAERM CC(C)[C@@H](Nc1cc(N2CCN(C)C(=O)C2)ncn1)C(=O)[O-] ZINC000263441997 1185178566 /nfs/dbraw/zinc/17/85/66/1185178566.db2.gz XJBFKVDYGWAIHV-CYBMUJFWSA-N -1 0 307.354 0.276 10 0 DCAERM C[C@H](O)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000688107260 954622724 /nfs/dbraw/zinc/62/27/24/954622724.db2.gz PZDDDTRUTYKRMC-AXFHLTTASA-N -1 0 306.384 0.016 10 0 DCAERM C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000688107263 954623192 /nfs/dbraw/zinc/62/31/92/954623192.db2.gz PZDDDTRUTYKRMC-DCAQKATOSA-N -1 0 306.384 0.016 10 0 DCAERM COCC(COC)S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000688607491 954633787 /nfs/dbraw/zinc/63/37/87/954633787.db2.gz URYGDDOEWWBTKZ-ZJUUUORDSA-N -1 0 309.384 0.020 10 0 DCAERM CC(C)(CO)CCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689212756 954645524 /nfs/dbraw/zinc/64/55/24/954645524.db2.gz ZXOKULPFFMZCHX-JTQLQIEISA-N -1 0 308.400 0.169 10 0 DCAERM CN(CCC(=O)[O-])C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000692824191 954711146 /nfs/dbraw/zinc/71/11/46/954711146.db2.gz OJGFJEVELQNZAB-UHFFFAOYSA-N -1 0 306.384 0.317 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1cscn1 ZINC000689254325 968893864 /nfs/dbraw/zinc/89/38/64/968893864.db2.gz IZVFEFZNKNFXAG-CBAPKCEASA-N -1 0 305.381 0.588 10 0 DCAERM CS(=O)(=O)CC1(CCNC(=O)CCCCC(=O)[O-])CC1 ZINC000692800461 968920863 /nfs/dbraw/zinc/92/08/63/968920863.db2.gz UOZGLRKZKLSADZ-UHFFFAOYSA-N -1 0 305.396 0.963 10 0 DCAERM COCC(COC)S(=O)(=O)NCc1ccc(C(=O)[O-])o1 ZINC000688579685 976186829 /nfs/dbraw/zinc/18/68/29/976186829.db2.gz HKAOISKGPKTPEI-UHFFFAOYSA-N -1 0 307.324 0.059 10 0 DCAERM O=C([O-])C[C@H](CNS(=O)(=O)c1cncc(F)c1)C1CC1 ZINC000690444022 976294746 /nfs/dbraw/zinc/29/47/46/976294746.db2.gz ATIWDACVNRNVMG-SECBINFHSA-N -1 0 302.327 1.000 10 0 DCAERM C[C@H](CCNC(=O)NC[C@H](CC(=O)[O-])C1CC1)[S@](C)=O ZINC000690446925 976297122 /nfs/dbraw/zinc/29/71/22/976297122.db2.gz KVHWEONXSVDIPY-SSBAMLGTSA-N -1 0 304.412 0.944 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CO[C@H](C3CC3)C2)o1 ZINC000691319992 976352505 /nfs/dbraw/zinc/35/25/05/976352505.db2.gz YQOIAXVCAMNVOK-SCZZXKLOSA-N -1 0 301.320 0.824 10 0 DCAERM CCSC1(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC000691821466 976384125 /nfs/dbraw/zinc/38/41/25/976384125.db2.gz NPRIGNCXEAQLFD-NXEZZACHSA-N -1 0 302.396 0.749 10 0 DCAERM O=C([O-])[C@@H](O)CNC(=O)Cc1ccccc1Br ZINC000692436396 976475038 /nfs/dbraw/zinc/47/50/38/976475038.db2.gz ZCYQHGZGKCXYPR-VIFPVBQESA-N -1 0 302.124 0.553 10 0 DCAERM CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694172601 976674763 /nfs/dbraw/zinc/67/47/63/976674763.db2.gz HVXLMFYKKWLNMC-WPRPVWTQSA-N -1 0 303.336 0.759 10 0 DCAERM C[C@@H](CCNS(=O)(=O)c1cc(C(=O)[O-])co1)[S@@](C)=O ZINC000694213532 976684052 /nfs/dbraw/zinc/68/40/52/976684052.db2.gz XPPZVBFJUQQBPL-ULCDLSAGSA-N -1 0 309.365 0.413 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C[C@@]1(C)CO ZINC000694664503 976708987 /nfs/dbraw/zinc/70/89/87/976708987.db2.gz BQEHEWASEDGHGZ-PELKAZGASA-N -1 0 303.336 0.617 10 0 DCAERM O=C([O-])C1=CC[C@H](NC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000694956944 976756683 /nfs/dbraw/zinc/75/66/83/976756683.db2.gz YRCONSDQGXRGDL-VHSXEESVSA-N -1 0 302.352 0.036 10 0 DCAERM C[C@H](CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000697601305 976851780 /nfs/dbraw/zinc/85/17/80/976851780.db2.gz ZFNWAJPPMLAMMX-PSASIEDQSA-N -1 0 306.384 0.220 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)C1 ZINC000036979703 1171434756 /nfs/dbraw/zinc/43/47/56/1171434756.db2.gz YGVIUKRWCBNYDV-VHSXEESVSA-N -1 0 300.355 0.239 10 0 DCAERM CNC(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cn1 ZINC000263129340 290626022 /nfs/dbraw/zinc/62/60/22/290626022.db2.gz XQYIZLNITKABCD-GVXVVHGQSA-N -1 0 317.345 0.767 10 0 DCAERM O=C(NC[C@H](O)CN1CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000176439302 295677103 /nfs/dbraw/zinc/67/71/03/295677103.db2.gz ITDKNJNZTFGVAA-NSHDSACASA-N -1 0 314.769 0.469 10 0 DCAERM CCCS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262208768 283415835 /nfs/dbraw/zinc/41/58/35/283415835.db2.gz INTXJEJBZRZELG-GXFFZTMASA-N -1 0 303.380 0.525 10 0 DCAERM CC(C)C[C@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000094705256 193392831 /nfs/dbraw/zinc/39/28/31/193392831.db2.gz JVTAVGCSRKMTOW-MNOVXSKESA-N -1 0 320.411 0.562 10 0 DCAERM NC(=O)CC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000016026413 182029891 /nfs/dbraw/zinc/02/98/91/182029891.db2.gz DVJIJAYHBZALOJ-GFCCVEGCSA-N -1 0 303.318 0.545 10 0 endogenous,in-man DCAERM COc1ccc(NC(=O)CS(=O)(=O)CC(=O)[O-])cc1OC ZINC000019955733 182170227 /nfs/dbraw/zinc/17/02/27/182170227.db2.gz LPXHKYKRMBTWTG-UHFFFAOYSA-N -1 0 317.319 0.142 10 0 DCAERM CCOc1ccc(NC(=O)CS(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC000019955422 182170321 /nfs/dbraw/zinc/17/03/21/182170321.db2.gz YGNBHGKJRQHSJU-VIFPVBQESA-N -1 0 315.347 0.912 10 0 DCAERM COc1ccc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])cc1 ZINC000020431911 182216941 /nfs/dbraw/zinc/21/69/41/182216941.db2.gz DUGLFNRGIBBHNR-JQWIXIFHSA-N -1 0 315.347 0.558 10 0 DCAERM CC(=O)Nc1ccc(NS(=O)(=O)N(C)C)c(C(=O)[O-])c1 ZINC000021786538 182289037 /nfs/dbraw/zinc/28/90/37/182289037.db2.gz XFVHGSKXMOBGOM-UHFFFAOYSA-N -1 0 301.324 0.562 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(C)noc2C)C1 ZINC000021814591 182292930 /nfs/dbraw/zinc/29/29/30/182292930.db2.gz CLAGCKRDHNLOCW-IUCAKERBSA-N -1 0 304.324 0.154 10 0 DCAERM CCN(CC(=O)NC)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058739 182983793 /nfs/dbraw/zinc/98/37/93/182983793.db2.gz QNJVZOULAOLQKB-UHFFFAOYSA-N -1 0 306.365 0.203 10 0 DCAERM O=C([O-])Cc1ccc(S(=O)(=O)NCCn2ccnc2)s1 ZINC000041063981 183161089 /nfs/dbraw/zinc/16/10/89/183161089.db2.gz ZUYSIQRDJCEXIC-UHFFFAOYSA-N -1 0 315.376 0.550 10 0 DCAERM COC(=O)CCCS(=O)(=O)N(CC(=O)[O-])c1ccccc1 ZINC000049062048 183707955 /nfs/dbraw/zinc/70/79/55/183707955.db2.gz IQSSYOIFKVMYON-UHFFFAOYSA-N -1 0 315.347 0.861 10 0 DCAERM Cc1ccc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)c(F)c1 ZINC000275757408 130379967 /nfs/dbraw/zinc/37/99/67/130379967.db2.gz RHYPAHBWLNHMBL-LBPRGKRZSA-N -1 0 324.352 0.992 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000085325762 395699878 /nfs/dbraw/zinc/69/98/78/395699878.db2.gz SAJAFUCFDANJRS-XWLWVQCSSA-N -1 0 306.384 0.183 10 0 DCAERM CN(C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000085335641 395699998 /nfs/dbraw/zinc/69/99/98/395699998.db2.gz ZRGHKJQJFVRUNF-GARJFASQSA-N -1 0 318.395 0.458 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)c(F)c2)C1 ZINC000036983520 395725669 /nfs/dbraw/zinc/72/56/69/395725669.db2.gz FBVLKNBYQIUURH-BXKDBHETSA-N -1 0 317.338 0.997 10 0 DCAERM Cc1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c(C)s1 ZINC000037406547 395726786 /nfs/dbraw/zinc/72/67/86/395726786.db2.gz NWVPNXZALFFXMK-MRVPVSSYSA-N -1 0 320.392 0.362 10 0 DCAERM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037838939 395729628 /nfs/dbraw/zinc/72/96/28/395729628.db2.gz JYBNHSCTAWRLJQ-QMMMGPOBSA-N -1 0 318.376 0.345 10 0 DCAERM Cc1ccc(Cn2nccc2NC(=O)CN2CC(=O)NC2=O)o1 ZINC000111556443 395809093 /nfs/dbraw/zinc/80/90/93/395809093.db2.gz VAIHZQDDUMEVAI-UHFFFAOYSA-N -1 0 317.305 0.323 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000125624765 395904535 /nfs/dbraw/zinc/90/45/35/395904535.db2.gz UOPDKDVZRJORRH-VHSXEESVSA-N -1 0 301.368 0.777 10 0 DCAERM Cc1ccccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000130822247 395924156 /nfs/dbraw/zinc/92/41/56/395924156.db2.gz ZCMRRBZUYJKWEL-GFCCVEGCSA-N -1 0 309.347 0.833 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)c2ccccc2F)C(=O)[O-])cn1 ZINC000130841484 395924402 /nfs/dbraw/zinc/92/44/02/395924402.db2.gz IDJGIBBWIURFOH-LLVKDONJSA-N -1 0 313.310 0.663 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000230811611 395881633 /nfs/dbraw/zinc/88/16/33/395881633.db2.gz YQGPNIZJFUGMNQ-YUMQZZPRSA-N -1 0 321.786 0.995 10 0 DCAERM COc1cccc(-c2cc3c(=O)n(CC(=O)[O-])ncn3n2)c1 ZINC000070459477 396101835 /nfs/dbraw/zinc/10/18/35/396101835.db2.gz HZHHQILNODHTEK-UHFFFAOYSA-N -1 0 300.274 0.651 10 0 DCAERM Cc1nc(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)cn1C ZINC000070556164 396102910 /nfs/dbraw/zinc/10/29/10/396102910.db2.gz KXVLMRKCMCITJB-ZJUUUORDSA-N -1 0 301.368 0.650 10 0 DCAERM O=C([O-])c1ccc(-n2cc(I)cn2)nn1 ZINC000070677511 396103566 /nfs/dbraw/zinc/10/35/66/396103566.db2.gz PGRMSCQVSHUEIJ-UHFFFAOYSA-N -1 0 316.058 0.965 10 0 DCAERM COc1cc(OC)c(S(=O)(=O)N[C@H](C)C(=O)[O-])c(OC)c1 ZINC000262409187 396136710 /nfs/dbraw/zinc/13/67/10/396136710.db2.gz SGYFLWSYVKNBNX-SSDOTTSWSA-N -1 0 319.335 0.464 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CNC(=O)CCC(C)C)C1 ZINC000263181780 396205321 /nfs/dbraw/zinc/20/53/21/396205321.db2.gz WZQYXEVJXQDAQX-NWDGAFQWSA-N -1 0 314.382 0.629 10 0 DCAERM Cc1nnc2n1C[C@H](C(=O)[O-])N(CCN(C)c1ccccc1)C2 ZINC000263571957 396220874 /nfs/dbraw/zinc/22/08/74/396220874.db2.gz KEWJMJAFRVMPAS-CQSZACIVSA-N -1 0 315.377 0.992 10 0 DCAERM Cc1[nH]nc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)c1C(N)=O ZINC000185610996 396331101 /nfs/dbraw/zinc/33/11/01/396331101.db2.gz DFGIZABJBLIFPQ-SSDOTTSWSA-N -1 0 301.372 0.206 10 0 DCAERM CC[C@H]1CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000292004547 396524596 /nfs/dbraw/zinc/52/45/96/396524596.db2.gz VFOZUCBKYXAKOX-ZETCQYMHSA-N -1 0 310.335 0.609 10 0 DCAERM O=C([O-])COCCN1CCN(c2ncnc3sccc32)CC1 ZINC000581137619 396529317 /nfs/dbraw/zinc/52/93/17/396529317.db2.gz WZODQLPXJHOBBP-UHFFFAOYSA-N -1 0 322.390 0.915 10 0 DCAERM O=C([O-])C[C@H](CCNS(=O)(=O)c1c[nH]cn1)C(F)(F)F ZINC000312347926 396764551 /nfs/dbraw/zinc/76/45/51/396764551.db2.gz HOPRNRPJHVJVLJ-LURJTMIESA-N -1 0 315.273 0.731 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000383665052 397278374 /nfs/dbraw/zinc/27/83/74/397278374.db2.gz RPSIEGKIWRIIRQ-ZCFIWIBFSA-N -1 0 321.273 0.265 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036983302 157987655 /nfs/dbraw/zinc/98/76/55/157987655.db2.gz HOAFEFJVYVRRRD-WDEREUQCSA-N -1 0 303.311 0.175 10 0 DCAERM CC(C)C[C@H](CNC(=O)N[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000094706261 158122984 /nfs/dbraw/zinc/12/29/84/158122984.db2.gz XETDVRLBEKUUFK-NXEZZACHSA-N -1 0 308.400 0.466 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C)O1 ZINC000121281006 158208769 /nfs/dbraw/zinc/20/87/69/158208769.db2.gz NRPRCOPFDQGFFA-XVKPBYJWSA-N -1 0 301.368 0.409 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000122466481 158221106 /nfs/dbraw/zinc/22/11/06/158221106.db2.gz XTZLWKFFAMPAHF-NSHDSACASA-N -1 0 315.395 0.971 10 0 DCAERM CCNC(=O)C1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000126203148 158263310 /nfs/dbraw/zinc/26/33/10/158263310.db2.gz HSHAOJQBXFJOAW-UHFFFAOYSA-N -1 0 314.345 0.786 10 0 DCAERM Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000229337912 158621563 /nfs/dbraw/zinc/62/15/63/158621563.db2.gz NWKBNUDQDDHFLJ-GFCCVEGCSA-N -1 0 305.327 0.556 10 0 DCAERM NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000262154260 158779526 /nfs/dbraw/zinc/77/95/26/158779526.db2.gz PJSSVMHYOMGFDR-MNOVXSKESA-N -1 0 312.347 0.061 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262258318 158790519 /nfs/dbraw/zinc/79/05/19/158790519.db2.gz FVVTYVWYIWYONI-UHFFFAOYSA-N -1 0 314.363 0.534 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)[C@H]2CSc3ccccc32)nn1 ZINC000262304187 158794502 /nfs/dbraw/zinc/79/45/02/158794502.db2.gz OZSFJLZQOXUYRX-NSHDSACASA-N -1 0 318.358 0.868 10 0 DCAERM C/C=C/C[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000263257476 158865662 /nfs/dbraw/zinc/86/56/62/158865662.db2.gz IURXZCPCOJDVAJ-HLKOZVMDSA-N -1 0 321.420 0.442 10 0 DCAERM CCN1C[C@H](NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000263342264 158874037 /nfs/dbraw/zinc/87/40/37/158874037.db2.gz FQGSGGSGNYSBIA-FIXISWKDSA-N -1 0 309.366 0.504 10 0 DCAERM Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)o1 ZINC000407991235 160005757 /nfs/dbraw/zinc/00/57/57/160005757.db2.gz UCKBIEXGCJCPKH-VIFPVBQESA-N -1 0 312.351 0.980 10 0 DCAERM CC(C)[C@@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408481992 160117654 /nfs/dbraw/zinc/11/76/54/160117654.db2.gz GOJRJPBGQACKFK-SRVKXCTJSA-N -1 0 305.396 0.673 10 0 DCAERM C[C@@]1(CC(=O)[N-]S(=O)(=O)C2COC2)CC1(Cl)Cl ZINC000408497587 160119711 /nfs/dbraw/zinc/11/97/11/160119711.db2.gz RQTOPISOPXRMPM-MRVPVSSYSA-N -1 0 302.179 0.805 10 0 DCAERM O=C([N-]S(=O)(=O)c1cccnn1)c1n[nH]c2c1CCCCC2 ZINC000408500385 160120283 /nfs/dbraw/zinc/12/02/83/160120283.db2.gz NIVAHOAFIPSWOV-UHFFFAOYSA-N -1 0 321.362 0.587 10 0 DCAERM Cn1cc(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)cn1 ZINC000090932986 286935736 /nfs/dbraw/zinc/93/57/36/286935736.db2.gz XCQALQGJMFDWCT-UHFFFAOYSA-N -1 0 302.337 0.053 10 0 DCAERM CCn1cnc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])c1 ZINC000092890182 286937344 /nfs/dbraw/zinc/93/73/44/286937344.db2.gz RMITYSAZBQGNCE-JGVFFNPUSA-N -1 0 305.381 0.440 10 0 DCAERM COC[C@H](C)NS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC000036889115 415191731 /nfs/dbraw/zinc/19/17/31/415191731.db2.gz UNBHYPCUWKEOCU-VIFPVBQESA-N -1 0 317.363 0.636 10 0 DCAERM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038059068 415194482 /nfs/dbraw/zinc/19/44/82/415194482.db2.gz OYPUCJGWQARKBN-ZETCQYMHSA-N -1 0 318.376 0.345 10 0 DCAERM CCn1cc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)nc1C ZINC000050265519 415314156 /nfs/dbraw/zinc/31/41/56/415314156.db2.gz ARIQFZLXIHNOLP-UHFFFAOYSA-N -1 0 301.368 0.697 10 0 DCAERM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000068371565 415395487 /nfs/dbraw/zinc/39/54/87/415395487.db2.gz CLHWYGDPHDZVLI-VHSXEESVSA-N -1 0 316.361 0.956 10 0 DCAERM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCOC1 ZINC000109546483 415682982 /nfs/dbraw/zinc/68/29/82/415682982.db2.gz FEGCINMSHPRQPB-VIFPVBQESA-N -1 0 315.347 0.856 10 0 DCAERM CC[S@](=O)c1ccccc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357059976 416027357 /nfs/dbraw/zinc/02/73/57/416027357.db2.gz UUCXRWDPCJDSGD-NRFANRHFSA-N -1 0 305.363 0.746 10 0 DCAERM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N[C@H]1CCCOC1 ZINC000175347986 416103739 /nfs/dbraw/zinc/10/37/39/416103739.db2.gz ZKLDHLIBBIAUIH-JTQLQIEISA-N -1 0 319.386 0.980 10 0 DCAERM CCCc1nc(=N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)s[n-]1 ZINC000360047056 416368344 /nfs/dbraw/zinc/36/83/44/416368344.db2.gz JAWQKDLVKVMJIF-DTWKUNHWSA-N -1 0 314.411 0.781 10 0 DCAERM Cc1nc(S(=O)(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000583500239 416469165 /nfs/dbraw/zinc/46/91/65/416469165.db2.gz QVHXLHNNDALBTQ-WCBMZHEXSA-N -1 0 301.368 0.460 10 0 DCAERM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](O)Cc2cnn(C)c2)c1 ZINC000436843192 416572702 /nfs/dbraw/zinc/57/27/02/416572702.db2.gz YUKFMDYRTCQKIX-AWEZNQCLSA-N -1 0 303.318 0.870 10 0 DCAERM C[C@@H]1CCN(C(=O)NCC2([S@](C)=O)CC2)C[C@H]1C(=O)[O-] ZINC000517560686 416807795 /nfs/dbraw/zinc/80/77/95/416807795.db2.gz SSZLBGDSVNLFPB-ZLMDCXFVSA-N -1 0 302.396 0.650 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCO[C@H](c2nnn[n-]2)CC1 ZINC000616593097 417084249 /nfs/dbraw/zinc/08/42/49/417084249.db2.gz IQECYTJHVYXQAM-NSHDSACASA-N -1 0 309.351 0.352 10 0 DCAERM NS(=O)(=O)N1CCOCC[C@H]1c1ccccc1C(=O)[O-] ZINC000616660524 417090459 /nfs/dbraw/zinc/09/04/59/417090459.db2.gz SYTMONFXXSQLGS-NSHDSACASA-N -1 0 300.336 0.352 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CO1 ZINC000408275842 417152172 /nfs/dbraw/zinc/15/21/72/417152172.db2.gz DWACNQLGBWDDDJ-SECBINFHSA-N -1 0 307.368 0.011 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000530152588 417545397 /nfs/dbraw/zinc/54/53/97/417545397.db2.gz XWTJAWLEUGEGSC-CMPLNLGQSA-N -1 0 306.384 0.139 10 0 DCAERM O=C([O-])C1(CNC(=O)N[C@H]2CCCC[C@H]2O)CCOCC1 ZINC000166152743 545878064 /nfs/dbraw/zinc/87/80/64/545878064.db2.gz NKKISCYHWPIEEP-WDEREUQCSA-N -1 0 300.355 0.471 10 0 DCAERM CCCc1nc(=NC(=O)[C@@](C)(O)Cn2ccccc2=O)s[n-]1 ZINC000439559178 271642651 /nfs/dbraw/zinc/64/26/51/271642651.db2.gz BTFZYYIANZTPRV-AWEZNQCLSA-N -1 0 322.390 0.464 10 0 DCAERM CCO[C@@H]1C[C@]([N-]S(=O)(=O)C2COC2)(C(=O)OC)C1(C)C ZINC000494410727 272221394 /nfs/dbraw/zinc/22/13/94/272221394.db2.gz LIROMMPANHAJCI-MFKMUULPSA-N -1 0 321.395 0.051 10 0 DCAERM Cc1nc(S(=O)(=O)NCCc2cccc(C(=O)[O-])n2)c[nH]1 ZINC000541000163 287914926 /nfs/dbraw/zinc/91/49/26/287914926.db2.gz BPLDZMKNJHJHIH-UHFFFAOYSA-N -1 0 310.335 0.332 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000368652991 277998331 /nfs/dbraw/zinc/99/83/31/277998331.db2.gz PEFFWKQBSDAQCI-PWSUYJOCSA-N -1 0 320.411 0.418 10 0 DCAERM CC(C)(C)OC(=O)N1CC[C@@]2(C1)[C@@H](C(=O)[O-])CCS2(=O)=O ZINC000091302942 278409613 /nfs/dbraw/zinc/40/96/13/278409613.db2.gz JLGMRHTZBBORJA-NOZJJQNGSA-N -1 0 319.379 0.885 10 0 DCAERM NC(=O)c1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000550157434 288211997 /nfs/dbraw/zinc/21/19/97/288211997.db2.gz BRJDKGWOAYTYGX-LLVKDONJSA-N -1 0 315.333 0.629 10 0 DCAERM CCc1oc(C(=O)NCCCS(C)(=O)=O)cc1C(=O)[O-] ZINC000261620287 288665653 /nfs/dbraw/zinc/66/56/53/288665653.db2.gz HOKNACMYWMTWQQ-UHFFFAOYSA-N -1 0 303.336 0.705 10 0 DCAERM CC(C)C[C@H](CNC(=O)NC[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000564840001 288775136 /nfs/dbraw/zinc/77/51/36/288775136.db2.gz KBKRHGJSWOBTPY-NXEZZACHSA-N -1 0 308.400 0.466 10 0 DCAERM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000408498123 289012808 /nfs/dbraw/zinc/01/28/08/289012808.db2.gz KLGTWLHNTAUBPS-WDEREUQCSA-N -1 0 302.396 0.489 10 0 DCAERM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000408501801 289012811 /nfs/dbraw/zinc/01/28/11/289012811.db2.gz RFYQBTZHPHHTTI-IIRVCBMXSA-N -1 0 314.407 0.345 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000262393611 293923320 /nfs/dbraw/zinc/92/33/20/293923320.db2.gz BPNUSYRSRNWUML-YNEHKIRRSA-N -1 0 324.377 0.336 10 0 DCAERM COc1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])cc1 ZINC000038983351 295194515 /nfs/dbraw/zinc/19/45/15/295194515.db2.gz RFTUHYGDLMRPJB-NSHDSACASA-N -1 0 317.388 0.886 10 0 DCAERM NC(=O)C1CCC(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000263215946 303239094 /nfs/dbraw/zinc/23/90/94/303239094.db2.gz JJKFXUIEKSGRIG-FHXOHEKPSA-N -1 0 323.393 0.927 10 0 DCAERM NC(=O)[C@@H]1CC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)O1 ZINC000263475233 303304103 /nfs/dbraw/zinc/30/41/03/303304103.db2.gz ZABKQTZKDDBMML-WTPMCQDGSA-N -1 0 310.350 0.264 10 0 DCAERM C/C=C\C[C@H](NC(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-] ZINC000582464557 337093036 /nfs/dbraw/zinc/09/30/36/337093036.db2.gz XWXNKQPZDDGXSW-DQOJRVPBSA-N -1 0 300.355 0.901 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])C1 ZINC000380046098 341887621 /nfs/dbraw/zinc/88/76/21/341887621.db2.gz ZYENMNOKXSGXLF-HTQZYQBOSA-N -1 0 318.317 0.958 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000237120031 523765242 /nfs/dbraw/zinc/76/52/42/523765242.db2.gz ADLVUEPEIOHQLS-MRCXROJRSA-N -1 0 323.393 0.916 10 0 DCAERM Cc1ccc(C)n1-c1c(C(=O)N[C@@H](CF)C(=O)[O-])cnn1C ZINC000262864862 524216990 /nfs/dbraw/zinc/21/69/90/524216990.db2.gz FMSUWDNMSPZAIO-NSHDSACASA-N -1 0 308.313 0.980 10 0 DCAERM C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)CC(=O)[O-] ZINC000157937004 524438529 /nfs/dbraw/zinc/43/85/29/524438529.db2.gz KTNLBDBDCNPYDB-JGVFFNPUSA-N -1 0 310.272 0.624 10 0 DCAERM Cc1ccccc1S([O-])=CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000157089368 525450291 /nfs/dbraw/zinc/45/02/91/525450291.db2.gz RQNZPVYWLHHMFD-LAJNKCICSA-N -1 0 308.403 0.827 10 0 DCAERM Cc1ccc(S([O-])=CC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000156990745 526090438 /nfs/dbraw/zinc/09/04/38/526090438.db2.gz KEFZWLLIRIBDAM-XUSGNXJCSA-N -1 0 308.403 0.827 10 0 DCAERM CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000299658339 526595852 /nfs/dbraw/zinc/59/58/52/526595852.db2.gz OPCNAHSXTUJQKL-LBPRGKRZSA-N -1 0 316.317 0.979 10 0 DCAERM COCCN(CCOC)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085336988 545704637 /nfs/dbraw/zinc/70/46/37/545704637.db2.gz JBKVOWZPIKQXLX-NWDGAFQWSA-N -1 0 302.371 0.934 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c[nH]1 ZINC000085975925 545706786 /nfs/dbraw/zinc/70/67/86/545706786.db2.gz FCYMIAOIOUSHNO-LDYMZIIASA-N -1 0 302.352 0.542 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000159543442 545860345 /nfs/dbraw/zinc/86/03/45/545860345.db2.gz QVZCYSPDRQVMMY-MLUIRONXSA-N -1 0 311.718 0.591 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])on1 ZINC000333638401 546087645 /nfs/dbraw/zinc/08/76/45/546087645.db2.gz WVUCUNIHSJVKKU-LDYMZIIASA-N -1 0 302.352 0.998 10 0 DCAERM CC[C@@H]1C[C@@H](C(=O)[O-])[C@H](C(=O)N=S2(=O)CCNCC2)C1 ZINC000712148265 548749152 /nfs/dbraw/zinc/74/91/52/548749152.db2.gz OGMVZSSPPZJCSX-HBNTYKKESA-N -1 0 302.396 0.721 10 0 DCAERM CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000002564625 571682928 /nfs/dbraw/zinc/68/29/28/571682928.db2.gz KYPMKDGKAYQCHO-RYUDHWBXSA-N -1 0 312.391 0.585 10 0 endogenous,in-man DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)NC[C@@H](CCO)c2ccccc2)O1 ZINC000262332303 657549813 /nfs/dbraw/zinc/54/98/13/657549813.db2.gz VHERADOZMJCLOR-HZSPNIEDSA-N -1 0 307.346 0.901 10 0 DCAERM CO[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[C@H]1C ZINC000299936475 659665467 /nfs/dbraw/zinc/66/54/67/659665467.db2.gz LGSSLXWWROFYRU-KCJUWKMLSA-N -1 0 302.352 0.758 10 0 DCAERM CN(C)S(=O)(=O)N1CCC(n2cccc2C(=O)[O-])CC1 ZINC000054441720 662753412 /nfs/dbraw/zinc/75/34/12/662753412.db2.gz MNCFQUJKCVIGDZ-UHFFFAOYSA-N -1 0 301.368 0.630 10 0 DCAERM C=CCN1C(=O)c2ccc(C(=O)[N-]S(C)(=O)=O)cc2C1=O ZINC000042280293 663191371 /nfs/dbraw/zinc/19/13/71/663191371.db2.gz XPHQNEYQDPLMCC-UHFFFAOYSA-N -1 0 308.315 0.733 10 0 DCAERM C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000149301991 663665622 /nfs/dbraw/zinc/66/56/22/663665622.db2.gz AEXLXYUMSHVWED-XVKPBYJWSA-N -1 0 303.311 0.980 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N1CCO[C@@H](C(F)(F)F)[C@@H]1C ZINC000888321389 667161954 /nfs/dbraw/zinc/16/19/54/667161954.db2.gz PRVRVVZCYKBBNH-NKWVEPMBSA-N -1 0 308.264 0.298 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000888321390 667162054 /nfs/dbraw/zinc/16/20/54/667162054.db2.gz PRVRVVZCYKBBNH-RNFRBKRXSA-N -1 0 308.264 0.298 10 0 DCAERM CCc1ocnc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886078379 667729702 /nfs/dbraw/zinc/72/97/02/667729702.db2.gz XJTLBMHAAQMWNQ-OAHLLOKOSA-N -1 0 323.349 0.239 10 0 DCAERM Cc1[nH]ccc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886096620 667731694 /nfs/dbraw/zinc/73/16/94/667731694.db2.gz GWAZCAGTOYKCMX-HNNXBMFYSA-N -1 0 307.350 0.325 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC000037592580 667877518 /nfs/dbraw/zinc/87/75/18/667877518.db2.gz UPQVRMNHPUAGPF-UHFFFAOYSA-N -1 0 319.360 0.772 10 0 DCAERM CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1nccs1 ZINC000124394862 667971371 /nfs/dbraw/zinc/97/13/71/667971371.db2.gz ABBQHKDKUIWEST-VIFPVBQESA-N -1 0 303.409 0.968 10 0 DCAERM Cn1ncnc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000126983467 668701047 /nfs/dbraw/zinc/70/10/47/668701047.db2.gz HPOWOLBMGLGVEX-UHFFFAOYSA-N -1 0 312.742 0.917 10 0 DCAERM O=C([O-])[C@]12CN(S(=O)(=O)c3cccs3)C[C@H]1COCC2 ZINC000715879569 670224229 /nfs/dbraw/zinc/22/42/29/670224229.db2.gz IXFOBVZVSFNTCI-JOYOIKCWSA-N -1 0 317.388 0.860 10 0 DCAERM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000103805433 670931804 /nfs/dbraw/zinc/93/18/04/670931804.db2.gz OCNNNRJYFDRIIO-UHFFFAOYSA-N -1 0 304.393 0.648 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000720410310 685313575 /nfs/dbraw/zinc/31/35/75/685313575.db2.gz OFONFXUVSYHZHH-SNVBAGLBSA-N -1 0 306.384 0.139 10 0 DCAERM O=C([O-])Cn1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000090720023 685102947 /nfs/dbraw/zinc/10/29/47/685102947.db2.gz VRXXTXDEBHXYMJ-ZETCQYMHSA-N -1 0 306.244 0.777 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000252468624 685186233 /nfs/dbraw/zinc/18/62/33/685186233.db2.gz VLZWWLCZICVMQA-MNOVXSKESA-N -1 0 320.411 0.560 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1O ZINC000387873844 1158950615 /nfs/dbraw/zinc/95/06/15/1158950615.db2.gz KNUJPEOBTXXXNP-HQJQHLMTSA-N -1 0 302.308 0.302 10 0 DCAERM C[C@@H](CCCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000123265200 1177042083 /nfs/dbraw/zinc/04/20/83/1177042083.db2.gz DZUXZBGUIYFSGY-VHSXEESVSA-N -1 0 306.384 0.316 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000262139357 1185162013 /nfs/dbraw/zinc/16/20/13/1185162013.db2.gz LSNUYXDWVUPOFC-ZWNOBZJWSA-N -1 0 320.345 0.980 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000262100102 1185162106 /nfs/dbraw/zinc/16/21/06/1185162106.db2.gz GSTMPSGIKVWJDP-JTQLQIEISA-N -1 0 308.400 0.131 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cn3ccc(C)cc3n2)C1 ZINC000262115544 1185162614 /nfs/dbraw/zinc/16/26/14/1185162614.db2.gz HQXPIVSTBRKBOQ-CMPLNLGQSA-N -1 0 303.318 0.957 10 0 DCAERM CCCNC(=O)CCCC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000262188165 1185163600 /nfs/dbraw/zinc/16/36/00/1185163600.db2.gz TZVLTLSZLHVMDD-GHMZBOCLSA-N -1 0 300.355 0.383 10 0 DCAERM C[C@H](Oc1ccccc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262335644 1185165305 /nfs/dbraw/zinc/16/53/05/1185165305.db2.gz SYQNFNPMJAFVTO-JTQLQIEISA-N -1 0 304.306 0.446 10 0 DCAERM CO[C@H](CNC(=O)CNC(=O)CC1CCCCC1)C(=O)[O-] ZINC000263093485 1185177302 /nfs/dbraw/zinc/17/73/02/1185177302.db2.gz NHMBBDFRHSJPKT-LLVKDONJSA-N -1 0 300.355 0.289 10 0 DCAERM Cc1nccc(N2CCN(C(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CC2)n1 ZINC000263544464 1185179284 /nfs/dbraw/zinc/17/92/84/1185179284.db2.gz GARAVOWJAFJLHD-QWHCGFSZSA-N -1 0 318.377 0.790 10 0 DCAERM CCOCC(C)(C)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689201876 954643674 /nfs/dbraw/zinc/64/36/74/954643674.db2.gz NYHIECCKPMHVNX-JTQLQIEISA-N -1 0 308.400 0.433 10 0 DCAERM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCCCS(C)(=O)=O)C1 ZINC000692801597 954711218 /nfs/dbraw/zinc/71/12/18/954711218.db2.gz BDAVZMDLXCTXHZ-GFCCVEGCSA-N -1 0 306.384 0.317 10 0 DCAERM COCC(COC)S(=O)(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000687074495 976132972 /nfs/dbraw/zinc/13/29/72/976132972.db2.gz DGKGITHWTQPQPM-LBPRGKRZSA-N -1 0 309.384 0.211 10 0 DCAERM Cn1ncc(Br)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000693072296 976586844 /nfs/dbraw/zinc/58/68/44/976586844.db2.gz XMNLNNPDMSKEMM-ZETCQYMHSA-N -1 0 318.127 0.108 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCCC3(C2)OCCO3)c1 ZINC000694194291 976679262 /nfs/dbraw/zinc/67/92/62/976679262.db2.gz CKCMLCSKBNTPFU-UHFFFAOYSA-N -1 0 317.319 0.505 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@]1(C)CO ZINC000694666624 976708078 /nfs/dbraw/zinc/70/80/78/976708078.db2.gz KSXHEWOBGUDGEU-PELKAZGASA-N -1 0 302.352 0.352 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2CCO[C@H](C3CC3)C2)o1 ZINC000695339995 976794017 /nfs/dbraw/zinc/79/40/17/976794017.db2.gz GKNVFGBOCFJJNR-JTQLQIEISA-N -1 0 301.320 0.777 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)c2ncsc2Br)CCOC1 ZINC000698549149 976892210 /nfs/dbraw/zinc/89/22/10/976892210.db2.gz DMVRCWQAZDDFCO-SECBINFHSA-N -1 0 321.152 0.879 10 0 DCAERM C[C@](O)(CNS(=O)(=O)c1ccc(C(=O)[O-])o1)C(F)(F)F ZINC000698594673 976895297 /nfs/dbraw/zinc/89/52/97/976895297.db2.gz JMBZXIHYPZSQOK-QMMMGPOBSA-N -1 0 317.241 0.569 10 0 DCAERM O=C([O-])[C@]1(O)CCN(C(=O)c2ncsc2Br)C1 ZINC000698621659 976896799 /nfs/dbraw/zinc/89/67/99/976896799.db2.gz AKRCSTALJYRCKA-VIFPVBQESA-N -1 0 321.152 0.567 10 0 DCAERM COCC[C@@H](NC(=O)c1nn(C)cc1Br)C(=O)[O-] ZINC000822052399 978927868 /nfs/dbraw/zinc/92/78/68/978927868.db2.gz BAXWYJFIMSDOHB-SSDOTTSWSA-N -1 0 320.143 0.402 10 0 DCAERM CC[C@H](C)[C@H](NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)[O-] ZINC000823491206 978938689 /nfs/dbraw/zinc/93/86/89/978938689.db2.gz WXBQYYUGHPZDLR-KWQFWETISA-N -1 0 320.349 0.501 10 0 DCAERM C[C@@]12CCC(=O)N1[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)CS2 ZINC000036884330 545645677 /nfs/dbraw/zinc/64/56/77/545645677.db2.gz WPUBYYVZUZAQMC-QMTHXVAHSA-N -1 0 312.391 0.764 10 0 DCAERM CCCC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](OC)C(=O)[O-] ZINC000262939013 282575912 /nfs/dbraw/zinc/57/59/12/282575912.db2.gz ZHGBYEXBBGBMHL-WDEREUQCSA-N -1 0 300.355 0.383 10 0 DCAERM COC(=O)c1c(C)nn2c1ncc1c2ccn(CC(=O)[O-])c1=O ZINC000072466536 191174418 /nfs/dbraw/zinc/17/44/18/191174418.db2.gz KHHQLPWYCPMUDE-UHFFFAOYSA-N -1 0 316.273 0.224 10 0 DCAERM CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000005639321 181267366 /nfs/dbraw/zinc/26/73/66/181267366.db2.gz UKWOISDEPIVXRB-UONOGXRCSA-N -1 0 304.346 0.809 10 0 DCAERM CC(=O)Nc1ccc(NS(=O)(=O)NC2CC2)c(C(=O)[O-])c1 ZINC000159568447 291235487 /nfs/dbraw/zinc/23/54/87/291235487.db2.gz LFMMYZCTPBQEOV-UHFFFAOYSA-N -1 0 313.335 0.752 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000164859649 291248309 /nfs/dbraw/zinc/24/83/09/291248309.db2.gz BJBAKRKDRKFRML-CABZTGNLSA-N -1 0 307.368 0.502 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000164881911 291248353 /nfs/dbraw/zinc/24/83/53/291248353.db2.gz MSXULKBDEHIAQV-SKDRFNHKSA-N -1 0 301.368 0.948 10 0 DCAERM C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CCCC1 ZINC000172135933 296108571 /nfs/dbraw/zinc/10/85/71/296108571.db2.gz QHOCLTNTURJJIV-MRVPVSSYSA-N -1 0 302.334 0.920 10 0 DCAERM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)OC1=C([O-])CCC1=O ZINC000255187154 202907458 /nfs/dbraw/zinc/90/74/58/202907458.db2.gz BOJZLFANENSTQK-XCBNKYQSSA-N -1 0 315.322 0.104 10 0 DCAERM CC(C)C[C@@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000094705255 193393348 /nfs/dbraw/zinc/39/33/48/193393348.db2.gz JVTAVGCSRKMTOW-QWRGUYRKSA-N -1 0 320.411 0.562 10 0 DCAERM O=C([O-])c1ccc(NC(=O)CN2C(=O)CSC2=O)cc1O ZINC000016905319 182064482 /nfs/dbraw/zinc/06/44/82/182064482.db2.gz MXPIVUUZVKJOHD-UHFFFAOYSA-N -1 0 310.287 0.724 10 0 DCAERM Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])n1 ZINC000019803777 182151537 /nfs/dbraw/zinc/15/15/37/182151537.db2.gz SROBTKAAIVBDFZ-JTQLQIEISA-N -1 0 300.336 0.008 10 0 DCAERM CCOc1ccccc1NC(=O)CS(=O)(=O)CCC(=O)[O-] ZINC000019954550 182170377 /nfs/dbraw/zinc/17/03/77/182170377.db2.gz IHVIBKXUIKOMOM-UHFFFAOYSA-N -1 0 315.347 0.913 10 0 DCAERM Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000040396329 183060886 /nfs/dbraw/zinc/06/08/86/183060886.db2.gz QMZMEDCSFUCSSN-SCZZXKLOSA-N -1 0 319.766 0.857 10 0 DCAERM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043509545 183368839 /nfs/dbraw/zinc/36/88/39/183368839.db2.gz PRJNQAJNUYLFKJ-SDBXPKJASA-N -1 0 302.396 0.614 10 0 DCAERM CS(=O)(=O)CCS(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000063143566 184273788 /nfs/dbraw/zinc/27/37/88/184273788.db2.gz OWOLIJQMDSOUFB-UHFFFAOYSA-N -1 0 303.365 0.349 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000089427322 395711790 /nfs/dbraw/zinc/71/17/90/395711790.db2.gz DZWASMJQKJLAIK-GHMZBOCLSA-N -1 0 315.395 0.816 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000036983539 395725900 /nfs/dbraw/zinc/72/59/00/395725900.db2.gz ASTVRMXBUPPKQX-ONGXEEELSA-N -1 0 321.301 0.827 10 0 DCAERM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000037838925 395729270 /nfs/dbraw/zinc/72/92/70/395729270.db2.gz MSBRGZPIPUSZTC-JTQLQIEISA-N -1 0 312.347 0.284 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC(C)(C)O1 ZINC000045701400 395765629 /nfs/dbraw/zinc/76/56/29/395765629.db2.gz OFZKMUTWZJEORJ-SSDOTTSWSA-N -1 0 303.340 0.296 10 0 DCAERM CCOCCS(=O)(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000110788844 395801934 /nfs/dbraw/zinc/80/19/34/395801934.db2.gz FIEDOKOJJBRUDS-UHFFFAOYSA-N -1 0 308.381 0.606 10 0 DCAERM COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000054053802 395893171 /nfs/dbraw/zinc/89/31/71/395893171.db2.gz QTQVAMFYUPKWDU-ZCFIWIBFSA-N -1 0 319.335 0.777 10 0 DCAERM Cn1cc([C@H](NS(=O)(=O)c2cccs2)C(=O)[O-])cn1 ZINC000126488169 395913468 /nfs/dbraw/zinc/91/34/68/395913468.db2.gz PPMXVELSJAGAMM-VIFPVBQESA-N -1 0 301.349 0.586 10 0 DCAERM CCC[C@H](CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000226935196 395867339 /nfs/dbraw/zinc/86/73/39/395867339.db2.gz YVVXBIUTKHUMHF-GARJFASQSA-N -1 0 308.400 0.431 10 0 DCAERM CC(C)(C)CCS(=O)(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000227768593 395869650 /nfs/dbraw/zinc/86/96/50/395869650.db2.gz FRPCRFIPKUVNMZ-LBPRGKRZSA-N -1 0 303.384 0.036 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])no1 ZINC000229213926 395874200 /nfs/dbraw/zinc/87/42/00/395874200.db2.gz DAUJTSYTYKHSDW-KCJUWKMLSA-N -1 0 302.352 0.998 10 0 DCAERM O=C([O-])Cc1csc(NC(=O)C(=S)N2CCOCC2)n1 ZINC000256030315 396033654 /nfs/dbraw/zinc/03/36/54/396033654.db2.gz MMWXLIIMTUYNDD-UHFFFAOYSA-N -1 0 315.376 0.368 10 0 DCAERM CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2ccncc2)[C@H]1N ZINC000257352965 396046167 /nfs/dbraw/zinc/04/61/67/396046167.db2.gz ONSFXVYQSMKKRO-GRYCIOLGSA-N -1 0 307.350 0.766 10 0 DCAERM O=C([O-])[C@H]1CC[C@H]1C(=O)NCCC(=O)NCc1ccccc1 ZINC000262213473 396111568 /nfs/dbraw/zinc/11/15/68/396111568.db2.gz TYMDWEXZBOESQC-OLZOCXBDSA-N -1 0 304.346 0.920 10 0 DCAERM CN1C[C@H](C(=O)NCCc2ccc(OCC(=O)[O-])cc2)CC1=O ZINC000262842437 396186847 /nfs/dbraw/zinc/18/68/47/396186847.db2.gz UCUZELCKNQKKKB-GFCCVEGCSA-N -1 0 320.345 0.287 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000262993145 396196178 /nfs/dbraw/zinc/19/61/78/396196178.db2.gz LPBQWJDDIJXLAO-INIZCTEOSA-N -1 0 317.345 0.986 10 0 DCAERM Cc1nnc2n1C[C@@H](C(=O)[O-])N(CCN(C)c1ccccc1)C2 ZINC000263571956 396220543 /nfs/dbraw/zinc/22/05/43/396220543.db2.gz KEWJMJAFRVMPAS-AWEZNQCLSA-N -1 0 315.377 0.992 10 0 DCAERM COCCNC(=O)CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184397798 396294102 /nfs/dbraw/zinc/29/41/02/396294102.db2.gz OCWNRLLCQGNJEZ-UHFFFAOYSA-N -1 0 304.705 0.677 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCC23CC3)C1 ZINC000634653755 396894080 /nfs/dbraw/zinc/89/40/80/396894080.db2.gz INYDVEOVSHNQHU-GHMZBOCLSA-N -1 0 302.396 0.950 10 0 DCAERM NC(=O)C[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000376670570 396961361 /nfs/dbraw/zinc/96/13/61/396961361.db2.gz GDQYAYRPERHYDN-SECBINFHSA-N -1 0 312.347 0.271 10 0 DCAERM CO[C@@H]1CN(C(=O)N[C@H]2CCCn3nccc32)[C@](C)(C(=O)[O-])C1 ZINC000630504145 397033548 /nfs/dbraw/zinc/03/35/48/397033548.db2.gz FDAWSPLDMLPHPU-PGUXBMHVSA-N -1 0 322.365 0.992 10 0 DCAERM COCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630649318 397070086 /nfs/dbraw/zinc/07/00/86/397070086.db2.gz IQJIQPPURJDYEH-KBPBESRZSA-N -1 0 306.362 0.867 10 0 DCAERM C[C@H](CN(C)C(=O)C1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000378180818 397206856 /nfs/dbraw/zinc/20/68/56/397206856.db2.gz XVQKKIAETZKWCQ-LLVKDONJSA-N -1 0 306.366 0.872 10 0 DCAERM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]1C(=O)[O-] ZINC000384563413 397281273 /nfs/dbraw/zinc/28/12/73/397281273.db2.gz HXAFOAZFNWDRCW-SECBINFHSA-N -1 0 300.292 0.751 10 0 DCAERM Cc1nc(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(C)s1 ZINC000487334966 397469405 /nfs/dbraw/zinc/46/94/05/397469405.db2.gz GGMNNTFOXJHUAF-UHFFFAOYSA-N -1 0 315.380 0.463 10 0 DCAERM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@@H](C)NC(C)=O ZINC000262346423 286055453 /nfs/dbraw/zinc/05/54/53/286055453.db2.gz AOORPTGHTVTRPH-WDEREUQCSA-N -1 0 302.371 0.487 10 0 DCAERM CCO[C@@H]1C[C@@H](NC(=O)N(C)CCC(=O)[O-])[C@@]12CCCO2 ZINC000263261897 286257466 /nfs/dbraw/zinc/25/74/66/286257466.db2.gz QMAQVOCXLDISJZ-GYSYKLTISA-N -1 0 300.355 0.829 10 0 DCAERM CCO[C@@H]1C[C@H](NC(=O)N(C)CCC(=O)[O-])[C@]12CCCO2 ZINC000263261899 286346358 /nfs/dbraw/zinc/34/63/58/286346358.db2.gz QMAQVOCXLDISJZ-MISXGVKJSA-N -1 0 300.355 0.829 10 0 DCAERM CC(C)C[C@H](CNC(=O)NCCN1CCOCC1)C(=O)[O-] ZINC000094704952 158122939 /nfs/dbraw/zinc/12/29/39/158122939.db2.gz XNQDMSGDTQHYSQ-GFCCVEGCSA-N -1 0 301.387 0.365 10 0 DCAERM CCc1oc(C(=O)NCC(=O)NCC(F)(F)F)cc1C(=O)[O-] ZINC000261599075 158721585 /nfs/dbraw/zinc/72/15/85/158721585.db2.gz AQXRBEXUOGCSJM-UHFFFAOYSA-N -1 0 322.239 0.949 10 0 DCAERM C[C@H](NC(=O)CCNC(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000262408476 158810573 /nfs/dbraw/zinc/81/05/73/158810573.db2.gz BWPHDKBGQTTZHA-NSHDSACASA-N -1 0 307.350 0.807 10 0 DCAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)CNC(=O)CCC(C)C)C1 ZINC000263181781 158861404 /nfs/dbraw/zinc/86/14/04/158861404.db2.gz WZQYXEVJXQDAQX-RYUDHWBXSA-N -1 0 314.382 0.629 10 0 DCAERM O=C1CC[C@H]([N-]S(=O)(=O)CC(F)(F)F)[C@@H](C2CC2)N1 ZINC000408017447 160012537 /nfs/dbraw/zinc/01/25/37/160012537.db2.gz RZFRSELMPAEUKD-IONNQARKSA-N -1 0 300.302 0.525 10 0 DCAERM CCn1cc(S(=O)(=O)N[C@H]2CCN(C(C)=O)C2)nc1C ZINC000408063623 160026291 /nfs/dbraw/zinc/02/62/91/160026291.db2.gz RMEUQPOKWUUUHE-NSHDSACASA-N -1 0 300.384 0.111 10 0 DCAERM CC(C)(CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C(F)(F)F ZINC000408328440 160086256 /nfs/dbraw/zinc/08/62/56/160086256.db2.gz GIENRYRUSWKQCV-SSDOTTSWSA-N -1 0 307.272 0.728 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)sc2nccn12 ZINC000408397927 160100362 /nfs/dbraw/zinc/10/03/62/160100362.db2.gz ZVMADRYXJIYNSP-MRVPVSSYSA-N -1 0 315.376 0.553 10 0 DCAERM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000408476075 160116037 /nfs/dbraw/zinc/11/60/37/160116037.db2.gz JJVURHQWRRDOJB-AWEZNQCLSA-N -1 0 310.375 0.716 10 0 DCAERM CO[C@]1(C(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)CCOC1 ZINC000408492270 160118978 /nfs/dbraw/zinc/11/89/78/160118978.db2.gz JODBZLJAEHMFND-CXHDDBMJSA-N -1 0 317.407 0.817 10 0 DCAERM CC[C@@H](CNS(=O)(=O)c1c(C)nn(C)c1C)CC(=O)[O-] ZINC000147354642 287030181 /nfs/dbraw/zinc/03/01/81/287030181.db2.gz VVAAQFDHKCUBDQ-SNVBAGLBSA-N -1 0 303.384 0.816 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000401516283 287231831 /nfs/dbraw/zinc/23/18/31/287231831.db2.gz LGASBLDWMDDPBV-VIFPVBQESA-N -1 0 309.384 0.748 10 0 DCAERM O=C(CNC(=O)c1ccc(F)cc1F)NC1(c2nnn[n-]2)CC1 ZINC000357078834 416032136 /nfs/dbraw/zinc/03/21/36/416032136.db2.gz YKLWVRACGXEUCN-UHFFFAOYSA-N -1 0 322.275 0.013 10 0 DCAERM COCCOc1cc(C(=O)NC2(c3nnn[n-]3)CC2)ccn1 ZINC000357096180 416033927 /nfs/dbraw/zinc/03/39/27/416033927.db2.gz MUZXDPFUSHQUGD-UHFFFAOYSA-N -1 0 304.310 0.039 10 0 DCAERM CCOc1c(F)cccc1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000176272479 416124512 /nfs/dbraw/zinc/12/45/12/416124512.db2.gz OKAWRIVREQROGA-UHFFFAOYSA-N -1 0 308.313 0.998 10 0 DCAERM NS(=O)(=O)c1ccc(N2CC(C(=O)[O-])C2)cc1C(F)(F)F ZINC000263541296 416338112 /nfs/dbraw/zinc/33/81/12/416338112.db2.gz CXTLZVQSYIAJFH-UHFFFAOYSA-N -1 0 324.280 0.874 10 0 DCAERM CN(C)c1ncccc1O[C@@H]1CCN(C(=O)CCC(=O)[O-])C1 ZINC000263435681 416338198 /nfs/dbraw/zinc/33/81/98/416338198.db2.gz OLVGIEHEHPVWQF-LLVKDONJSA-N -1 0 307.350 0.992 10 0 DCAERM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)C2)c1C ZINC000195285107 416326010 /nfs/dbraw/zinc/32/60/10/416326010.db2.gz KLEHIXQCOYACEU-GFCCVEGCSA-N -1 0 324.402 0.861 10 0 DCAERM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](CO)C1CC1 ZINC000359825410 416360867 /nfs/dbraw/zinc/36/08/67/416360867.db2.gz WIAWVNUFRZKYMV-NSHDSACASA-N -1 0 312.391 0.806 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000368535665 416667336 /nfs/dbraw/zinc/66/73/36/416667336.db2.gz YWMXMPRDUDOSKW-SCZZXKLOSA-N -1 0 320.754 0.598 10 0 DCAERM COC[C@H](C)n1ccc(=NC(=O)N=c2ncn(C(C)(C)C)[n-]2)[nH]1 ZINC000525843220 417155677 /nfs/dbraw/zinc/15/56/77/417155677.db2.gz MSRQDPRXBQZSLW-JTQLQIEISA-N -1 0 321.385 0.925 10 0 DCAERM C/C=C\C[C@@H](NS(=O)(=O)C1(COC)CC1)C(=O)OCC ZINC000451395758 417340927 /nfs/dbraw/zinc/34/09/27/417340927.db2.gz XBCPLUJHUMQQAA-VLWUPBBWSA-N -1 0 305.396 0.983 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000570770711 417388548 /nfs/dbraw/zinc/38/85/48/417388548.db2.gz URPJAYWLPOQFRI-JTQLQIEISA-N -1 0 312.333 0.358 10 0 DCAERM CO[C@@H]1CN(S(=O)(=O)N2CCCCC2)[C@](C)(C(=O)[O-])C1 ZINC000629308453 417776288 /nfs/dbraw/zinc/77/62/88/417776288.db2.gz JFZQXZYALZXTOS-JQWIXIFHSA-N -1 0 306.384 0.281 10 0 DCAERM CC(C)N(CCC(=O)[O-])C(=O)CCn1nc2ccccn2c1=O ZINC000236732603 261155421 /nfs/dbraw/zinc/15/54/21/261155421.db2.gz UFFWGYBCCUCEFK-UHFFFAOYSA-N -1 0 320.349 0.598 10 0 DCAERM CCO[C@H]1C[C@]([N-]S(=O)(=O)C2COC2)(C(=O)OC)C1(C)C ZINC000494410725 272221407 /nfs/dbraw/zinc/22/14/07/272221407.db2.gz LIROMMPANHAJCI-GWCFXTLKSA-N -1 0 321.395 0.051 10 0 DCAERM CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2cccnc2)[C@@H]1N ZINC000090624537 277206378 /nfs/dbraw/zinc/20/63/78/277206378.db2.gz SHWYQKSSZUTCAC-WOPDTQHZSA-N -1 0 307.350 0.766 10 0 DCAERM CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262400498 278024298 /nfs/dbraw/zinc/02/42/98/278024298.db2.gz YNEGREPAKTXFBK-BBBLOLIVSA-N -1 0 322.283 0.719 10 0 DCAERM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262160149 278367868 /nfs/dbraw/zinc/36/78/68/278367868.db2.gz PSXPEEOWBZXUKA-UTLUCORTSA-N -1 0 314.407 0.913 10 0 DCAERM CCC(=O)N1CSC[C@H]1C(=O)N(CC(=O)[O-])CC(C)C ZINC000262367951 281936620 /nfs/dbraw/zinc/93/66/20/281936620.db2.gz FPERFJUSOUZXNF-JTQLQIEISA-N -1 0 302.396 0.867 10 0 DCAERM CO[C@@H](CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)C(=O)[O-] ZINC000262848191 293528863 /nfs/dbraw/zinc/52/88/63/293528863.db2.gz FQVOENFPMPPKKO-YPMHNXCESA-N -1 0 320.345 0.793 10 0 DCAERM C[C@H](C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])S(C)(=O)=O ZINC000262086724 298183643 /nfs/dbraw/zinc/18/36/43/298183643.db2.gz FWHLKPNUIUNNLF-RKDXNWHRSA-N -1 0 309.384 0.194 10 0 DCAERM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000408478076 303253478 /nfs/dbraw/zinc/25/34/78/303253478.db2.gz PQUWHOFWTNASNE-RQJHMYQMSA-N -1 0 316.301 0.286 10 0 DCAERM NC(=O)C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)C1CCOCC1 ZINC000262400826 303256606 /nfs/dbraw/zinc/25/66/06/303256606.db2.gz UTXGWEAHVHTCER-SNVBAGLBSA-N -1 0 310.306 0.378 10 0 DCAERM Cc1nc(CN(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)no1 ZINC000582731340 337126684 /nfs/dbraw/zinc/12/66/84/337126684.db2.gz BNJOSXYJLDVITJ-UHFFFAOYSA-N -1 0 321.362 0.832 10 0 DCAERM C[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)S(N)(=O)=O ZINC000398453377 337311387 /nfs/dbraw/zinc/31/13/87/337311387.db2.gz GBVAZMRMLPOXMR-BYPYZUCNSA-N -1 0 312.269 0.216 10 0 DCAERM CC(C)CC(=O)N[C@H](C(=O)N(C)C[C@H](C)c1nnn[n-]1)C(C)C ZINC000156545990 519599708 /nfs/dbraw/zinc/59/97/08/519599708.db2.gz ONTHTEZMAYPEBC-AAEUAGOBSA-N -1 0 324.429 0.949 10 0 DCAERM C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCCO1 ZINC000166154173 545878422 /nfs/dbraw/zinc/87/84/22/545878422.db2.gz APMMDAKXBMCTQR-LLVKDONJSA-N -1 0 300.355 0.688 10 0 DCAERM C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@H](C(=O)[O-])O1 ZINC000262199511 545979954 /nfs/dbraw/zinc/97/99/54/545979954.db2.gz USBTWVKNJWMZQO-ZWNOBZJWSA-N -1 0 316.317 0.581 10 0 DCAERM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC2(C1)CCCOC2 ZINC000329429838 546048681 /nfs/dbraw/zinc/04/86/81/546048681.db2.gz HBXXSCCMCYNPLU-UHFFFAOYSA-N -1 0 316.317 0.689 10 0 DCAERM C[C@H](CNC(=O)NCc1nn(C)cc1Br)C(=O)[O-] ZINC000393426631 546220986 /nfs/dbraw/zinc/22/09/86/546220986.db2.gz NURXXHGYYIVKBO-ZCFIWIBFSA-N -1 0 319.159 0.703 10 0 DCAERM O=C([O-])CCCS(=O)(=O)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723742249 657490236 /nfs/dbraw/zinc/49/02/36/657490236.db2.gz YHDVTULYRMUBRL-AAEUAGOBSA-N -1 0 305.396 0.976 10 0 DCAERM Cc1csc(C)c1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000725091222 658134235 /nfs/dbraw/zinc/13/42/35/658134235.db2.gz HYRWLAVHXHPKSP-VIFPVBQESA-N -1 0 305.377 0.839 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccnn2C)C1 ZINC000124136780 659652240 /nfs/dbraw/zinc/65/22/40/659652240.db2.gz KILQAFHQOKTCTA-GFCCVEGCSA-N -1 0 301.368 0.686 10 0 DCAERM Cn1nc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])ccc1=O ZINC000262112205 662077927 /nfs/dbraw/zinc/07/79/27/662077927.db2.gz FMCHBMGUACJYKL-SNVBAGLBSA-N -1 0 311.338 0.169 10 0 DCAERM CCC[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-] ZINC000262292117 662310275 /nfs/dbraw/zinc/31/02/75/662310275.db2.gz NUIWEMRTHRWTTM-QMMMGPOBSA-N -1 0 306.326 0.159 10 0 DCAERM Cc1nc([C@@H](C)NC(=O)[C@@H]2COCCO2)sc1C(=O)[O-] ZINC000262507578 662429908 /nfs/dbraw/zinc/42/99/08/662429908.db2.gz AIUZTTRFUCVQMG-SFYZADRCSA-N -1 0 300.336 0.742 10 0 DCAERM COC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262957975 662605899 /nfs/dbraw/zinc/60/58/99/662605899.db2.gz LTVWRUKSUJMMRD-UTUOFQBUSA-N -1 0 321.329 0.777 10 0 DCAERM CC(C)C[C@@H](CNC(=O)N1CC[C@@H](NC(N)=O)C1)C(=O)[O-] ZINC000263016233 662616020 /nfs/dbraw/zinc/61/60/20/662616020.db2.gz DDUDIECSFCMWSR-VHSXEESVSA-N -1 0 300.359 0.186 10 0 DCAERM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)Cn1cnnn1 ZINC000263443355 662688990 /nfs/dbraw/zinc/68/89/90/662688990.db2.gz XVMDQAYIPPOOKI-LBPRGKRZSA-N -1 0 309.370 0.993 10 0 DCAERM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCOC[C@@H]1CO ZINC000912414984 664168919 /nfs/dbraw/zinc/16/89/19/664168919.db2.gz ALGIXXFFOZLPAY-LBPRGKRZSA-N -1 0 303.318 0.411 10 0 DCAERM Cn1cc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])nn1 ZINC000226853922 664522352 /nfs/dbraw/zinc/52/23/52/664522352.db2.gz VFSHKIBEVMTFSA-GFCCVEGCSA-N -1 0 304.306 0.737 10 0 DCAERM Cn1cc(S(=O)(=O)[N-]C(=O)Cn2ncc3ccccc32)cn1 ZINC000730685221 664800204 /nfs/dbraw/zinc/80/02/04/664800204.db2.gz CZMRKHAVRGQTDM-UHFFFAOYSA-N -1 0 319.346 0.275 10 0 DCAERM CO[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000700372340 666715640 /nfs/dbraw/zinc/71/56/40/666715640.db2.gz CDBXOYOAHKHRRB-GFCCVEGCSA-N -1 0 300.336 0.336 10 0 DCAERM CCOC(=O)C(C)(C)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000118328916 666942332 /nfs/dbraw/zinc/94/23/32/666942332.db2.gz GPWCKGJUUNAWKZ-UHFFFAOYSA-N -1 0 303.318 0.995 10 0 DCAERM C[C@]1(C(=O)[O-])CN(c2ncccc2S(C)(=O)=O)CCO1 ZINC000711516207 667484073 /nfs/dbraw/zinc/48/40/73/667484073.db2.gz AOLNXDLEONMYNW-GFCCVEGCSA-N -1 0 300.336 0.165 10 0 DCAERM O=C([O-])[C@]1(N2CCN(Cc3ncc(C4CC4)o3)CC2)CCOC1 ZINC000886071987 667728469 /nfs/dbraw/zinc/72/84/69/667728469.db2.gz UMKBIOPAWBEISD-INIZCTEOSA-N -1 0 321.377 0.913 10 0 DCAERM COCCS(=O)(=O)[N-]C(=O)c1c[nH]nc1-c1ccsc1 ZINC000187418383 669303123 /nfs/dbraw/zinc/30/31/23/669303123.db2.gz JPSAQMLKPFYDGN-UHFFFAOYSA-N -1 0 315.376 0.844 10 0 DCAERM COc1cccc(C(=O)[N-]S(=O)(=O)N2CCCC2)c1F ZINC000156211747 669839358 /nfs/dbraw/zinc/83/93/58/669839358.db2.gz PZOSGWOFPOGZTQ-UHFFFAOYSA-N -1 0 302.327 0.905 10 0 DCAERM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)C2)c(F)c1 ZINC000190871512 669941630 /nfs/dbraw/zinc/94/16/30/669941630.db2.gz REUDGUYOHYYDOV-SNVBAGLBSA-N -1 0 314.338 0.216 10 0 DCAERM C[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000192219944 670139637 /nfs/dbraw/zinc/13/96/37/670139637.db2.gz DKXLZIAPFNCUKV-JGVFFNPUSA-N -1 0 321.786 0.694 10 0 DCAERM Cc1ccc(/C=C/CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000193011513 670221519 /nfs/dbraw/zinc/22/15/19/670221519.db2.gz SIXYPXLALJKHRT-ONEGZZNKSA-N -1 0 324.402 0.980 10 0 DCAERM Cn1nc(C(=O)[O-])cc1CNCC(=O)NCc1ccccc1 ZINC000757180039 670358429 /nfs/dbraw/zinc/35/84/29/670358429.db2.gz QZRVOSYRANMGQH-UHFFFAOYSA-N -1 0 302.334 0.524 10 0 DCAERM COC[C@H]1CCN(C(=O)N2CCC(OCC(=O)[O-])CC2)C1 ZINC000081106732 670412852 /nfs/dbraw/zinc/41/28/52/670412852.db2.gz NNXJNFDUBALIOO-NSHDSACASA-N -1 0 300.355 0.640 10 0 DCAERM O=C(CN=c1ccc(OC(F)F)n[n-]1)NCC(F)(F)F ZINC000393701870 685264285 /nfs/dbraw/zinc/26/42/85/685264285.db2.gz CMJLTDMKFBMNCJ-UHFFFAOYSA-N -1 0 300.187 0.590 10 0 DCAERM CC(C)(CCS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)C1CC1 ZINC000717982495 685303797 /nfs/dbraw/zinc/30/37/97/685303797.db2.gz JMFGZNPBAWAWEL-NSHDSACASA-N -1 0 305.396 0.928 10 0 DCAERM CC(C)N(C)S(=O)(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC000719068632 685308516 /nfs/dbraw/zinc/30/85/16/685308516.db2.gz IXIUXVLWVVZQGA-VIFPVBQESA-N -1 0 307.397 0.313 10 0 DCAERM O=C([O-])C1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C1 ZINC000720279372 685312489 /nfs/dbraw/zinc/31/24/89/685312489.db2.gz ZEQCKZHSAGZNSW-UHFFFAOYSA-N -1 0 306.187 0.884 10 0 DCAERM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@H]21 ZINC000721216193 685318512 /nfs/dbraw/zinc/31/85/12/685318512.db2.gz APKQOMPTSDFHJM-LMLFDSFASA-N -1 0 301.364 0.133 10 0 DCAERM COc1ccccc1OCC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000261673855 1184725146 /nfs/dbraw/zinc/72/51/46/1184725146.db2.gz LRSGNALAPCSPIK-MNOVXSKESA-N -1 0 309.318 0.775 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000261985986 1185161146 /nfs/dbraw/zinc/16/11/46/1185161146.db2.gz AYKAYEKVWOIJIQ-MWLCHTKSSA-N -1 0 320.301 0.332 10 0 DCAERM Cc1ccccc1CCC(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262121186 1185162800 /nfs/dbraw/zinc/16/28/00/1185162800.db2.gz KQOSWXCAPTZYIC-UHFFFAOYSA-N -1 0 302.334 0.920 10 0 DCAERM C[C@@](O)(CNC(=O)c1cccc(N2CCCNC2=O)c1)C(=O)[O-] ZINC000262528217 1185167980 /nfs/dbraw/zinc/16/79/80/1185167980.db2.gz PAKZQAADZANSAP-OAHLLOKOSA-N -1 0 321.333 0.172 10 0 DCAERM Cc1cc(N2CC[C@@H](Nc3cnc(C(=O)[O-])cn3)C2=O)n(C)n1 ZINC000263468752 1185177971 /nfs/dbraw/zinc/17/79/71/1185177971.db2.gz DDFLCYVAYSCPRL-SECBINFHSA-N -1 0 316.321 0.434 10 0 DCAERM CC1(C)CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCS1 ZINC000689224079 954647901 /nfs/dbraw/zinc/64/79/01/954647901.db2.gz ULBQSSWSALHCBJ-JTQLQIEISA-N -1 0 322.452 0.998 10 0 DCAERM C[C@@H](CN(C)C(=O)c1c(Br)cnn1C)C(=O)[O-] ZINC000693058510 954726947 /nfs/dbraw/zinc/72/69/47/954726947.db2.gz CRIBUAPRHQYBCH-LURJTMIESA-N -1 0 304.144 0.975 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000688460665 976180871 /nfs/dbraw/zinc/18/08/71/976180871.db2.gz YQKPYQUAAMIDEW-SNVBAGLBSA-N -1 0 304.368 0.236 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)c1ccsc1CC(=O)[O-] ZINC000688526887 976183248 /nfs/dbraw/zinc/18/32/48/976183248.db2.gz JXBSDCATEVWJGC-UHFFFAOYSA-N -1 0 319.404 0.882 10 0 DCAERM CC(=O)N[C@@H](C[S@@](=O)Cc1sc(C)nc1C)C(=O)[O-] ZINC000691894485 976388134 /nfs/dbraw/zinc/38/81/34/976388134.db2.gz CXEPRWZDPFINCL-ZRNGKTOUSA-N -1 0 304.393 0.598 10 0 DCAERM CN1CCN(C(=O)C[N@H+](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000692444514 976481461 /nfs/dbraw/zinc/48/14/61/976481461.db2.gz DYVKNRVWUUPZLX-UHFFFAOYSA-N -1 0 319.405 0.737 10 0 DCAERM Cn1cc(Br)c(C(=O)NCCSCC(=O)[O-])n1 ZINC000693119749 976590870 /nfs/dbraw/zinc/59/08/70/976590870.db2.gz DZWMVUQFQCYPEC-UHFFFAOYSA-N -1 0 322.184 0.730 10 0 DCAERM O=C([O-])C1=CC[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000695017816 976767855 /nfs/dbraw/zinc/76/78/55/976767855.db2.gz DNSBTQCHGVQIKM-UWVGGRQHSA-N -1 0 319.404 0.196 10 0 DCAERM CNC(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cn1 ZINC000263129335 290625925 /nfs/dbraw/zinc/62/59/25/290625925.db2.gz XQYIZLNITKABCD-DMDPSCGWSA-N -1 0 317.345 0.767 10 0 DCAERM Cc1n[nH]cc1S(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000090941003 545716232 /nfs/dbraw/zinc/71/62/32/545716232.db2.gz FYQRLYZZBHRTEW-LURJTMIESA-N -1 0 316.364 0.912 10 0 DCAERM CN(C)S(=O)(=O)c1ccc2nc(NCC(=O)[O-])cnc2c1 ZINC000073737607 191349089 /nfs/dbraw/zinc/34/90/89/191349089.db2.gz IVJITOAJBWZNDX-UHFFFAOYSA-N -1 0 310.335 0.377 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000164873004 291248376 /nfs/dbraw/zinc/24/83/76/291248376.db2.gz OKFAYOFACOEYBZ-CABZTGNLSA-N -1 0 307.368 0.502 10 0 DCAERM C[C@@H](NC(N)=O)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263207808 296112037 /nfs/dbraw/zinc/11/20/37/296112037.db2.gz WCJGLIWVNZSFPF-PWSUYJOCSA-N -1 0 307.350 0.636 10 0 DCAERM CS(=O)(=O)CC[C@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000019803780 182151466 /nfs/dbraw/zinc/15/14/66/182151466.db2.gz SRZSPMKMFHCQPX-JTQLQIEISA-N -1 0 300.336 0.696 10 0 DCAERM COc1ccccc1NC(=O)CS(=O)(=O)[C@@H](C)C(=O)[O-] ZINC000019955396 182170176 /nfs/dbraw/zinc/17/01/76/182170176.db2.gz KWCFKTFHENIHDF-QMMMGPOBSA-N -1 0 301.320 0.522 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000020311273 182205935 /nfs/dbraw/zinc/20/59/35/182205935.db2.gz WMYUNHVEEFNNDA-WCQYABFASA-N -1 0 311.359 0.384 10 0 DCAERM C[C@@H](O)[C@@H](NC(=O)c1cc(Br)cn1C)C(=O)[O-] ZINC000020214046 182198221 /nfs/dbraw/zinc/19/82/21/182198221.db2.gz OAJJUZFGFWPZHS-SVGQVSJJSA-N -1 0 305.128 0.351 10 0 DCAERM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)CCS1(=O)=O ZINC000333593593 252740735 /nfs/dbraw/zinc/74/07/35/252740735.db2.gz PLEYGGDBQBSMIL-NEPJUHHUSA-N -1 0 309.343 0.037 10 0 DCAERM COC(=O)c1sccc1S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC000164921091 292043561 /nfs/dbraw/zinc/04/35/61/292043561.db2.gz CUYAAMJFVYXSBY-UHFFFAOYSA-N -1 0 319.360 0.820 10 0 DCAERM O=C([O-])[C@H](Cc1ccccc1)NC(=O)OCCN1CCOCC1 ZINC000034352258 395718086 /nfs/dbraw/zinc/71/80/86/395718086.db2.gz TUNFZKNDKIHAQW-AWEZNQCLSA-N -1 0 322.361 0.741 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000037462140 395727465 /nfs/dbraw/zinc/72/74/65/395727465.db2.gz KOSHUYJFAUUTLM-MLUIRONXSA-N -1 0 311.718 0.591 10 0 DCAERM Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000040396278 395733800 /nfs/dbraw/zinc/73/38/00/395733800.db2.gz DZTLRVXCFYOLGX-WPRPVWTQSA-N -1 0 319.766 0.857 10 0 DCAERM COCCN(CCOC)C(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC000111437755 395809124 /nfs/dbraw/zinc/80/91/24/395809124.db2.gz FMQITMZTBLDXKB-ZJUUUORDSA-N -1 0 306.384 0.549 10 0 DCAERM CNC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])CN1C(=O)C(F)(F)F ZINC000114334188 395833746 /nfs/dbraw/zinc/83/37/46/395833746.db2.gz QRNLRNZXTANTMM-SFYZADRCSA-N -1 0 310.272 0.767 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)c(F)c2)C1 ZINC000221745240 395851133 /nfs/dbraw/zinc/85/11/33/395851133.db2.gz FBVLKNBYQIUURH-CABZTGNLSA-N -1 0 317.338 0.997 10 0 DCAERM O=C([O-])[C@@H](NC(=O)NCCCn1ccnn1)c1cccs1 ZINC000127858436 395916522 /nfs/dbraw/zinc/91/65/22/395916522.db2.gz UTXMRIOIDMAMKN-JTQLQIEISA-N -1 0 309.351 0.855 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000227865846 395869875 /nfs/dbraw/zinc/86/98/75/395869875.db2.gz UMLDCPMPZFVVRV-GZMMTYOYSA-N -1 0 321.786 0.995 10 0 DCAERM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000136259122 395945263 /nfs/dbraw/zinc/94/52/63/395945263.db2.gz MKDGMXOICJNFLY-MXWKQRLJSA-N -1 0 308.400 0.429 10 0 DCAERM CCC[C@H](NC(=O)c1cnn2ccc(C)nc12)c1nnn[n-]1 ZINC000136718584 395948413 /nfs/dbraw/zinc/94/84/13/395948413.db2.gz VQRXIDJBDQKSKH-JTQLQIEISA-N -1 0 300.326 0.822 10 0 DCAERM CCCCN(C)S(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000252588280 396023233 /nfs/dbraw/zinc/02/32/33/396023233.db2.gz AWQYXJOWDYCZBE-NSHDSACASA-N -1 0 316.383 0.198 10 0 DCAERM O=C([O-])[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1c[nH]cn1 ZINC000070415415 396101092 /nfs/dbraw/zinc/10/10/92/396101092.db2.gz KQKTYQMUONVRJX-SNVBAGLBSA-N -1 0 311.319 0.090 10 0 DCAERM COCc1c(C(=O)[O-])nnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000070456712 396102326 /nfs/dbraw/zinc/10/23/26/396102326.db2.gz VQNLMYFYGNJELH-UHFFFAOYSA-N -1 0 311.319 0.515 10 0 DCAERM C[C@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)[O-] ZINC000071405157 396113880 /nfs/dbraw/zinc/11/38/80/396113880.db2.gz ZVKYCXIUVDEVMO-JTQLQIEISA-N -1 0 306.370 0.957 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000263188536 396205093 /nfs/dbraw/zinc/20/50/93/396205093.db2.gz KYSLUHVJUHJOEQ-HTQZYQBOSA-N -1 0 321.786 0.947 10 0 DCAERM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263170319 396204551 /nfs/dbraw/zinc/20/45/51/396204551.db2.gz FUJVBLJKSKGOOA-AGIUHOORSA-N -1 0 304.346 0.700 10 0 DCAERM O=C(c1cc(F)cc2n[nH]nc21)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000281930455 396249950 /nfs/dbraw/zinc/24/99/50/396249950.db2.gz BDGQWLNTWRXNEU-CQSZACIVSA-N -1 0 303.297 0.449 10 0 DCAERM COCCS(=O)(=O)[N-]c1c[nH]cc(Br)c1=O ZINC000183109237 396261434 /nfs/dbraw/zinc/26/14/34/396261434.db2.gz KEXFIQAQKDRAOK-UHFFFAOYSA-N -1 0 311.157 0.938 10 0 DCAERM O=C(NC[C@H](O)CN1CCOCC1)c1cc(F)c([O-])c(F)c1 ZINC000186582231 396353155 /nfs/dbraw/zinc/35/31/55/396353155.db2.gz AGEBQZHFPDWPLI-JTQLQIEISA-N -1 0 316.304 0.093 10 0 DCAERM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000192027291 396428791 /nfs/dbraw/zinc/42/87/91/396428791.db2.gz ZYPMJTJJLCOYTR-ZETCQYMHSA-N -1 0 313.305 0.349 10 0 DCAERM Cc1nn(CC(F)F)c(C)c1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000581106366 396526578 /nfs/dbraw/zinc/52/65/78/396526578.db2.gz NJISGMQFQVUGSD-UHFFFAOYSA-N -1 0 311.296 0.697 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N[C@@]23C[C@@H]2CCCC3)C1 ZINC000634654718 396893907 /nfs/dbraw/zinc/89/39/07/396893907.db2.gz RHBSTFYWIDFUKK-MDZLAQPJSA-N -1 0 302.396 0.950 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000384464647 397281367 /nfs/dbraw/zinc/28/13/67/397281367.db2.gz LJIRBXVUGSSMHS-ZJUUUORDSA-N -1 0 301.368 0.777 10 0 DCAERM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CC1CC(O)C1 ZINC000394326478 397308590 /nfs/dbraw/zinc/30/85/90/397308590.db2.gz KXSBUQWZYLTABX-UHFFFAOYSA-N -1 0 304.299 0.783 10 0 DCAERM COc1cc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)on1 ZINC000125012677 158249543 /nfs/dbraw/zinc/24/95/43/158249543.db2.gz ZZQMLYJZSHRLQA-UHFFFAOYSA-N -1 0 300.278 0.793 10 0 DCAERM Cc1cc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)on1 ZINC000262179303 158782379 /nfs/dbraw/zinc/78/23/79/158782379.db2.gz MEFWESPCTBPBJH-SNVBAGLBSA-N -1 0 309.322 0.378 10 0 DCAERM CCOCCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262181114 158782485 /nfs/dbraw/zinc/78/24/85/158782485.db2.gz MJEDVXBALJBZLJ-NSHDSACASA-N -1 0 300.355 0.195 10 0 DCAERM O=C([O-])[C@@H](NC(=O)c1ccc2nncn2c1)[C@H]1CCCOC1 ZINC000262763700 158839273 /nfs/dbraw/zinc/83/92/73/158839273.db2.gz KUOFQDJUYUCYOO-JQWIXIFHSA-N -1 0 304.306 0.339 10 0 DCAERM O=C([O-])[C@@H](CF)NC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000262989878 158851445 /nfs/dbraw/zinc/85/14/45/158851445.db2.gz QGAWJXCSPSLDIP-GHMZBOCLSA-N -1 0 312.272 0.718 10 0 DCAERM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263282883 158868617 /nfs/dbraw/zinc/86/86/17/158868617.db2.gz XPQGVHNETAZZOB-MWLCHTKSSA-N -1 0 308.334 0.574 10 0 DCAERM O=C(c1cc(F)cc2n[nH]nc21)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000328708290 159023279 /nfs/dbraw/zinc/02/32/79/159023279.db2.gz ZUMZVGUGJVNSIR-LBPRGKRZSA-N -1 0 318.308 0.917 10 0 DCAERM O=C(CSc1n[nH]c(=O)[n-]1)N1CCO[C@]2(CCCOC2)C1 ZINC000329198478 159072316 /nfs/dbraw/zinc/07/23/16/159072316.db2.gz WQQNXIQKURKLTE-GFCCVEGCSA-N -1 0 314.367 0.010 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)nc1C ZINC000330580240 159196677 /nfs/dbraw/zinc/19/66/77/159196677.db2.gz KLMITOUZYVJQGN-UHFFFAOYSA-N -1 0 310.383 0.868 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H](C)CC(=O)N2)cc1 ZINC000408126243 160042811 /nfs/dbraw/zinc/04/28/11/160042811.db2.gz LSXHTHLCRIKBPW-JQWIXIFHSA-N -1 0 310.375 0.715 10 0 DCAERM CO[C@@]1(C(=O)[N-]S(=O)(=O)c2cc(C)oc2C)CCOC1 ZINC000408476432 160116190 /nfs/dbraw/zinc/11/61/90/160116190.db2.gz ADQZMZLZTRRYHD-LBPRGKRZSA-N -1 0 303.336 0.507 10 0 DCAERM CC1(C)COc2ccc(C(=O)[N-]S(=O)(=O)C3COC3)cc21 ZINC000408474987 160116505 /nfs/dbraw/zinc/11/65/05/160116505.db2.gz AIGQNJYCDVJCBP-UHFFFAOYSA-N -1 0 311.359 0.815 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1noc2c1CCCCC2 ZINC000408475727 160116620 /nfs/dbraw/zinc/11/66/20/160116620.db2.gz GVTLHLUIALGQQJ-UHFFFAOYSA-N -1 0 300.336 0.402 10 0 DCAERM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408475208 160116651 /nfs/dbraw/zinc/11/66/51/160116651.db2.gz CIMLKJSRYWNQDJ-MRVPVSSYSA-N -1 0 315.395 0.060 10 0 DCAERM CC[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408477480 160117235 /nfs/dbraw/zinc/11/72/35/160117235.db2.gz ASBGXFXJGHQAFL-WOPDTQHZSA-N -1 0 305.396 0.817 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCO2)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408478272 160117242 /nfs/dbraw/zinc/11/72/42/160117242.db2.gz CEOXSSVOMLUOJH-MRVWCRGKSA-N -1 0 323.370 0.851 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCO[C@H]2C(C)C)cnn1C ZINC000408488903 160119167 /nfs/dbraw/zinc/11/91/67/160119167.db2.gz ZGDIOTDCLKTHPS-PWSUYJOCSA-N -1 0 315.395 0.595 10 0 DCAERM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)c2C1 ZINC000408497810 160119647 /nfs/dbraw/zinc/11/96/47/160119647.db2.gz JYCPWXUKWMFXQM-NXEZZACHSA-N -1 0 313.379 0.314 10 0 DCAERM CO[C@]1(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCOC1 ZINC000408500206 160119668 /nfs/dbraw/zinc/11/96/68/160119668.db2.gz PLKZSAAPHXEYLE-MPPDQPJWSA-N -1 0 303.380 0.427 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1sccc1Cl ZINC000408500163 160119755 /nfs/dbraw/zinc/11/97/55/160119755.db2.gz PKQDVCZKZGOOPP-MRVPVSSYSA-N -1 0 324.811 0.537 10 0 DCAERM CC(C)[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000087491927 286931261 /nfs/dbraw/zinc/93/12/61/286931261.db2.gz LHUMRUORVSFGPV-AXFHLTTASA-N -1 0 308.400 0.287 10 0 DCAERM C[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCS1(=O)=O ZINC000151600399 287034533 /nfs/dbraw/zinc/03/45/33/287034533.db2.gz FHQDXGBGNFZWMR-NSHDSACASA-N -1 0 322.390 0.592 10 0 DCAERM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000249909862 287118456 /nfs/dbraw/zinc/11/84/56/287118456.db2.gz IICNQUFSKAHQFA-VWYCJHECSA-N -1 0 308.400 0.526 10 0 DCAERM C[C@H](CCCC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251534261 287119534 /nfs/dbraw/zinc/11/95/34/287119534.db2.gz AZEWPUOHPZGWRI-GMTAPVOTSA-N -1 0 308.400 0.573 10 0 DCAERM CC[C@@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C[C@H]1N1CCOCC1 ZINC000263538434 287161138 /nfs/dbraw/zinc/16/11/38/287161138.db2.gz AYENAZHUDSQHEQ-YIYPIFLZSA-N -1 0 324.421 0.912 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000401516282 287231744 /nfs/dbraw/zinc/23/17/44/287231744.db2.gz LGASBLDWMDDPBV-SECBINFHSA-N -1 0 309.384 0.748 10 0 DCAERM CC(C)(C)OC(=O)NCCOCCNC(=O)CCC(=O)[O-] ZINC000145854565 415962140 /nfs/dbraw/zinc/96/21/40/415962140.db2.gz GCQWOEVBUAKLLK-UHFFFAOYSA-N -1 0 304.343 0.509 10 0 DCAERM COc1cccc2c1OCC(C(=O)NC1(c3nnn[n-]3)CC1)=C2 ZINC000357050176 416027729 /nfs/dbraw/zinc/02/77/29/416027729.db2.gz NWNHJWZQDQRMCU-UHFFFAOYSA-N -1 0 313.317 0.790 10 0 DCAERM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nncn3c2)c1 ZINC000181078408 416204918 /nfs/dbraw/zinc/20/49/18/416204918.db2.gz HJYLVMOLUQQHHX-UHFFFAOYSA-N -1 0 317.330 0.629 10 0 DCAERM CN(CC(=O)N1CCOCC1)C(=O)c1c([O-])cc(F)cc1F ZINC000195289898 416325788 /nfs/dbraw/zinc/32/57/88/416325788.db2.gz HLVXRDYHLSTPFB-UHFFFAOYSA-N -1 0 314.288 0.601 10 0 DCAERM CC[C@@](C)(CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000211664514 416326965 /nfs/dbraw/zinc/32/69/65/416326965.db2.gz HMEVIGNGPKZIBE-SKDRFNHKSA-N -1 0 306.384 0.316 10 0 DCAERM CC[C@](C)(CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000211664602 416327244 /nfs/dbraw/zinc/32/72/44/416327244.db2.gz HMEVIGNGPKZIBE-BXKDBHETSA-N -1 0 306.384 0.316 10 0 DCAERM O=C(Nc1nn[nH]n1)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000361188778 416424831 /nfs/dbraw/zinc/42/48/31/416424831.db2.gz FEZRTQRTIDISPL-NSHDSACASA-N -1 0 310.321 0.750 10 0 DCAERM CCc1ccc(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000439150375 416607819 /nfs/dbraw/zinc/60/78/19/416607819.db2.gz GTPNKIRWJMOCAA-UHFFFAOYSA-N -1 0 308.363 0.952 10 0 DCAERM C[C@@H]1CCC[C@H](OCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000522139938 417049319 /nfs/dbraw/zinc/04/93/19/417049319.db2.gz AVSQIWNZPGZZDT-BDAKNGLRSA-N -1 0 316.383 0.742 10 0 DCAERM NS(=O)(=O)N1CCOC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616593396 417085151 /nfs/dbraw/zinc/08/51/51/417085151.db2.gz JOUZUBMFHVEYLJ-SECBINFHSA-N -1 0 300.336 0.004 10 0 DCAERM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000450957472 417288460 /nfs/dbraw/zinc/28/84/60/417288460.db2.gz IVQCLZFKRSSQAW-JTQLQIEISA-N -1 0 322.413 0.882 10 0 DCAERM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000530153269 417545462 /nfs/dbraw/zinc/54/54/62/417545462.db2.gz NLIBCMKMBBFEMM-UVMAFCGOSA-N -1 0 302.352 0.803 10 0 DCAERM CCOCCN(CC)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166158493 545877842 /nfs/dbraw/zinc/87/78/42/545877842.db2.gz SXUGHXPOAQCOSB-UHFFFAOYSA-N -1 0 302.371 0.936 10 0 DCAERM CO[C@H]1CN(S(=O)(=O)N2CCCCC2)[C@](C)(C(=O)[O-])C1 ZINC000629308454 417776480 /nfs/dbraw/zinc/77/64/80/417776480.db2.gz JFZQXZYALZXTOS-PWSUYJOCSA-N -1 0 306.384 0.281 10 0 DCAERM C[C@H](CC(=O)NC1(c2nnn[n-]2)CC1)NC(=O)C1CCCCC1 ZINC000357077469 261504042 /nfs/dbraw/zinc/50/40/42/261504042.db2.gz WNLBYIQFRLFZJC-SNVBAGLBSA-N -1 0 320.397 0.780 10 0 DCAERM CCC(=O)N[C@H]1CCCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC000362488769 262040551 /nfs/dbraw/zinc/04/05/51/262040551.db2.gz MLHBQCASMQQPKL-NSHDSACASA-N -1 0 305.334 0.911 10 0 DCAERM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)C2COC2)(C(=O)OC)C1(C)C ZINC000494410728 272221312 /nfs/dbraw/zinc/22/13/12/272221312.db2.gz LIROMMPANHAJCI-ZWNOBZJWSA-N -1 0 321.395 0.051 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC1(C(=O)[O-])CC1 ZINC000368314210 277998332 /nfs/dbraw/zinc/99/83/32/277998332.db2.gz YXPRBKXYIQJGQX-NSHDSACASA-N -1 0 318.395 0.314 10 0 DCAERM CCc1nc(CNS(=O)(=O)CCCOC)ccc1C(=O)[O-] ZINC000547566423 288058883 /nfs/dbraw/zinc/05/88/83/288058883.db2.gz VUNYQPIVKFLSGU-UHFFFAOYSA-N -1 0 316.379 0.798 10 0 DCAERM CC(C)[C@H]1CCO[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408446025 280399236 /nfs/dbraw/zinc/39/92/36/280399236.db2.gz FWEMSIZLYZMNKT-QJPTWQEYSA-N -1 0 305.396 0.673 10 0 DCAERM CO[C@@H](CNC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)[O-] ZINC000263058297 293529383 /nfs/dbraw/zinc/52/93/83/293529383.db2.gz GYLXRIFDDPPYJD-NSHDSACASA-N -1 0 319.317 0.885 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000262413700 293862235 /nfs/dbraw/zinc/86/22/35/293862235.db2.gz DIGHPBTYUGVANX-RTXFEEFZSA-N -1 0 324.377 0.478 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000262973259 293923956 /nfs/dbraw/zinc/92/39/56/293923956.db2.gz QBSXOYKQNUDDQN-CHWSQXEVSA-N -1 0 320.345 0.703 10 0 DCAERM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cn1 ZINC000263210978 295190511 /nfs/dbraw/zinc/19/05/11/295190511.db2.gz NMLWAPFHWSHLNV-ONGXEEELSA-N -1 0 314.363 0.964 10 0 DCAERM CSCCC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262195175 295589169 /nfs/dbraw/zinc/58/91/69/295589169.db2.gz NWCNSCNZOUYZPE-SNVBAGLBSA-N -1 0 302.396 0.521 10 0 DCAERM Cn1c2ccc(C(=O)[O-])cc2nc1N1CC[NH2+][C@H](C(=O)[O-])C1 ZINC000071751998 302900993 /nfs/dbraw/zinc/90/09/93/302900993.db2.gz CYBSNTKWABIWPU-JTQLQIEISA-N -1 0 304.306 0.134 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000214374254 331661933 /nfs/dbraw/zinc/66/19/33/331661933.db2.gz YMXLYAGCSXGAKN-GXFFZTMASA-N -1 0 318.395 0.555 10 0 DCAERM C/C=C/C[C@H](NC(=O)NCCCO[C@H]1CCOC1)C(=O)[O-] ZINC000582464560 337093088 /nfs/dbraw/zinc/09/30/88/337093088.db2.gz XWXNKQPZDDGXSW-QVWGBTSJSA-N -1 0 300.355 0.901 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000263150915 1185177253 /nfs/dbraw/zinc/17/72/53/1185177253.db2.gz NPZWXRMCWRAAHJ-SNVBAGLBSA-N -1 0 322.427 0.664 10 0 DCAERM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](CF)C(=O)[O-] ZINC000263008065 519818836 /nfs/dbraw/zinc/81/88/36/519818836.db2.gz RVOYKSWFPYVXHA-OCCSQVGLSA-N -1 0 324.352 0.909 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c[nH]1 ZINC000085975913 545707036 /nfs/dbraw/zinc/70/70/36/545707036.db2.gz FCYMIAOIOUSHNO-KWQFWETISA-N -1 0 302.352 0.542 10 0 DCAERM C[C@@H]1OCC[C@@H]1Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000149927178 545811138 /nfs/dbraw/zinc/81/11/38/545811138.db2.gz PIQXUWSXAQYWGL-XVKPBYJWSA-N -1 0 300.336 0.622 10 0 DCAERM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCO[C@@H]1C ZINC000149357138 545811211 /nfs/dbraw/zinc/81/12/11/545811211.db2.gz MQNVHJJPDPNNLG-SCZZXKLOSA-N -1 0 315.347 0.849 10 0 DCAERM CCN(C(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCS(=O)(=O)C1 ZINC000262339394 657556854 /nfs/dbraw/zinc/55/68/54/657556854.db2.gz CDYFETOATICQHI-SECBINFHSA-N -1 0 301.320 0.627 10 0 DCAERM O=C([O-])[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C(F)(F)F ZINC000262342049 657573532 /nfs/dbraw/zinc/57/35/32/657573532.db2.gz TVGPLICJOROOTP-HTQZYQBOSA-N -1 0 306.244 0.390 10 0 DCAERM Cc1csc(C)c1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000725092800 658133933 /nfs/dbraw/zinc/13/39/33/658133933.db2.gz WXGMZUWNAOEZGP-BDAKNGLRSA-N -1 0 305.377 0.573 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cncc(F)c2)C1 ZINC000044260588 658369174 /nfs/dbraw/zinc/36/91/74/658369174.db2.gz BTACGIDNHNCMSL-WPRPVWTQSA-N -1 0 304.299 0.083 10 0 DCAERM O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccnc1F ZINC000724551386 658452855 /nfs/dbraw/zinc/45/28/55/658452855.db2.gz CIHILRFHZREURW-UTLUCORTSA-N -1 0 302.327 0.303 10 0 DCAERM CN1CCN(c2ncc(Br)c(C(=O)[O-])n2)CC1 ZINC000234331604 658873781 /nfs/dbraw/zinc/87/37/81/658873781.db2.gz YNCGDBYJNZBCKM-UHFFFAOYSA-N -1 0 301.144 0.689 10 0 DCAERM CC(C)(C)CC[C@@H](NC(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC000263050949 662623500 /nfs/dbraw/zinc/62/35/00/662623500.db2.gz FLCRBEDOFWXOIK-SNVBAGLBSA-N -1 0 320.411 0.418 10 0 DCAERM C[C@H](C(=O)[O-])C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000263565048 662718261 /nfs/dbraw/zinc/71/82/61/662718261.db2.gz VGXISRITHMUTAT-WDEREUQCSA-N -1 0 307.350 0.848 10 0 DCAERM COc1ccc(OC)c(S(=O)(=O)NC/C=C\C(=O)[O-])c1 ZINC000312966476 664735813 /nfs/dbraw/zinc/73/58/13/664735813.db2.gz OHRDRIXAEFUTJC-ARJAWSKDSA-N -1 0 301.320 0.623 10 0 DCAERM CC(=O)N1CCC(C(=O)[N-]S(=O)(=O)CC(C)(C)C)CC1 ZINC000733055080 665052054 /nfs/dbraw/zinc/05/20/54/665052054.db2.gz NYFWODJOSXGDEL-UHFFFAOYSA-N -1 0 304.412 0.737 10 0 DCAERM Cn1cc(S(=O)(=O)N2CC3(C2)CCCO3)cc1C(=O)[O-] ZINC000702869851 667005836 /nfs/dbraw/zinc/00/58/36/667005836.db2.gz XXWWLBRWUJJZGT-UHFFFAOYSA-N -1 0 300.336 0.277 10 0 DCAERM O=C([O-])C1(O)CN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000706457703 667413358 /nfs/dbraw/zinc/41/33/58/667413358.db2.gz CEFQPYXVLQEPRO-UHFFFAOYSA-N -1 0 309.702 0.299 10 0 DCAERM COC(=O)C[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000216272699 667600904 /nfs/dbraw/zinc/60/09/04/667600904.db2.gz CVIPHAAPHTXZMK-TVRMLOFPSA-N -1 0 313.331 0.593 10 0 DCAERM O=C([O-])[C@@]1(N2CCN(Cc3ncc(C4CC4)o3)CC2)CCOC1 ZINC000886071988 667728671 /nfs/dbraw/zinc/72/86/71/667728671.db2.gz UMKBIOPAWBEISD-MRXNPFEDSA-N -1 0 321.377 0.913 10 0 DCAERM COc1ccnc(N2C[C@H](C(=O)[O-])[C@@H](c3cnn(C)c3C)C2)n1 ZINC000886093747 667731629 /nfs/dbraw/zinc/73/16/29/667731629.db2.gz GEWONDAFDJKQOU-NEPJUHHUSA-N -1 0 317.349 0.832 10 0 DCAERM CCc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1C(=O)[O-] ZINC000122325415 668142356 /nfs/dbraw/zinc/14/23/56/668142356.db2.gz LBGQPCBMZOLWAN-VIFPVBQESA-N -1 0 301.364 0.949 10 0 DCAERM CN(C(=O)N(CCC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000040591469 669821332 /nfs/dbraw/zinc/82/13/32/669821332.db2.gz AXCLAXVZTNSXGI-SNVBAGLBSA-N -1 0 304.368 0.164 10 0 DCAERM CC1CCN(S(=O)(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1 ZINC000712940420 670150992 /nfs/dbraw/zinc/15/09/92/670150992.db2.gz CMUCVGWOYLBVCM-DMDPSCGWSA-N -1 0 302.396 0.806 10 0 DCAERM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000192436408 670165099 /nfs/dbraw/zinc/16/50/99/670165099.db2.gz VZEOUZUOIBPJSD-SSDOTTSWSA-N -1 0 304.328 0.669 10 0 DCAERM COCC1CC(NS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000713934657 670171624 /nfs/dbraw/zinc/17/16/24/670171624.db2.gz HJBVPARQHHXLPM-YVNMAJEFSA-N -1 0 306.384 0.042 10 0 DCAERM CC1CCN(S(=O)(=O)N[C@H]2C=CC[C@H](C(=O)[O-])C2)CC1 ZINC000714180536 670179910 /nfs/dbraw/zinc/17/99/10/670179910.db2.gz UPLNJSOFOSUHPE-RYUDHWBXSA-N -1 0 302.396 0.972 10 0 DCAERM C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000193029729 670223912 /nfs/dbraw/zinc/22/39/12/670223912.db2.gz LZCFMJCLPVJTEA-BDAKNGLRSA-N -1 0 302.327 0.698 10 0 DCAERM COCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000111993910 670532044 /nfs/dbraw/zinc/53/20/44/670532044.db2.gz HQVKUXYEFHDDRS-UHFFFAOYSA-N -1 0 323.374 0.887 10 0 DCAERM Cn1cc(S(=O)(=O)N[C@H]2CSC2(C)C)cc1C(=O)[O-] ZINC000393818451 685265416 /nfs/dbraw/zinc/26/54/16/685265416.db2.gz NGITUOJLXRBZJF-VIFPVBQESA-N -1 0 304.393 0.896 10 0 DCAERM COC1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000394488258 685266988 /nfs/dbraw/zinc/26/69/88/685266988.db2.gz ZLZPTWZLSQWDGS-JTQLQIEISA-N -1 0 307.368 0.061 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000083735571 685085543 /nfs/dbraw/zinc/08/55/43/685085543.db2.gz HDIRJBXKRBHCSH-BXKDBHETSA-N -1 0 321.420 0.372 10 0 DCAERM CC(C)(O)CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000381172765 1158371422 /nfs/dbraw/zinc/37/14/22/1158371422.db2.gz OMNNUFSSZGAGOY-UHFFFAOYSA-N -1 0 304.324 0.740 10 0 DCAERM COc1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)c(OC)c1 ZINC000261973733 1185160318 /nfs/dbraw/zinc/16/03/18/1185160318.db2.gz ZGTZYBVFDAITMC-UHFFFAOYSA-N -1 0 320.305 0.310 10 0 DCAERM COc1cccc(OCC(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000262126859 1185162623 /nfs/dbraw/zinc/16/26/23/1185162623.db2.gz JRKMZPOBXYRVQF-STQMWFEESA-N -1 0 309.318 0.775 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)CCC(C)C)C1 ZINC000262159831 1185163736 /nfs/dbraw/zinc/16/37/36/1185163736.db2.gz OYIIVSBYQCEHBA-MNOVXSKESA-N -1 0 300.355 0.239 10 0 DCAERM CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000262289667 1185165866 /nfs/dbraw/zinc/16/58/66/1185165866.db2.gz KXQONOGMEONVRE-QWRGUYRKSA-N -1 0 300.355 0.383 10 0 DCAERM CO[C@@H](CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000262906805 1185173817 /nfs/dbraw/zinc/17/38/17/1185173817.db2.gz RIJBRALVPFWQEF-NSHDSACASA-N -1 0 322.296 0.544 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCOC2CCOCC2)C1 ZINC000263003888 1185175475 /nfs/dbraw/zinc/17/54/75/1185175475.db2.gz VMOZBLIOCDNYQM-NWDGAFQWSA-N -1 0 301.339 0.273 10 0 DCAERM Nc1cc2c(cc1[N-]S(=O)(=O)c1cn[nH]c1)NC(=O)CO2 ZINC000037744408 805414438 /nfs/dbraw/zinc/41/44/38/805414438.db2.gz CZIMZTTXTJYHAC-UHFFFAOYSA-N -1 0 309.307 0.124 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000689183261 954640496 /nfs/dbraw/zinc/64/04/96/954640496.db2.gz FRGPIHMGFHCGLQ-KZVJFYERSA-N -1 0 310.322 0.414 10 0 DCAERM CC[C@H](C)[C@@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])OC ZINC000689222413 954647036 /nfs/dbraw/zinc/64/70/36/954647036.db2.gz IIJJFOAIIVOIAP-GARJFASQSA-N -1 0 308.400 0.431 10 0 DCAERM CC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])[C@@H](C)CO1 ZINC000689233450 954647706 /nfs/dbraw/zinc/64/77/06/954647706.db2.gz KODRDCQWMVHBRE-DCAQKATOSA-N -1 0 306.384 0.280 10 0 DCAERM O=C([O-])CN1CC[C@@H](S(=O)(=O)c2ccccc2Cl)C1=O ZINC000694898229 954799395 /nfs/dbraw/zinc/79/93/95/954799395.db2.gz JNZMZGCJPLAYTK-SNVBAGLBSA-N -1 0 317.750 0.799 10 0 DCAERM Cc1[nH]nc(S(=O)(=O)N2OC3CCC2CC3)c1C(=O)[O-] ZINC000687265037 976138129 /nfs/dbraw/zinc/13/81/29/976138129.db2.gz LLHFDXZJBSQHJE-UHFFFAOYSA-N -1 0 301.324 0.663 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N[C@H]2COC3(CCC3)C2)c[nH]1 ZINC000688298259 976174874 /nfs/dbraw/zinc/17/48/74/976174874.db2.gz FVMPYJWOLBJCCC-MRVPVSSYSA-N -1 0 300.336 0.703 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000688459814 976180702 /nfs/dbraw/zinc/18/07/02/976180702.db2.gz RIBAAJSYURVPGA-GHMZBOCLSA-N -1 0 305.396 0.771 10 0 DCAERM C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000689000983 976198383 /nfs/dbraw/zinc/19/83/83/976198383.db2.gz SDSOHBVKYMQPPY-HTQZYQBOSA-N -1 0 304.324 0.154 10 0 DCAERM CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000689231296 976244012 /nfs/dbraw/zinc/24/40/12/976244012.db2.gz MILBASDCZJEQAJ-BDAKNGLRSA-N -1 0 303.336 0.759 10 0 DCAERM CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000689231304 976244079 /nfs/dbraw/zinc/24/40/79/976244079.db2.gz MILBASDCZJEQAJ-RKDXNWHRSA-N -1 0 303.336 0.759 10 0 DCAERM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000694797365 976723958 /nfs/dbraw/zinc/72/39/58/976723958.db2.gz YMLZLPYGRRIZFJ-VHSXEESVSA-N -1 0 306.384 0.157 10 0 DCAERM O=C([O-])Cc1ccc(S(=O)(=O)NCC2CSC2)cc1 ZINC000697963371 976872751 /nfs/dbraw/zinc/87/27/51/976872751.db2.gz DOMHEUUKNLASRB-UHFFFAOYSA-N -1 0 301.389 0.955 10 0 DCAERM O=C([O-])[C@H]1COCCN1C(=O)c1ncsc1Br ZINC000698548520 976892139 /nfs/dbraw/zinc/89/21/39/976892139.db2.gz BEKTWFVMKLFFSS-RXMQYKEDSA-N -1 0 321.152 0.831 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Cn3ccnn3)C2)O1 ZINC000828537827 978985335 /nfs/dbraw/zinc/98/53/35/978985335.db2.gz JGEIJAAWBBGIKE-TUAOUCFPSA-N -1 0 308.338 0.149 10 0 DCAERM CO[C@@H](C)C(=O)N1CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000328625704 293399014 /nfs/dbraw/zinc/39/90/14/293399014.db2.gz DLCURJUYGWBRGN-CMPLNLGQSA-N -1 0 300.355 0.336 10 0 DCAERM C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000070311986 190880604 /nfs/dbraw/zinc/88/06/04/190880604.db2.gz KGTQSBDAKXVBOC-VIFPVBQESA-N -1 0 315.347 0.989 10 0 DCAERM Cc1csc([C@@H](NC(=O)CN2CC(=O)NC2=O)C2CC2)n1 ZINC000173986442 198277847 /nfs/dbraw/zinc/27/78/47/198277847.db2.gz XQUFQTPDZVCVOA-NSHDSACASA-N -1 0 308.363 0.571 10 0 DCAERM CCOC(=O)C(CCC(N)=O)(CCC(=O)[O-])C(=O)OCC ZINC000003666896 181044470 /nfs/dbraw/zinc/04/44/70/181044470.db2.gz SBETWMWZNKAZDA-UHFFFAOYSA-N -1 0 303.311 0.229 10 0 DCAERM [NH3+][C@@H](CCC(=O)OCSc1ncnc2[n-]cnc21)C(=O)[O-] ZINC000003822694 181046809 /nfs/dbraw/zinc/04/68/09/181046809.db2.gz OZOUJSWNOIDWAR-LURJTMIESA-N -1 0 311.323 0.138 10 0 DCAERM O=C([O-])Cn1c(=O)c2ccccc2nc1S[C@@H]1CCOC1=O ZINC000073661827 191338248 /nfs/dbraw/zinc/33/82/48/191338248.db2.gz ODVMYPHVLJMHIG-SNVBAGLBSA-N -1 0 320.326 0.889 10 0 DCAERM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)N1CCS(=O)(=O)CC1 ZINC000165396706 291248314 /nfs/dbraw/zinc/24/83/14/291248314.db2.gz SCMFOCHWYZPIPK-BXKDBHETSA-N -1 0 304.368 0.070 10 0 DCAERM Cc1c(C(=O)[O-])sc2ncnc(N3CCO[C@H](CO)C3)c12 ZINC000167207809 291248674 /nfs/dbraw/zinc/24/86/74/291248674.db2.gz GMMGWZCWSGXKLK-QMMMGPOBSA-N -1 0 309.347 0.895 10 0 DCAERM Cc1ncc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1C#N ZINC000313023249 291252458 /nfs/dbraw/zinc/25/24/58/291252458.db2.gz DEDUWBFETMHXCK-SNVBAGLBSA-N -1 0 313.360 0.410 10 0 DCAERM C[C@@H](NC(N)=O)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263207811 296112196 /nfs/dbraw/zinc/11/21/96/296112196.db2.gz WCJGLIWVNZSFPF-ZYHUDNBSSA-N -1 0 307.350 0.636 10 0 DCAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC000262282064 304167356 /nfs/dbraw/zinc/16/73/56/304167356.db2.gz VYKOAXGYNGFQBG-OUJBWJOFSA-N -1 0 301.364 0.134 10 0 DCAERM O=C([O-])Cc1ccc(NC(=O)CN2C(=O)CSC2=O)cc1 ZINC000016905326 182064369 /nfs/dbraw/zinc/06/43/69/182064369.db2.gz WWFVQCSUDBCEDH-UHFFFAOYSA-N -1 0 308.315 0.948 10 0 DCAERM COc1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])cc1 ZINC000020007133 182177255 /nfs/dbraw/zinc/17/72/55/182177255.db2.gz OFFKSXRYOLAESZ-NSHDSACASA-N -1 0 315.347 0.313 10 0 DCAERM CCN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])s2)CC1 ZINC000021788105 182289168 /nfs/dbraw/zinc/28/91/68/182289168.db2.gz FQXRYVWTHTTZPM-UHFFFAOYSA-N -1 0 318.420 0.701 10 0 DCAERM C[C@H](O)[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000022174029 182311897 /nfs/dbraw/zinc/31/18/97/182311897.db2.gz CESCQAYASBMOOL-CPCISQLKSA-N -1 0 316.151 0.942 10 0 DCAERM O=C([O-])[C@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@@H]1C1CC1 ZINC000262259056 304196729 /nfs/dbraw/zinc/19/67/29/304196729.db2.gz XLWXAHWWWVXAKQ-OLZOCXBDSA-N -1 0 308.378 0.862 10 0 DCAERM Cn1cc(CNS(=O)(=O)c2ccc(CC(=O)[O-])s2)cn1 ZINC000041159874 183179091 /nfs/dbraw/zinc/17/90/91/183179091.db2.gz YCXGTMSUWNZHFX-UHFFFAOYSA-N -1 0 315.376 0.587 10 0 DCAERM COc1ccc(C)cc1NC(=O)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000065433031 184344281 /nfs/dbraw/zinc/34/42/81/184344281.db2.gz QQAFGYNLMWLIMN-JTQLQIEISA-N -1 0 306.318 0.875 10 0 DCAERM CCC[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000087501111 395706338 /nfs/dbraw/zinc/70/63/38/395706338.db2.gz YVVXBIUTKHUMHF-AXFHLTTASA-N -1 0 308.400 0.431 10 0 DCAERM O=C(CC1(C(=O)[O-])CCCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000035126068 395718919 /nfs/dbraw/zinc/71/89/19/395718919.db2.gz YXKANSQJUBINIX-JTQLQIEISA-N -1 0 303.380 0.715 10 0 DCAERM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037838940 395729414 /nfs/dbraw/zinc/72/94/14/395729414.db2.gz JYBNHSCTAWRLJQ-MRVPVSSYSA-N -1 0 318.376 0.345 10 0 DCAERM Cc1ncc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC000230012492 395877410 /nfs/dbraw/zinc/87/74/10/395877410.db2.gz WVDUEJZQFDPQPE-MRVPVSSYSA-N -1 0 316.364 0.149 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)N1CCCSCC1 ZINC000134695346 395934286 /nfs/dbraw/zinc/93/42/86/395934286.db2.gz KHMBWAZCZVJYLU-UHFFFAOYSA-N -1 0 308.406 0.969 10 0 DCAERM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)[C@H](C)CO ZINC000151876040 395994913 /nfs/dbraw/zinc/99/49/13/395994913.db2.gz QIGCVCVOWKUWEC-RKDXNWHRSA-N -1 0 321.402 0.969 10 0 DCAERM C[C@@H](CO)[C@@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000151911548 395995821 /nfs/dbraw/zinc/99/58/21/395995821.db2.gz OMPTZJBCUNIBAU-VHSXEESVSA-N -1 0 300.380 0.805 10 0 DCAERM O=C([O-])[C@H]1CN(S(=O)(=O)c2c[nH]cn2)c2ccccc2O1 ZINC000070415446 396101213 /nfs/dbraw/zinc/10/12/13/396101213.db2.gz XSCRVJQCZNTRPT-SNVBAGLBSA-N -1 0 309.303 0.451 10 0 DCAERM COCc1cc(-n2ccc(C(=O)[O-])n2)nc(-c2cnccn2)n1 ZINC000070452635 396102011 /nfs/dbraw/zinc/10/20/11/396102011.db2.gz HQNHBNGPVLXEPP-UHFFFAOYSA-N -1 0 312.289 0.964 10 0 DCAERM COC(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070556199 396102766 /nfs/dbraw/zinc/10/27/66/396102766.db2.gz KJLWRZMPGQZKAQ-UWVGGRQHSA-N -1 0 307.368 0.502 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000070555998 396102923 /nfs/dbraw/zinc/10/29/23/396102923.db2.gz WTOVKWFXJXQBPF-WHOHXGKFSA-N -1 0 320.411 0.573 10 0 DCAERM O=C([O-])COCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160830570 396075528 /nfs/dbraw/zinc/07/55/28/396075528.db2.gz ORLDEKRRPVVENP-BXUZGUMPSA-N -1 0 300.355 0.424 10 0 DCAERM CNC(=O)C1(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000262483856 396145364 /nfs/dbraw/zinc/14/53/64/396145364.db2.gz DYTDLIYSELNIQQ-LBPRGKRZSA-N -1 0 304.346 0.572 10 0 DCAERM Cn1nc(CC(=O)NC2(C(=O)[O-])CC2)c2ccccc2c1=O ZINC000263114302 396202193 /nfs/dbraw/zinc/20/21/93/396202193.db2.gz BVZNSZATJABSKE-UHFFFAOYSA-N -1 0 301.302 0.209 10 0 DCAERM C[C@@](O)(CNS(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000263485193 396218412 /nfs/dbraw/zinc/21/84/12/396218412.db2.gz MIMRRBTWMDUKIU-SNVBAGLBSA-N -1 0 311.718 0.593 10 0 DCAERM O=C([O-])[C@H](NS(=O)(=O)c1cnc2n1CCC2)c1ccccc1 ZINC000263553107 396220730 /nfs/dbraw/zinc/22/07/30/396220730.db2.gz MIONVZRWNYCOSE-CYBMUJFWSA-N -1 0 321.358 0.934 10 0 DCAERM O=C(c1cccc(O)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000371778547 396476693 /nfs/dbraw/zinc/47/66/93/396476693.db2.gz RRWDMZKJGNXZAR-UHFFFAOYSA-N -1 0 320.389 0.692 10 0 DCAERM CCOC(=O)c1cnc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000561346813 396639902 /nfs/dbraw/zinc/63/99/02/396639902.db2.gz SRVGJEPFWIXHHF-VIFPVBQESA-N -1 0 318.337 0.861 10 0 DCAERM CCOCCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C ZINC000562395682 396661411 /nfs/dbraw/zinc/66/14/11/396661411.db2.gz FHCOAJBYHLEWAY-HZMBPMFUSA-N -1 0 302.371 0.981 10 0 DCAERM CCn1nc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)ccc1=O ZINC000630333599 396986232 /nfs/dbraw/zinc/98/62/32/396986232.db2.gz ZBKCUQAZWRQOPO-UHFFFAOYSA-N -1 0 305.290 0.793 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N1CC(C)(C)[C@@H]1C(=O)[O-] ZINC000630425351 397017259 /nfs/dbraw/zinc/01/72/59/397017259.db2.gz OECNVYZPGWDNFL-JTQLQIEISA-N -1 0 301.368 0.521 10 0 DCAERM O=C([O-])[C@@]1(CNS(=O)(=O)CCC2CCC2)CCCOC1 ZINC000630432070 397019595 /nfs/dbraw/zinc/01/95/95/397019595.db2.gz JGBSUDJQNFDWEQ-CYBMUJFWSA-N -1 0 305.396 0.977 10 0 DCAERM COc1cc(C(=O)NC2(c3nnn[n-]3)CC2)cc(OC)c1O ZINC000574217695 397247111 /nfs/dbraw/zinc/24/71/11/397247111.db2.gz DOBGEQQOSLHBOL-UHFFFAOYSA-N -1 0 305.294 0.342 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@H](C)O[C@H]1C ZINC000384944947 397282976 /nfs/dbraw/zinc/28/29/76/397282976.db2.gz QYDZNXXBJSKULX-BIIVOSGPSA-N -1 0 320.392 0.774 10 0 DCAERM C[S@](=O)C1(CNC(=O)NCC2(C(=O)[O-])CCC2)CCC1 ZINC000393754549 397307636 /nfs/dbraw/zinc/30/76/36/397307636.db2.gz FGKDJHHHPUPPKR-FQEVSTJZSA-N -1 0 302.396 0.842 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408132943 397347982 /nfs/dbraw/zinc/34/79/82/397347982.db2.gz MWEXWSBLACLAIH-GRYCIOLGSA-N -1 0 305.396 0.817 10 0 DCAERM CC(=O)N1CCCC[C@H]1C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000578870463 397495445 /nfs/dbraw/zinc/49/54/45/397495445.db2.gz AUSLLAHKOZUQBF-LBPRGKRZSA-N -1 0 321.381 0.617 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1CSC1 ZINC000603383617 397604499 /nfs/dbraw/zinc/60/44/99/397604499.db2.gz HCOMKZYVDHJMDJ-UHFFFAOYSA-N -1 0 308.406 0.571 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000036983516 157987759 /nfs/dbraw/zinc/98/77/59/157987759.db2.gz IUJUEWPJSDRRNL-VXGBXAGGSA-N -1 0 317.338 0.829 10 0 DCAERM C[C@@H]1CCC[C@](NS(=O)(=O)c2ccnn2C)(C(=O)[O-])C1 ZINC000124126625 158238817 /nfs/dbraw/zinc/23/88/17/158238817.db2.gz KQQDIBZMLFHOTM-BXKDBHETSA-N -1 0 301.368 0.732 10 0 DCAERM COc1n[nH]c(NC(=O)CNC(=O)c2ccc(F)c(F)c2)n1 ZINC000133099203 158316124 /nfs/dbraw/zinc/31/61/24/158316124.db2.gz HXFGTZRWHZNAJA-UHFFFAOYSA-N -1 0 311.248 0.460 10 0 DCAERM CCOCCS(=O)(=O)N1CCOc2c(C(=O)[O-])cccc21 ZINC000165648684 158364907 /nfs/dbraw/zinc/36/49/07/158364907.db2.gz KSFNTJVMRHUBSO-UHFFFAOYSA-N -1 0 315.347 0.950 10 0 DCAERM CC[C@@H](C)[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000261617295 158722835 /nfs/dbraw/zinc/72/28/35/158722835.db2.gz FYDQBBJYDBMMET-RNCFNFMXSA-N -1 0 308.334 0.780 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc3c2OCCO3)C1 ZINC000261709362 158731140 /nfs/dbraw/zinc/73/11/40/158731140.db2.gz OZESTKMFDRMAQQ-GXSJLCMTSA-N -1 0 307.302 0.772 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CN2CCCCCCC2=O)C1 ZINC000262098139 158773159 /nfs/dbraw/zinc/77/31/59/158773159.db2.gz DXOPGLIHPFDUMV-VXGBXAGGSA-N -1 0 312.366 0.480 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CN2CCCCCCC2=O)C1 ZINC000262098127 158773724 /nfs/dbraw/zinc/77/37/24/158773724.db2.gz DXOPGLIHPFDUMV-NEPJUHHUSA-N -1 0 312.366 0.480 10 0 DCAERM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(C(=O)Cc2ccon2)CC1 ZINC000262881534 158846097 /nfs/dbraw/zinc/84/60/97/158846097.db2.gz FOQNCTFWNJLSRP-CYBMUJFWSA-N -1 0 323.349 0.531 10 0 DCAERM CCc1nnc(CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[nH]1 ZINC000263351798 158874296 /nfs/dbraw/zinc/87/42/96/158874296.db2.gz HYNRHGXIYGKAHX-LKFCYVNXSA-N -1 0 307.354 0.763 10 0 DCAERM O=C([O-])[C@H](Cc1ccccc1)Nc1cncc(OCCO)n1 ZINC000263468748 158880007 /nfs/dbraw/zinc/88/00/07/158880007.db2.gz DDEJYGRWSUDVJJ-LBPRGKRZSA-N -1 0 303.318 0.956 10 0 DCAERM Cn1nc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)[n-]c1=O ZINC000329462281 159094549 /nfs/dbraw/zinc/09/45/49/159094549.db2.gz TXGHEVHFIZKAEL-HNNXBMFYSA-N -1 0 313.317 0.206 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408126338 160042956 /nfs/dbraw/zinc/04/29/56/160042956.db2.gz MYYOJPKIJWFKAF-WDEREUQCSA-N -1 0 301.368 0.430 10 0 DCAERM CC(C)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408156663 160049356 /nfs/dbraw/zinc/04/93/56/160049356.db2.gz AMHDEYYWXXLPTD-UWVGGRQHSA-N -1 0 313.379 0.763 10 0 DCAERM O=C([O-])C1CCN(C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000408371118 160094018 /nfs/dbraw/zinc/09/40/18/160094018.db2.gz VIVOCFHULLENLL-UHFFFAOYSA-N -1 0 304.302 0.954 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000408383415 160096598 /nfs/dbraw/zinc/09/65/98/160096598.db2.gz HJQOXAUMLUWNCW-ONGXEEELSA-N -1 0 324.358 0.347 10 0 DCAERM O=C([N-]S(=O)(=O)c1cncc(Cl)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408393315 160098988 /nfs/dbraw/zinc/09/89/88/160098988.db2.gz JXKJIGNPUVXSJM-AXFHLTTASA-N -1 0 316.766 0.965 10 0 DCAERM CCn1cc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)c(C(N)=O)n1 ZINC000408407162 160101997 /nfs/dbraw/zinc/10/19/97/160101997.db2.gz KFWIXKBMAINYNM-SECBINFHSA-N -1 0 315.399 0.391 10 0 DCAERM CC1(C)c2cc(C(=O)[N-]S(=O)(=O)C3COC3)ccc2NC1=O ZINC000408477160 160116985 /nfs/dbraw/zinc/11/69/85/160116985.db2.gz NMTOXJZYLIVEGR-UHFFFAOYSA-N -1 0 324.358 0.375 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cnn2c1CCC2 ZINC000408486264 160118273 /nfs/dbraw/zinc/11/82/73/160118273.db2.gz RXGKABFHJTVYNH-JTQLQIEISA-N -1 0 313.379 0.458 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2F)CCC(=O)NC1 ZINC000408483516 160118570 /nfs/dbraw/zinc/11/85/70/160118570.db2.gz XBQNUVRVSUZBJR-CYBMUJFWSA-N -1 0 314.338 0.547 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408483424 160118602 /nfs/dbraw/zinc/11/86/02/160118602.db2.gz WTIMQBZTOQZJLE-JTQLQIEISA-N -1 0 300.384 0.099 10 0 DCAERM Cn1nccc1CCC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408492967 160119718 /nfs/dbraw/zinc/11/97/18/160119718.db2.gz FORUHSCPUBDBKW-NTZNESFSSA-N -1 0 311.407 0.987 10 0 DCAERM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000408505465 160120437 /nfs/dbraw/zinc/12/04/37/160120437.db2.gz ZILUHSDADRRTIV-OSUNSFLBSA-N -1 0 314.407 0.536 10 0 DCAERM COCCN(CCOC)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263183322 292485657 /nfs/dbraw/zinc/48/56/57/292485657.db2.gz KLTWSSMQMCPEPR-VXGBXAGGSA-N -1 0 302.371 0.744 10 0 DCAERM CO[C@@H](CNS(=O)(=O)CCCC(F)(F)F)CC(=O)[O-] ZINC000232108039 287064426 /nfs/dbraw/zinc/06/44/26/287064426.db2.gz IPNPKWDJJFPQMG-SSDOTTSWSA-N -1 0 307.290 0.738 10 0 DCAERM CC(=O)N[C@H](CC(=O)NC1(c2nnn[n-]2)CC1)c1cccs1 ZINC000357080217 287203489 /nfs/dbraw/zinc/20/34/89/287203489.db2.gz TYTQWAIIXUTFNZ-SECBINFHSA-N -1 0 320.378 0.634 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC000037656668 415195416 /nfs/dbraw/zinc/19/54/16/415195416.db2.gz CVUDUSOJFMINIE-GARJFASQSA-N -1 0 306.384 0.185 10 0 DCAERM COCCN(CCOC)C(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070572375 415405558 /nfs/dbraw/zinc/40/55/58/415405558.db2.gz XWQBFNXHDNBLBJ-VXGBXAGGSA-N -1 0 302.371 0.934 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@H]2CC(=O)c3ccccc32)n[n-]1 ZINC000357007605 416019693 /nfs/dbraw/zinc/01/96/93/416019693.db2.gz XMVDIUBPZOMSOK-VIFPVBQESA-N -1 0 320.330 0.517 10 0 DCAERM COc1ccc(F)c(C(=O)NC2(c3nnn[n-]3)CC2)c1OC ZINC000357070297 416029736 /nfs/dbraw/zinc/02/97/36/416029736.db2.gz NWGOHBJAYLHRAD-UHFFFAOYSA-N -1 0 307.285 0.775 10 0 DCAERM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](C)[C@@H](C)C(=O)[O-])C2=O ZINC000263505051 416338236 /nfs/dbraw/zinc/33/82/36/416338236.db2.gz ZUZDOECASPHABQ-NXEZZACHSA-N -1 0 318.329 0.816 10 0 DCAERM Cc1nc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cn1C ZINC000583500238 416468448 /nfs/dbraw/zinc/46/84/48/416468448.db2.gz QVHXLHNNDALBTQ-SCZZXKLOSA-N -1 0 301.368 0.460 10 0 DCAERM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(N3CCC3=O)cc2)O1 ZINC000540616823 416592644 /nfs/dbraw/zinc/59/26/44/416592644.db2.gz NJSYEIGUELOGSS-VXGBXAGGSA-N -1 0 304.302 0.994 10 0 DCAERM CCCc1nc(=NC(=O)N2CCN(C(=O)C3CC3)CC2)s[n-]1 ZINC000559765157 416823912 /nfs/dbraw/zinc/82/39/12/416823912.db2.gz DKTQXJNHHDXFPQ-UHFFFAOYSA-N -1 0 323.422 0.999 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCCOC[C@H]1c1nnn[n-]1 ZINC000616598653 417083054 /nfs/dbraw/zinc/08/30/54/417083054.db2.gz OVGSSNMJZLUKTL-NSHDSACASA-N -1 0 309.351 0.352 10 0 DCAERM NS(=O)(=O)N1CCOC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616592483 417084988 /nfs/dbraw/zinc/08/49/88/417084988.db2.gz DWCPKXJYEMELPN-NSHDSACASA-N -1 0 300.336 0.004 10 0 DCAERM CCc1cccc(OCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000523789272 417094821 /nfs/dbraw/zinc/09/48/21/417094821.db2.gz ZQFCUVKQQAXXJR-UHFFFAOYSA-N -1 0 324.362 0.788 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NCC[C@@]2(O)CCOC2)cs1 ZINC000403102542 417115829 /nfs/dbraw/zinc/11/58/29/417115829.db2.gz DFNDPRFJGAQBJO-LLVKDONJSA-N -1 0 321.376 0.266 10 0 DCAERM CCN([C@@H]1CCCOC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000402801933 417116103 /nfs/dbraw/zinc/11/61/03/417116103.db2.gz PXFWGZQJHRBXBW-MRVPVSSYSA-N -1 0 303.340 0.298 10 0 DCAERM C[C@@H](OCCc1ccccc1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000450963571 417288654 /nfs/dbraw/zinc/28/86/54/417288654.db2.gz SCKKNKFGFHMQJL-LLVKDONJSA-N -1 0 301.350 0.953 10 0 DCAERM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000530153267 417545490 /nfs/dbraw/zinc/54/54/90/417545490.db2.gz NLIBCMKMBBFEMM-LITAXDCLSA-N -1 0 302.352 0.803 10 0 DCAERM Cc1nc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F)c[nH]1 ZINC000560417967 288501481 /nfs/dbraw/zinc/50/14/81/288501481.db2.gz KWGBRVXGECXKSU-ZCFIWIBFSA-N -1 0 315.273 0.650 10 0 DCAERM Cc1cn2cc(C(=O)NCCCc3n[nH]c(=O)[n-]3)sc2n1 ZINC000440266928 287396297 /nfs/dbraw/zinc/39/62/97/287396297.db2.gz KSAYKJCXXJFOEO-UHFFFAOYSA-N -1 0 306.351 0.891 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1 ZINC000629307065 417776947 /nfs/dbraw/zinc/77/69/47/417776947.db2.gz QEQXEAPCTJJXDR-DTWKUNHWSA-N -1 0 312.338 0.757 10 0 DCAERM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000227866600 545944538 /nfs/dbraw/zinc/94/45/38/545944538.db2.gz BKQTZEIZWJWJEK-SSDOTTSWSA-N -1 0 309.775 0.947 10 0 DCAERM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N=c1nc(C2CC2)[n-]s1 ZINC000362665709 262057997 /nfs/dbraw/zinc/05/79/97/262057997.db2.gz OYULBHYXMGRNLX-SFYZADRCSA-N -1 0 312.395 0.706 10 0 DCAERM CC[C@H](C)[C@@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236934684 287652949 /nfs/dbraw/zinc/65/29/49/287652949.db2.gz PLVWHWHCRZFIGH-GXFFZTMASA-N -1 0 320.349 0.502 10 0 DCAERM CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000548240964 288124422 /nfs/dbraw/zinc/12/44/22/288124422.db2.gz QKQYGSRLVDSQQT-UHFFFAOYSA-N -1 0 319.310 0.708 10 0 DCAERM CO[C@H](C)c1nc(=NC(=O)c2cn3cccnc3n2)s[n-]1 ZINC000555315919 288348908 /nfs/dbraw/zinc/34/89/08/288348908.db2.gz NGNJRGWIVBVWGX-SSDOTTSWSA-N -1 0 304.335 0.962 10 0 DCAERM COC[C@H](NC(=O)NCCCc1nnc2ccccn21)C(=O)[O-] ZINC000563850847 288708397 /nfs/dbraw/zinc/70/83/97/288708397.db2.gz GBBLPRSJLKGCNC-JTQLQIEISA-N -1 0 321.337 0.061 10 0 DCAERM CN1C[C@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1=O ZINC000237053140 290300208 /nfs/dbraw/zinc/30/02/08/290300208.db2.gz JHDHVSFLOCRJDN-CHWSQXEVSA-N -1 0 302.330 0.503 10 0 DCAERM CO[C@@H](CNC(=O)c1cnc([C@@H]2CCCO2)s1)C(=O)[O-] ZINC000263089141 293543984 /nfs/dbraw/zinc/54/39/84/293543984.db2.gz MNNSETLNOGAFFZ-YUMQZZPRSA-N -1 0 300.336 0.824 10 0 DCAERM CO[C@@H](CNC(=O)c1nnn(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC000263134651 293544823 /nfs/dbraw/zinc/54/48/23/293544823.db2.gz UEMANKUDAMLKQS-LBPRGKRZSA-N -1 0 318.333 0.714 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000262083590 293922868 /nfs/dbraw/zinc/92/28/68/293922868.db2.gz BKDLSJYYBMNSCR-SUZMYJTESA-N -1 0 318.329 0.813 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2CC(=O)[O-])C[C@H](C)O1 ZINC000038027031 297047424 /nfs/dbraw/zinc/04/74/24/297047424.db2.gz VSDOBAPDTLLQGV-GRYCIOLGSA-N -1 0 320.411 0.670 10 0 DCAERM CO[C@]1(C)C[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1(C)C ZINC000267656244 294857826 /nfs/dbraw/zinc/85/78/26/294857826.db2.gz XEXMUZZGOILRIZ-ZUZCIYMTSA-N -1 0 309.366 0.762 10 0 DCAERM C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000262459473 298111161 /nfs/dbraw/zinc/11/11/61/298111161.db2.gz VSLHSUHJGKLLME-RFGFWPKPSA-N -1 0 310.394 0.951 10 0 DCAERM C[C@H]1[C@@H](N(C)CS(=O)(=O)[O-])C(=O)N(c2ccccc2)N1C ZINC000021983528 300673262 /nfs/dbraw/zinc/67/32/62/300673262.db2.gz TVAQNNRGGZXZSK-CMPLNLGQSA-N -1 0 313.379 0.414 10 0 DCAERM NC(=O)[C@@H]1CC[C@H](C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])O1 ZINC000263475230 303304080 /nfs/dbraw/zinc/30/40/80/303304080.db2.gz ZABKQTZKDDBMML-KZZRWZIVSA-N -1 0 310.350 0.264 10 0 DCAERM C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000393582140 337093039 /nfs/dbraw/zinc/09/30/39/337093039.db2.gz KGECAAQBXRVLIN-SSDOTTSWSA-N -1 0 305.356 0.183 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)C[C@H](C)O1 ZINC000399194750 337314247 /nfs/dbraw/zinc/31/42/47/337314247.db2.gz IOKBMBWSWRIVMY-WCABBAIRSA-N -1 0 306.384 0.183 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCS1 ZINC000220925551 337362827 /nfs/dbraw/zinc/36/28/27/337362827.db2.gz JXIZOZGNFPIBSI-VHSXEESVSA-N -1 0 308.425 0.465 10 0 DCAERM CC(=O)NC1CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000191495603 519649507 /nfs/dbraw/zinc/64/95/07/519649507.db2.gz FDPRMPQYTLTSRG-UHFFFAOYSA-N -1 0 318.308 0.678 10 0 DCAERM CC[C@H](C)[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000236942664 521844098 /nfs/dbraw/zinc/84/40/98/521844098.db2.gz BJUAEEJOHVYXHG-IINYFYTJSA-N -1 0 317.349 0.820 10 0 DCAERM C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)[C@H](C)CO ZINC000151911640 525353396 /nfs/dbraw/zinc/35/33/96/525353396.db2.gz OMPTZJBCUNIBAU-NXEZZACHSA-N -1 0 300.380 0.805 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)CC1 ZINC000085976582 545705862 /nfs/dbraw/zinc/70/58/62/545705862.db2.gz TYFJZJPLJJIHTL-NEPJUHHUSA-N -1 0 320.411 0.169 10 0 DCAERM COCCN(CCOC)C(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000089434233 545713940 /nfs/dbraw/zinc/71/39/40/545713940.db2.gz NCWBZUPLIAOOKV-VXGBXAGGSA-N -1 0 302.371 0.792 10 0 DCAERM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCO[C@H]1C ZINC000149343068 545810971 /nfs/dbraw/zinc/81/09/71/545810971.db2.gz BIOIFSLXPXWGDN-WCBMZHEXSA-N -1 0 315.347 0.855 10 0 DCAERM Cc1c(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)ccn1C ZINC000195136476 545933017 /nfs/dbraw/zinc/93/30/17/545933017.db2.gz UPBLKUIHFMTXOA-UHFFFAOYSA-N -1 0 315.380 0.809 10 0 DCAERM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)[C@H](C)C(=O)[O-] ZINC000675077176 547659113 /nfs/dbraw/zinc/65/91/13/547659113.db2.gz ZOFVSYRDOIGMOV-PVJAMZLWSA-N -1 0 303.380 0.568 10 0 DCAERM CC(C)(C)OC(=O)NC1(c2noc(CCC(=O)[O-])n2)COC1 ZINC000757182404 658640463 /nfs/dbraw/zinc/64/04/63/658640463.db2.gz HPGGMXFPDUCNKP-UHFFFAOYSA-N -1 0 313.310 0.837 10 0 DCAERM O=C([O-])[C@@H]1CCCO[C@H]1c1cnn(CC(=O)NCC2CC2)c1 ZINC000888076567 658713438 /nfs/dbraw/zinc/71/34/38/658713438.db2.gz SPWGIAYOODFGCJ-OCCSQVGLSA-N -1 0 307.350 0.962 10 0 DCAERM CCCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000262095117 662057023 /nfs/dbraw/zinc/05/70/23/662057023.db2.gz LRZPNNVKPODAEH-HBNTYKKESA-N -1 0 303.380 0.523 10 0 DCAERM NC(=O)c1csc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n1 ZINC000263558727 662716192 /nfs/dbraw/zinc/71/61/92/662716192.db2.gz PWYQOSPPPVRKFU-RFZPGFLSSA-N -1 0 309.269 0.941 10 0 DCAERM CC1CCN(S(=O)(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])CC1 ZINC000721253660 662858203 /nfs/dbraw/zinc/85/82/03/662858203.db2.gz GSJJKUQMGCOFSE-TUAOUCFPSA-N -1 0 302.396 0.616 10 0 DCAERM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000731871512 664887650 /nfs/dbraw/zinc/88/76/50/664887650.db2.gz GWECJSKEMAXZRC-SNVBAGLBSA-N -1 0 316.361 0.707 10 0 DCAERM CCS(=O)(=O)CCNC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000233804987 665329406 /nfs/dbraw/zinc/32/94/06/665329406.db2.gz FDVDRHKSDJNXHT-JTQLQIEISA-N -1 0 308.400 0.467 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000700372341 666716213 /nfs/dbraw/zinc/71/62/13/666716213.db2.gz CDBXOYOAHKHRRB-LBPRGKRZSA-N -1 0 300.336 0.336 10 0 DCAERM O=C(c1cc(O)cc(Br)c1)N1CCOC[C@@H]1CO ZINC000700836990 666771448 /nfs/dbraw/zinc/77/14/48/666771448.db2.gz SGERCBQRIAVAIO-JTQLQIEISA-N -1 0 316.151 0.988 10 0 DCAERM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCCS1(=O)=O)CC2 ZINC000711622084 667512003 /nfs/dbraw/zinc/51/20/03/667512003.db2.gz HJOXVFJBXSZKFA-CWSCBRNRSA-N -1 0 301.364 0.419 10 0 DCAERM O=C([O-])[C@@]1(N2CCN(Cc3nc(C4CC4)no3)CC2)CCOC1 ZINC000886071950 667728401 /nfs/dbraw/zinc/72/84/01/667728401.db2.gz RTJSVJGOLXNZOW-OAHLLOKOSA-N -1 0 322.365 0.308 10 0 DCAERM CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000037415015 668095377 /nfs/dbraw/zinc/09/53/77/668095377.db2.gz XMDOHZUZJXWJHX-LDYMZIIASA-N -1 0 314.363 0.563 10 0 DCAERM CCc1oc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1C ZINC000192034995 670120490 /nfs/dbraw/zinc/12/04/90/670120490.db2.gz FEIGCOICAHDJAS-UHFFFAOYSA-N -1 0 302.352 0.346 10 0 DCAERM O=C([O-])CN(CC1CC1)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000036884518 670206710 /nfs/dbraw/zinc/20/67/10/670206710.db2.gz QXDQOHJAAOJWFT-JTQLQIEISA-N -1 0 321.420 0.230 10 0 DCAERM O=C(NCCCN1CCCC1=O)c1n[n-]c2ccccc2c1=O ZINC000111539610 671263125 /nfs/dbraw/zinc/26/31/25/671263125.db2.gz SSMUWPWDKYIUCN-UHFFFAOYSA-N -1 0 314.345 0.665 10 0 DCAERM COC[C@H](NC(=O)c1ccncc1Br)C(=O)[O-] ZINC000395849114 685269356 /nfs/dbraw/zinc/26/93/56/685269356.db2.gz SGDWBAGMGNKOSZ-QMMMGPOBSA-N -1 0 303.112 0.674 10 0 DCAERM O=C([O-])[C@@H](Cc1cncs1)NS(=O)(=O)N1CCCC1 ZINC000719070997 685308569 /nfs/dbraw/zinc/30/85/69/685308569.db2.gz ZBMLEZCKBHPGNV-SECBINFHSA-N -1 0 305.381 0.069 10 0 DCAERM Cc1nc(C)c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)s1 ZINC000092696182 685108770 /nfs/dbraw/zinc/10/87/70/685108770.db2.gz SHBJCJFRFQPULS-UHFFFAOYSA-N -1 0 307.335 0.747 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2ncc3ccccc32)C1 ZINC000237127484 1180816704 /nfs/dbraw/zinc/81/67/04/1180816704.db2.gz OMLBUBQWQHNGEQ-YPMHNXCESA-N -1 0 303.318 0.737 10 0 DCAERM COc1ccc(C)cc1CC(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000261935949 1185158978 /nfs/dbraw/zinc/15/89/78/1185158978.db2.gz UBKTWUYTJWTXIZ-UHFFFAOYSA-N -1 0 318.333 0.539 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000262168576 1185164373 /nfs/dbraw/zinc/16/43/73/1185164373.db2.gz QENKYQYIEOLUFH-OLZOCXBDSA-N -1 0 316.317 0.581 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)c2ccc3c(c2)CCC3)nn1 ZINC000262341593 1185166675 /nfs/dbraw/zinc/16/66/75/1185166675.db2.gz UISBAHGLWFTVMK-UHFFFAOYSA-N -1 0 300.318 0.781 10 0 DCAERM CC(C)(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262736735 1185170726 /nfs/dbraw/zinc/17/07/26/1185170726.db2.gz HUMZBBZXQPJPOG-MWLCHTKSSA-N -1 0 321.395 0.196 10 0 DCAERM CC(C)c1nc(C(=O)NCc2cn(CC(=O)[O-])nn2)cs1 ZINC000262788085 1185172039 /nfs/dbraw/zinc/17/20/39/1185172039.db2.gz KABOFKJNKKEOJD-UHFFFAOYSA-N -1 0 309.351 0.873 10 0 DCAERM CO[C@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1)C(=O)[O-] ZINC000262937150 1185174084 /nfs/dbraw/zinc/17/40/84/1185174084.db2.gz YTDMWVFMUNAPHK-UONOGXRCSA-N -1 0 322.361 0.778 10 0 DCAERM O=C([O-])c1ccc(CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000263335328 1185178269 /nfs/dbraw/zinc/17/82/69/1185178269.db2.gz DGOVQBXZIPYQRR-CHWSQXEVSA-N -1 0 317.345 0.805 10 0 DCAERM Cn1nccc1N1CCC[C@@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000263428009 1185178330 /nfs/dbraw/zinc/17/83/30/1185178330.db2.gz YGFXZMYFRXKUCY-NWDGAFQWSA-N -1 0 321.381 0.505 10 0 DCAERM CN(CC1=CCCOC1)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000696924985 804066875 /nfs/dbraw/zinc/06/68/75/804066875.db2.gz PETXCFLENYJCIT-NEPJUHHUSA-N -1 0 303.380 0.848 10 0 DCAERM CO[C@@H](C(=O)[O-])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000713259508 941007495 /nfs/dbraw/zinc/00/74/95/941007495.db2.gz LDCLWJDPYWNBIF-ZIAGYGMSSA-N -1 0 322.361 0.103 10 0 DCAERM C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000688107265 954623476 /nfs/dbraw/zinc/62/34/76/954623476.db2.gz PZDDDTRUTYKRMC-VWYCJHECSA-N -1 0 306.384 0.016 10 0 DCAERM CO[C@H]1CC[C@@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000687193108 976136294 /nfs/dbraw/zinc/13/62/94/976136294.db2.gz IVIGLEGIWQYOFR-SFYZADRCSA-N -1 0 304.324 0.561 10 0 DCAERM COCC(COC)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000688590064 976187047 /nfs/dbraw/zinc/18/70/47/976187047.db2.gz IOZZOPHNEJHLHY-JTQLQIEISA-N -1 0 311.400 0.457 10 0 DCAERM O=C([O-])C[C@@H](CNS(=O)(=O)c1cncc(F)c1)C1CC1 ZINC000690444023 976294506 /nfs/dbraw/zinc/29/45/06/976294506.db2.gz ATIWDACVNRNVMG-VIFPVBQESA-N -1 0 302.327 1.000 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000690464237 976300082 /nfs/dbraw/zinc/30/00/82/976300082.db2.gz NHIBCXIGNCDSQP-QMMMGPOBSA-N -1 0 321.786 0.853 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000694151922 976671121 /nfs/dbraw/zinc/67/11/21/976671121.db2.gz PIZBLNGHVCXPSP-SFGNSQDASA-N -1 0 301.320 0.369 10 0 DCAERM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1occc1Br ZINC000696490008 976815365 /nfs/dbraw/zinc/81/53/65/976815365.db2.gz SRFUBUSYFPFIDC-VDTYLAMSSA-N -1 0 304.096 0.702 10 0 DCAERM O=C([O-])C[C@@H]1CSCCN1CC[C@@H]1CCS(=O)(=O)C1 ZINC000696702270 976822388 /nfs/dbraw/zinc/82/23/88/976822388.db2.gz IIXTZMXVSLOPGB-GHMZBOCLSA-N -1 0 307.437 0.703 10 0 DCAERM COc1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])c(OC)c1 ZINC000278726268 214357230 /nfs/dbraw/zinc/35/72/30/214357230.db2.gz PBPPUNINSNMNCV-ONEGZZNKSA-N -1 0 301.320 0.623 10 0 DCAERM Cn1cnc(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)c1 ZINC000092436423 185318024 /nfs/dbraw/zinc/31/80/24/185318024.db2.gz FTRBYDGQKPAQDK-UHFFFAOYSA-N -1 0 301.246 0.058 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000044615272 545650894 /nfs/dbraw/zinc/65/08/94/545650894.db2.gz AUSMJZKKHMXKEI-QWRGUYRKSA-N -1 0 320.411 0.512 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000070311360 190880500 /nfs/dbraw/zinc/88/05/00/190880500.db2.gz PMVVIYHEGFBPIS-MRVPVSSYSA-N -1 0 318.351 0.513 10 0 DCAERM O=C([O-])c1ccc2c(c1)ncnc2N[C@H]1CCS(=O)(=O)C1 ZINC000004226305 181086507 /nfs/dbraw/zinc/08/65/07/181086507.db2.gz QSJNWVVETAUNQY-VIFPVBQESA-N -1 0 307.331 0.927 10 0 DCAERM CCCc1cc2nn(CC(=O)[O-])c(=O)n2c(-c2cnccn2)n1 ZINC000073695142 191342989 /nfs/dbraw/zinc/34/29/89/191342989.db2.gz DUGIVHIINJRNHL-UHFFFAOYSA-N -1 0 314.305 0.385 10 0 DCAERM CC(C)(CCC(=O)[O-])NC(=O)CCn1nc2ccccn2c1=O ZINC000236827393 202027887 /nfs/dbraw/zinc/02/78/87/202027887.db2.gz XAXDROOUPANASZ-UHFFFAOYSA-N -1 0 320.349 0.646 10 0 DCAERM O=C([O-])C[C@H]1COCCN1C(=O)c1cnc2ccccc2n1 ZINC000262314261 304085419 /nfs/dbraw/zinc/08/54/19/304085419.db2.gz QDJSTXOUHIIWBW-JTQLQIEISA-N -1 0 301.302 0.946 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C)O2)nc1C ZINC000180199711 237254035 /nfs/dbraw/zinc/25/40/35/237254035.db2.gz QXBLYRUHYVPOEB-WCBMZHEXSA-N -1 0 301.368 0.584 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)CN1C(=O)COc2ccccc21 ZINC000263418283 203464914 /nfs/dbraw/zinc/46/49/14/203464914.db2.gz IGTORUACQHCTIM-MRXNPFEDSA-N -1 0 318.329 0.878 10 0 DCAERM NS(=O)(=O)c1ccc(NC(=S)NCCCC(=O)[O-])cc1 ZINC000013835653 181905082 /nfs/dbraw/zinc/90/50/82/181905082.db2.gz JZWYSVWTQHKGPQ-UHFFFAOYSA-N -1 0 317.392 0.485 10 0 DCAERM C[C@H](NC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O)C(=O)[O-] ZINC000015050632 181984810 /nfs/dbraw/zinc/98/48/10/181984810.db2.gz UBKFQZBQKKTVTI-VYVBZAQUSA-N -1 0 324.314 0.905 10 0 DCAERM CCc1nnc(N2C(=O)C[C@@H](SCCC(=O)[O-])C2=O)s1 ZINC000016900658 182062930 /nfs/dbraw/zinc/06/29/30/182062930.db2.gz MGWPYGZSIPATMD-ZCFIWIBFSA-N -1 0 315.376 0.940 10 0 DCAERM NC(=O)C[C@@H](NC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000019432900 182123310 /nfs/dbraw/zinc/12/33/10/182123310.db2.gz MYDHCDKMOGHMCF-MRVPVSSYSA-N -1 0 315.123 0.508 10 0 DCAERM CC[C@H](C)NC(=O)c1ccc2c(c1)n1c([O-])nnc1n(C)c2=O ZINC000021730575 182287291 /nfs/dbraw/zinc/28/72/91/182287291.db2.gz FWGYSLGDOHFDTL-QMMMGPOBSA-N -1 0 315.333 0.815 10 0 DCAERM CCCC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000035410838 182774993 /nfs/dbraw/zinc/77/49/93/182774993.db2.gz FJPJIRFBOLILDD-MXWKQRLJSA-N -1 0 308.400 0.573 10 0 DCAERM COc1ccccc1[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000005598769 256519446 /nfs/dbraw/zinc/51/94/46/256519446.db2.gz ZPLAXCRBZHUVNZ-VIFPVBQESA-N -1 0 305.377 0.624 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085327619 395700058 /nfs/dbraw/zinc/70/00/58/395700058.db2.gz AIXDYZYGVUHLEM-VHSXEESVSA-N -1 0 307.368 0.502 10 0 DCAERM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000037413376 395726767 /nfs/dbraw/zinc/72/67/67/395726767.db2.gz BBFDCEIFVLKUOK-LLVKDONJSA-N -1 0 310.331 0.419 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043511507 395753628 /nfs/dbraw/zinc/75/36/28/395753628.db2.gz PYFOSIRPSGAOMP-NSHDSACASA-N -1 0 319.408 0.276 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H]1C(=O)[O-] ZINC000227866989 395870724 /nfs/dbraw/zinc/87/07/24/395870724.db2.gz YTDNUWIQPXFYMY-XPUUQOCRSA-N -1 0 307.759 0.557 10 0 DCAERM C[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)[C@H](C)CO ZINC000151936279 395996470 /nfs/dbraw/zinc/99/64/70/395996470.db2.gz ROHOTUJYUYKOJS-RKDXNWHRSA-N -1 0 306.409 0.160 10 0 DCAERM O=C([O-])[C@H]1CCC[C@@H](NC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000070572143 396102956 /nfs/dbraw/zinc/10/29/56/396102956.db2.gz BJMCEVNICSZPMN-VHSXEESVSA-N -1 0 304.368 0.070 10 0 DCAERM Cc1nn(C)c(C)c1OCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262212689 396111561 /nfs/dbraw/zinc/11/15/61/396111561.db2.gz SGXWTDIJGQFELT-CYBMUJFWSA-N -1 0 313.379 0.492 10 0 DCAERM COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263246435 396208453 /nfs/dbraw/zinc/20/84/53/396208453.db2.gz SGPUNPIRGHPIKC-UWVGGRQHSA-N -1 0 321.395 0.701 10 0 DCAERM Cc1ccn2ncc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)c2n1 ZINC000262776009 396180742 /nfs/dbraw/zinc/18/07/42/396180742.db2.gz LUEDWRPRNIYXJF-JQWIXIFHSA-N -1 0 318.333 0.647 10 0 DCAERM CSCC(=O)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000262951895 396193796 /nfs/dbraw/zinc/19/37/96/396193796.db2.gz OTEVULNROGLFAU-NSHDSACASA-N -1 0 302.396 0.664 10 0 DCAERM C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000263169020 396204658 /nfs/dbraw/zinc/20/46/58/396204658.db2.gz JDUAVGZDLBHOIN-HTQZYQBOSA-N -1 0 321.786 0.805 10 0 DCAERM O=C(NC[C@@H]1CCCC[C@@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000077157792 396214159 /nfs/dbraw/zinc/21/41/59/396214159.db2.gz MPJMKISPTAWTFC-KWQFWETISA-N -1 0 318.333 0.305 10 0 DCAERM CO[C@@H]1C[C@@H](CO)N(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263355557 396214741 /nfs/dbraw/zinc/21/47/41/396214741.db2.gz IWOKNYQHJZNDDA-QWHCGFSZSA-N -1 0 308.334 0.676 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000300297975 285713549 /nfs/dbraw/zinc/71/35/49/285713549.db2.gz KTBXWKMBIDFIGL-ONGXEEELSA-N -1 0 307.368 0.455 10 0 DCAERM C[C@@H](CNc1cc(S(=O)(=O)N2CCCC2)ccn1)C(=O)[O-] ZINC000581432004 396554499 /nfs/dbraw/zinc/55/44/99/396554499.db2.gz FQWKXKPBNCMKMJ-JTQLQIEISA-N -1 0 313.379 0.999 10 0 DCAERM CCOCCNC(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C ZINC000562395685 396661386 /nfs/dbraw/zinc/66/13/86/396661386.db2.gz FHCOAJBYHLEWAY-YGRLFVJLSA-N -1 0 302.371 0.981 10 0 DCAERM CC(C)C[C@@H](CNC(=O)NC[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000564840012 396876975 /nfs/dbraw/zinc/87/69/75/396876975.db2.gz KBKRHGJSWOBTPY-ZJUUUORDSA-N -1 0 308.400 0.466 10 0 DCAERM CCn1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])N2C2CC2)ccc1=O ZINC000630660798 397073257 /nfs/dbraw/zinc/07/32/57/397073257.db2.gz YYTUIUFJWBHMTC-CHWSQXEVSA-N -1 0 319.361 0.887 10 0 DCAERM O=C1C[C@@H]([N-]S(=O)(=O)CC(F)(F)F)[C@@H]2CCCCN12 ZINC000407974493 397342739 /nfs/dbraw/zinc/34/27/39/397342739.db2.gz BMIUVGSRINMTGI-SFYZADRCSA-N -1 0 300.302 0.622 10 0 DCAERM CC(=O)N1CCc2cc(C(=O)NCCc3nc(=O)o[n-]3)ccc21 ZINC000579072971 397519892 /nfs/dbraw/zinc/51/98/92/397519892.db2.gz CFNLCKFKRGLRFG-UHFFFAOYSA-N -1 0 316.317 0.244 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)Cn1ncc2ccccc2c1=O ZINC000262172658 158781268 /nfs/dbraw/zinc/78/12/68/158781268.db2.gz QTMIRMMMHKZFHI-SNVBAGLBSA-N -1 0 303.318 0.766 10 0 DCAERM CCO[C@@H]1C[C@](NC(=O)[C@H](C)NC(C)=O)(C(=O)[O-])C1(C)C ZINC000262824479 158843706 /nfs/dbraw/zinc/84/37/06/158843706.db2.gz QCNDQAGPEYHPEL-HNXYLICVSA-N -1 0 300.355 0.286 10 0 DCAERM O=C([O-])[C@H](CF)NC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000262991060 158851177 /nfs/dbraw/zinc/85/11/77/158851177.db2.gz QGAWJXCSPSLDIP-QWRGUYRKSA-N -1 0 312.272 0.718 10 0 DCAERM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263209773 158862417 /nfs/dbraw/zinc/86/24/17/158862417.db2.gz YVSAJHVRZHOJAK-YTWAJWBKSA-N -1 0 319.379 0.310 10 0 DCAERM COC[C@H](C)S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000368489668 159398111 /nfs/dbraw/zinc/39/81/11/159398111.db2.gz DUNMEGBOWBILIM-JGVFFNPUSA-N -1 0 301.311 0.393 10 0 DCAERM CC(C)OCCS(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000377152931 159901466 /nfs/dbraw/zinc/90/14/66/159901466.db2.gz ICNBOIAVCJQHJS-SECBINFHSA-N -1 0 315.338 0.783 10 0 DCAERM CC(C)(C)c1n[nH]cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408129753 160043494 /nfs/dbraw/zinc/04/34/94/160043494.db2.gz BLWPXECSAYUOSV-SECBINFHSA-N -1 0 315.395 0.946 10 0 DCAERM CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408147211 160047785 /nfs/dbraw/zinc/04/77/85/160047785.db2.gz BAJQLNXBQDFOFH-MNOVXSKESA-N -1 0 315.395 0.739 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)O1 ZINC000408174763 160052752 /nfs/dbraw/zinc/05/27/52/160052752.db2.gz UHNODEGJWSZIMF-RKDXNWHRSA-N -1 0 315.351 0.038 10 0 DCAERM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000408209335 160060685 /nfs/dbraw/zinc/06/06/85/160060685.db2.gz ZTVBRUQOJPBQKG-ZYHUDNBSSA-N -1 0 315.395 0.742 10 0 DCAERM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000408213087 160061746 /nfs/dbraw/zinc/06/17/46/160061746.db2.gz CPYCDPWEQRWKKK-HBNTYKKESA-N -1 0 315.395 0.742 10 0 DCAERM C[C@@H]1[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1(F)F ZINC000408232088 160064419 /nfs/dbraw/zinc/06/44/19/160064419.db2.gz RGOHAMDAHROFOT-QWWZWVQMSA-N -1 0 312.323 0.749 10 0 DCAERM C[C@H]1CN(S(=O)(=O)NCC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC000408238442 160066734 /nfs/dbraw/zinc/06/67/34/160066734.db2.gz XHRHTRDLHALONP-UWVGGRQHSA-N -1 0 308.400 0.272 10 0 DCAERM CC(C)[C@@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408259769 160071536 /nfs/dbraw/zinc/07/15/36/160071536.db2.gz QBMCEUHEUVPWPS-AVGNSLFASA-N -1 0 319.423 0.920 10 0 DCAERM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)CC(F)(F)F)C1 ZINC000408316084 160083131 /nfs/dbraw/zinc/08/31/31/160083131.db2.gz NTRLXEDSVSTNPM-SSDOTTSWSA-N -1 0 303.306 0.272 10 0 DCAERM Cn1cc(C(=O)[N-]S(=O)(=O)C2(C)CC2)c([C@H]2CCOC2)n1 ZINC000408349743 160089809 /nfs/dbraw/zinc/08/98/09/160089809.db2.gz LQDIIFWHXNGYPL-VIFPVBQESA-N -1 0 313.379 0.536 10 0 DCAERM Cc1cc2c(cc1C)[C@H](C(=O)[N-]S(=O)(=O)C1COC1)CO2 ZINC000408475956 160116452 /nfs/dbraw/zinc/11/64/52/160116452.db2.gz IONFUVUBNVYBEB-GFCCVEGCSA-N -1 0 311.359 0.624 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2cccs2)CCC(=O)NC1 ZINC000408478750 160117081 /nfs/dbraw/zinc/11/70/81/160117081.db2.gz RZCAPBJTWYVRLG-NSHDSACASA-N -1 0 302.377 0.469 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000408481366 160117682 /nfs/dbraw/zinc/11/76/82/160117682.db2.gz QYSFZFTVEAVHDT-QMMMGPOBSA-N -1 0 302.318 0.869 10 0 DCAERM CC(C)[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408481994 160117753 /nfs/dbraw/zinc/11/77/53/160117753.db2.gz GOJRJPBGQACKFK-UTUOFQBUSA-N -1 0 305.396 0.673 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1cccc2c1CC(=O)CC2 ZINC000408480056 160117953 /nfs/dbraw/zinc/11/79/53/160117953.db2.gz VWAMMQKVZYESTC-UHFFFAOYSA-N -1 0 309.343 0.203 10 0 DCAERM O=C([N-]S(=O)(=O)CC1CCC1)c1c[nH]nc1[C@H]1CCOC1 ZINC000408485033 160118694 /nfs/dbraw/zinc/11/86/94/160118694.db2.gz GLORTBPITMJYSJ-JTQLQIEISA-N -1 0 313.379 0.773 10 0 DCAERM CC(C)S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000408488834 160118918 /nfs/dbraw/zinc/11/89/18/160118918.db2.gz OLOLOGBASVFGCC-WDEREUQCSA-N -1 0 301.368 0.352 10 0 DCAERM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000408490329 160118934 /nfs/dbraw/zinc/11/89/34/160118934.db2.gz AFWPMFHNFBROEX-FIYWTHMPSA-N -1 0 316.423 0.342 10 0 DCAERM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3ccccn3)c2C1 ZINC000408493841 160119727 /nfs/dbraw/zinc/11/97/27/160119727.db2.gz BJADZEGLNYFRLB-SNVBAGLBSA-N -1 0 320.374 0.979 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1cc(Br)co1 ZINC000408502974 160120328 /nfs/dbraw/zinc/12/03/28/160120328.db2.gz RQPIIKIGDVWPPA-UHFFFAOYSA-N -1 0 310.125 0.501 10 0 DCAERM CSCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000054295616 286896483 /nfs/dbraw/zinc/89/64/83/286896483.db2.gz OLYPAAPQBXICTH-NXEZZACHSA-N -1 0 317.411 0.490 10 0 DCAERM CC[C@@H](CNS(=O)(=O)c1cn(CC)c(C)n1)CC(=O)[O-] ZINC000147384532 287030117 /nfs/dbraw/zinc/03/01/17/287030117.db2.gz OFLPEZUOVGAIQV-SNVBAGLBSA-N -1 0 303.384 0.991 10 0 DCAERM C[C@H](O)CN1CCN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1C ZINC000248416908 287096836 /nfs/dbraw/zinc/09/68/36/287096836.db2.gz QITQNSYTGWFPHH-QWRGUYRKSA-N -1 0 303.366 0.485 10 0 DCAERM CN(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000040591422 415196890 /nfs/dbraw/zinc/19/68/90/415196890.db2.gz PVYZBWXGIXLUIK-RKDXNWHRSA-N -1 0 306.384 0.314 10 0 DCAERM Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000333235545 415588362 /nfs/dbraw/zinc/58/83/62/415588362.db2.gz AAUCDHXGETWXFT-UHTWSYAYSA-N -1 0 322.365 0.756 10 0 DCAERM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCNC(=O)CC1 ZINC000175986679 416118421 /nfs/dbraw/zinc/11/84/21/416118421.db2.gz NBVBEAPMAWLPBQ-UHFFFAOYSA-N -1 0 300.318 0.540 10 0 DCAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)CCC(=O)N1CCOCC1)C2 ZINC000262280087 416336502 /nfs/dbraw/zinc/33/65/02/416336502.db2.gz VNAIVAMBBJTBRP-BLLLJJGKSA-N -1 0 324.377 0.339 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000262853087 416337072 /nfs/dbraw/zinc/33/70/72/416337072.db2.gz CBCGIOQTDDEMKS-WCBMZHEXSA-N -1 0 308.400 0.320 10 0 DCAERM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](C)[C@H](C)C(=O)[O-])C2=O ZINC000263505053 416338045 /nfs/dbraw/zinc/33/80/45/416338045.db2.gz ZUZDOECASPHABQ-VHSXEESVSA-N -1 0 318.329 0.816 10 0 DCAERM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000359372381 416343992 /nfs/dbraw/zinc/34/39/92/416343992.db2.gz RYFXRARKVZSFMS-BQBZGAKWSA-N -1 0 300.340 0.152 10 0 DCAERM CO[C@@H](C)CC(=O)N1CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000583623078 416480760 /nfs/dbraw/zinc/48/07/60/416480760.db2.gz LOGSEKPDONVJBZ-WCQYABFASA-N -1 0 314.382 0.726 10 0 DCAERM COC(=O)[C@H](N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C1(OC)CCC1 ZINC000459494319 416547337 /nfs/dbraw/zinc/54/73/37/416547337.db2.gz AMQADBHFSRVKJW-MNOVXSKESA-N -1 0 324.381 0.800 10 0 DCAERM CCCc1nc(=NC(=O)CCCN2C(=O)CCC2=O)s[n-]1 ZINC000545260615 416669873 /nfs/dbraw/zinc/66/98/73/416669873.db2.gz WBCRORDTZDAVPQ-UHFFFAOYSA-N -1 0 310.379 0.780 10 0 DCAERM O=C([O-])CN(C(=O)NCCCO[C@H]1CCOC1)C1CCC1 ZINC000516617697 416729538 /nfs/dbraw/zinc/72/95/38/416729538.db2.gz YTABOZUWBAUQCK-LBPRGKRZSA-N -1 0 300.355 0.831 10 0 DCAERM CCc1ncc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)s1 ZINC000523125054 417078302 /nfs/dbraw/zinc/07/83/02/417078302.db2.gz DNIJNYAZXQXDQX-UHFFFAOYSA-N -1 0 301.353 0.479 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCOC(C)C)C1 ZINC000380890167 417087478 /nfs/dbraw/zinc/08/74/78/417087478.db2.gz FGPWODCIUZRWDB-GFCCVEGCSA-N -1 0 309.384 0.164 10 0 DCAERM CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000448991101 417114748 /nfs/dbraw/zinc/11/47/48/417114748.db2.gz JLRFGHLBHGHTON-DTWKUNHWSA-N -1 0 314.363 0.434 10 0 DCAERM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1c(F)cccc1F ZINC000404155421 417118091 /nfs/dbraw/zinc/11/80/91/417118091.db2.gz POXFLYAFWIZJKA-GFCCVEGCSA-N -1 0 307.318 0.785 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CO1 ZINC000408428227 417161314 /nfs/dbraw/zinc/16/13/14/417161314.db2.gz TUYZHXJSFLNGOO-SNVBAGLBSA-N -1 0 321.395 0.401 10 0 DCAERM CN(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000530143679 417542437 /nfs/dbraw/zinc/54/24/37/417542437.db2.gz ZAVOWNHDBHONHK-LPEHRKFASA-N -1 0 304.368 0.020 10 0 DCAERM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000530154236 417547077 /nfs/dbraw/zinc/54/70/77/417547077.db2.gz RRDIYQRSLMTDRQ-QUARPLMYSA-N -1 0 306.384 0.182 10 0 DCAERM O=C([O-])C1(CNC(=O)NC[C@H]2CCSC2)CCOCC1 ZINC000228592270 545946235 /nfs/dbraw/zinc/94/62/35/545946235.db2.gz CXLBKHWVTRVFDF-SNVBAGLBSA-N -1 0 302.396 0.920 10 0 DCAERM Cc1nc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)c[nH]1 ZINC000547885187 288088489 /nfs/dbraw/zinc/08/84/89/288088489.db2.gz RDQDXGPRRFVBHZ-UHFFFAOYSA-N -1 0 309.347 0.994 10 0 DCAERM COCCCS(=O)(=O)N(Cc1cccnc1)[C@H](C)C(=O)[O-] ZINC000548213292 288121756 /nfs/dbraw/zinc/12/17/56/288121756.db2.gz RBXMOEQSXBJCMP-LLVKDONJSA-N -1 0 316.379 0.723 10 0 DCAERM CC(=O)N[C@H](C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1)C(C)C ZINC000552016573 288259287 /nfs/dbraw/zinc/25/92/87/288259287.db2.gz STHCPFXJSDEUNT-NSHDSACASA-N -1 0 309.370 0.377 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCO2)c1 ZINC000133217355 280783068 /nfs/dbraw/zinc/78/30/68/280783068.db2.gz MFCDWSCLPMPGCQ-GFCCVEGCSA-N -1 0 301.368 0.838 10 0 DCAERM CC(C)(C)c1ncc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1 ZINC000554546152 288327917 /nfs/dbraw/zinc/32/79/17/288327917.db2.gz QCQJDYVDFRQDHQ-UHFFFAOYSA-N -1 0 324.366 0.548 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@]2(C)C(=O)[O-])C[C@H](C)O1 ZINC000132869784 297047389 /nfs/dbraw/zinc/04/73/89/297047389.db2.gz NLRCOTRKVUKSSX-LOWVWBTDSA-N -1 0 320.411 0.670 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)[C@H]1CNC(=O)C1 ZINC000408495976 303818917 /nfs/dbraw/zinc/81/89/17/303818917.db2.gz OWPRJOHMYLCJNZ-JPPWEJMLSA-N -1 0 300.380 0.147 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000214374196 331661953 /nfs/dbraw/zinc/66/19/53/331661953.db2.gz YMXLYAGCSXGAKN-MFKMUULPSA-N -1 0 318.395 0.555 10 0 DCAERM CCc1[nH]c(=O)c(C(=O)NCC(=O)[O-])cc1Br ZINC000584604691 337371454 /nfs/dbraw/zinc/37/14/54/337371454.db2.gz JJXFTVVSYUBTBL-UHFFFAOYSA-N -1 0 303.112 0.927 10 0 DCAERM CC(=O)N(CCc1ccccc1)CC(=O)N[C@H](CF)C(=O)[O-] ZINC000262872211 519462980 /nfs/dbraw/zinc/46/29/80/519462980.db2.gz GEHHOAJMKBQQMK-CYBMUJFWSA-N -1 0 310.325 0.617 10 0 DCAERM Cn1nc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])ccc1=O ZINC000237821564 527545101 /nfs/dbraw/zinc/54/51/01/527545101.db2.gz SAEOUBUYCVACIE-LBPRGKRZSA-N -1 0 315.329 0.454 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000085976585 545705805 /nfs/dbraw/zinc/70/58/05/545705805.db2.gz TYFJZJPLJJIHTL-VXGBXAGGSA-N -1 0 320.411 0.169 10 0 DCAERM COCCOCCCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000159663515 545860476 /nfs/dbraw/zinc/86/04/76/545860476.db2.gz LDMYFYMXYOVDLX-NWDGAFQWSA-N -1 0 302.371 0.982 10 0 DCAERM CN(CC1(O)CCOCC1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000161950776 545867294 /nfs/dbraw/zinc/86/72/94/545867294.db2.gz LSKXJHCIUHSAQM-WDEREUQCSA-N -1 0 300.355 0.423 10 0 DCAERM COc1cc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)nn1C ZINC000357365000 546187858 /nfs/dbraw/zinc/18/78/58/546187858.db2.gz ODKIJDUKGMZPBB-UHFFFAOYSA-N -1 0 313.321 0.785 10 0 DCAERM C[C@@H]1CN(Cc2nsc(C(=O)[O-])n2)C[C@@H](C)S1(=O)=O ZINC000675055165 547659209 /nfs/dbraw/zinc/65/92/09/547659209.db2.gz NVVITHSOYWWOCP-RNFRBKRXSA-N -1 0 305.381 0.244 10 0 DCAERM CC(C)(C)OC(=O)NO[C@@]1(CC(=O)[O-])CCCS(=O)(=O)C1 ZINC000675055423 547659219 /nfs/dbraw/zinc/65/92/19/547659219.db2.gz SFQNXNZOHUOPJP-GFCCVEGCSA-N -1 0 323.367 0.865 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)Cc2cn3ccccc3n2)C1 ZINC000263003831 658212005 /nfs/dbraw/zinc/21/20/05/658212005.db2.gz KZTWZHRJWKGJQP-QWHCGFSZSA-N -1 0 317.345 0.967 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)c2ccc(Cl)nc2)n[n-]1 ZINC000726981862 662074539 /nfs/dbraw/zinc/07/45/39/662074539.db2.gz DHLHMBQVDPXQML-UHFFFAOYSA-N -1 0 301.715 0.509 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)CNS(=O)(=O)c1cccs1 ZINC000262135790 662103896 /nfs/dbraw/zinc/10/38/96/662103896.db2.gz LDLDDGATCNBKQI-QMMMGPOBSA-N -1 0 320.392 0.396 10 0 DCAERM CC(C)C[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000262494426 662417772 /nfs/dbraw/zinc/41/77/72/662417772.db2.gz XYMQSLOPDQGSDR-SECBINFHSA-N -1 0 301.368 0.607 10 0 DCAERM Cc1nc(N2CCCN(S(C)(=O)=O)CC2)sc1C(=O)[O-] ZINC000703153960 667054289 /nfs/dbraw/zinc/05/42/89/667054289.db2.gz WYADMGCRMYGXJU-UHFFFAOYSA-N -1 0 319.408 0.621 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000703763422 667139753 /nfs/dbraw/zinc/13/97/53/667139753.db2.gz ZSHYJFBIRZENMU-LLVKDONJSA-N -1 0 304.299 0.085 10 0 DCAERM CCn1[n-]nnc1=NC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000888337415 667300870 /nfs/dbraw/zinc/30/08/70/667300870.db2.gz ASGPEWOMRYIWOE-QMMMGPOBSA-N -1 0 309.355 0.177 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccoc2)cc1 ZINC000127509171 668982384 /nfs/dbraw/zinc/98/23/84/668982384.db2.gz JYPKCLDNYVOZGO-UHFFFAOYSA-N -1 0 322.342 0.687 10 0 DCAERM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)C2)cc1F ZINC000128943956 669323853 /nfs/dbraw/zinc/32/38/53/669323853.db2.gz XGOYOULPOKFKAN-SSDOTTSWSA-N -1 0 318.301 0.214 10 0 DCAERM CO[C@@H](C(=O)[O-])C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000713290403 670155104 /nfs/dbraw/zinc/15/51/04/670155104.db2.gz PJXKLAMZNZMBDU-CYBMUJFWSA-N -1 0 303.318 0.647 10 0 DCAERM COCC1CC(NS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000713934656 670171826 /nfs/dbraw/zinc/17/18/26/670171826.db2.gz HJBVPARQHHXLPM-HSOILSAZSA-N -1 0 306.384 0.042 10 0 DCAERM C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000193029740 670224100 /nfs/dbraw/zinc/22/41/00/670224100.db2.gz LZCFMJCLPVJTEA-IUCAKERBSA-N -1 0 302.327 0.698 10 0 DCAERM Cc1cc(S(=O)(=O)NCc2cnn(C)n2)sc1C(=O)[O-] ZINC000389821197 685258465 /nfs/dbraw/zinc/25/84/65/685258465.db2.gz DTWUIKFGLARLGB-UHFFFAOYSA-N -1 0 316.364 0.362 10 0 DCAERM COCC[C@H](NC(=O)NC[C@@]1(OC)CCSC1)C(=O)[O-] ZINC000719232565 685309512 /nfs/dbraw/zinc/30/95/12/685309512.db2.gz ZHOMUSALRAJCSK-CABZTGNLSA-N -1 0 306.384 0.297 10 0 DCAERM O=C([O-])/C=C/CNS(=O)(=O)c1cncc(Br)c1 ZINC000303997400 685209754 /nfs/dbraw/zinc/20/97/54/685209754.db2.gz GZUFWRRTXABJHI-OWOJBTEDSA-N -1 0 321.152 0.763 10 0 DCAERM CC1(C)CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CCO1 ZINC000379960003 685235715 /nfs/dbraw/zinc/23/57/15/685235715.db2.gz GCJXVYYUAULTCZ-UHFFFAOYSA-N -1 0 300.336 0.579 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1O ZINC000387873849 1158950619 /nfs/dbraw/zinc/95/06/19/1158950619.db2.gz KNUJPEOBTXXXNP-WRWORJQWSA-N -1 0 302.308 0.302 10 0 DCAERM CCOc1nc(NC(=O)c2cnc3sccn3c2=O)n[n-]1 ZINC000228770486 1180399420 /nfs/dbraw/zinc/39/94/20/1180399420.db2.gz JSZPXYJPIHLWCK-UHFFFAOYSA-N -1 0 306.307 0.525 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2csc3nccn23)C1 ZINC000262115666 1185162680 /nfs/dbraw/zinc/16/26/80/1185162680.db2.gz HTIDLZQYAYSOTQ-ZJUUUORDSA-N -1 0 309.347 0.639 10 0 DCAERM COc1cccc(OC)c1CC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000262103846 1185162850 /nfs/dbraw/zinc/16/28/50/1185162850.db2.gz FTPRXICATRVUTC-ZYHUDNBSSA-N -1 0 323.345 0.947 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc(NC(N)=O)c2)C1 ZINC000262219294 1185163830 /nfs/dbraw/zinc/16/38/30/1185163830.db2.gz ZLYJWDVBSUIVHH-QWRGUYRKSA-N -1 0 307.306 0.491 10 0 DCAERM COCc1nc(C(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])cs1 ZINC000262188058 1185164225 /nfs/dbraw/zinc/16/42/25/1185164225.db2.gz TYHCIMKAHKGBJL-VXNVDRBHSA-N -1 0 300.336 0.604 10 0 DCAERM CC[C@@H](C)[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC000262546636 1185167845 /nfs/dbraw/zinc/16/78/45/1185167845.db2.gz SUOLOGXBKXQOON-BXKDBHETSA-N -1 0 305.396 0.959 10 0 DCAERM COc1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)c(C)c1 ZINC000262777072 1185172968 /nfs/dbraw/zinc/17/29/68/1185172968.db2.gz ILWQUMLLUOBJMI-UHFFFAOYSA-N -1 0 304.306 0.610 10 0 DCAERM Cn1nccc1N1CCC[C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000263428018 1185178464 /nfs/dbraw/zinc/17/84/64/1185178464.db2.gz YGFXZMYFRXKUCY-VXGBXAGGSA-N -1 0 321.381 0.505 10 0 DCAERM CC[C@@H](CNC(=O)NC[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000694083715 954771845 /nfs/dbraw/zinc/77/18/45/954771845.db2.gz XKFYXYUATIFYHC-VHSXEESVSA-N -1 0 306.384 0.364 10 0 DCAERM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000687208692 976138137 /nfs/dbraw/zinc/13/81/37/976138137.db2.gz SFZLIMAKEILMTD-AOOOYVTPSA-N -1 0 300.336 0.445 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H](C)C1O ZINC000688053978 976164146 /nfs/dbraw/zinc/16/41/46/976164146.db2.gz TZBDBARFYDDZRW-YUMQZZPRSA-N -1 0 302.352 0.350 10 0 DCAERM C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000688093882 976167432 /nfs/dbraw/zinc/16/74/32/976167432.db2.gz FEPOGJFZXIQDFQ-HTQZYQBOSA-N -1 0 320.392 0.765 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000688528913 976183014 /nfs/dbraw/zinc/18/30/14/976183014.db2.gz XUPKHZTVHQGZBT-UHFFFAOYSA-N -1 0 303.336 0.793 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@H](CCF)C2)on1 ZINC000692044554 976398270 /nfs/dbraw/zinc/39/82/70/976398270.db2.gz NBAQGYQOBZUYOT-ZETCQYMHSA-N -1 0 308.287 0.122 10 0 DCAERM CCN(C(=O)NC/C=C(\C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000692419467 976458795 /nfs/dbraw/zinc/45/87/95/976458795.db2.gz RZIUVIPQACFISL-LLGDCAAFSA-N -1 0 304.368 0.236 10 0 DCAERM CCNC(=O)NC(=O)C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692429868 976470269 /nfs/dbraw/zinc/47/02/69/976470269.db2.gz ZJQHNWKCHWAPOA-UHFFFAOYSA-N -1 0 307.350 0.809 10 0 DCAERM O=C([O-])C1(CNC(=O)NCC2SCCS2)CCOCC1 ZINC000693444713 976634878 /nfs/dbraw/zinc/63/48/78/976634878.db2.gz YDOWEADGSCPRPG-UHFFFAOYSA-N -1 0 320.436 0.973 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000694070839 976664552 /nfs/dbraw/zinc/66/45/52/976664552.db2.gz IBNZGPWPZZSICI-HBNTYKKESA-N -1 0 303.380 0.571 10 0 DCAERM CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211081 976682603 /nfs/dbraw/zinc/68/26/03/976682603.db2.gz HHPWSIVSMBVGST-XPUUQOCRSA-N -1 0 309.365 0.369 10 0 DCAERM CCOC(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694213486 976683876 /nfs/dbraw/zinc/68/38/76/976683876.db2.gz XERJLDZAWXTACG-UHFFFAOYSA-N -1 0 305.308 0.599 10 0 DCAERM C[S@@](=O)CCNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000698793859 976904202 /nfs/dbraw/zinc/90/42/02/976904202.db2.gz UDNRNVYRDWPOBW-HXUWFJFHSA-N -1 0 302.356 0.203 10 0 DCAERM O=C(N[C@H]1CCc2ncnn2C1)c1nn(-c2ccccc2)cc1[O-] ZINC000173549085 303985804 /nfs/dbraw/zinc/98/58/04/303985804.db2.gz GZQSYJOEGSQDPY-NSHDSACASA-N -1 0 324.344 0.914 10 0 DCAERM O=C([O-])C1(NS(=O)(=O)c2ccc(F)cc2)CCOCC1 ZINC000131793511 304033896 /nfs/dbraw/zinc/03/38/96/304033896.db2.gz BLZCRLBELYCTMW-UHFFFAOYSA-N -1 0 303.311 0.738 10 0 DCAERM O=C([O-])Cn1c(=O)n(Cc2ccncc2)c(=O)c2ccccc21 ZINC000073658547 191337481 /nfs/dbraw/zinc/33/74/81/191337481.db2.gz FXOUSWALEPHHJX-UHFFFAOYSA-N -1 0 311.297 0.691 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)NCC2(CC(=O)[O-])CCC2)C[C@@H](C)O1 ZINC000164929441 291248383 /nfs/dbraw/zinc/24/83/83/291248383.db2.gz XJXNREWXJURYHN-GHMZBOCLSA-N -1 0 320.411 0.575 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000407986996 239258350 /nfs/dbraw/zinc/25/83/50/239258350.db2.gz PEALVXOURMTWLW-GXSJLCMTSA-N -1 0 303.311 0.424 10 0 DCAERM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1ccccc1 ZINC000092778475 304151098 /nfs/dbraw/zinc/15/10/98/304151098.db2.gz YROJNHUTBRFRBA-LBPRGKRZSA-N -1 0 307.331 0.610 10 0 DCAERM CSCC[C@@H](NC(N)=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000094702619 193392648 /nfs/dbraw/zinc/39/26/48/193392648.db2.gz SGQUMIJROVATHL-NXEZZACHSA-N -1 0 319.427 0.640 10 0 DCAERM C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000013584090 181865761 /nfs/dbraw/zinc/86/57/61/181865761.db2.gz CVPIODMUJGOHDH-LURJTMIESA-N -1 0 303.365 0.094 10 0 DCAERM O=C([O-])[C@@]12CCC[C@H]1CN(S(=O)(=O)[C@H]1CCCOC1)C2 ZINC000263496292 304168434 /nfs/dbraw/zinc/16/84/34/304168434.db2.gz QYDAFABUEVYRJE-GMXVVIOVSA-N -1 0 303.380 0.682 10 0 DCAERM NC(=O)C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000019265390 182111578 /nfs/dbraw/zinc/11/15/78/182111578.db2.gz OPHZWLWDLKMEOF-SCSAIBSYSA-N -1 0 321.152 0.569 10 0 DCAERM CCn1ncc(CN(C)C(=O)c2c(C(=O)[O-])cnn2C)c1C ZINC000020318482 182206516 /nfs/dbraw/zinc/20/65/16/182206516.db2.gz UFTUGHDVICFLQM-UHFFFAOYSA-N -1 0 305.338 0.915 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2c(C)noc2C)C1 ZINC000021814595 182293142 /nfs/dbraw/zinc/29/31/42/182293142.db2.gz CLAGCKRDHNLOCW-DTWKUNHWSA-N -1 0 304.324 0.154 10 0 DCAERM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@@H]1C1CC1 ZINC000262690062 304197667 /nfs/dbraw/zinc/19/76/67/304197667.db2.gz ZXWAYVOTJVCURY-GRYCIOLGSA-N -1 0 315.391 0.523 10 0 DCAERM COC[C@@H](O)CN(C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000042510312 183278517 /nfs/dbraw/zinc/27/85/17/183278517.db2.gz AMXJYXSRORHLMZ-ZETCQYMHSA-N -1 0 309.365 0.074 10 0 DCAERM COc1cc(-c2nnnn2CCC(=O)[O-])cc(OC)c1OC ZINC000062469051 184239602 /nfs/dbraw/zinc/23/96/02/184239602.db2.gz FJOFFWNDPVQWPO-UHFFFAOYSA-N -1 0 308.294 0.841 10 0 DCAERM O=C([O-])CCNC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O ZINC000015050283 395689701 /nfs/dbraw/zinc/68/97/01/395689701.db2.gz LTFOQIRCVNCCEP-TWGQIWQCSA-N -1 0 324.314 0.907 10 0 DCAERM CCCOc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000037420594 395727153 /nfs/dbraw/zinc/72/71/53/395727153.db2.gz GAQMYPAAWVNUNF-BXKDBHETSA-N -1 0 317.363 0.588 10 0 DCAERM CN(C1CCCCC1)S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC000040396533 395733558 /nfs/dbraw/zinc/73/35/58/395733558.db2.gz XHCBPCCHZJBGAK-JTQLQIEISA-N -1 0 308.425 0.955 10 0 DCAERM CC[C@H](C)[C@@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-] ZINC000050265455 395837892 /nfs/dbraw/zinc/83/78/92/395837892.db2.gz VULHVJOHHBBLCT-GZMMTYOYSA-N -1 0 303.384 0.989 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000125609389 395904777 /nfs/dbraw/zinc/90/47/77/395904777.db2.gz SJGFNKDMIWBCAW-NXEZZACHSA-N -1 0 307.368 0.455 10 0 DCAERM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000227866673 395869961 /nfs/dbraw/zinc/86/99/61/395869961.db2.gz WNGZONBXXBIBMO-ZETCQYMHSA-N -1 0 309.775 0.805 10 0 DCAERM CN1CC[C@H](Nc2nc[n-]c(=O)c2I)C1 ZINC000165228219 396087565 /nfs/dbraw/zinc/08/75/65/396087565.db2.gz DFDMQIHLPHDUMX-LURJTMIESA-N -1 0 320.134 0.491 10 0 DCAERM COCCN(CCOC)C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000165427065 396088244 /nfs/dbraw/zinc/08/82/44/396088244.db2.gz OHCKKGYHFDQSRW-FZMZJTMJSA-N -1 0 302.371 0.934 10 0 DCAERM CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC000263271766 396211208 /nfs/dbraw/zinc/21/12/08/396211208.db2.gz MEEPTEYXEWDLOT-GARJFASQSA-N -1 0 317.407 0.817 10 0 DCAERM CC(C)CS(=O)(=O)CC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262838025 396186127 /nfs/dbraw/zinc/18/61/27/396186127.db2.gz SVBREMNVMONPLH-UHFFFAOYSA-N -1 0 320.392 0.528 10 0 DCAERM CNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCC(=O)[O-])c(C)o1 ZINC000262907456 396191297 /nfs/dbraw/zinc/19/12/97/396191297.db2.gz HBFQEKZFDDODHK-SSDOTTSWSA-N -1 0 318.351 0.479 10 0 DCAERM COc1ccc(OC)c(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262955498 396194481 /nfs/dbraw/zinc/19/44/81/396194481.db2.gz JMECVIANPKXPNV-CQSZACIVSA-N -1 0 323.345 0.948 10 0 DCAERM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccnc(N3CCOCC3)n2)C1 ZINC000263076913 396200397 /nfs/dbraw/zinc/20/03/97/396200397.db2.gz BATXACJXYDIKLM-NEPJUHHUSA-N -1 0 306.366 0.860 10 0 DCAERM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCCCC(=O)[O-] ZINC000263319332 396213568 /nfs/dbraw/zinc/21/35/68/396213568.db2.gz QZKUYPOVBWSPSE-SNVBAGLBSA-N -1 0 306.384 0.172 10 0 DCAERM CC(C)c1cccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000263510441 396219237 /nfs/dbraw/zinc/21/92/37/396219237.db2.gz XMQBWOBICGPERD-ZDUSSCGKSA-N -1 0 301.364 0.924 10 0 DCAERM Cn1cc([C@H]([N-]S(=O)(=O)[C@@H]2CCOC2)C(F)(F)F)cn1 ZINC000562614194 396672048 /nfs/dbraw/zinc/67/20/48/396672048.db2.gz PRRZERADTYTCOL-BDAKNGLRSA-N -1 0 313.301 0.732 10 0 DCAERM CCOC(=O)CCS(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596026724 396710004 /nfs/dbraw/zinc/71/00/04/396710004.db2.gz LVNHSIYMNQHPIM-JTQLQIEISA-N -1 0 307.368 0.360 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCC2)C1 ZINC000312533413 396765083 /nfs/dbraw/zinc/76/50/83/396765083.db2.gz GWHQAGSJBOPTAE-CYBMUJFWSA-N -1 0 305.396 0.930 10 0 DCAERM CN(CCn1cccn1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000630655383 397071039 /nfs/dbraw/zinc/07/10/39/397071039.db2.gz DHSJRCAMMJTAGY-OLZOCXBDSA-N -1 0 306.366 0.422 10 0 DCAERM C[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)[C@H](C)O1 ZINC000384920425 397282968 /nfs/dbraw/zinc/28/29/68/397282968.db2.gz PHZDBBNLIHYITA-RCWTZXSCSA-N -1 0 306.384 0.183 10 0 DCAERM Cn1cc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nn1 ZINC000389951604 397298278 /nfs/dbraw/zinc/29/82/78/397298278.db2.gz SHOWGQICRCUTSQ-UHFFFAOYSA-N -1 0 315.286 0.341 10 0 DCAERM CC(C)C[C@@H](CNC(=O)NCCN1CCOCC1)C(=O)[O-] ZINC000094704951 158122699 /nfs/dbraw/zinc/12/26/99/158122699.db2.gz XNQDMSGDTQHYSQ-LBPRGKRZSA-N -1 0 301.387 0.365 10 0 DCAERM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114630781 158154684 /nfs/dbraw/zinc/15/46/84/158154684.db2.gz KZFPHIUFEGZCCZ-SNVBAGLBSA-N -1 0 320.374 0.399 10 0 DCAERM NC(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccccn3n2)c1 ZINC000130686697 158295838 /nfs/dbraw/zinc/29/58/38/158295838.db2.gz PKZDVANAAKDKGH-UHFFFAOYSA-N -1 0 317.330 0.629 10 0 DCAERM C[C@@]1(C(=O)[O-])CCCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000134054218 158324042 /nfs/dbraw/zinc/32/40/42/158324042.db2.gz QHIOLBRCHHMBQI-LBPRGKRZSA-N -1 0 304.368 0.166 10 0 DCAERM O=C([O-])c1cccc2c1OCCN2S(=O)(=O)c1cn[nH]c1 ZINC000165649233 158364482 /nfs/dbraw/zinc/36/44/82/158364482.db2.gz OWVDQYACIRNEMH-UHFFFAOYSA-N -1 0 309.303 0.696 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000261961893 158759084 /nfs/dbraw/zinc/75/90/84/158759084.db2.gz XUTMEQOSVOBTQC-BBRMVZONSA-N -1 0 321.329 0.776 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000262132865 158777137 /nfs/dbraw/zinc/77/71/37/158777137.db2.gz KPIORIHMWBTFRW-XXILOJSOSA-N -1 0 309.366 0.841 10 0 DCAERM Cc1ccnc2nc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)nn21 ZINC000262711728 158834932 /nfs/dbraw/zinc/83/49/32/158834932.db2.gz CRYCFHMPPJFXLO-UWVGGRQHSA-N -1 0 319.321 0.042 10 0 DCAERM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CF)C(=O)[O-] ZINC000262856300 158845396 /nfs/dbraw/zinc/84/53/96/158845396.db2.gz DSDUVSBOZGWJGB-NXEZZACHSA-N -1 0 302.346 0.953 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CNC(=O)c1ccccn1 ZINC000263099587 158856457 /nfs/dbraw/zinc/85/64/57/158856457.db2.gz CSPYGCWKJZGISO-MNOVXSKESA-N -1 0 305.334 0.523 10 0 DCAERM C/C=C/C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000263300536 158870255 /nfs/dbraw/zinc/87/02/55/158870255.db2.gz UJFBPSKDWWCCJX-QAVQXKDTSA-N -1 0 315.333 0.876 10 0 DCAERM C[C@@H](O)[C@@H](CO)NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263441200 158879215 /nfs/dbraw/zinc/87/92/15/158879215.db2.gz DOPKVNFWACADKF-KWCYVHTRSA-N -1 0 324.377 0.503 10 0 DCAERM Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)nc(C)n1 ZINC000329083653 159060453 /nfs/dbraw/zinc/06/04/53/159060453.db2.gz SUYCQDUVLIHVDL-JTQLQIEISA-N -1 0 302.338 0.937 10 0 DCAERM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)nc1C ZINC000408127897 160043009 /nfs/dbraw/zinc/04/30/09/160043009.db2.gz YPXYRYKWBGFOED-LLVKDONJSA-N -1 0 313.379 0.640 10 0 DCAERM Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000408133546 160044056 /nfs/dbraw/zinc/04/40/56/160044056.db2.gz PJKMYOWJVUEFFR-CBAPKCEASA-N -1 0 316.404 0.776 10 0 DCAERM CCc1nc(=N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)s[n-]1 ZINC000408240394 160067139 /nfs/dbraw/zinc/06/71/39/160067139.db2.gz CHTHIVDDYVRQMW-IUCAKERBSA-N -1 0 304.441 0.795 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)[C@H]1CCCOCC1 ZINC000408253660 160069945 /nfs/dbraw/zinc/06/99/45/160069945.db2.gz IXFJQIVIWHLJTF-RYUDHWBXSA-N -1 0 305.396 0.676 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000408481365 160117672 /nfs/dbraw/zinc/11/76/72/160117672.db2.gz QYSFZFTVEAVHDT-MRVPVSSYSA-N -1 0 302.318 0.869 10 0 DCAERM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000408486450 160118391 /nfs/dbraw/zinc/11/83/91/160118391.db2.gz JGOWYEZIJBHPAG-ZMLRMANQSA-N -1 0 315.395 0.742 10 0 DCAERM CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000408487240 160118537 /nfs/dbraw/zinc/11/85/37/160118537.db2.gz LEYFIXNRFCFNPH-UHFFFAOYSA-N -1 0 310.375 0.615 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000408490058 160118924 /nfs/dbraw/zinc/11/89/24/160118924.db2.gz YFYBIDAXOXNUKM-VIFPVBQESA-N -1 0 324.362 0.625 10 0 DCAERM CC(C)[C@@H]1OCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408488574 160118931 /nfs/dbraw/zinc/11/89/31/160118931.db2.gz ZBXZRNOLCZHUNZ-QWRGUYRKSA-N -1 0 301.368 0.286 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000408505442 160120569 /nfs/dbraw/zinc/12/05/69/160120569.db2.gz ZDTZBOJFNJJHFT-NSHDSACASA-N -1 0 315.370 0.900 10 0 DCAERM O=C(N[C@@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000178952821 287055274 /nfs/dbraw/zinc/05/52/74/287055274.db2.gz HVTZKURCNLVTOQ-DGCLKSJQSA-N -1 0 304.346 0.902 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000248611711 287098520 /nfs/dbraw/zinc/09/85/20/287098520.db2.gz XQYNWJFBILHLMZ-OLZOCXBDSA-N -1 0 318.439 0.876 10 0 DCAERM CCn1cnc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)c1 ZINC000252607512 287120595 /nfs/dbraw/zinc/12/05/95/287120595.db2.gz RMITYSAZBQGNCE-YUMQZZPRSA-N -1 0 305.381 0.440 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000253159993 287121116 /nfs/dbraw/zinc/12/11/16/287121116.db2.gz SJGFNKDMIWBCAW-UWVGGRQHSA-N -1 0 307.368 0.455 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000021514849 415154451 /nfs/dbraw/zinc/15/44/51/415154451.db2.gz IEZAYPNBPDCTAC-GXSJLCMTSA-N -1 0 303.311 0.688 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000357069327 416028175 /nfs/dbraw/zinc/02/81/75/416028175.db2.gz IGLLVPCIGIIINN-JTQLQIEISA-N -1 0 316.321 0.182 10 0 DCAERM O=C(Cc1cnn(-c2ccccc2)c1)NC1(c2nnn[n-]2)CC1 ZINC000357068917 416028314 /nfs/dbraw/zinc/02/83/14/416028314.db2.gz AUPICZCGXZYPHC-UHFFFAOYSA-N -1 0 309.333 0.733 10 0 DCAERM C[C@H](Oc1cccc(CO)c1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357076019 416031289 /nfs/dbraw/zinc/03/12/89/416031289.db2.gz LFVVHKNBLXIASM-VIFPVBQESA-N -1 0 303.322 0.265 10 0 DCAERM O=C([O-])CC[C@H]1CCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000313244800 416106957 /nfs/dbraw/zinc/10/69/57/416106957.db2.gz WDPGGFRUAQAYSN-SNVBAGLBSA-N -1 0 304.368 0.166 10 0 DCAERM O=C(NC[C@@H](O)CN1CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000176439316 416126194 /nfs/dbraw/zinc/12/61/94/416126194.db2.gz ITDKNJNZTFGVAA-LLVKDONJSA-N -1 0 314.769 0.469 10 0 DCAERM CC[C@H]1C[C@H](CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCO1 ZINC000359493432 416348168 /nfs/dbraw/zinc/34/81/68/416348168.db2.gz BUWZCEFJDJUIFI-BDAKNGLRSA-N -1 0 316.383 0.742 10 0 DCAERM C[C@@H]1CCC[C@@H](OCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000522139941 417052059 /nfs/dbraw/zinc/05/20/59/417052059.db2.gz AVSQIWNZPGZZDT-RKDXNWHRSA-N -1 0 316.383 0.742 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)c[nH]1 ZINC000438717797 287375360 /nfs/dbraw/zinc/37/53/60/287375360.db2.gz OSLMICIJMALYOZ-UHFFFAOYSA-N -1 0 322.346 0.874 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@H]2CC2(F)F)C1 ZINC000622039941 417376466 /nfs/dbraw/zinc/37/64/66/417376466.db2.gz YVWKPKSRIXXQSI-IUCAKERBSA-N -1 0 312.338 0.663 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530153475 417545178 /nfs/dbraw/zinc/54/51/78/417545178.db2.gz VTBHYCLPHVNJBY-KXNHARMFSA-N -1 0 302.396 0.806 10 0 DCAERM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000252432830 287585450 /nfs/dbraw/zinc/58/54/50/287585450.db2.gz BEOIXBNCAYQVCX-DCAQKATOSA-N -1 0 308.400 0.526 10 0 DCAERM O=C([O-])C1(CNC(=O)NC[C@@H]2CCSC2)CCOCC1 ZINC000228592263 545946253 /nfs/dbraw/zinc/94/62/53/545946253.db2.gz CXLBKHWVTRVFDF-JTQLQIEISA-N -1 0 302.396 0.920 10 0 DCAERM CN(C)C(=O)c1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357078376 261503828 /nfs/dbraw/zinc/50/38/28/261503828.db2.gz OVZYWFQKQOFPSO-UHFFFAOYSA-N -1 0 300.322 0.321 10 0 DCAERM CCCc1nc(=NC(=O)c2cc(C)c(C(N)=O)cn2)s[n-]1 ZINC000448874127 271834589 /nfs/dbraw/zinc/83/45/89/271834589.db2.gz MBOXTRFHKFYLNR-UHFFFAOYSA-N -1 0 305.363 0.967 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc(N3CCC3=O)cc2)O1 ZINC000540616821 287904368 /nfs/dbraw/zinc/90/43/68/287904368.db2.gz NJSYEIGUELOGSS-NWDGAFQWSA-N -1 0 304.302 0.994 10 0 DCAERM CC(C)(C)OC(=O)N1CC[C@]2(C1)[C@@H](C(=O)[O-])CCS2(=O)=O ZINC000091302943 278413385 /nfs/dbraw/zinc/41/33/85/278413385.db2.gz JLGMRHTZBBORJA-RNCFNFMXSA-N -1 0 319.379 0.885 10 0 DCAERM CC(C)[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408504497 280077260 /nfs/dbraw/zinc/07/72/60/280077260.db2.gz YICMBIAMWNVNKP-WOPDTQHZSA-N -1 0 305.396 0.673 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000551999068 288257190 /nfs/dbraw/zinc/25/71/90/288257190.db2.gz FGWJQOMJTSKGLS-ZJUUUORDSA-N -1 0 308.400 0.573 10 0 DCAERM CCOC(=O)C1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC000555554972 288354786 /nfs/dbraw/zinc/35/47/86/288354786.db2.gz CYKBDEJCRZTJGM-SECBINFHSA-N -1 0 308.338 0.560 10 0 DCAERM CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262485451 281861914 /nfs/dbraw/zinc/86/19/14/281861914.db2.gz LEMDZGNUOQLUGK-LLVKDONJSA-N -1 0 312.366 0.216 10 0 DCAERM CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](CCOC)C(=O)[O-] ZINC000262289664 281879260 /nfs/dbraw/zinc/87/92/60/281879260.db2.gz KXQONOGMEONVRE-GHMZBOCLSA-N -1 0 300.355 0.383 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000234220021 288744268 /nfs/dbraw/zinc/74/42/68/288744268.db2.gz OFNWPPCCWMSKRC-MWLCHTKSSA-N -1 0 301.368 0.777 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000262139354 294651368 /nfs/dbraw/zinc/65/13/68/294651368.db2.gz LSNUYXDWVUPOFC-GXFFZTMASA-N -1 0 320.345 0.980 10 0 DCAERM Cc1cc(C)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c(C)c1 ZINC000036965368 301198234 /nfs/dbraw/zinc/19/82/34/301198234.db2.gz VLODUVXHGHDPIS-GHMZBOCLSA-N -1 0 301.364 0.724 10 0 DCAERM CCC1(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCOCC1 ZINC000389474204 336394280 /nfs/dbraw/zinc/39/42/80/336394280.db2.gz OFXMVHSNHARSLX-UHFFFAOYSA-N -1 0 303.340 0.345 10 0 DCAERM C[C@@H](CCNS(=O)(=O)c1c(Cl)cnn1C)CC(=O)[O-] ZINC000392971343 337082259 /nfs/dbraw/zinc/08/22/59/337082259.db2.gz UVTFTJZWPTVFAW-ZETCQYMHSA-N -1 0 309.775 0.853 10 0 DCAERM CN1C[C@@H](C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC1=O ZINC000262954817 524006645 /nfs/dbraw/zinc/00/66/45/524006645.db2.gz RBDVRFDOWUPSRN-JQWIXIFHSA-N -1 0 308.309 0.588 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N=S2(=O)CCOCC2)cc1 ZINC000725261193 548749342 /nfs/dbraw/zinc/74/93/42/548749342.db2.gz UCOBZMCYLLZQAG-UHFFFAOYSA-N -1 0 319.360 0.572 10 0 DCAERM O=C([O-])CCCS(=O)(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723742252 657489918 /nfs/dbraw/zinc/48/99/18/657489918.db2.gz YHDVTULYRMUBRL-YPMHNXCESA-N -1 0 305.396 0.976 10 0 DCAERM C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000176834634 658088058 /nfs/dbraw/zinc/08/80/58/658088058.db2.gz ULQRZGBCMHGGMF-GFCCVEGCSA-N -1 0 312.391 0.558 10 0 DCAERM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000181900433 665690599 /nfs/dbraw/zinc/69/05/99/665690599.db2.gz RACMBWIZSAVQBR-MNOVXSKESA-N -1 0 304.412 0.878 10 0 DCAERM Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262360885 662353988 /nfs/dbraw/zinc/35/39/88/662353988.db2.gz GTUYDVYHUSMGNL-HNNXBMFYSA-N -1 0 311.382 0.650 10 0 DCAERM CCC[C@H](NC(=O)c1sc(S(N)(=O)=O)cc1C)C(=O)[O-] ZINC000263428305 662687392 /nfs/dbraw/zinc/68/73/92/662687392.db2.gz MQORUWNIMPYRNQ-ZETCQYMHSA-N -1 0 320.392 0.687 10 0 DCAERM COCCS(=O)(=O)N1CCC(n2cccc2C(=O)[O-])CC1 ZINC000054441743 662753403 /nfs/dbraw/zinc/75/34/03/662753403.db2.gz VKSBGZIRHMFISE-UHFFFAOYSA-N -1 0 316.379 0.799 10 0 DCAERM CO[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000230105128 664614775 /nfs/dbraw/zinc/61/47/75/664614775.db2.gz QCUQUAKKJIZDPN-VIFPVBQESA-N -1 0 311.718 0.857 10 0 DCAERM CC(=O)N1CSC[C@@H]1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000448996148 667266194 /nfs/dbraw/zinc/26/61/94/667266194.db2.gz RIVANIYBZJHRSN-MFKMUULPSA-N -1 0 302.396 0.913 10 0 DCAERM C[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)CCN1CCO ZINC000187678553 669948011 /nfs/dbraw/zinc/94/80/11/669948011.db2.gz HHUAZZJTOUSYCD-CQSZACIVSA-N -1 0 307.394 0.233 10 0 DCAERM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000716441312 670263647 /nfs/dbraw/zinc/26/36/47/670263647.db2.gz YIGFOFOWSFYBCV-IIRVCBMXSA-N -1 0 302.396 0.662 10 0 DCAERM N#Cc1cc(C(=O)[N-]S(=O)(=O)c2ncccc2F)ccn1 ZINC000193730813 670336932 /nfs/dbraw/zinc/33/69/32/670336932.db2.gz VBAOKLSTLAPMCY-UHFFFAOYSA-N -1 0 306.278 0.606 10 0 DCAERM CC(C)(C)OC(=O)N1CC(CC(=O)[O-])(N2CC[C@@H]2C(N)=O)C1 ZINC000757139862 670353887 /nfs/dbraw/zinc/35/38/87/670353887.db2.gz CSVNQMNZBVOVEE-SECBINFHSA-N -1 0 313.354 0.010 10 0 DCAERM Cc1cccc(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)c1 ZINC000195255416 670476414 /nfs/dbraw/zinc/47/64/14/670476414.db2.gz XGHNKPXJCQHXTK-UHFFFAOYSA-N -1 0 320.370 0.970 10 0 DCAERM O=C(c1n[n-]c2ccccc2c1=O)N1CCC[C@@H](n2cncn2)C1 ZINC000111613382 671270135 /nfs/dbraw/zinc/27/01/35/671270135.db2.gz VOLPDGOBPHLWQG-LLVKDONJSA-N -1 0 324.344 0.992 10 0 DCAERM C[C@@]1(C(=O)[O-])CCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000083735573 685085722 /nfs/dbraw/zinc/08/57/22/685085722.db2.gz HDIRJBXKRBHCSH-SKDRFNHKSA-N -1 0 321.420 0.372 10 0 DCAERM CC[C@@H](CNS(=O)(=O)c1ccc(C(=O)NC)cc1)C(=O)[O-] ZINC000087498375 685091554 /nfs/dbraw/zinc/09/15/54/685091554.db2.gz RLZQPNGRHMCAFP-VIFPVBQESA-N -1 0 314.363 0.435 10 0 DCAERM CO[C@H]([C@@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000384278086 685243838 /nfs/dbraw/zinc/24/38/38/685243838.db2.gz AXIPFERELWCJJA-RDDDGLTNSA-N -1 0 302.352 0.805 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc(NC(N)=O)c2)C1 ZINC000262219289 1157710208 /nfs/dbraw/zinc/71/02/08/1157710208.db2.gz ZLYJWDVBSUIVHH-GHMZBOCLSA-N -1 0 307.306 0.491 10 0 DCAERM C[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)(C)O ZINC000394023854 1157902332 /nfs/dbraw/zinc/90/23/32/1157902332.db2.gz YPCGUSNETRALQJ-ZETCQYMHSA-N -1 0 304.324 0.738 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000070310622 1173814253 /nfs/dbraw/zinc/81/42/53/1173814253.db2.gz LSELYSABPZTVHD-BDAKNGLRSA-N -1 0 309.409 0.276 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)OC[C@H]2CCCO2)C1 ZINC000262139304 1185162722 /nfs/dbraw/zinc/16/27/22/1185162722.db2.gz LQKHUMDPRDCWTG-DDHJBXDOSA-N -1 0 301.339 0.271 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cn3ccc(C)cc3n2)C1 ZINC000262115547 1185162867 /nfs/dbraw/zinc/16/28/67/1185162867.db2.gz HQXPIVSTBRKBOQ-JQWIXIFHSA-N -1 0 303.318 0.957 10 0 DCAERM O=C([O-])CC1(NC(=O)CCn2nc3ccccn3c2=O)CCC1 ZINC000262499442 1185167816 /nfs/dbraw/zinc/16/78/16/1185167816.db2.gz HYTYXHYXADXMDC-UHFFFAOYSA-N -1 0 318.333 0.400 10 0 DCAERM CC(C)c1ncc(C(=O)NCc2cn(CC(=O)[O-])nn2)s1 ZINC000262840720 1185173630 /nfs/dbraw/zinc/17/36/30/1185173630.db2.gz UMBBHJQORYVIFM-UHFFFAOYSA-N -1 0 309.351 0.873 10 0 DCAERM CO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC1CCCCC1)C(=O)[O-] ZINC000263061287 1185175737 /nfs/dbraw/zinc/17/57/37/1185175737.db2.gz HTERLEKPBXIHIH-PWSUYJOCSA-N -1 0 314.382 0.677 10 0 DCAERM CCCC[C@@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000184955550 1187217986 /nfs/dbraw/zinc/21/79/86/1187217986.db2.gz IEFPWZMJEYWMQI-LLVKDONJSA-N -1 0 320.349 0.646 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H]1CCCOC1 ZINC000689184289 954640752 /nfs/dbraw/zinc/64/07/52/954640752.db2.gz LGSOOWBMRLARQK-DCAQKATOSA-N -1 0 306.384 0.185 10 0 DCAERM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000687215631 976138207 /nfs/dbraw/zinc/13/82/07/976138207.db2.gz YFRSYNPWQYFMCR-DTORHVGOSA-N -1 0 316.404 0.913 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CCSC[C@@H]2CCO)c[nH]1 ZINC000689336973 976249513 /nfs/dbraw/zinc/24/95/13/976249513.db2.gz PIWKELMTJVGFDO-QMMMGPOBSA-N -1 0 320.392 0.201 10 0 DCAERM CC(=O)N1CCC(NC(=O)NCCSCC(=O)[O-])CC1 ZINC000689524585 976258564 /nfs/dbraw/zinc/25/85/64/976258564.db2.gz IKPUHHFYQYKVQC-UHFFFAOYSA-N -1 0 303.384 0.114 10 0 DCAERM CN(C[C@H](O)C1CC1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000690252178 976283139 /nfs/dbraw/zinc/28/31/39/976283139.db2.gz OPFHWQAAXMUZOC-QMMMGPOBSA-N -1 0 305.377 0.838 10 0 DCAERM O=C([O-])C[C@@H](CNS(=O)(=O)c1cccnc1F)C1CC1 ZINC000690514841 976313581 /nfs/dbraw/zinc/31/35/81/976313581.db2.gz LNZPVUFIVUVXEC-VIFPVBQESA-N -1 0 302.327 1.000 10 0 DCAERM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000692453625 976487901 /nfs/dbraw/zinc/48/79/01/976487901.db2.gz CRBFZXRIBPWPEE-NSHDSACASA-N -1 0 319.317 0.088 10 0 DCAERM Cn1cc(Br)c(C(=O)N[C@@H](C(=O)[O-])C2CC2)n1 ZINC000693066486 976586816 /nfs/dbraw/zinc/58/68/16/976586816.db2.gz UBJTZIUIHUMQQE-SSDOTTSWSA-N -1 0 302.128 0.776 10 0 DCAERM CS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC000693378659 976610727 /nfs/dbraw/zinc/61/07/27/976610727.db2.gz JSXHCXARAPBGOI-KXUCPTDWSA-N -1 0 304.368 0.068 10 0 DCAERM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCC2SCCS2)C1 ZINC000693777539 976655610 /nfs/dbraw/zinc/65/56/10/976655610.db2.gz RNYUGTQLQWOLHZ-RKDXNWHRSA-N -1 0 320.436 0.660 10 0 DCAERM Cn1ncc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1Cl ZINC000694127149 976668271 /nfs/dbraw/zinc/66/82/71/976668271.db2.gz YUNAJJBDMVQRIC-RQJHMYQMSA-N -1 0 302.718 0.373 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@H]2CC23CCOCC3)c1 ZINC000694179311 976676453 /nfs/dbraw/zinc/67/64/53/976676453.db2.gz XUQZRLVLRWBPGC-VIFPVBQESA-N -1 0 301.320 0.825 10 0 DCAERM O=C([O-])Cc1csc(NC(=O)[C@@H]2CCCS2(=O)=O)n1 ZINC000694632558 976705873 /nfs/dbraw/zinc/70/58/73/976705873.db2.gz CMTSDRZXBVIYQE-ZETCQYMHSA-N -1 0 304.349 0.286 10 0 DCAERM C[C@@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)S(C)(=O)=O ZINC000697578639 976849677 /nfs/dbraw/zinc/84/96/77/976849677.db2.gz BMBAOOCENQAEKT-QMMMGPOBSA-N -1 0 321.376 0.096 10 0 DCAERM COCC[C@H](NC(=O)c1nn(C)cc1Br)C(=O)[O-] ZINC000822052421 978927837 /nfs/dbraw/zinc/92/78/37/978927837.db2.gz BAXWYJFIMSDOHB-ZETCQYMHSA-N -1 0 320.143 0.402 10 0 DCAERM CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2ccncc2)[C@@H]1N ZINC000090624539 185307220 /nfs/dbraw/zinc/30/72/20/185307220.db2.gz ONSFXVYQSMKKRO-WOPDTQHZSA-N -1 0 307.350 0.766 10 0 DCAERM COC(=O)CCS(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171211 190937301 /nfs/dbraw/zinc/93/73/01/190937301.db2.gz YGNWPYOYBMYWGN-UHFFFAOYSA-N -1 0 301.320 0.998 10 0 DCAERM Cc1ccc(C(=O)N[C@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])o1 ZINC000005547650 181255466 /nfs/dbraw/zinc/25/54/66/181255466.db2.gz VJKGDEVIJQIDSB-SBMIAAHKSA-N -1 0 324.358 0.833 10 0 DCAERM CC[C@@H](C)[C@H](NC(=O)c1cnc2ccccn2c1=O)C(=O)[O-] ZINC000236862975 202041651 /nfs/dbraw/zinc/04/16/51/202041651.db2.gz HNTOGZJLMMHBEN-SKDRFNHKSA-N -1 0 303.318 0.924 10 0 DCAERM CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000262540400 290555666 /nfs/dbraw/zinc/55/56/66/290555666.db2.gz QZLNCMKCWWDHRA-GFCCVEGCSA-N -1 0 304.346 0.912 10 0 DCAERM CN1CC[C@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CC1=O ZINC000180247219 199136202 /nfs/dbraw/zinc/13/62/02/199136202.db2.gz VZOPBKKGLMEQIG-LBPRGKRZSA-N -1 0 304.346 0.912 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)O2)nc1C ZINC000180199727 237253219 /nfs/dbraw/zinc/25/32/19/237253219.db2.gz QXBLYRUHYVPOEB-SCZZXKLOSA-N -1 0 301.368 0.584 10 0 DCAERM O=C(CSc1n[nH]c(=O)[n-]1)Nc1ncn(C2CCCCC2)n1 ZINC000287824949 219748552 /nfs/dbraw/zinc/74/85/52/219748552.db2.gz MPEOBWODYBFIBY-UHFFFAOYSA-N -1 0 323.382 0.926 10 0 DCAERM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)N1CCS(=O)(=O)CC1 ZINC000165396443 291248197 /nfs/dbraw/zinc/24/81/97/291248197.db2.gz SCMFOCHWYZPIPK-JOYOIKCWSA-N -1 0 304.368 0.070 10 0 DCAERM Cc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000167255278 291248923 /nfs/dbraw/zinc/24/89/23/291248923.db2.gz QSLUCACQVLITGK-UHFFFAOYSA-N -1 0 310.335 0.150 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000312905220 291252658 /nfs/dbraw/zinc/25/26/58/291252658.db2.gz SYVOGQGZKWHXCP-VHSXEESVSA-N -1 0 301.368 0.634 10 0 DCAERM COC(=O)[C@@H]1CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C1 ZINC000095018727 291399308 /nfs/dbraw/zinc/39/93/08/291399308.db2.gz MEBJOQJNFPYTDQ-MNOVXSKESA-N -1 0 300.355 0.938 10 0 DCAERM CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263448357 203469242 /nfs/dbraw/zinc/46/92/42/203469242.db2.gz NRVAQNWSYAIICE-STQMWFEESA-N -1 0 304.346 0.619 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)NC2CCC(O)CC2)ccc1O ZINC000020000725 182176220 /nfs/dbraw/zinc/17/62/20/182176220.db2.gz SQDABIQQSBQNPM-UHFFFAOYSA-N -1 0 315.347 0.672 10 0 DCAERM NC(=O)NC(=O)COc1ccc(Br)cc1C(=O)[O-] ZINC000020304026 182204589 /nfs/dbraw/zinc/20/45/89/182204589.db2.gz GKOCGEXONXAIJI-UHFFFAOYSA-N -1 0 317.095 0.721 10 0 DCAERM CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000022159838 182311445 /nfs/dbraw/zinc/31/14/45/182311445.db2.gz QIFFHSJRJRSLRD-QMMMGPOBSA-N -1 0 317.367 0.248 10 0 DCAERM CO[C@@H](C)c1nc(=NC(=O)c2cccc3ncnn32)s[n-]1 ZINC000572987516 291604051 /nfs/dbraw/zinc/60/40/51/291604051.db2.gz UOXRSSRMILFSTC-ZETCQYMHSA-N -1 0 304.335 0.962 10 0 DCAERM CCCS(=O)(=O)CC(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000262262224 220466127 /nfs/dbraw/zinc/46/61/27/220466127.db2.gz ZASWQQIDQADXLZ-UHFFFAOYSA-N -1 0 305.396 0.961 10 0 DCAERM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@]1(C)CCCO1 ZINC000262261288 220467423 /nfs/dbraw/zinc/46/74/23/220467423.db2.gz WUMHMQJHLWNYDO-ABAIWWIYSA-N -1 0 312.366 0.337 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000013028570 395688464 /nfs/dbraw/zinc/68/84/64/395688464.db2.gz WMYUNHVEEFNNDA-AAEUAGOBSA-N -1 0 311.359 0.384 10 0 DCAERM O=C([O-])c1nn(CC(=O)N2CCCC2)c(=O)c2ccccc21 ZINC000003270616 395682443 /nfs/dbraw/zinc/68/24/43/395682443.db2.gz AJPPVFVINQRYOT-UHFFFAOYSA-N -1 0 301.302 0.717 10 0 DCAERM CN1c2ccc(S(=O)(=O)NCC(=O)[O-])cc2C(C)(C)C1=O ZINC000032917558 395714584 /nfs/dbraw/zinc/71/45/84/395714584.db2.gz HMVIMTLQBTUOPT-UHFFFAOYSA-N -1 0 312.347 0.304 10 0 DCAERM CCOC(=O)CCS(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090933007 395720020 /nfs/dbraw/zinc/72/00/20/395720020.db2.gz MBHVMKCKAYRDKC-UHFFFAOYSA-N -1 0 322.364 0.214 10 0 DCAERM CN(CCCC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000036967220 395725254 /nfs/dbraw/zinc/72/52/54/395725254.db2.gz OOWPMODCWABETL-UHFFFAOYSA-N -1 0 312.347 0.667 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000092890154 395733793 /nfs/dbraw/zinc/73/37/93/395733793.db2.gz DCISIEWYBZJRDI-NXEZZACHSA-N -1 0 301.368 0.825 10 0 DCAERM CSc1nn(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000194577564 395800592 /nfs/dbraw/zinc/80/05/92/395800592.db2.gz ASIRYSGDDFMZPO-VHSXEESVSA-N -1 0 312.395 0.463 10 0 DCAERM CCc1cnc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])s1 ZINC000234240772 395888359 /nfs/dbraw/zinc/88/83/59/395888359.db2.gz ZBQQNXARNXRNRH-UHFFFAOYSA-N -1 0 316.364 0.605 10 0 DCAERM CC(C)CN(CC(=O)[O-])C(=O)CCn1nc2ccccn2c1=O ZINC000236660923 395896361 /nfs/dbraw/zinc/89/63/61/395896361.db2.gz PIADQUOHVGYZLC-UHFFFAOYSA-N -1 0 320.349 0.455 10 0 DCAERM C[C@H](CCCNS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000227865789 395869998 /nfs/dbraw/zinc/86/99/98/395869998.db2.gz YOLCMHAMPWCXEU-SSDOTTSWSA-N -1 0 309.775 0.853 10 0 DCAERM CC(C)(C)CCS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000230012481 395877523 /nfs/dbraw/zinc/87/75/23/395877523.db2.gz CHKJVFMRGHMPMY-JTQLQIEISA-N -1 0 303.384 0.761 10 0 DCAERM O=C([N-]OC[C@H]1CCOC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000248978828 396001048 /nfs/dbraw/zinc/00/10/48/396001048.db2.gz UVVUYWAIPPZLDM-HOTGVXAUSA-N -1 0 320.389 0.972 10 0 DCAERM CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CCC(=O)[O-])o1 ZINC000262079285 396097429 /nfs/dbraw/zinc/09/74/29/396097429.db2.gz AVLSRWMTGCHLJU-SSDOTTSWSA-N -1 0 304.324 0.171 10 0 DCAERM C[C@@H](NC(=O)CCNC(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000262407614 396136401 /nfs/dbraw/zinc/13/64/01/396136401.db2.gz BWPHDKBGQTTZHA-LLVKDONJSA-N -1 0 307.350 0.807 10 0 DCAERM COC[C@@H](C)Nc1nc[n-]c(=O)c1I ZINC000162616917 396082455 /nfs/dbraw/zinc/08/24/55/396082455.db2.gz DWCJNCRHXGOYPV-RXMQYKEDSA-N -1 0 309.107 0.821 10 0 DCAERM CN1C[C@@H](C(=O)NCCc2ccc(OCC(=O)[O-])cc2)CC1=O ZINC000262842440 396187098 /nfs/dbraw/zinc/18/70/98/396187098.db2.gz UCUZELCKNQKKKB-LBPRGKRZSA-N -1 0 320.345 0.287 10 0 DCAERM CNC(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cn1 ZINC000262954042 396193656 /nfs/dbraw/zinc/19/36/56/396193656.db2.gz NALSCWFBCQPIOU-ZDUSSCGKSA-N -1 0 309.347 0.131 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263312740 396213355 /nfs/dbraw/zinc/21/33/55/396213355.db2.gz IFVBJRNTVWYPET-OUAUKWLOSA-N -1 0 314.407 0.867 10 0 DCAERM CCN1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1=O ZINC000190542078 396407893 /nfs/dbraw/zinc/40/78/93/396407893.db2.gz KFHVQTVYDBMWQQ-UHFFFAOYSA-N -1 0 318.308 0.979 10 0 DCAERM CCCCN(C)S(=O)(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630431278 397019750 /nfs/dbraw/zinc/01/97/50/397019750.db2.gz CUEZQCSYPMNXKG-LBPRGKRZSA-N -1 0 308.400 0.434 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCOCC(F)(F)C2)N1C1CC1 ZINC000630668335 397076281 /nfs/dbraw/zinc/07/62/81/397076281.db2.gz DULHDDYLXGNGJW-MNOVXSKESA-N -1 0 318.320 0.561 10 0 DCAERM COCCCS(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F ZINC000380472571 397269638 /nfs/dbraw/zinc/26/96/38/397269638.db2.gz UKJOBLQRQWGASW-MRVPVSSYSA-N -1 0 321.317 0.986 10 0 DCAERM C[S@@](=O)C1(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCC1 ZINC000393726396 397307143 /nfs/dbraw/zinc/30/71/43/397307143.db2.gz CXFYPOJLMULOKS-DCLVOVMVSA-N -1 0 302.396 0.840 10 0 DCAERM CCS(=O)(=O)CC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262142883 286595449 /nfs/dbraw/zinc/59/54/49/286595449.db2.gz IRHXHVSLYBILEY-SECBINFHSA-N -1 0 309.384 0.196 10 0 DCAERM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cnc2ccccn2c1=O ZINC000262120938 158774904 /nfs/dbraw/zinc/77/49/04/158774904.db2.gz PMVAYBWQXYZTSY-OAHLLOKOSA-N -1 0 319.317 0.304 10 0 DCAERM O=C1CC[C@@H]([N-]S(=O)(=O)CC(F)(F)F)[C@H](C2CC2)N1 ZINC000408017445 160011763 /nfs/dbraw/zinc/01/17/63/160011763.db2.gz RZFRSELMPAEUKD-APPZFPTMSA-N -1 0 300.302 0.525 10 0 DCAERM CC[C@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408172756 160052708 /nfs/dbraw/zinc/05/27/08/160052708.db2.gz AANWAMADUSYABG-TVQRCGJNSA-N -1 0 313.379 0.907 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)O1 ZINC000408318600 160083756 /nfs/dbraw/zinc/08/37/56/160083756.db2.gz DOGXVIQGWJYBFJ-RITPCOANSA-N -1 0 306.369 0.416 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000408450989 160111320 /nfs/dbraw/zinc/11/13/20/160111320.db2.gz KREBEODYPJBMBD-ZDUSSCGKSA-N -1 0 318.439 0.733 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cccc2c1CC(=O)CC2 ZINC000408474273 160116265 /nfs/dbraw/zinc/11/62/65/160116265.db2.gz NQRGRAMFKRBERO-LBPRGKRZSA-N -1 0 323.370 0.593 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1cc2c(s1)CCOC2 ZINC000408480462 160117892 /nfs/dbraw/zinc/11/78/92/160117892.db2.gz WQGIFLBVFLIARN-UHFFFAOYSA-N -1 0 303.361 0.279 10 0 DCAERM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)s1 ZINC000408484623 160118283 /nfs/dbraw/zinc/11/82/83/160118283.db2.gz OEKXVKVFYVAWSQ-SFGNSQDASA-N -1 0 302.377 0.681 10 0 DCAERM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@@H]1CCc2n[nH]cc2C1 ZINC000408489054 160119129 /nfs/dbraw/zinc/11/91/29/160119129.db2.gz PGMBNVFXFNABIB-KOLCDFICSA-N -1 0 313.379 0.140 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2OCC[C@@H]2C)nc1C ZINC000408495232 160119651 /nfs/dbraw/zinc/11/96/51/160119651.db2.gz ODCPXSSXIOEALR-GZMMTYOYSA-N -1 0 301.368 0.441 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc2ccncc2n1 ZINC000408503294 160120459 /nfs/dbraw/zinc/12/04/59/160120459.db2.gz VNEGYWXEDHCWLY-LLVKDONJSA-N -1 0 321.358 0.868 10 0 DCAERM CC[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-] ZINC000147323275 287030149 /nfs/dbraw/zinc/03/01/49/287030149.db2.gz JLEDYFTWKJKDNW-AXFHLTTASA-N -1 0 308.400 0.431 10 0 DCAERM O=C([O-])[C@@H]1CCCC[C@@H]1CNS(=O)(=O)C[C@H]1CCCO1 ZINC000251284341 685185460 /nfs/dbraw/zinc/18/54/60/685185460.db2.gz MZGGZEKGYNYVNL-IJLUTSLNSA-N -1 0 305.396 0.976 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000037377274 415190850 /nfs/dbraw/zinc/19/08/50/415190850.db2.gz MAKJQLVBBXUYIL-PSASIEDQSA-N -1 0 321.301 0.827 10 0 DCAERM CCCc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)[nH]n1 ZINC000126457472 415876210 /nfs/dbraw/zinc/87/62/10/415876210.db2.gz KNNIGMKGSLQJKI-UHFFFAOYSA-N -1 0 311.367 0.600 10 0 DCAERM O=C([O-])C1(CNS(=O)(=O)c2ccccc2F)CCOCC1 ZINC000165952409 416020540 /nfs/dbraw/zinc/02/05/40/416020540.db2.gz SVASXWVSAQCWJA-UHFFFAOYSA-N -1 0 317.338 0.985 10 0 DCAERM COC(=O)c1ccccc1CCC(=O)NC1(c2nnn[n-]2)CC1 ZINC000357044130 416025060 /nfs/dbraw/zinc/02/50/60/416025060.db2.gz IFPOISLXUOIULI-UHFFFAOYSA-N -1 0 315.333 0.724 10 0 DCAERM Cc1nc(-c2ccc(C(=O)NC3(c4nnn[n-]4)CC3)cc2)n[nH]1 ZINC000357059194 416027190 /nfs/dbraw/zinc/02/71/90/416027190.db2.gz SSGWBYRJGUFFTH-UHFFFAOYSA-N -1 0 310.321 0.712 10 0 DCAERM Cn1ncc2c1[n-]cc(C(=O)N1CCN3CCCC[C@@H]3C1)c2=O ZINC000179459291 416188390 /nfs/dbraw/zinc/18/83/90/416188390.db2.gz KKXQPQPEHVVUNZ-LLVKDONJSA-N -1 0 315.377 0.984 10 0 DCAERM Cc1nc(C)c(S(=O)(=O)NC[C@]2(CCO)CCOC2)s1 ZINC000179935439 416194537 /nfs/dbraw/zinc/19/45/37/416194537.db2.gz BBGSAGZBKLYLEV-LBPRGKRZSA-N -1 0 320.436 0.827 10 0 DCAERM CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000192599912 416308864 /nfs/dbraw/zinc/30/88/64/416308864.db2.gz PHNMSARRZDIWAR-AWEZNQCLSA-N -1 0 317.389 0.771 10 0 DCAERM O=C(CCNC(=O)c1c([O-])cc(F)cc1F)N1CCOCC1 ZINC000195292539 416325928 /nfs/dbraw/zinc/32/59/28/416325928.db2.gz TWEZNKSOZBNWEQ-UHFFFAOYSA-N -1 0 314.288 0.649 10 0 DCAERM CCC(=O)c1ccc([O-])c(NC(=O)CN2CCOCC2=O)c1 ZINC000436661112 416565244 /nfs/dbraw/zinc/56/52/44/416565244.db2.gz XAKJEDBYIQQZGO-UHFFFAOYSA-N -1 0 306.318 0.782 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000368652987 416679343 /nfs/dbraw/zinc/67/93/43/416679343.db2.gz PEFFWKQBSDAQCI-CMPLNLGQSA-N -1 0 320.411 0.418 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)Cc2ccc3c(c2)COC3)n[n-]1 ZINC000542688448 416626976 /nfs/dbraw/zinc/62/69/76/416626976.db2.gz HZCWDRXTTJHQNO-UHFFFAOYSA-N -1 0 322.346 0.420 10 0 DCAERM C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-] ZINC000517187451 416785570 /nfs/dbraw/zinc/78/55/70/416785570.db2.gz IXZLXAUIGXBKJK-AXFHLTTASA-N -1 0 322.427 0.962 10 0 DCAERM C[C@](O)(CNC(=O)c1nscc1Br)C(=O)[O-] ZINC000404955653 417121025 /nfs/dbraw/zinc/12/10/25/417121025.db2.gz ROXIDXHQSCSBNU-QMMMGPOBSA-N -1 0 309.141 0.471 10 0 DCAERM CS(=O)(=O)c1nnc(NC(=O)c2cc3c([nH]2)CCCC3)[n-]1 ZINC000449837444 417180873 /nfs/dbraw/zinc/18/08/73/417180873.db2.gz YODCIVPSTDYMAH-UHFFFAOYSA-N -1 0 309.351 0.667 10 0 DCAERM CN(Cc1ccccc1)C(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC000643972691 417429632 /nfs/dbraw/zinc/42/96/32/417429632.db2.gz XFOMXMGEGHAMPT-GFCCVEGCSA-N -1 0 315.333 0.799 10 0 DCAERM CCN(CC)S(=O)(=O)CC(=O)NCC1(C(=O)[O-])CCC1 ZINC000531751867 417638107 /nfs/dbraw/zinc/63/81/07/417638107.db2.gz WMJIJGWLBHELJP-UHFFFAOYSA-N -1 0 306.384 0.029 10 0 DCAERM CO[C@H]1C[C@@H](CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000629346979 417784546 /nfs/dbraw/zinc/78/45/46/417784546.db2.gz ZLJDXTRRODYORT-GARJFASQSA-N -1 0 306.384 0.042 10 0 DCAERM C[C@@H]1CN(C(=O)c2nn(C)cc2Br)C[C@H]1C(=O)[O-] ZINC000663054672 417983742 /nfs/dbraw/zinc/98/37/42/417983742.db2.gz PWWLXDVHCRHWHI-RNFRBKRXSA-N -1 0 316.155 0.975 10 0 DCAERM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262071914 287613903 /nfs/dbraw/zinc/61/39/03/287613903.db2.gz JZWJOZKHGUHYHZ-VLEAKVRGSA-N -1 0 314.407 0.913 10 0 DCAERM COC(=O)COc1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357069408 261501835 /nfs/dbraw/zinc/50/18/35/261501835.db2.gz BNBAUQLVHRVYPV-UHFFFAOYSA-N -1 0 317.305 0.171 10 0 DCAERM CC(C)(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262736730 278478022 /nfs/dbraw/zinc/47/80/22/278478022.db2.gz HUMZBBZXQPJPOG-KOLCDFICSA-N -1 0 321.395 0.196 10 0 DCAERM CCCSC[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-] ZINC000548248035 288125017 /nfs/dbraw/zinc/12/50/17/288125017.db2.gz HDPLKXDTWUUWIZ-VHSXEESVSA-N -1 0 310.441 0.902 10 0 DCAERM CCN(CC)S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000551911990 288244202 /nfs/dbraw/zinc/24/42/02/288244202.db2.gz DWUFYBSBOLWNOC-QMMMGPOBSA-N -1 0 300.327 0.615 10 0 DCAERM CN(Cc1ccccc1)C(=O)NCCC(=O)NC1(C(=O)[O-])CC1 ZINC000263186099 289759896 /nfs/dbraw/zinc/75/98/96/289759896.db2.gz WUOPCXFNIWYMTG-UHFFFAOYSA-N -1 0 319.361 0.952 10 0 DCAERM CO[C@H](CS(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1ccccc1 ZINC000263474469 294464110 /nfs/dbraw/zinc/46/41/10/294464110.db2.gz IVNCCWJKSPKEGO-DGCLKSJQSA-N -1 0 317.363 0.129 10 0 DCAERM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000408478074 303253896 /nfs/dbraw/zinc/25/38/96/303253896.db2.gz PQUWHOFWTNASNE-NKWVEPMBSA-N -1 0 316.301 0.286 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000583379334 332374364 /nfs/dbraw/zinc/37/43/64/332374364.db2.gz QLKXPCQCXGDJKR-SDDRHHMPSA-N -1 0 320.411 0.670 10 0 DCAERM C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000547584730 341222591 /nfs/dbraw/zinc/22/25/91/341222591.db2.gz LYYQZZLUAUYOFG-UHFFFAOYSA-N -1 0 317.319 0.636 10 0 DCAERM Cc1ccc(S([O-])=CC(=O)N2CCC[C@@H](C(N)=O)C2)nc1 ZINC000157099522 526091129 /nfs/dbraw/zinc/09/11/29/526091129.db2.gz WNBZBMRYSPEKAY-FIKIJFGZSA-N -1 0 309.391 0.222 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000092890213 545724283 /nfs/dbraw/zinc/72/42/83/545724283.db2.gz QGIATLHTECFLMC-JTQLQIEISA-N -1 0 301.368 0.921 10 0 DCAERM C[C@@H]1OCC[C@H]1Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000149926779 545810726 /nfs/dbraw/zinc/81/07/26/545810726.db2.gz PIQXUWSXAQYWGL-OIBJUYFYSA-N -1 0 300.336 0.622 10 0 DCAERM COc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H]2C)cc1C(=O)[O-] ZINC000149336463 545811797 /nfs/dbraw/zinc/81/17/97/545811797.db2.gz FYADLQUNDSCVNE-KCJUWKMLSA-N -1 0 315.347 0.849 10 0 DCAERM O=C([O-])C1(CNC(=O)NC[C@@H]2CCCS2(=O)=O)CCC1 ZINC000166793876 545877582 /nfs/dbraw/zinc/87/75/82/545877582.db2.gz FTZDBIRXFQUNBN-VIFPVBQESA-N -1 0 304.368 0.118 10 0 DCAERM C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)CS2 ZINC000162187293 658078566 /nfs/dbraw/zinc/07/85/66/658078566.db2.gz KCHGPYIZNUGVHF-GPCCPHFNSA-N -1 0 312.391 0.764 10 0 DCAERM C[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000190393300 658141609 /nfs/dbraw/zinc/14/16/09/658141609.db2.gz NYZBASWWRAJPIH-DTWKUNHWSA-N -1 0 302.327 0.841 10 0 DCAERM CCC[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000040543572 658798662 /nfs/dbraw/zinc/79/86/62/658798662.db2.gz QIUHKMXTTWIBEM-JTQLQIEISA-N -1 0 315.351 0.709 10 0 DCAERM Cn1nnc(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])n1 ZINC000236139313 658818791 /nfs/dbraw/zinc/81/87/91/658818791.db2.gz NAPGOFYUYHPGHR-JTQLQIEISA-N -1 0 305.294 0.132 10 0 DCAERM Cc1nc(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cs1 ZINC000180217511 658961212 /nfs/dbraw/zinc/96/12/12/658961212.db2.gz RUXZEPHZINAFGM-JTQLQIEISA-N -1 0 304.393 0.619 10 0 DCAERM Cc1ncc(S(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)s1 ZINC000721680907 659243344 /nfs/dbraw/zinc/24/33/44/659243344.db2.gz UDFUWDMPZCQDHJ-KHQFGBGNSA-N -1 0 302.377 0.793 10 0 DCAERM Cc1nc([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)sc1C(=O)[O-] ZINC000262572967 662490955 /nfs/dbraw/zinc/49/09/55/662490955.db2.gz NLBWVORGSVOWJT-SSDOTTSWSA-N -1 0 322.346 0.734 10 0 DCAERM COC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262957976 662605898 /nfs/dbraw/zinc/60/58/98/662605898.db2.gz LTVWRUKSUJMMRD-WOPDTQHZSA-N -1 0 321.329 0.777 10 0 DCAERM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000263225529 662660014 /nfs/dbraw/zinc/66/00/14/662660014.db2.gz ZYVBPUYJWJGAQH-OLZOCXBDSA-N -1 0 304.346 0.715 10 0 DCAERM Cc1nc(C)n(C[C@H]2CN(c3cccc(C(=O)[O-])n3)CCO2)n1 ZINC000263437213 662688235 /nfs/dbraw/zinc/68/82/35/662688235.db2.gz VQQDCQMWRICZBJ-GFCCVEGCSA-N -1 0 317.349 0.894 10 0 DCAERM C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000149322144 663671600 /nfs/dbraw/zinc/67/16/00/663671600.db2.gz COKYABCPHDPTBD-HQJQHLMTSA-N -1 0 303.311 0.980 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N(C)C2CCCCC2)C1 ZINC000221744747 664360526 /nfs/dbraw/zinc/36/05/26/664360526.db2.gz HVPLCSJJSODUIS-RYUDHWBXSA-N -1 0 320.411 0.670 10 0 DCAERM COCC1=CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000165136109 664403758 /nfs/dbraw/zinc/40/37/58/664403758.db2.gz QVVAFIYDNVQOQE-UHFFFAOYSA-N -1 0 300.336 0.680 10 0 DCAERM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)[C@H]1CNC(=O)C1 ZINC000171498763 664609141 /nfs/dbraw/zinc/60/91/41/664609141.db2.gz RFUSONZVVBGYNW-GFCCVEGCSA-N -1 0 320.370 0.556 10 0 DCAERM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000171565452 664610071 /nfs/dbraw/zinc/61/00/71/664610071.db2.gz UBUIJMIWYXPJDP-CQSZACIVSA-N -1 0 324.402 0.891 10 0 DCAERM CCCN(C)S(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCC2 ZINC000153823448 665058036 /nfs/dbraw/zinc/05/80/36/665058036.db2.gz UTOVCSWDVVCPBG-UHFFFAOYSA-N -1 0 300.384 0.605 10 0 DCAERM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000184151120 666186204 /nfs/dbraw/zinc/18/62/04/666186204.db2.gz AELMBBDUTBSXOM-UHFFFAOYSA-N -1 0 312.391 0.970 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC[C@@H]1CCSC1 ZINC000704872978 667264195 /nfs/dbraw/zinc/26/41/95/667264195.db2.gz YCDWCHQIIYOMLQ-ZJUUUORDSA-N -1 0 308.425 0.513 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000705909013 667392413 /nfs/dbraw/zinc/39/24/13/667392413.db2.gz ALEDSSFGZZKWDX-GFCCVEGCSA-N -1 0 303.311 0.690 10 0 DCAERM O=C([O-])c1ccnc(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000711542026 667488269 /nfs/dbraw/zinc/48/82/69/667488269.db2.gz LOZYKQCOWISFDF-AOOOYVTPSA-N -1 0 314.388 0.763 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)O1 ZINC000124057478 667891781 /nfs/dbraw/zinc/89/17/81/667891781.db2.gz YXGVKROPLPBQFN-BXUZGUMPSA-N -1 0 324.402 0.973 10 0 DCAERM COCCCCS(=O)(=O)[N-]C(=O)c1cn2ccnc2s1 ZINC000190852715 669936248 /nfs/dbraw/zinc/93/62/48/669936248.db2.gz UIBFBEOZYPWOJZ-UHFFFAOYSA-N -1 0 317.392 0.882 10 0 DCAERM C[C@@H]1CCCCN1S(=O)(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000712939932 670150818 /nfs/dbraw/zinc/15/08/18/670150818.db2.gz AOFWXUCZBDYGKA-LSCVPOLPSA-N -1 0 302.396 0.949 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@@H]1C ZINC000195253590 670476350 /nfs/dbraw/zinc/47/63/50/670476350.db2.gz ZSYRSWDTNLLXGV-XVKPBYJWSA-N -1 0 302.352 0.769 10 0 DCAERM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCc1cnn(C)n1 ZINC000389831932 685258357 /nfs/dbraw/zinc/25/83/57/685258357.db2.gz HZBIJQVHQMFELE-UHFFFAOYSA-N -1 0 316.364 0.362 10 0 DCAERM CO[C@@]1(CNC(=O)C2(C(=O)[O-])CCOCC2)CCSC1 ZINC000719269044 685309481 /nfs/dbraw/zinc/30/94/81/685309481.db2.gz LQQLFEGHVAMPOF-GFCCVEGCSA-N -1 0 303.380 0.506 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)CCn1nc2ccccn2c1=O ZINC000237504570 1181007013 /nfs/dbraw/zinc/00/70/13/1181007013.db2.gz ZOYWDSPAUSYOIX-JTQLQIEISA-N -1 0 306.322 0.256 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCNC(=O)c2ccco2)C1 ZINC000261641692 1184605348 /nfs/dbraw/zinc/60/53/48/1184605348.db2.gz ITRFXQSBSKZBMM-ZJUUUORDSA-N -1 0 310.306 0.100 10 0 DCAERM CCOc1ccc(CC(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000261934535 1185158834 /nfs/dbraw/zinc/15/88/34/1185158834.db2.gz TWXNQTUWGHQSSB-UHFFFAOYSA-N -1 0 318.333 0.620 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC000262136779 1185162492 /nfs/dbraw/zinc/16/24/92/1185162492.db2.gz LJKFMTUYVMMPKG-WCQGTBRESA-N -1 0 312.366 0.382 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC000262132862 1185162738 /nfs/dbraw/zinc/16/27/38/1185162738.db2.gz KPIORIHMWBTFRW-GGZOMVNGSA-N -1 0 309.366 0.841 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCc2nc(C(C)C)no2)C1 ZINC000262142153 1185162770 /nfs/dbraw/zinc/16/27/70/1185162770.db2.gz MESHSFGZRYVYDG-VHSXEESVSA-N -1 0 311.338 0.826 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC000262407168 1185166907 /nfs/dbraw/zinc/16/69/07/1185166907.db2.gz CUSLARCJVPSFKW-UWVGGRQHSA-N -1 0 319.321 0.055 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000262554235 1185170290 /nfs/dbraw/zinc/17/02/90/1185170290.db2.gz SZYRVPRWEOIFBJ-ONGXEEELSA-N -1 0 320.301 0.332 10 0 DCAERM CO[C@H](CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000262906803 1185174219 /nfs/dbraw/zinc/17/42/19/1185174219.db2.gz RIJBRALVPFWQEF-LLVKDONJSA-N -1 0 322.296 0.544 10 0 DCAERM CO[C@H](CNC(=O)c1ccccc1-c1nc(C)no1)C(=O)[O-] ZINC000263149261 1185176391 /nfs/dbraw/zinc/17/63/91/1185176391.db2.gz WTZUIQFNTTXRAN-LLVKDONJSA-N -1 0 305.290 0.874 10 0 DCAERM CO[C@@H](CNC(=O)c1ccccc1-c1nc(C)no1)C(=O)[O-] ZINC000263149265 1185176957 /nfs/dbraw/zinc/17/69/57/1185176957.db2.gz WTZUIQFNTTXRAN-NSHDSACASA-N -1 0 305.290 0.874 10 0 DCAERM COc1ccc(OC)c(CC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000263290748 1185178014 /nfs/dbraw/zinc/17/80/14/1185178014.db2.gz QXMHGOGCWRBFDJ-QWHCGFSZSA-N -1 0 323.345 0.947 10 0 DCAERM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC000263467517 1185178711 /nfs/dbraw/zinc/17/87/11/1185178711.db2.gz GOUSVQPNPQLOAQ-VHSXEESVSA-N -1 0 307.368 0.453 10 0 DCAERM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCCOC1 ZINC000689184291 954640475 /nfs/dbraw/zinc/64/04/75/954640475.db2.gz LGSOOWBMRLARQK-MXWKQRLJSA-N -1 0 306.384 0.185 10 0 DCAERM CC(C)OCC(C)(C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689236290 954648453 /nfs/dbraw/zinc/64/84/53/954648453.db2.gz YFZGNLOSPAMCSL-JTQLQIEISA-N -1 0 308.400 0.573 10 0 DCAERM CN(C)c1nnc(S[C@@H]2CCN(CC(=O)[O-])C2=O)s1 ZINC000694868222 954799263 /nfs/dbraw/zinc/79/92/63/954799263.db2.gz SCJPLGYXHAPYGA-ZCFIWIBFSA-N -1 0 302.381 0.382 10 0 DCAERM C[C@@H]1C[C@@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C)O1 ZINC000686346117 976106245 /nfs/dbraw/zinc/10/62/45/976106245.db2.gz AXFDMZXUMLLHBL-PRJMDXOYSA-N -1 0 303.340 0.200 10 0 DCAERM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000687210301 976138441 /nfs/dbraw/zinc/13/84/41/976138441.db2.gz DRASJRGARQRVDL-DTORHVGOSA-N -1 0 300.336 0.445 10 0 DCAERM CO[C@H](C)CN(C(C)C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000688071875 976165433 /nfs/dbraw/zinc/16/54/33/976165433.db2.gz MOGIHQYSUYKPGY-MRVPVSSYSA-N -1 0 305.356 0.542 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@H]2COC3(CCC3)C2)c1 ZINC000688310974 976175282 /nfs/dbraw/zinc/17/52/82/976175282.db2.gz ISNSOLTXGOXOSZ-SECBINFHSA-N -1 0 301.320 0.968 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)c1cccc(C(=O)[O-])n1 ZINC000688526564 976183164 /nfs/dbraw/zinc/18/31/64/976183164.db2.gz HNHJIRATHAOHKF-UHFFFAOYSA-N -1 0 300.336 0.287 10 0 DCAERM Cc1oc(C(=O)[O-])cc1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000689112529 976225980 /nfs/dbraw/zinc/22/59/80/976225980.db2.gz LPJBHBKQMFKFBT-MRVPVSSYSA-N -1 0 301.320 0.593 10 0 DCAERM C[C@H](O)CN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000691511172 976359288 /nfs/dbraw/zinc/35/92/88/976359288.db2.gz IBYMURLOLVOBRP-ZETCQYMHSA-N -1 0 305.377 0.980 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCNC2=O)ccc1Cl ZINC000693917568 976658897 /nfs/dbraw/zinc/65/88/97/976658897.db2.gz HVQKAYXLLMXGEX-VIFPVBQESA-N -1 0 318.738 0.205 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NCCN2CCCCC2)c1 ZINC000694172560 976674906 /nfs/dbraw/zinc/67/49/06/976674906.db2.gz MYOKIMJVCYOLOZ-UHFFFAOYSA-N -1 0 302.352 0.742 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NCCN2CC=CCC2)c1 ZINC000694174693 976676107 /nfs/dbraw/zinc/67/61/07/976676107.db2.gz PLVFHRKWISFPSS-UHFFFAOYSA-N -1 0 300.336 0.518 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)c1 ZINC000694183876 976677767 /nfs/dbraw/zinc/67/77/67/976677767.db2.gz SDZBNMISMJZYPT-SCZZXKLOSA-N -1 0 303.336 0.807 10 0 DCAERM CCN(CCC(=O)OC)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694485098 976694849 /nfs/dbraw/zinc/69/48/49/976694849.db2.gz FSOGOUDGMIHERH-UHFFFAOYSA-N -1 0 305.308 0.552 10 0 DCAERM C[C@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)S(C)(=O)=O ZINC000697578638 976849978 /nfs/dbraw/zinc/84/99/78/976849978.db2.gz BMBAOOCENQAEKT-MRVPVSSYSA-N -1 0 321.376 0.096 10 0 DCAERM C[C@H](CNC(=O)NC[C@H](CC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000697601306 976853385 /nfs/dbraw/zinc/85/33/85/976853385.db2.gz ZFNWAJPPMLAMMX-SCZZXKLOSA-N -1 0 306.384 0.220 10 0 DCAERM O=C([O-])CN(CC1CC1)C(=O)c1sccc1-n1cnnn1 ZINC000036884788 545645927 /nfs/dbraw/zinc/64/59/27/545645927.db2.gz YHPCWSJDESGRBB-UHFFFAOYSA-N -1 0 307.335 0.661 10 0 DCAERM O=C([O-])c1nn(CC(=O)N2CCCC2=O)c(=O)c2ccccc21 ZINC000003510277 181028164 /nfs/dbraw/zinc/02/81/64/181028164.db2.gz VTIGEENDUGJAKG-UHFFFAOYSA-N -1 0 315.285 0.244 10 0 DCAERM CCOc1ccc(CCNC(=O)Cc2nnn[n-]2)cc1OCC ZINC000004928159 181174598 /nfs/dbraw/zinc/17/45/98/181174598.db2.gz OBODKNFPJUZOIA-UHFFFAOYSA-N -1 0 319.365 0.899 10 0 DCAERM Cc1cc(C)n(-c2nc(C)c(C)c3nn(CC(=O)[O-])c(=O)n32)n1 ZINC000073695292 191342356 /nfs/dbraw/zinc/34/23/56/191342356.db2.gz XEHPSVCSCWIWPZ-UHFFFAOYSA-N -1 0 316.321 0.395 10 0 DCAERM O=C([O-])CC[C@H]1CCCCN1C(=O)CN1CCCS1(=O)=O ZINC000262152139 304062021 /nfs/dbraw/zinc/06/20/21/304062021.db2.gz BQCVNZHTRBADPG-LLVKDONJSA-N -1 0 318.395 0.268 10 0 DCAERM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](CF)C(=O)[O-] ZINC000262890814 283437801 /nfs/dbraw/zinc/43/78/01/283437801.db2.gz HVVMQLACOFGNDY-ZJUUUORDSA-N -1 0 324.374 0.120 10 0 DCAERM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000263494009 291380191 /nfs/dbraw/zinc/38/01/91/291380191.db2.gz PZIVGLAVPGYHKN-VWYCJHECSA-N -1 0 319.379 0.597 10 0 DCAERM Cc1cc(C)cc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])c1 ZINC000020015656 182178332 /nfs/dbraw/zinc/17/83/32/182178332.db2.gz YJWJWYDJDIDUJD-LBPRGKRZSA-N -1 0 313.375 0.921 10 0 DCAERM C[C@H](O)[C@@H](NC(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000020480841 182222625 /nfs/dbraw/zinc/22/26/25/182222625.db2.gz PSJZGUXSEQRPEZ-YLWLKBPMSA-N -1 0 303.112 0.408 10 0 DCAERM O=C([O-])Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)s1 ZINC000021789772 182289352 /nfs/dbraw/zinc/28/93/52/182289352.db2.gz SLGSSQMJPOOMEK-QMMMGPOBSA-N -1 0 305.377 0.833 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)s2)C1 ZINC000021807867 182292259 /nfs/dbraw/zinc/29/22/59/182292259.db2.gz YSMWQPYHNIFJLP-RKDXNWHRSA-N -1 0 305.377 0.919 10 0 DCAERM Cc1cc(=O)c(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)c[nH]1 ZINC000022001452 182302927 /nfs/dbraw/zinc/30/29/27/182302927.db2.gz UNZMURWBBRKTNN-ZDUSSCGKSA-N -1 0 302.286 0.945 10 0 DCAERM O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000262070482 304196046 /nfs/dbraw/zinc/19/60/46/304196046.db2.gz JXQZJKIBUSRCOF-RQJHMYQMSA-N -1 0 318.255 0.750 10 0 DCAERM CCCN(CC(=O)[O-])C(=O)Cn1nnc(-c2cccs2)n1 ZINC000038019820 182966894 /nfs/dbraw/zinc/96/68/94/182966894.db2.gz PPLFMVUXMQZTNA-UHFFFAOYSA-N -1 0 309.351 0.725 10 0 DCAERM COCCN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000262275525 220469493 /nfs/dbraw/zinc/46/94/93/220469493.db2.gz UPEHRKMTRSICFL-MQIPJXDCSA-N -1 0 324.377 0.195 10 0 DCAERM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000037414613 395727199 /nfs/dbraw/zinc/72/71/99/395727199.db2.gz HXGOBRXTWYDBOM-IONNQARKSA-N -1 0 323.729 0.688 10 0 DCAERM COCCN(CCOC)C(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092444923 395731057 /nfs/dbraw/zinc/73/10/57/395731057.db2.gz GYABQCJORVJWNI-UHFFFAOYSA-N -1 0 316.276 0.650 10 0 DCAERM CN(CC(F)(F)F)C(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000092779069 395733528 /nfs/dbraw/zinc/73/35/28/395733528.db2.gz NLWVDLQWQBLECF-MRVPVSSYSA-N -1 0 306.244 0.835 10 0 DCAERM CN(C(=O)N(CC(=O)[O-])C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000040591490 395734246 /nfs/dbraw/zinc/73/42/46/395734246.db2.gz AZVYJIQRXDEDPV-LLVKDONJSA-N -1 0 318.395 0.555 10 0 DCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043425734 395752977 /nfs/dbraw/zinc/75/29/77/395752977.db2.gz BOKBJDKQYQPXLY-DTWKUNHWSA-N -1 0 301.324 0.050 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCCc2ccsc2)C1 ZINC000049160291 395829164 /nfs/dbraw/zinc/82/91/64/395829164.db2.gz NEPLJLBXJKMNDK-LLVKDONJSA-N -1 0 318.420 0.922 10 0 DCAERM CC(=O)Nc1cn(C)c(C(=O)Nc2cn(C)c(C(=O)[O-])n2)n1 ZINC000049582035 395833373 /nfs/dbraw/zinc/83/33/73/395833373.db2.gz UDBCLYKWSVMXAT-UHFFFAOYSA-N -1 0 306.282 0.063 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000233663217 395887754 /nfs/dbraw/zinc/88/77/54/395887754.db2.gz KTBXWKMBIDFIGL-GXSJLCMTSA-N -1 0 307.368 0.455 10 0 DCAERM COC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000133306350 395929299 /nfs/dbraw/zinc/92/92/99/395929299.db2.gz HPIPEWCCYQCQJW-GHMZBOCLSA-N -1 0 300.355 0.938 10 0 DCAERM COC(=O)[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@@H](C)O1 ZINC000123515922 395895255 /nfs/dbraw/zinc/89/52/55/395895255.db2.gz IGHCQICSCFHDTJ-SCZZXKLOSA-N -1 0 323.374 0.747 10 0 DCAERM Cc1ccccc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130822081 395924087 /nfs/dbraw/zinc/92/40/87/395924087.db2.gz ZCMRRBZUYJKWEL-LBPRGKRZSA-N -1 0 309.347 0.833 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000227865840 395870009 /nfs/dbraw/zinc/87/00/09/395870009.db2.gz UMLDCPMPZFVVRV-LDYMZIIASA-N -1 0 321.786 0.995 10 0 DCAERM CC(C)(C)CCS(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000230101566 395877905 /nfs/dbraw/zinc/87/79/05/395877905.db2.gz VAZUQLHOVSAAQZ-UHFFFAOYSA-N -1 0 304.372 0.218 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnn(-c2ncccn2)c1 ZINC000154525831 396039286 /nfs/dbraw/zinc/03/92/86/396039286.db2.gz RYQMXYFYBLQBIZ-UHFFFAOYSA-N -1 0 319.350 0.803 10 0 DCAERM CC[C@@H](O)CNc1nc[n-]c(=O)c1I ZINC000165331447 396087328 /nfs/dbraw/zinc/08/73/28/396087328.db2.gz OCVORWLBFIPSNP-RXMQYKEDSA-N -1 0 309.107 0.557 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070556084 396102958 /nfs/dbraw/zinc/10/29/58/396102958.db2.gz QMARFUAXKQLCKV-QWRGUYRKSA-N -1 0 315.395 0.959 10 0 DCAERM COCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000071234548 396111078 /nfs/dbraw/zinc/11/10/78/396111078.db2.gz HHTMZVPNMCWAFJ-LBPRGKRZSA-N -1 0 315.347 0.705 10 0 DCAERM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000071972647 396126397 /nfs/dbraw/zinc/12/63/97/396126397.db2.gz BWQKEIUHMHZVOX-QMMMGPOBSA-N -1 0 302.306 0.923 10 0 DCAERM O=c1[n-]c(C[C@H]2CCOC2)ncc1I ZINC000160812861 396075581 /nfs/dbraw/zinc/07/55/81/396075581.db2.gz FCTLXPSWAUSFMO-ZCFIWIBFSA-N -1 0 306.103 0.954 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000263225022 396206799 /nfs/dbraw/zinc/20/67/99/396206799.db2.gz RJCMJFGMSRSLMG-KXUCPTDWSA-N -1 0 300.380 0.620 10 0 DCAERM CCC[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)[O-] ZINC000262703927 396174407 /nfs/dbraw/zinc/17/44/07/396174407.db2.gz ZUNOFVWIDGYIKZ-MRVPVSSYSA-N -1 0 319.339 0.118 10 0 DCAERM CCn1cnc(S(=O)(=O)N(CCSC)CC(=O)[O-])c1 ZINC000594671207 396496267 /nfs/dbraw/zinc/49/62/67/396496267.db2.gz WRURIFMGLJENNW-UHFFFAOYSA-N -1 0 307.397 0.341 10 0 DCAERM C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000291810025 396513854 /nfs/dbraw/zinc/51/38/54/396513854.db2.gz BIVWMFWVVLQMSI-RDDDGLTNSA-N -1 0 303.311 0.980 10 0 DCAERM C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000313411330 396769497 /nfs/dbraw/zinc/76/94/97/396769497.db2.gz VODKIJIYEFZYII-KXUCPTDWSA-N -1 0 304.368 0.068 10 0 DCAERM COc1cccc([C@@H](NC(=O)Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000630205877 396960453 /nfs/dbraw/zinc/96/04/53/396960453.db2.gz MFKJCLZUPJBPNS-CQSZACIVSA-N -1 0 303.318 0.913 10 0 DCAERM Cn1cc(N2[C@@H](C(=O)NC3(C4CC4)CC3)CC[C@H]2C(=O)[O-])cn1 ZINC000630663763 397074665 /nfs/dbraw/zinc/07/46/65/397074665.db2.gz CWWMWBCSOGGSEK-OLZOCXBDSA-N -1 0 318.377 0.901 10 0 DCAERM O=C([O-])[C@H](CNS(=O)(=O)CCC1CC1)C1CCOCC1 ZINC000572835256 397100401 /nfs/dbraw/zinc/10/04/01/397100401.db2.gz TUNXAEHHWZATFV-GFCCVEGCSA-N -1 0 305.396 0.833 10 0 DCAERM C[C@@H](COCc1ccccc1)NC(=O)NCCOCC(=O)[O-] ZINC000390535348 397301754 /nfs/dbraw/zinc/30/17/54/397301754.db2.gz JXVTWPNALDEDPH-LBPRGKRZSA-N -1 0 310.350 0.992 10 0 DCAERM CS(=O)(=O)c1nnc(NC(=O)c2ccnn2C2CCCC2)[n-]1 ZINC000487338261 397469313 /nfs/dbraw/zinc/46/93/13/397469313.db2.gz MIQRARNMUUDLMR-UHFFFAOYSA-N -1 0 324.366 0.772 10 0 DCAERM CC(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)n(C)c1 ZINC000605531811 397667382 /nfs/dbraw/zinc/66/73/82/397667382.db2.gz JLSJVXDUVUFSNE-UHFFFAOYSA-N -1 0 302.338 0.940 10 0 DCAERM Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1F ZINC000037462079 157988011 /nfs/dbraw/zinc/98/80/11/157988011.db2.gz ZKSXWOSUUUKQFU-GZMMTYOYSA-N -1 0 303.311 0.343 10 0 DCAERM CCCn1nccc1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000076968960 158066833 /nfs/dbraw/zinc/06/68/33/158066833.db2.gz ZEOTUEHVTHFIPT-UHFFFAOYSA-N -1 0 314.305 0.883 10 0 DCAERM CN1CC[C@H](C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000123183270 158227461 /nfs/dbraw/zinc/22/74/61/158227461.db2.gz RVHCCJYBKUFUIN-KBPBESRZSA-N -1 0 318.373 0.915 10 0 DCAERM CO[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)C[C@@H]1OC ZINC000261597350 158721615 /nfs/dbraw/zinc/72/16/15/158721615.db2.gz OEDXBVBBSDAGQM-QQFIATSDSA-N -1 0 300.355 0.685 10 0 DCAERM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262950382 158848900 /nfs/dbraw/zinc/84/89/00/158848900.db2.gz MSZZWVFITKPSFT-VHSXEESVSA-N -1 0 324.374 0.120 10 0 DCAERM CO[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000263024565 158852925 /nfs/dbraw/zinc/85/29/25/158852925.db2.gz BGXJSLRMJDOJMH-MRVPVSSYSA-N -1 0 322.239 0.852 10 0 DCAERM CNC(=O)C(C)(C)CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263291221 158869706 /nfs/dbraw/zinc/86/97/06/158869706.db2.gz VHRPLBHUPIQFJQ-ZUZCIYMTSA-N -1 0 311.382 0.655 10 0 DCAERM Cc1ccc(CS(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1C ZINC000263477527 158882334 /nfs/dbraw/zinc/88/23/34/158882334.db2.gz JUGLQVLBVIPEPM-CYBMUJFWSA-N -1 0 301.364 0.558 10 0 DCAERM CC(C)(C)c1n[nH]cc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408135451 160045303 /nfs/dbraw/zinc/04/53/03/160045303.db2.gz YICIWNVQFOTXRS-QMMMGPOBSA-N -1 0 301.368 0.556 10 0 DCAERM CCc1nc(=N[C@H]2CCCC[C@H]2NS(C)(=O)=O)s[n-]1 ZINC000408240393 160066921 /nfs/dbraw/zinc/06/69/21/160066921.db2.gz CHTHIVDDYVRQMW-DTWKUNHWSA-N -1 0 304.441 0.795 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408390210 160098499 /nfs/dbraw/zinc/09/84/99/160098499.db2.gz SDWWZVIRUPNQBF-AEJSXWLSSA-N -1 0 300.336 0.521 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408397231 160100162 /nfs/dbraw/zinc/10/01/62/160100162.db2.gz WRJYTTQOARCQDE-MGPQQGTHSA-N -1 0 323.370 0.947 10 0 DCAERM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cccc2c1CC(=O)CC2 ZINC000408474272 160116165 /nfs/dbraw/zinc/11/61/65/160116165.db2.gz NQRGRAMFKRBERO-GFCCVEGCSA-N -1 0 323.370 0.593 10 0 DCAERM CC(C)[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)C2COC2)CCO1 ZINC000408476025 160116626 /nfs/dbraw/zinc/11/66/26/160116626.db2.gz IZIJIDROISBPSD-CMPLNLGQSA-N -1 0 305.396 0.673 10 0 DCAERM Cc1ncsc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000408483774 160118581 /nfs/dbraw/zinc/11/85/81/160118581.db2.gz XUTDXMFQXKWVQM-UHFFFAOYSA-N -1 0 312.376 0.713 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)[C@@H]1CCCOCC1 ZINC000408488529 160119055 /nfs/dbraw/zinc/11/90/55/160119055.db2.gz YKAONRYVGIRFFJ-VXGBXAGGSA-N -1 0 305.396 0.818 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@H]1CCCOCC1 ZINC000408488527 160119108 /nfs/dbraw/zinc/11/91/08/160119108.db2.gz YKAONRYVGIRFFJ-RYUDHWBXSA-N -1 0 305.396 0.818 10 0 DCAERM CC(C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000408488173 160119142 /nfs/dbraw/zinc/11/91/42/160119142.db2.gz YCOCAKKIMHHJQR-VIFPVBQESA-N -1 0 301.368 0.392 10 0 DCAERM CC(C)[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccnn1 ZINC000408502186 160120487 /nfs/dbraw/zinc/12/04/87/160120487.db2.gz SAQCPNLMCHIYJE-JQWIXIFHSA-N -1 0 313.379 0.733 10 0 DCAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408505928 160120809 /nfs/dbraw/zinc/12/08/09/160120809.db2.gz ZCVHWNCFQUUIFA-WDEREUQCSA-N -1 0 315.395 0.739 10 0 DCAERM CC[C@H](CNS(=O)(=O)c1cn(CC)c(C)n1)CC(=O)[O-] ZINC000147384334 287030189 /nfs/dbraw/zinc/03/01/89/287030189.db2.gz OFLPEZUOVGAIQV-JTQLQIEISA-N -1 0 303.384 0.991 10 0 DCAERM CCc1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)s1 ZINC000386415555 685249229 /nfs/dbraw/zinc/24/92/29/685249229.db2.gz GTPHDAYTORTLFO-NSHDSACASA-N -1 0 305.377 0.521 10 0 DCAERM COc1cncc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000424364119 287305835 /nfs/dbraw/zinc/30/58/35/287305835.db2.gz CTKKXZNXQSQESP-JOYOIKCWSA-N -1 0 314.363 0.964 10 0 DCAERM CC(C)CCS(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000092778448 415545420 /nfs/dbraw/zinc/54/54/20/415545420.db2.gz OCGIAAMLFOKIJP-LLVKDONJSA-N -1 0 301.368 0.597 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ncccc1Br ZINC000356928356 416007692 /nfs/dbraw/zinc/00/76/92/416007692.db2.gz IZOHZAAIFVAIAC-UHFFFAOYSA-N -1 0 309.127 0.776 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCCC(=O)[O-] ZINC000263045626 416337532 /nfs/dbraw/zinc/33/75/32/416337532.db2.gz FJFREIOHDDXCJK-NSHDSACASA-N -1 0 306.384 0.172 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)[C@@H]1CNC(=O)C1 ZINC000195285314 416325654 /nfs/dbraw/zinc/32/56/54/416325654.db2.gz XGJRMQISJPLVCK-NSHDSACASA-N -1 0 308.359 0.116 10 0 DCAERM COC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n1 ZINC000532793386 416454729 /nfs/dbraw/zinc/45/47/29/416454729.db2.gz PRFNJKZFZVUQKH-SECBINFHSA-N -1 0 316.321 0.401 10 0 DCAERM C[C@@H]1CC[C@H](CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)O1 ZINC000439151731 416608886 /nfs/dbraw/zinc/60/88/86/416608886.db2.gz KUOJNBJCKULLJJ-HTQZYQBOSA-N -1 0 302.356 0.494 10 0 DCAERM CCO[C@H]1C[C@](NC(=O)Cn2cc(C)cn2)(C(=O)[O-])C1(C)C ZINC000439707716 416621661 /nfs/dbraw/zinc/62/16/61/416621661.db2.gz RAHMHDFLDVBTPZ-NHYWBVRUSA-N -1 0 309.366 0.966 10 0 DCAERM C[C@@]1(C(=O)[N-]OCC(N)=O)CCCN1C(=O)c1ccccc1 ZINC000367396753 416646596 /nfs/dbraw/zinc/64/65/96/416646596.db2.gz MVEYFJIZYJDZHO-HNNXBMFYSA-N -1 0 305.334 0.214 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccnc(N2CCCC2)n1 ZINC000514634655 416665668 /nfs/dbraw/zinc/66/56/68/416665668.db2.gz JQKDXFNCUZAFIB-UHFFFAOYSA-N -1 0 300.326 0.009 10 0 DCAERM CS(=O)(=O)C1(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000393685489 417103941 /nfs/dbraw/zinc/10/39/41/417103941.db2.gz YKVCQDFVYFPCIU-DTWKUNHWSA-N -1 0 304.368 0.116 10 0 DCAERM NS(=O)(=O)N1CCOC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616593370 417083916 /nfs/dbraw/zinc/08/39/16/417083916.db2.gz KAQHEOYOCAMEIS-NSHDSACASA-N -1 0 300.336 0.004 10 0 DCAERM CO[C@H](C)c1nsc(=NCCC(=O)N2CCOCC2)[n-]1 ZINC000380046683 417087774 /nfs/dbraw/zinc/08/77/74/417087774.db2.gz BCRMHCFHBFXCEC-SECBINFHSA-N -1 0 300.384 0.328 10 0 DCAERM NS(=O)(=O)N1CCCO[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616658697 417090344 /nfs/dbraw/zinc/09/03/44/417090344.db2.gz JWSNVLGBEVZCSG-LLVKDONJSA-N -1 0 300.336 0.352 10 0 DCAERM CCN([C@H]1CCCOC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000402801936 417114503 /nfs/dbraw/zinc/11/45/03/417114503.db2.gz PXFWGZQJHRBXBW-QMMMGPOBSA-N -1 0 303.340 0.298 10 0 DCAERM CS(=O)(=O)N[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000526080906 417180347 /nfs/dbraw/zinc/18/03/47/417180347.db2.gz UFWWUTDQYSRQLH-SECBINFHSA-N -1 0 322.180 0.994 10 0 DCAERM CC(C)[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC000655896144 418298441 /nfs/dbraw/zinc/29/84/41/418298441.db2.gz KBRMMLCCZPRPJO-ZJUUUORDSA-N -1 0 306.384 0.172 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000547562072 288058610 /nfs/dbraw/zinc/05/86/10/288058610.db2.gz HFCRJMLOCIIFRA-ONGXEEELSA-N -1 0 302.352 0.594 10 0 DCAERM CC(F)(F)CC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408173034 280817815 /nfs/dbraw/zinc/81/78/15/280817815.db2.gz DSGFVVSDOMPIQF-UHFFFAOYSA-N -1 0 309.294 0.516 10 0 DCAERM CCOC(=O)[C@H](C)NC(=O)[C@H](C)N=c1nc(C(C)C)[n-]s1 ZINC000555494828 288352083 /nfs/dbraw/zinc/35/20/83/288352083.db2.gz NAWLSPQWGVXNGN-IUCAKERBSA-N -1 0 314.411 0.952 10 0 DCAERM C[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1O ZINC000408094927 299964600 /nfs/dbraw/zinc/96/46/00/299964600.db2.gz JVXINWJEUPLMHL-OIBJUYFYSA-N -1 0 304.306 0.279 10 0 DCAERM C[C@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C[C@H](C)O1 ZINC000263221792 300282326 /nfs/dbraw/zinc/28/23/26/300282326.db2.gz PFEGZTUTZAFVNM-BJDJZHNGSA-N -1 0 320.411 0.526 10 0 DCAERM C[C@H]1OCCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1C(=O)[O-] ZINC000278840467 300601741 /nfs/dbraw/zinc/60/17/41/300601741.db2.gz ZTDQEKNKQQQWDF-KCJUWKMLSA-N -1 0 303.311 0.688 10 0 DCAERM Cc1ccc(CN(C)S(=O)(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC000584111354 331794097 /nfs/dbraw/zinc/79/40/97/331794097.db2.gz ZLNJOTYTYGUJNE-NSHDSACASA-N -1 0 302.352 0.814 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2)C1 ZINC000380338443 333092180 /nfs/dbraw/zinc/09/21/80/333092180.db2.gz UNXPTTHILMHZKC-LBPRGKRZSA-N -1 0 300.336 0.193 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)c1 ZINC000158209578 522250873 /nfs/dbraw/zinc/25/08/73/522250873.db2.gz YISNJXRAVSDICC-UHFFFAOYSA-N -1 0 312.307 0.401 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cn2ncc3ccccc32)C1 ZINC000237252029 524017677 /nfs/dbraw/zinc/01/76/77/524017677.db2.gz OMLBUBQWQHNGEQ-WCQYABFASA-N -1 0 303.318 0.737 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2cc(OC)ccc2OC)n1 ZINC000158967121 524986037 /nfs/dbraw/zinc/98/60/37/524986037.db2.gz WUAUYJSYVNLYJB-UHFFFAOYSA-N -1 0 314.323 0.631 10 0 DCAERM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@@](C)(O)C2)c1 ZINC000267250366 525308018 /nfs/dbraw/zinc/30/80/18/525308018.db2.gz GNUFSTGCTOJBSH-CQSZACIVSA-N -1 0 312.391 0.963 10 0 DCAERM Cc1ccn2c(c1)ncc(C(=O)N[C@H](C)CCC(=O)[O-])c2=O ZINC000237429844 525613043 /nfs/dbraw/zinc/61/30/43/525613043.db2.gz YXNCCHNQVSOPBH-SNVBAGLBSA-N -1 0 303.318 0.986 10 0 DCAERM Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000237676774 526793632 /nfs/dbraw/zinc/79/36/32/526793632.db2.gz HLZVGJQVAWAZKS-BDAKNGLRSA-N -1 0 319.317 0.818 10 0 DCAERM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N1CNC(=S)NC1 ZINC000073639819 527647832 /nfs/dbraw/zinc/64/78/32/527647832.db2.gz QIDDWULBCFSFRA-GFCCVEGCSA-N -1 0 304.375 0.858 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000070310628 545660779 /nfs/dbraw/zinc/66/07/79/545660779.db2.gz QYXHFPDNOIZOJG-ZJUUUORDSA-N -1 0 306.384 0.170 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000070310629 545661516 /nfs/dbraw/zinc/66/15/16/545661516.db2.gz QYXHFPDNOIZOJG-VHSXEESVSA-N -1 0 306.384 0.170 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCOC2)c(F)c1 ZINC000092114729 545721604 /nfs/dbraw/zinc/72/16/04/545721604.db2.gz HNFHJHNGHFCRLD-SECBINFHSA-N -1 0 303.311 0.981 10 0 DCAERM O=C([O-])[C@@H]1Cn2cnnc2CN1C(=O)OCc1ccccc1 ZINC000669379798 546964503 /nfs/dbraw/zinc/96/45/03/546964503.db2.gz DRMIZXVZHGUQLP-NSHDSACASA-N -1 0 302.290 0.884 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)[C@@H](C(=O)[O-])[C@H]2C1 ZINC000685945990 548749033 /nfs/dbraw/zinc/74/90/33/548749033.db2.gz IGDFYFFMAMUACJ-HRDYMLBCSA-N -1 0 305.352 0.351 10 0 DCAERM CN(Cc1ccc(C(=O)[O-])o1)S(=O)(=O)C[C@H]1CCCO1 ZINC000724895772 657740938 /nfs/dbraw/zinc/74/09/38/657740938.db2.gz PCKJHLKATXJLLI-SNVBAGLBSA-N -1 0 303.336 0.918 10 0 DCAERM CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000724191730 658042334 /nfs/dbraw/zinc/04/23/34/658042334.db2.gz HNTZGNODBLJWON-RNFRBKRXSA-N -1 0 306.365 0.639 10 0 DCAERM CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000724191076 658042546 /nfs/dbraw/zinc/04/25/46/658042546.db2.gz CDXILQUYOPTCGS-OUAUKWLOSA-N -1 0 306.384 0.137 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc2cc[nH]c21 ZINC000176833371 658087114 /nfs/dbraw/zinc/08/71/14/658087114.db2.gz IKGIGLIQFWDVJG-UHFFFAOYSA-N -1 0 309.347 0.475 10 0 DCAERM N#Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c[nH]1 ZINC000181385506 665568176 /nfs/dbraw/zinc/56/81/76/665568176.db2.gz CEFHQLATXWDMTH-UHFFFAOYSA-N -1 0 300.299 0.877 10 0 DCAERM O=C([O-])[C@@H]1CCCC[C@@H]1CNS(=O)(=O)C[C@@H]1CCCO1 ZINC000089381328 658360511 /nfs/dbraw/zinc/36/05/11/658360511.db2.gz MZGGZEKGYNYVNL-GRYCIOLGSA-N -1 0 305.396 0.976 10 0 DCAERM CCCS(=O)(=O)CC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262201604 662162199 /nfs/dbraw/zinc/16/21/99/662162199.db2.gz ORLMQJHNINFRBI-SNVBAGLBSA-N -1 0 323.411 0.586 10 0 DCAERM CC(C)C[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-] ZINC000263566656 662882092 /nfs/dbraw/zinc/88/20/92/662882092.db2.gz WUGWZDVHLPTUGE-MRVPVSSYSA-N -1 0 321.317 0.984 10 0 DCAERM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@H](C)COC ZINC000157725481 664501282 /nfs/dbraw/zinc/50/12/82/664501282.db2.gz FCRJSQQYNDYCDA-SECBINFHSA-N -1 0 317.411 0.632 10 0 DCAERM CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000170306209 664577097 /nfs/dbraw/zinc/57/70/97/664577097.db2.gz YJCSFMPXNUXSII-VXGBXAGGSA-N -1 0 301.364 0.893 10 0 DCAERM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000171565449 664610052 /nfs/dbraw/zinc/61/00/52/664610052.db2.gz UBUIJMIWYXPJDP-AWEZNQCLSA-N -1 0 324.402 0.891 10 0 DCAERM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc21 ZINC000183534551 666062335 /nfs/dbraw/zinc/06/23/35/666062335.db2.gz XLRONOZCDAZIMG-UHFFFAOYSA-N -1 0 309.351 0.039 10 0 DCAERM COCc1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)o1 ZINC000132280514 666267242 /nfs/dbraw/zinc/26/72/42/666267242.db2.gz YUVLPTJBNCSEHY-UHFFFAOYSA-N -1 0 302.352 0.887 10 0 DCAERM CC(=O)N1CSC[C@H]1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000448996143 667266132 /nfs/dbraw/zinc/26/61/32/667266132.db2.gz RIVANIYBZJHRSN-GWCFXTLKSA-N -1 0 302.396 0.913 10 0 DCAERM CS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c1 ZINC000222466352 667869990 /nfs/dbraw/zinc/86/99/90/667869990.db2.gz IPIMFGRPLGBWHD-WDEREUQCSA-N -1 0 313.331 0.661 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccns2)C1 ZINC000717671865 667874201 /nfs/dbraw/zinc/87/42/01/667874201.db2.gz JPACKCXBPPWMIG-SNVBAGLBSA-N -1 0 306.365 0.255 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])c1 ZINC000128888167 669313578 /nfs/dbraw/zinc/31/35/78/669313578.db2.gz VNASVIQUPFACAZ-SECBINFHSA-N -1 0 315.347 0.862 10 0 DCAERM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)C2)c1 ZINC000131047030 669652577 /nfs/dbraw/zinc/65/25/77/669652577.db2.gz KHMCKFOFIINPLF-MRVPVSSYSA-N -1 0 300.311 0.075 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC000715307787 670207768 /nfs/dbraw/zinc/20/77/68/670207768.db2.gz NTTSXPHOVOFTCG-DJLDLDEBSA-N -1 0 312.338 0.519 10 0 DCAERM Cn1nccc1CCC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000190362218 670427221 /nfs/dbraw/zinc/42/72/21/670427221.db2.gz LNXHPUJQJLRAHM-UHFFFAOYSA-N -1 0 312.326 0.392 10 0 DCAERM O=C([N-]S(=O)(=O)N1CCCC1)c1cccc(-n2cncn2)c1 ZINC000115908331 670974274 /nfs/dbraw/zinc/97/42/74/670974274.db2.gz HSKFSCHSQAZDSH-UHFFFAOYSA-N -1 0 321.362 0.338 10 0 DCAERM COCCN(CC(=O)[O-])C(=O)NC[C@@]1(OC)CCSC1 ZINC000719232080 685309464 /nfs/dbraw/zinc/30/94/64/685309464.db2.gz WZNXYPWPXAQWIT-LBPRGKRZSA-N -1 0 306.384 0.251 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C2CC2)cc1 ZINC000180105634 685151292 /nfs/dbraw/zinc/15/12/92/685151292.db2.gz MXGIQARAKPUUNB-VIFPVBQESA-N -1 0 310.375 0.897 10 0 DCAERM CO[C@H]([C@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000384278087 685243403 /nfs/dbraw/zinc/24/34/03/685243403.db2.gz AXIPFERELWCJJA-WRWORJQWSA-N -1 0 302.352 0.805 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2COc3ccccc3O2)C1 ZINC000261611803 1184465024 /nfs/dbraw/zinc/46/50/24/1184465024.db2.gz DZBMJUPGFLUKRO-GBIKHYSHSA-N -1 0 307.302 0.527 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC000262136775 1185161864 /nfs/dbraw/zinc/16/18/64/1185161864.db2.gz LJKFMTUYVMMPKG-JLLWLGSASA-N -1 0 312.366 0.382 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)[C@@H]2CSc3ccccc32)nn1 ZINC000262304182 1185165347 /nfs/dbraw/zinc/16/53/47/1185165347.db2.gz OZSFJLZQOXUYRX-LLVKDONJSA-N -1 0 318.358 0.868 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000262575915 1185170409 /nfs/dbraw/zinc/17/04/09/1185170409.db2.gz YEYIAJWZCINWPW-CMPLNLGQSA-N -1 0 318.333 0.591 10 0 DCAERM Cc1ccc(/C=C\CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000588619637 747557387 /nfs/dbraw/zinc/55/73/87/747557387.db2.gz SIXYPXLALJKHRT-ARJAWSKDSA-N -1 0 324.402 0.980 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-] ZINC000400426772 750827711 /nfs/dbraw/zinc/82/77/11/750827711.db2.gz FRYXOSCHTVNCMW-UWVGGRQHSA-N -1 0 309.384 0.748 10 0 DCAERM C[C@H](CN(C)C(=O)NC[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000694078416 954772156 /nfs/dbraw/zinc/77/21/56/954772156.db2.gz CYRGVSJSMHDEBX-ZJUUUORDSA-N -1 0 306.384 0.316 10 0 DCAERM CO[C@H]1CC[C@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000687193109 976136377 /nfs/dbraw/zinc/13/63/77/976136377.db2.gz IVIGLEGIWQYOFR-YUMQZZPRSA-N -1 0 304.324 0.561 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)c1ccoc1CC(=O)[O-] ZINC000688527002 976183142 /nfs/dbraw/zinc/18/31/42/976183142.db2.gz LGQWINQLIMTNFX-UHFFFAOYSA-N -1 0 303.336 0.413 10 0 DCAERM COCC(COC)S(=O)(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000688603938 976188763 /nfs/dbraw/zinc/18/87/63/976188763.db2.gz YPMFBYBCHHUKAC-GXSJLCMTSA-N -1 0 309.384 0.211 10 0 DCAERM Cc1oc(C(=O)[O-])cc1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000689112530 976226409 /nfs/dbraw/zinc/22/64/09/976226409.db2.gz LPJBHBKQMFKFBT-QMMMGPOBSA-N -1 0 301.320 0.593 10 0 DCAERM C/C(=C\CNC(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC000692411900 976453424 /nfs/dbraw/zinc/45/34/24/976453424.db2.gz GWTCZIRJPLNWKH-ZZXKWVIFSA-N -1 0 302.128 0.943 10 0 DCAERM O=C([O-])CN(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1 ZINC000692414442 976455088 /nfs/dbraw/zinc/45/50/88/976455088.db2.gz KWNAZLIDHDGDKY-CQSZACIVSA-N -1 0 306.362 0.868 10 0 DCAERM CCn1cnnc1CNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694148660 976669532 /nfs/dbraw/zinc/66/95/32/976669532.db2.gz NTYPXAYQIQDFLN-UHFFFAOYSA-N -1 0 300.296 0.068 10 0 DCAERM O=C([O-])C1=CC[C@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000695017818 976767873 /nfs/dbraw/zinc/76/78/73/976767873.db2.gz DNSBTQCHGVQIKM-VHSXEESVSA-N -1 0 319.404 0.196 10 0 DCAERM CN(C)c1nc(CN2CCSC[C@@H]2CC(=O)[O-])ns1 ZINC000699076694 976907481 /nfs/dbraw/zinc/90/74/81/976907481.db2.gz NKSSLUGTRREWBM-QMMMGPOBSA-N -1 0 302.425 0.996 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)n1 ZINC000181347182 199283557 /nfs/dbraw/zinc/28/35/57/199283557.db2.gz BIUAXFYTMNYSCA-UHFFFAOYSA-N -1 0 300.344 0.467 10 0 DCAERM Nc1nc2c(cc1C(=O)[O-])c(=O)[nH]c(=O)n2Cc1ccco1 ZINC000072417083 191155201 /nfs/dbraw/zinc/15/52/01/191155201.db2.gz GRYRUDKDZDRKQV-UHFFFAOYSA-N -1 0 302.246 0.419 10 0 DCAERM Cc1c2c(cc(=O)n1-c1ccncc1)[n-]n(-c1ncccn1)c2=O ZINC000072446262 191169081 /nfs/dbraw/zinc/16/90/81/191169081.db2.gz YJLICTXFADRGMJ-UHFFFAOYSA-N -1 0 320.312 0.963 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)o1 ZINC000085976732 545705973 /nfs/dbraw/zinc/70/59/73/545705973.db2.gz ZRTYLUYRKJLMGE-BDAKNGLRSA-N -1 0 303.336 0.807 10 0 DCAERM CCCN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000262095120 283022939 /nfs/dbraw/zinc/02/29/39/283022939.db2.gz LRZPNNVKPODAEH-MXWKQRLJSA-N -1 0 303.380 0.523 10 0 DCAERM Cc1ccc(C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])o1 ZINC000005547649 181255359 /nfs/dbraw/zinc/25/53/59/181255359.db2.gz VJKGDEVIJQIDSB-YGOYTEALSA-N -1 0 324.358 0.833 10 0 DCAERM CCCNC(=O)CCCC(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000262893382 283360683 /nfs/dbraw/zinc/36/06/83/283360683.db2.gz CMUVDDRBEVFLQH-NWDGAFQWSA-N -1 0 314.382 0.774 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)C[C@@H](C)O1 ZINC000165346312 291248319 /nfs/dbraw/zinc/24/83/19/291248319.db2.gz AWUCVIDTGAKXAC-GHMZBOCLSA-N -1 0 320.411 0.575 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000312905222 291252615 /nfs/dbraw/zinc/25/26/15/291252615.db2.gz SYVOGQGZKWHXCP-ZJUUUORDSA-N -1 0 301.368 0.634 10 0 DCAERM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(F)cc1 ZINC000006537388 181352141 /nfs/dbraw/zinc/35/21/41/181352141.db2.gz UNXQUSWWSBJXCJ-LLVKDONJSA-N -1 0 313.310 0.523 10 0 DCAERM CCCCN(C)S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090933003 192954399 /nfs/dbraw/zinc/95/43/99/192954399.db2.gz KNIIGUBBCABPOQ-UHFFFAOYSA-N -1 0 307.397 0.908 10 0 DCAERM CC(C)(C)SCC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000020550605 182230315 /nfs/dbraw/zinc/23/03/15/182230315.db2.gz VIPSUGALACCKRI-QMMMGPOBSA-N -1 0 311.425 0.522 10 0 DCAERM CCOc1c(=O)c(=O)c1N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000100397002 193799262 /nfs/dbraw/zinc/79/92/62/193799262.db2.gz LDKXSKLHMMIZDV-JTQLQIEISA-N -1 0 305.286 0.495 10 0 DCAERM COc1ccccc1OC[C@@H](COC(N)=O)OS(=O)(=O)[O-] ZINC000065743195 184378466 /nfs/dbraw/zinc/37/84/66/184378466.db2.gz JCBYXDAKMMVIMR-QMMMGPOBSA-N -1 0 321.307 0.357 10 0 in-vitro DCAERM Cc1nc([N-]S(=O)(=O)c2ccc(N)cc2)ncc1CCO ZINC000001683533 395681134 /nfs/dbraw/zinc/68/11/34/395681134.db2.gz ZZIFKJCUYXBFCA-UHFFFAOYSA-N -1 0 308.363 0.703 10 0 DCAERM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796728 395699142 /nfs/dbraw/zinc/69/91/42/395699142.db2.gz SJGZGUYVMSRZCM-ZDUSSCGKSA-N -1 0 309.709 0.470 10 0 DCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C(=O)[O-] ZINC000037405890 395726647 /nfs/dbraw/zinc/72/66/47/395726647.db2.gz GRCKYTZHFIXOGM-ALFREKQPSA-N -1 0 313.253 0.216 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000092890152 395733928 /nfs/dbraw/zinc/73/39/28/395733928.db2.gz DCISIEWYBZJRDI-VHSXEESVSA-N -1 0 301.368 0.825 10 0 DCAERM CCC[C@@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000040544368 395734236 /nfs/dbraw/zinc/73/42/36/395734236.db2.gz RSRVUXKDQYNXQH-SNVBAGLBSA-N -1 0 315.351 0.709 10 0 DCAERM O=C([O-])[C@@]1(NS(=O)(=O)N2CCCCCC2)CCSC1 ZINC000043511633 395753442 /nfs/dbraw/zinc/75/34/42/395753442.db2.gz FWBWOCOXOVBHNN-LLVKDONJSA-N -1 0 308.425 0.657 10 0 DCAERM O=C(N[C@H]1COc2ccccc21)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000195017644 395813386 /nfs/dbraw/zinc/81/33/86/395813386.db2.gz XUPGDSYGZVQYPH-NSHDSACASA-N -1 0 324.296 0.475 10 0 DCAERM CC[C@@H](C)[C@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-] ZINC000050265452 395838090 /nfs/dbraw/zinc/83/80/90/395838090.db2.gz VULHVJOHHBBLCT-KCJUWKMLSA-N -1 0 303.384 0.989 10 0 DCAERM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000116982162 395850242 /nfs/dbraw/zinc/85/02/42/395850242.db2.gz GBXFAOINKDCZKI-VIFPVBQESA-N -1 0 318.782 0.809 10 0 DCAERM CCCN(CCC)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000130838907 395924055 /nfs/dbraw/zinc/92/40/55/395924055.db2.gz CBGGJUKAVWARHX-LLVKDONJSA-N -1 0 318.399 0.502 10 0 DCAERM Cc1noc(CCNS(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC000231881799 395886190 /nfs/dbraw/zinc/88/61/90/395886190.db2.gz ZEVUCBDNUGDNHI-UHFFFAOYSA-N -1 0 318.336 0.054 10 0 DCAERM CC[C@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC000148303714 395968156 /nfs/dbraw/zinc/96/81/56/395968156.db2.gz YUWHNPDRAWWLLK-UWVGGRQHSA-N -1 0 306.384 0.316 10 0 DCAERM Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)cnn1C ZINC000263245644 396208686 /nfs/dbraw/zinc/20/86/86/396208686.db2.gz SEDVQGKLRIQDNI-PSASIEDQSA-N -1 0 301.368 0.602 10 0 DCAERM CNC(=O)C1(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000262483853 396145451 /nfs/dbraw/zinc/14/54/51/396145451.db2.gz DYTDLIYSELNIQQ-GFCCVEGCSA-N -1 0 304.346 0.572 10 0 DCAERM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000262724042 396175602 /nfs/dbraw/zinc/17/56/02/396175602.db2.gz FYHXBYAPYFDEOJ-LLVKDONJSA-N -1 0 302.330 0.807 10 0 DCAERM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262818910 396184868 /nfs/dbraw/zinc/18/48/68/396184868.db2.gz PUXRNCVJPVBCAQ-WOPDTQHZSA-N -1 0 307.350 0.658 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CCOC[C@H]2CCCO2)C1 ZINC000263139385 396202996 /nfs/dbraw/zinc/20/29/96/396202996.db2.gz UBGKTDDINNKERZ-JHJVBQTASA-N -1 0 315.366 0.663 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000079476171 396265291 /nfs/dbraw/zinc/26/52/91/396265291.db2.gz KNYWNDWYWNFZJP-CYBMUJFWSA-N -1 0 318.395 0.124 10 0 DCAERM CN(C(=O)N1CCC[C@]1(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000079493503 396265757 /nfs/dbraw/zinc/26/57/57/396265757.db2.gz GFQPFJUYFNCQSO-JOYOIKCWSA-N -1 0 304.368 0.164 10 0 DCAERM O=C([O-])c1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000190639363 396409001 /nfs/dbraw/zinc/40/90/01/396409001.db2.gz VXJMXXYVZZFUEN-NSHDSACASA-N -1 0 301.306 0.849 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)c2ccsc2)C(=O)[O-])cn1 ZINC000560417231 396614010 /nfs/dbraw/zinc/61/40/10/396614010.db2.gz KZULGWGVVPANHV-SECBINFHSA-N -1 0 301.349 0.586 10 0 DCAERM COC(=O)CCCS(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596025862 396709192 /nfs/dbraw/zinc/70/91/92/396709192.db2.gz CKTGIEBGPSOOGF-SNVBAGLBSA-N -1 0 307.368 0.360 10 0 DCAERM COc1ncc(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC000377587786 397108298 /nfs/dbraw/zinc/10/82/98/397108298.db2.gz ZLNXSOUZOZCCAT-SNVBAGLBSA-N -1 0 304.354 0.997 10 0 DCAERM CC(C)CCSCC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000364512381 397212573 /nfs/dbraw/zinc/21/25/73/397212573.db2.gz XEKXANPXLKCGBW-AWEZNQCLSA-N -1 0 313.423 0.966 10 0 DCAERM COC(=O)CCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000384364686 397280472 /nfs/dbraw/zinc/28/04/72/397280472.db2.gz GJBFRHOCJOACHE-NXEZZACHSA-N -1 0 307.368 0.455 10 0 DCAERM Cn1cc(Br)c(CNC(=O)N2CC(C(=O)[O-])C2)n1 ZINC000393358264 397307726 /nfs/dbraw/zinc/30/77/26/397307726.db2.gz XOOAMMZMZLOZKM-UHFFFAOYSA-N -1 0 317.143 0.409 10 0 DCAERM C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000408221661 397350620 /nfs/dbraw/zinc/35/06/20/397350620.db2.gz JWFJAGASHYASOM-QFYYESIMSA-N -1 0 323.393 0.793 10 0 DCAERM CCn1ncc(Cl)c1C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000621538025 397395664 /nfs/dbraw/zinc/39/56/64/397395664.db2.gz DIVOXLZLIODUED-LBPRGKRZSA-N -1 0 301.730 0.920 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000123616253 158231342 /nfs/dbraw/zinc/23/13/42/158231342.db2.gz VYQMNSCIKOVCTH-GFCCVEGCSA-N -1 0 315.395 0.433 10 0 DCAERM CC(C)CN(CC(=O)[O-])C(=O)c1cnc2ccccn2c1=O ZINC000236697169 158633836 /nfs/dbraw/zinc/63/38/36/158633836.db2.gz KMZSJEKBYZGZTL-UHFFFAOYSA-N -1 0 303.318 0.877 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3ccccc3n2)C1 ZINC000261624084 158723328 /nfs/dbraw/zinc/72/33/28/158723328.db2.gz GXLOEZDYBNVWRM-ZANVPECISA-N -1 0 301.302 0.944 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnn3ccc(C)nc23)C1 ZINC000262154422 158779235 /nfs/dbraw/zinc/77/92/35/158779235.db2.gz OAMOMHFCYFCAKH-MWLCHTKSSA-N -1 0 304.306 0.352 10 0 DCAERM Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262360886 158804081 /nfs/dbraw/zinc/80/40/81/158804081.db2.gz GTUYDVYHUSMGNL-OAHLLOKOSA-N -1 0 311.382 0.650 10 0 DCAERM O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000262446221 158814515 /nfs/dbraw/zinc/81/45/15/158814515.db2.gz HGSADGBNLZHDAN-GFCCVEGCSA-N -1 0 301.306 0.645 10 0 DCAERM CC[C@@H](C)[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C(=O)[O-] ZINC000262563374 158825050 /nfs/dbraw/zinc/82/50/50/158825050.db2.gz ZFTHXYWHUQXUCQ-MWLCHTKSSA-N -1 0 308.400 0.274 10 0 DCAERM C[C@H]1CC[C@H](C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)O1 ZINC000263001536 158852764 /nfs/dbraw/zinc/85/27/64/158852764.db2.gz VBIFUIFQDYTAMQ-CMPLNLGQSA-N -1 0 312.366 0.336 10 0 DCAERM CCCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](OC)C(=O)[O-] ZINC000263149160 158858791 /nfs/dbraw/zinc/85/87/91/158858791.db2.gz WSCOSUFJOICMDH-ZJUUUORDSA-N -1 0 318.395 0.294 10 0 DCAERM Cc1csc2ncc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c(=O)n12 ZINC000263329639 158872588 /nfs/dbraw/zinc/87/25/88/158872588.db2.gz PQEKAKABGOLWAR-OCAPTIKFSA-N -1 0 307.331 0.657 10 0 DCAERM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H]1C(C)C ZINC000408452624 160110639 /nfs/dbraw/zinc/11/06/39/160110639.db2.gz PLWGNBJGIMQTDV-JQWIXIFHSA-N -1 0 315.395 0.595 10 0 DCAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)s1 ZINC000408475729 160116532 /nfs/dbraw/zinc/11/65/32/160116532.db2.gz GWCJLXNTHVELHG-LBPRGKRZSA-N -1 0 316.404 0.778 10 0 DCAERM CC[C@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408505612 160120158 /nfs/dbraw/zinc/12/01/58/160120158.db2.gz XNVZUGUEZLTWPO-GHMZBOCLSA-N -1 0 315.395 0.739 10 0 DCAERM CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)O2)cn1 ZINC000408500804 160120269 /nfs/dbraw/zinc/12/02/69/160120269.db2.gz QFHVIXMHQNVUFR-ONGXEEELSA-N -1 0 301.368 0.836 10 0 DCAERM COCCN(CCOC)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062874701 292483374 /nfs/dbraw/zinc/48/33/74/292483374.db2.gz DQHZJCBGEIZDPX-CQSZACIVSA-N -1 0 302.371 0.888 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])C[C@H](C)O1 ZINC000251609396 287119484 /nfs/dbraw/zinc/11/94/84/287119484.db2.gz GTZGHJUCBPJHLF-XZUYRWCXSA-N -1 0 320.411 0.573 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1C ZINC000253551922 287121455 /nfs/dbraw/zinc/12/14/55/287121455.db2.gz KVQCYGCICZGYON-YUMQZZPRSA-N -1 0 324.362 0.855 10 0 DCAERM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038059069 415193203 /nfs/dbraw/zinc/19/32/03/415193203.db2.gz OYPUCJGWQARKBN-SSDOTTSWSA-N -1 0 318.376 0.345 10 0 DCAERM Cc1cc(=O)n2nc(CN3CCC[C@]3(C)C(=O)[O-])sc2n1 ZINC000079487233 415474867 /nfs/dbraw/zinc/47/48/67/415474867.db2.gz XESGQDCWKGGIIB-CYBMUJFWSA-N -1 0 308.363 0.899 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000279557053 415522089 /nfs/dbraw/zinc/52/20/89/415522089.db2.gz XEBBVHGEFMODKN-UHFFFAOYSA-N -1 0 311.319 0.087 10 0 DCAERM NCC(F)(F)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000162627513 416014602 /nfs/dbraw/zinc/01/46/02/416014602.db2.gz IQWPAWSKRKGTKS-UHFFFAOYSA-N -1 0 304.240 0.976 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)[C@H](c1ccccc1)n1cccn1 ZINC000357038636 416024217 /nfs/dbraw/zinc/02/42/17/416024217.db2.gz BGUYXUJRZISFSQ-LBPRGKRZSA-N -1 0 309.333 0.791 10 0 DCAERM COC(=O)c1cccc(CC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357062140 416028417 /nfs/dbraw/zinc/02/84/17/416028417.db2.gz WZNAJORSDAFLMF-UHFFFAOYSA-N -1 0 301.306 0.334 10 0 DCAERM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000357086169 416032042 /nfs/dbraw/zinc/03/20/42/416032042.db2.gz DEXWIMRVVYLSST-UHFFFAOYSA-N -1 0 307.310 1.373 10 0 DCAERM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000183636038 416248677 /nfs/dbraw/zinc/24/86/77/416248677.db2.gz LVHLLPKVTJNBFU-QMMMGPOBSA-N -1 0 320.317 0.434 10 0 DCAERM O=C(C1CCC(F)(F)CC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000368579187 416670433 /nfs/dbraw/zinc/67/04/33/416670433.db2.gz BPZRQLRBVSIPNU-VIFPVBQESA-N -1 0 301.297 0.925 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCCc3cccnc32)n[n-]1 ZINC000444822545 416873873 /nfs/dbraw/zinc/87/38/73/416873873.db2.gz LOYUUWDQUGGEQC-VIFPVBQESA-N -1 0 321.362 0.662 10 0 DCAERM Cc1ccc(-n2cnnc2)c(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000518886652 416879604 /nfs/dbraw/zinc/87/96/04/416879604.db2.gz QTJXJMYIYPJJEC-UHFFFAOYSA-N -1 0 310.321 0.508 10 0 DCAERM Cc1c(C(=O)NC2(c3nnn[n-]3)CC2)nnn1CC1CCCC1 ZINC000447584578 417008894 /nfs/dbraw/zinc/00/88/94/417008894.db2.gz GLGRQSBTSBXGBD-UHFFFAOYSA-N -1 0 316.369 0.709 10 0 DCAERM COC[C@@H](C)n1ccc(=NC(=O)N=c2ncn(C(C)(C)C)[n-]2)[nH]1 ZINC000525843221 417153111 /nfs/dbraw/zinc/15/31/11/417153111.db2.gz MSRQDPRXBQZSLW-SNVBAGLBSA-N -1 0 321.385 0.925 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCCCC2(F)F)n[n-]1 ZINC000449834043 417179387 /nfs/dbraw/zinc/17/93/87/417179387.db2.gz JOZHOTPWLINCMC-LURJTMIESA-N -1 0 308.310 0.972 10 0 DCAERM CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCO2)cn1C ZINC000408498140 417166352 /nfs/dbraw/zinc/16/63/52/417166352.db2.gz JZBVLAGLOJOUSH-CYBMUJFWSA-N -1 0 315.395 0.918 10 0 DCAERM CC(C)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC000655896142 418298181 /nfs/dbraw/zinc/29/81/81/418298181.db2.gz KBRMMLCCZPRPJO-VHSXEESVSA-N -1 0 306.384 0.172 10 0 DCAERM C[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCN1CCO ZINC000187268573 545915380 /nfs/dbraw/zinc/91/53/80/545915380.db2.gz RZZGAMFJRXAFIJ-VIFPVBQESA-N -1 0 300.305 0.809 10 0 DCAERM Cc1c(S(=O)(=O)NC2(CC(=O)[O-])CCCC2)cnn1C ZINC000312742788 261174725 /nfs/dbraw/zinc/17/47/25/261174725.db2.gz VRQANXLWAJQSAC-UHFFFAOYSA-N -1 0 301.368 0.794 10 0 DCAERM CC(=O)N1CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])[C@@H](C)C1 ZINC000424405017 262492953 /nfs/dbraw/zinc/49/29/53/262492953.db2.gz DBNNYYQWVFQWPZ-AAEUAGOBSA-N -1 0 313.398 0.996 10 0 DCAERM CC(C)[C@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236684581 280294467 /nfs/dbraw/zinc/29/44/67/280294467.db2.gz FYPBTRJAPFNBSJ-LBPRGKRZSA-N -1 0 306.322 0.112 10 0 DCAERM CC1(C)CC[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)O1 ZINC000555579254 288357641 /nfs/dbraw/zinc/35/76/41/288357641.db2.gz SBOBXXWAPPMFFN-QMMMGPOBSA-N -1 0 302.352 0.949 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCCC[C@]2(C)C(=O)[O-])C[C@H](C)O1 ZINC000252810725 297047942 /nfs/dbraw/zinc/04/79/42/297047942.db2.gz NLRCOTRKVUKSSX-NTZNESFSSA-N -1 0 320.411 0.670 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000263144761 297738759 /nfs/dbraw/zinc/73/87/59/297738759.db2.gz DWLWAHUDMQRPBJ-NXEZZACHSA-N -1 0 305.396 0.911 10 0 DCAERM Cn1nccc1S(=O)(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000252879325 303068803 /nfs/dbraw/zinc/06/88/03/303068803.db2.gz YTDRXMKWVCTINT-VWYCJHECSA-N -1 0 313.379 0.827 10 0 DCAERM C[C@H]1CCSCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000385309294 337222266 /nfs/dbraw/zinc/22/22/66/337222266.db2.gz USPCARHABXOCDW-ZETCQYMHSA-N -1 0 305.381 0.624 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000583176614 337255217 /nfs/dbraw/zinc/25/52/17/337255217.db2.gz UASZMYOKGILFAM-RNFRBKRXSA-N -1 0 304.290 0.711 10 0 DCAERM CO[C@H](CNC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(=O)[O-] ZINC000263104489 1185176922 /nfs/dbraw/zinc/17/69/22/1185176922.db2.gz OSQLJVTZMDIQOS-ZYHUDNBSSA-N -1 0 302.371 0.389 10 0 DCAERM COc1cc(C(=O)NC[C@@H](C)CC(=O)[O-])ccc1OCC(N)=O ZINC000262211400 522114651 /nfs/dbraw/zinc/11/46/51/522114651.db2.gz LANJCGDIXMEKCI-VIFPVBQESA-N -1 0 324.333 0.400 10 0 DCAERM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000170775698 523802531 /nfs/dbraw/zinc/80/25/31/523802531.db2.gz JNFPPPDGNXYCII-NXEZZACHSA-N -1 0 303.274 0.778 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)Cn1c2ccccc2n(C)c1=O ZINC000237396047 524119326 /nfs/dbraw/zinc/11/93/26/524119326.db2.gz MJZAAPSEQWMVAC-SNVBAGLBSA-N -1 0 305.334 0.710 10 0 DCAERM C[C@@H](CO)N(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000126831946 524781307 /nfs/dbraw/zinc/78/13/07/524781307.db2.gz WRBKRWLMDKKYLG-JTQLQIEISA-N -1 0 321.402 0.915 10 0 DCAERM COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000223689869 545942310 /nfs/dbraw/zinc/94/23/10/545942310.db2.gz HPGREIBDJOCVMP-QMMMGPOBSA-N -1 0 303.336 0.707 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2CC(=O)[O-])C[C@@H](C)O1 ZINC000245225459 545961402 /nfs/dbraw/zinc/96/14/02/545961402.db2.gz VSDOBAPDTLLQGV-UTUOFQBUSA-N -1 0 320.411 0.670 10 0 DCAERM O=C([O-])[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)OCc1ccccc1 ZINC000725253708 548749264 /nfs/dbraw/zinc/74/92/64/548749264.db2.gz GXEXRYVXUAQTQA-GHMZBOCLSA-N -1 0 313.331 0.411 10 0 DCAERM CNC(=O)Cn1cnc([N-]S(=O)(=O)/C=C\c2ccccc2)n1 ZINC000255388042 657644048 /nfs/dbraw/zinc/64/40/48/657644048.db2.gz VSBPTISMTYKIPT-FPLPWBNLSA-N -1 0 321.362 0.437 10 0 DCAERM O=C([O-])CCc1cccc(NC(=O)CN2CC(=O)NC2=O)c1 ZINC000262527742 658198326 /nfs/dbraw/zinc/19/83/26/658198326.db2.gz OZUMYGIWNRSLTL-UHFFFAOYSA-N -1 0 305.290 0.194 10 0 DCAERM CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000235032837 658394071 /nfs/dbraw/zinc/39/40/71/658394071.db2.gz KFDPYHHELPMHMN-UTLUCORTSA-N -1 0 321.420 0.433 10 0 DCAERM CCOC[C@@H]1CN(C(=O)c2csc(C(=O)[O-])n2)CCO1 ZINC000721468783 658475124 /nfs/dbraw/zinc/47/51/24/658475124.db2.gz JRQVDTOIKCPHQI-QMMMGPOBSA-N -1 0 300.336 0.719 10 0 DCAERM COc1cccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1F ZINC000179454978 658498857 /nfs/dbraw/zinc/49/88/57/658498857.db2.gz ZHOMPKQGZFROBG-UHFFFAOYSA-N -1 0 313.310 0.687 10 0 DCAERM O=C([O-])c1ccoc1S(=O)(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000723238453 658612265 /nfs/dbraw/zinc/61/22/65/658612265.db2.gz MVDPWPPAHFWLFB-DTWKUNHWSA-N -1 0 301.320 0.635 10 0 DCAERM N#Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000181379430 659044192 /nfs/dbraw/zinc/04/41/92/659044192.db2.gz FUNXRAVIOYDQDK-UHFFFAOYSA-N -1 0 320.286 0.913 10 0 DCAERM O=C(CCCNC(=O)C1CC1)N[C@]1(C(=O)[O-])CCSC1 ZINC000262259781 662249163 /nfs/dbraw/zinc/24/91/63/662249163.db2.gz YTJBEBMPYXRNFH-CYBMUJFWSA-N -1 0 300.380 0.369 10 0 DCAERM CCC[C@@H](NC(=O)c1sc(S(N)(=O)=O)cc1C)C(=O)[O-] ZINC000263428304 662687399 /nfs/dbraw/zinc/68/73/99/662687399.db2.gz MQORUWNIMPYRNQ-SSDOTTSWSA-N -1 0 320.392 0.687 10 0 DCAERM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1CCS(=O)(=O)CC1 ZINC000149094867 663601902 /nfs/dbraw/zinc/60/19/02/663601902.db2.gz GDQPKCZYHYRQCH-SECBINFHSA-N -1 0 307.368 0.789 10 0 DCAERM CS(=O)(=O)[N-]C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000175075011 665312784 /nfs/dbraw/zinc/31/27/84/665312784.db2.gz TZLIBSCNJYEZMR-UHFFFAOYSA-N -1 0 301.274 0.840 10 0 DCAERM Cc1nc(CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cs1 ZINC000733361009 666506116 /nfs/dbraw/zinc/50/61/16/666506116.db2.gz ZFQGOPLOLUAZNZ-UHFFFAOYSA-N -1 0 315.380 0.544 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N2CC3(C2)CCCO3)cs1 ZINC000702865796 667005321 /nfs/dbraw/zinc/00/53/21/667005321.db2.gz BKEWWGNACZPRKW-UHFFFAOYSA-N -1 0 303.361 1.000 10 0 DCAERM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC2(C1)CCCO2 ZINC000702869810 667005351 /nfs/dbraw/zinc/00/53/51/667005351.db2.gz XDBHCLHIOKXWJQ-UHFFFAOYSA-N -1 0 301.320 0.840 10 0 DCAERM Cc1nn(C)c(C)c1CC(=O)NC[C@@H](C(=O)[O-])C1CCOCC1 ZINC000864145191 667219301 /nfs/dbraw/zinc/21/93/01/667219301.db2.gz KLJYHERIJXIRAI-CQSZACIVSA-N -1 0 323.393 0.823 10 0 DCAERM CCN1CC[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000710183831 667445924 /nfs/dbraw/zinc/44/59/24/667445924.db2.gz IWSXZVUMCDUXMA-QMMMGPOBSA-N -1 0 319.408 0.302 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C1 ZINC000711547892 667488253 /nfs/dbraw/zinc/48/82/53/667488253.db2.gz LNLKDRIAXVHEJZ-MXWKQRLJSA-N -1 0 320.436 0.323 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000126591224 668628393 /nfs/dbraw/zinc/62/83/93/668628393.db2.gz GWIQIXYYAFSDCU-NSHDSACASA-N -1 0 301.368 0.495 10 0 DCAERM COC(=O)c1cccc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])c1 ZINC000128887944 669313223 /nfs/dbraw/zinc/31/32/23/669313223.db2.gz VNASVIQUPFACAZ-VIFPVBQESA-N -1 0 315.347 0.862 10 0 DCAERM CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000713274816 670154662 /nfs/dbraw/zinc/15/46/62/670154662.db2.gz HWNSGTXUQMPVSD-UBHSHLNASA-N -1 0 306.362 0.723 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCOC[C@H]2C)c1 ZINC000192791462 670187572 /nfs/dbraw/zinc/18/75/72/670187572.db2.gz RETMNNPWYQJVLC-GHMZBOCLSA-N -1 0 315.395 0.942 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@@H]1C ZINC000195253579 670476732 /nfs/dbraw/zinc/47/67/32/670476732.db2.gz ZSYRSWDTNLLXGV-OIBJUYFYSA-N -1 0 302.352 0.769 10 0 DCAERM Cn1ncc2c1ncn(CC(=O)[N-]OCc1ccccc1)c2=O ZINC000010319613 670719152 /nfs/dbraw/zinc/71/91/52/670719152.db2.gz KNDFNNDPCDZPEC-UHFFFAOYSA-N -1 0 313.317 0.378 10 0 DCAERM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000389176404 685257333 /nfs/dbraw/zinc/25/73/33/685257333.db2.gz JSVOAFFFHKKRJV-VIFPVBQESA-N -1 0 305.377 0.980 10 0 DCAERM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(Br)o2)C1 ZINC000395331363 685269332 /nfs/dbraw/zinc/26/93/32/685269332.db2.gz SNULYODSSFABJM-SNVBAGLBSA-N -1 0 304.096 0.704 10 0 DCAERM CO[C@@]1(CNC(=O)N2CC3CC2(C(=O)[O-])C3)CCSC1 ZINC000719255315 685309395 /nfs/dbraw/zinc/30/93/95/685309395.db2.gz CQGCKDOGLBXCAC-BKDHPRRPSA-N -1 0 300.380 0.767 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000070310619 1173813891 /nfs/dbraw/zinc/81/38/91/1173813891.db2.gz LSELYSABPZTVHD-DTWKUNHWSA-N -1 0 309.409 0.276 10 0 DCAERM C[C@]1(C(=O)[O-])CCN(C(=O)CCn2nc3ccccn3c2=O)C1 ZINC000237642281 1181051927 /nfs/dbraw/zinc/05/19/27/1181051927.db2.gz GYNDNIBXIHDQKD-HNNXBMFYSA-N -1 0 318.333 0.209 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2csc3nccn23)C1 ZINC000262115658 1185162135 /nfs/dbraw/zinc/16/21/35/1185162135.db2.gz HTIDLZQYAYSOTQ-NXEZZACHSA-N -1 0 309.347 0.639 10 0 DCAERM CCCCCS(=O)(=O)CC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000262169361 1185163540 /nfs/dbraw/zinc/16/35/40/1185163540.db2.gz QEUNSAXYEHBRTP-MNOVXSKESA-N -1 0 321.395 0.292 10 0 DCAERM CO[C@H](CNC(=O)Cc1c(C)nn(C(F)F)c1C)C(=O)[O-] ZINC000263077597 1185175234 /nfs/dbraw/zinc/17/52/34/1185175234.db2.gz KPZYZIJVRBTEPM-SECBINFHSA-N -1 0 305.281 0.653 10 0 DCAERM CO[C@@H](CNC(=O)C[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC000263159087 1185177288 /nfs/dbraw/zinc/17/72/88/1185177288.db2.gz YLKNYCDWBZTOSY-KOLCDFICSA-N -1 0 300.355 0.287 10 0 DCAERM O=C(NCc1n[nH]c(=O)[n-]1)c1nscc1Br ZINC000404699437 1190209573 /nfs/dbraw/zinc/20/95/73/1190209573.db2.gz DEZFVLLDQHXUPY-UHFFFAOYSA-N -1 0 304.129 0.659 10 0 DCAERM CC[NH+](CC)C[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689198359 954642246 /nfs/dbraw/zinc/64/22/46/954642246.db2.gz ARYYIVHXXZCISX-MNOVXSKESA-N -1 0 307.416 0.100 10 0 DCAERM CC(C)(O)C(C)(C)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689199601 968890234 /nfs/dbraw/zinc/89/02/34/968890234.db2.gz JTXOGWZNQMWFKL-VIFPVBQESA-N -1 0 308.400 0.167 10 0 DCAERM C[C@@H]1C[C@@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H](C)O1 ZINC000686346114 976104819 /nfs/dbraw/zinc/10/48/19/976104819.db2.gz AXFDMZXUMLLHBL-CSMHCCOUSA-N -1 0 303.340 0.200 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCSC[C@@H]2CCO)c1 ZINC000689195859 976242528 /nfs/dbraw/zinc/24/25/28/976242528.db2.gz PPQTWBWRAHDASR-VIFPVBQESA-N -1 0 321.376 0.466 10 0 DCAERM CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000689229139 976242746 /nfs/dbraw/zinc/24/27/46/976242746.db2.gz FLAWMVKXDGGQOC-JGVFFNPUSA-N -1 0 320.392 0.623 10 0 DCAERM CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000689231301 976244805 /nfs/dbraw/zinc/24/48/05/976244805.db2.gz MILBASDCZJEQAJ-IUCAKERBSA-N -1 0 303.336 0.759 10 0 DCAERM O=C([O-])C1=CC[C@@H](NC(=O)N2CCSC[C@@H]2CCO)C1 ZINC000689329164 976250453 /nfs/dbraw/zinc/25/04/53/976250453.db2.gz UAVCNNMEGQJNAZ-MNOVXSKESA-N -1 0 300.380 0.669 10 0 DCAERM C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000690445395 976296194 /nfs/dbraw/zinc/29/61/94/976296194.db2.gz HKXIHZJYQMCHKQ-PSASIEDQSA-N -1 0 306.384 0.220 10 0 DCAERM CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694192289 976679133 /nfs/dbraw/zinc/67/91/33/976679133.db2.gz CIMZRLUQEOBQQJ-UHFFFAOYSA-N -1 0 304.324 0.077 10 0 DCAERM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000694797364 976724575 /nfs/dbraw/zinc/72/45/75/976724575.db2.gz YMLZLPYGRRIZFJ-UWVGGRQHSA-N -1 0 306.384 0.157 10 0 DCAERM CS(=O)(=O)CC1(CN2CCSC[C@H]2CC(=O)[O-])CC1 ZINC000696742957 976823230 /nfs/dbraw/zinc/82/32/30/976823230.db2.gz KWUGYMWSQDBUTB-SNVBAGLBSA-N -1 0 307.437 0.703 10 0 DCAERM CC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)NC ZINC000697822012 976863872 /nfs/dbraw/zinc/86/38/72/976863872.db2.gz QWOBRLIOEJUCJG-JTQLQIEISA-N -1 0 300.336 0.188 10 0 DCAERM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cscn1 ZINC000697831287 976863962 /nfs/dbraw/zinc/86/39/62/976863962.db2.gz DZYDCKUTCGIGNA-MRVPVSSYSA-N -1 0 319.408 0.835 10 0 DCAERM CC(=O)NCCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000171447358 186161314 /nfs/dbraw/zinc/16/13/14/186161314.db2.gz WIOPREWLOHEUHQ-UHFFFAOYSA-N -1 0 320.324 0.973 10 0 DCAERM Cc1c2c(cc(=O)n1CCO)[n-]n(-c1cccc(F)c1)c2=O ZINC000072446024 191168354 /nfs/dbraw/zinc/16/83/54/191168354.db2.gz JTVPGQYRDAIMRD-UHFFFAOYSA-N -1 0 303.293 0.920 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164859258 291247598 /nfs/dbraw/zinc/24/75/98/291247598.db2.gz BJBAKRKDRKFRML-BXKDBHETSA-N -1 0 307.368 0.502 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164859390 291248266 /nfs/dbraw/zinc/24/82/66/291248266.db2.gz BJBAKRKDRKFRML-JOYOIKCWSA-N -1 0 307.368 0.502 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000165949897 291248751 /nfs/dbraw/zinc/24/87/51/291248751.db2.gz GNQIEIUCISRDRB-LLVKDONJSA-N -1 0 320.411 0.434 10 0 DCAERM Cc1nnc(N2C(=O)C[C@@H](S[C@H](C)C(=O)[O-])C2=O)s1 ZINC000016900641 182063250 /nfs/dbraw/zinc/06/32/50/182063250.db2.gz RXGACQZUZUPHJT-INEUFUBQSA-N -1 0 301.349 0.685 10 0 DCAERM O=C([O-])CNC(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000016905511 182064267 /nfs/dbraw/zinc/06/42/67/182064267.db2.gz YVBBNMRNXBBDSI-VIFPVBQESA-N -1 0 308.315 0.846 10 0 DCAERM CS(=O)(=O)CC[C@@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000019803779 182151807 /nfs/dbraw/zinc/15/18/07/182151807.db2.gz SRZSPMKMFHCQPX-SNVBAGLBSA-N -1 0 300.336 0.696 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccccc2F)C1 ZINC000020551225 182230266 /nfs/dbraw/zinc/23/02/66/182230266.db2.gz CUDXKWFAXUZRFU-PSASIEDQSA-N -1 0 303.311 0.688 10 0 DCAERM O=C([O-])CN(C(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000037582075 182910216 /nfs/dbraw/zinc/91/02/16/182910216.db2.gz XKBSWWHHHNWLLG-MRVPVSSYSA-N -1 0 303.361 0.462 10 0 DCAERM O=C([O-])CCc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1 ZINC000038006036 182960343 /nfs/dbraw/zinc/96/03/43/182960343.db2.gz SFAKGIRDOSMXKQ-UHFFFAOYSA-N -1 0 309.347 0.905 10 0 DCAERM C[C@H](CCC[C@@H](C)C(=O)[O-])NC(=O)N1CCS(=O)(=O)CC1 ZINC000087675079 395706902 /nfs/dbraw/zinc/70/69/02/395706902.db2.gz MDURBSPSDHSFEP-GHMZBOCLSA-N -1 0 320.411 0.706 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C[C@@H](C)O1 ZINC000089712803 395714135 /nfs/dbraw/zinc/71/41/35/395714135.db2.gz YJPFUBSQMFUXGD-GMTAPVOTSA-N -1 0 306.384 0.137 10 0 DCAERM CC(C)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000037405972 395726759 /nfs/dbraw/zinc/72/67/59/395726759.db2.gz COGBLOMLMSNRNQ-LLVKDONJSA-N -1 0 314.363 0.417 10 0 DCAERM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000037591713 395728597 /nfs/dbraw/zinc/72/85/97/395728597.db2.gz BEOIXBNCAYQVCX-MXWKQRLJSA-N -1 0 308.400 0.526 10 0 DCAERM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCNC(=O)CC1 ZINC000194026000 395786404 /nfs/dbraw/zinc/78/64/04/395786404.db2.gz NKVCMOWWXKOKRV-VIFPVBQESA-N -1 0 309.288 0.038 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000215193645 395836777 /nfs/dbraw/zinc/83/67/77/395836777.db2.gz GYTFQFBLEFAQLK-GFCCVEGCSA-N -1 0 304.368 0.166 10 0 DCAERM Cc1ncc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)s1 ZINC000235937584 395893300 /nfs/dbraw/zinc/89/33/00/395893300.db2.gz XWPLZTPJIUQMNB-SECBINFHSA-N -1 0 308.406 0.690 10 0 DCAERM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000123840459 395897319 /nfs/dbraw/zinc/89/73/19/395897319.db2.gz DUSCVSQGCQGBSJ-SECBINFHSA-N -1 0 302.327 0.295 10 0 DCAERM C[C@@H]1CCCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000227635117 395869420 /nfs/dbraw/zinc/86/94/20/395869420.db2.gz FMIFPYAONOFRDA-MWLCHTKSSA-N -1 0 316.383 0.255 10 0 DCAERM COCC[C@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000052785865 395869844 /nfs/dbraw/zinc/86/98/44/395869844.db2.gz VMHHHGKNLHYILN-VIFPVBQESA-N -1 0 309.290 0.733 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@@H]1C(=O)[O-] ZINC000230109977 395878875 /nfs/dbraw/zinc/87/88/75/395878875.db2.gz NONBTZIVSVEVBM-MMWGEVLESA-N -1 0 306.384 0.135 10 0 DCAERM COC(=O)[C@@H]1CCCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000133306527 395928827 /nfs/dbraw/zinc/92/88/27/395928827.db2.gz HPIPEWCCYQCQJW-MNOVXSKESA-N -1 0 300.355 0.938 10 0 DCAERM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)N1CCS(=O)(=O)CC1 ZINC000137069305 395950152 /nfs/dbraw/zinc/95/01/52/395950152.db2.gz RPLSGMUYUMDJJA-VIFPVBQESA-N -1 0 306.384 0.316 10 0 DCAERM C[C@@H](CO)[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000151876118 395995135 /nfs/dbraw/zinc/99/51/35/395995135.db2.gz QIGCVCVOWKUWEC-IUCAKERBSA-N -1 0 321.402 0.969 10 0 DCAERM O=c1[n-]cnc(OC[C@H]2CCOC2)c1I ZINC000165728509 396088942 /nfs/dbraw/zinc/08/89/42/396088942.db2.gz HBTVXNXVANRNMS-LURJTMIESA-N -1 0 322.102 0.790 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000070556000 396102932 /nfs/dbraw/zinc/10/29/32/396102932.db2.gz WTOVKWFXJXQBPF-WISYIIOYSA-N -1 0 320.411 0.573 10 0 DCAERM O=C(CN1CCCCCCC1=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262196599 396109992 /nfs/dbraw/zinc/10/99/92/396109992.db2.gz QLMQODBMLFYHIC-AWEZNQCLSA-N -1 0 314.407 0.856 10 0 DCAERM CC(=O)NC[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCO1 ZINC000172233358 396129267 /nfs/dbraw/zinc/12/92/67/396129267.db2.gz GPDBTIFLAIKOHQ-JTQLQIEISA-N -1 0 314.288 0.648 10 0 DCAERM COCCN(CCOC)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000261955734 396084425 /nfs/dbraw/zinc/08/44/25/396084425.db2.gz XCHKAZWCOAGZGV-CQSZACIVSA-N -1 0 324.377 0.987 10 0 DCAERM O=C(CN1CSCC1=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262510246 396149446 /nfs/dbraw/zinc/14/94/46/396149446.db2.gz KAYZLCURPQUSPC-LBPRGKRZSA-N -1 0 322.386 0.579 10 0 DCAERM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000287275876 396398503 /nfs/dbraw/zinc/39/85/03/396398503.db2.gz KPNVUXHORRUAKE-WDEREUQCSA-N -1 0 309.366 0.642 10 0 DCAERM C[C@H]1OCCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H]1C(=O)[O-] ZINC000328276898 396822349 /nfs/dbraw/zinc/82/23/49/396822349.db2.gz YBULTABPUGLTQP-XCBNKYQSSA-N -1 0 316.360 0.482 10 0 DCAERM Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)oc1C(=O)[O-] ZINC000630103079 396941106 /nfs/dbraw/zinc/94/11/06/396941106.db2.gz NKJRMSLVGUPNAV-GFCCVEGCSA-N -1 0 301.320 0.593 10 0 DCAERM COc1ncc(CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC000377587784 397107956 /nfs/dbraw/zinc/10/79/56/397107956.db2.gz ZLNXSOUZOZCCAT-JTQLQIEISA-N -1 0 304.354 0.997 10 0 DCAERM CCn1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2C2CC2)ccc1=O ZINC000630660800 397072222 /nfs/dbraw/zinc/07/22/22/397072222.db2.gz YYTUIUFJWBHMTC-QWHCGFSZSA-N -1 0 319.361 0.887 10 0 DCAERM COC(=O)Cc1c[n-]n(-c2ncc(Br)cn2)c1=O ZINC000601934061 397270593 /nfs/dbraw/zinc/27/05/93/397270593.db2.gz JFDFILHZPOGMLV-ZCFIWIBFSA-N -1 0 313.111 0.751 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000384459873 397279926 /nfs/dbraw/zinc/27/99/26/397279926.db2.gz KDUGZMZOYAHHBE-UWVGGRQHSA-N -1 0 301.368 0.900 10 0 DCAERM Cc1nc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@H]2C)cn1C ZINC000384463879 397281221 /nfs/dbraw/zinc/28/12/21/397281221.db2.gz LEUAMTXHHTUJBC-SCZZXKLOSA-N -1 0 301.368 0.602 10 0 DCAERM O=C1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)CCN1 ZINC000396721023 397312171 /nfs/dbraw/zinc/31/21/71/397312171.db2.gz UUJYCZONIIRRLL-QMMMGPOBSA-N -1 0 304.318 0.912 10 0 DCAERM COCC1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]c(C)n2)CC1 ZINC000370545109 397499504 /nfs/dbraw/zinc/49/95/04/397499504.db2.gz ZOLDNRFUEUNXEL-UHFFFAOYSA-N -1 0 317.367 0.220 10 0 DCAERM O=C(Cc1cc(F)cc2c1OCOC2)NC1(c2nnn[n-]2)CC1 ZINC000578975677 397507342 /nfs/dbraw/zinc/50/73/42/397507342.db2.gz FGLCSMQLYWVTQU-UHFFFAOYSA-N -1 0 319.296 0.553 10 0 DCAERM COCC1(C(=O)[O-])CCN(C(=O)N2CCSCC2)CC1 ZINC000368489877 292222534 /nfs/dbraw/zinc/22/25/34/292222534.db2.gz HUURZPDHOCKFAV-UHFFFAOYSA-N -1 0 302.396 0.968 10 0 DCAERM Cn1nccc1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114727 158110653 /nfs/dbraw/zinc/11/06/53/158110653.db2.gz LVVJZHFQQWLLDM-UHFFFAOYSA-N -1 0 313.310 0.736 10 0 DCAERM CN(CC(=O)NC(C)(C)C)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000123057856 158226134 /nfs/dbraw/zinc/22/61/34/158226134.db2.gz ZMNSTLSYBGNXHT-UHFFFAOYSA-N -1 0 316.361 0.910 10 0 DCAERM CCCS(=O)(=O)CC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262201602 158784762 /nfs/dbraw/zinc/78/47/62/158784762.db2.gz ORLMQJHNINFRBI-JTQLQIEISA-N -1 0 323.411 0.586 10 0 DCAERM COc1ccc(C(=O)N[C@@H](C(=O)N(C)CC(=O)[O-])C(C)C)cc1 ZINC000262453632 158814474 /nfs/dbraw/zinc/81/44/74/158814474.db2.gz PTTMHYQGETWGPL-CQSZACIVSA-N -1 0 322.361 0.993 10 0 DCAERM O=C([O-])[C@@H](NC(=O)c1cnn2c1CCCC2)[C@@H]1CCCOC1 ZINC000262752344 158838660 /nfs/dbraw/zinc/83/86/60/158838660.db2.gz JMJXIFLBRCCMPK-MFKMUULPSA-N -1 0 307.350 0.829 10 0 DCAERM C/C=C/C[C@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-] ZINC000263245360 158865101 /nfs/dbraw/zinc/86/51/01/158865101.db2.gz GAJJZHHBJLGOAA-SGJFDWMWSA-N -1 0 307.335 0.873 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408126335 160042765 /nfs/dbraw/zinc/04/27/65/160042765.db2.gz MYYOJPKIJWFKAF-GHMZBOCLSA-N -1 0 301.368 0.430 10 0 DCAERM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)c1 ZINC000408191465 160056829 /nfs/dbraw/zinc/05/68/29/160056829.db2.gz HWHRUINBOFXKEC-GFCCVEGCSA-N -1 0 312.391 0.439 10 0 DCAERM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000408213086 160061479 /nfs/dbraw/zinc/06/14/79/160061479.db2.gz CPYCDPWEQRWKKK-GMTAPVOTSA-N -1 0 315.395 0.742 10 0 DCAERM C[C@@H]1[C@@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1(F)F ZINC000408232085 160064600 /nfs/dbraw/zinc/06/46/00/160064600.db2.gz RGOHAMDAHROFOT-DMTCNVIQSA-N -1 0 312.323 0.749 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000408459944 160113092 /nfs/dbraw/zinc/11/30/92/160113092.db2.gz ZYLHJVHKYQNZGP-JTQLQIEISA-N -1 0 304.393 0.274 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCO2)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408478273 160116876 /nfs/dbraw/zinc/11/68/76/160116876.db2.gz CEOXSSVOMLUOJH-YUTCNCBUSA-N -1 0 323.370 0.851 10 0 DCAERM Cc1cc(C(=O)[N-]S(=O)(=O)C2COC2)nn1[C@@H](C)C1CC1 ZINC000408479619 160117670 /nfs/dbraw/zinc/11/76/70/160117670.db2.gz URJNRZOVGMJWHJ-VIFPVBQESA-N -1 0 313.379 0.621 10 0 DCAERM Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)nnn1C(C)C ZINC000408483039 160117931 /nfs/dbraw/zinc/11/79/31/160117931.db2.gz LSGGGGULBXGKPQ-SNVBAGLBSA-N -1 0 316.383 0.406 10 0 DCAERM CC[C@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408482693 160117964 /nfs/dbraw/zinc/11/79/64/160117964.db2.gz LCPPFKGLZOZIHC-WDEREUQCSA-N -1 0 301.368 0.430 10 0 DCAERM O=C([N-]S(=O)(=O)CC(F)(F)F)[C@@H]1CCc2n[nH]cc2C1 ZINC000408489523 160118868 /nfs/dbraw/zinc/11/88/68/160118868.db2.gz TWFMBFIEXVJPGK-ZCFIWIBFSA-N -1 0 311.285 0.523 10 0 DCAERM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3ccnn3C)c2C1 ZINC000408494901 160119681 /nfs/dbraw/zinc/11/96/81/160119681.db2.gz CUZAFFCPJWFWTN-SECBINFHSA-N -1 0 323.378 0.318 10 0 DCAERM CCn1cnc(S(=O)(=O)NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000092890093 415543221 /nfs/dbraw/zinc/54/32/21/415543221.db2.gz OERFGWVRKAGXDY-UHFFFAOYSA-N -1 0 313.335 0.981 10 0 DCAERM CC(C)NC(=O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000104824869 415626877 /nfs/dbraw/zinc/62/68/77/415626877.db2.gz QWCUUGOLRLEJBC-UHFFFAOYSA-N -1 0 320.324 0.971 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000122900225 415836030 /nfs/dbraw/zinc/83/60/30/415836030.db2.gz QLPUSCMVBMHQNU-LLVKDONJSA-N -1 0 300.384 0.099 10 0 DCAERM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000127618699 415888980 /nfs/dbraw/zinc/88/89/80/415888980.db2.gz QQBIZNYOILBWOC-RYUDHWBXSA-N -1 0 304.412 0.486 10 0 DCAERM CCc1nc(C(=O)NC2(c3nnn[n-]3)CC2)nn1-c1ccccc1 ZINC000357058294 416026622 /nfs/dbraw/zinc/02/66/22/416026622.db2.gz ZNWYAUQWILUREB-UHFFFAOYSA-N -1 0 324.348 0.762 10 0 DCAERM COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000170775696 416032285 /nfs/dbraw/zinc/03/22/85/416032285.db2.gz JNFPPPDGNXYCII-UWVGGRQHSA-N -1 0 303.274 0.778 10 0 DCAERM C[C@@H]1CCN(C(=O)NCC2([S@](C)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000517560683 416809915 /nfs/dbraw/zinc/80/99/15/416809915.db2.gz SSZLBGDSVNLFPB-ARNPGYACSA-N -1 0 302.396 0.650 10 0 DCAERM CC(C)(C)C(=O)NCCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000568056072 417076267 /nfs/dbraw/zinc/07/62/67/417076267.db2.gz XDACBFVDRNZHFZ-JTQLQIEISA-N -1 0 323.397 0.769 10 0 DCAERM CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1nnn[n-]1 ZINC000616656161 417091058 /nfs/dbraw/zinc/09/10/58/417091058.db2.gz LBYXRJPPLPRPEG-JTQLQIEISA-N -1 0 312.374 0.488 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1OCC[C@@H]1C(C)C ZINC000408481888 417163978 /nfs/dbraw/zinc/16/39/78/417163978.db2.gz YYJBOOGEAWLKFU-RKDXNWHRSA-N -1 0 317.367 0.431 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000569400179 417246822 /nfs/dbraw/zinc/24/68/22/417246822.db2.gz VWOQMJPQMMCPIR-LHLIQPBNSA-N -1 0 305.743 0.169 10 0 DCAERM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CC(C(=O)[O-])C3)[C@H]2C1 ZINC000621835112 417313041 /nfs/dbraw/zinc/31/30/41/417313041.db2.gz KUJCITWSDMTXDV-DRZSPHRISA-N -1 0 309.366 0.359 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000530152914 417545356 /nfs/dbraw/zinc/54/53/56/417545356.db2.gz ZZSDSSPUVYVMOD-LBPRGKRZSA-N -1 0 306.384 0.139 10 0 DCAERM Cn1ccnc1-c1cccc(NC(=O)CN2CC(=O)NC2=O)c1 ZINC000111572510 261108779 /nfs/dbraw/zinc/10/87/79/261108779.db2.gz JLHBIHJLKIJWLB-UHFFFAOYSA-N -1 0 313.317 0.577 10 0 DCAERM CCc1nn(C)c(CC)c1CC(=O)NC1(c2nnn[n-]2)CC1 ZINC000362173330 262006832 /nfs/dbraw/zinc/00/68/32/262006832.db2.gz LYDGTHONZVOVAT-UHFFFAOYSA-N -1 0 303.370 0.406 10 0 DCAERM CNS(=O)(=O)c1cc(C(=O)N2CCOCC[C@H]2C)co1 ZINC000362241581 262014695 /nfs/dbraw/zinc/01/46/95/262014695.db2.gz WSQQPZHJTRPOIC-SECBINFHSA-N -1 0 302.352 0.439 10 0 DCAERM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N=c1nc(CC)[n-]s1 ZINC000362667818 262058177 /nfs/dbraw/zinc/05/81/77/262058177.db2.gz RNTSIXZZWAOWCV-SFYZADRCSA-N -1 0 300.384 0.391 10 0 DCAERM COc1cc2c(cc1C(=O)NC1(c3nnn[n-]3)CC1)OCO2 ZINC000357057355 271039523 /nfs/dbraw/zinc/03/95/23/271039523.db2.gz QBDKJHRCXKUTEU-UHFFFAOYSA-N -1 0 303.278 0.356 10 0 DCAERM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cn2cccnc2n1 ZINC000526016931 272587677 /nfs/dbraw/zinc/58/76/77/272587677.db2.gz WVZYCFAKFAMRIS-UHFFFAOYSA-N -1 0 322.288 0.663 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000263037594 277992300 /nfs/dbraw/zinc/99/23/00/277992300.db2.gz DBFCBGHOLXMABK-CMPLNLGQSA-N -1 0 320.411 0.512 10 0 DCAERM C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)c1ccccc1)c1nnn[n-]1 ZINC000548467041 288146503 /nfs/dbraw/zinc/14/65/03/288146503.db2.gz RULICTKTKMKOMK-GHMZBOCLSA-N -1 0 316.365 0.580 10 0 DCAERM CC(C)[C@H](C(=O)N[C@H](C)CCC(=O)[O-])N1CCCS1(=O)=O ZINC000262227924 280181931 /nfs/dbraw/zinc/18/19/31/280181931.db2.gz RYLAORBVHXVGBA-ZYHUDNBSSA-N -1 0 320.411 0.416 10 0 DCAERM CO[C@@H](CNC(=O)CC[C@H]1Cc2ccccc2NC1=O)C(=O)[O-] ZINC000262848188 293528722 /nfs/dbraw/zinc/52/87/22/293528722.db2.gz FQVOENFPMPPKKO-AAEUAGOBSA-N -1 0 320.345 0.793 10 0 DCAERM CO[C@@]1(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCOC1 ZINC000160999786 294167791 /nfs/dbraw/zinc/16/77/91/294167791.db2.gz MOOYJWRMMVOOEG-BXUZGUMPSA-N -1 0 302.371 0.838 10 0 DCAERM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000262974122 298311498 /nfs/dbraw/zinc/31/14/98/298311498.db2.gz MAPSHRDOEYKKNF-UDZFHETQSA-N -1 0 322.365 0.309 10 0 DCAERM Cc1cccc2[nH]c(CCC(=O)NC[C@](C)(O)C(=O)[O-])nc21 ZINC000262329195 302051240 /nfs/dbraw/zinc/05/12/40/302051240.db2.gz AQAFCYYEUNYYMI-HNNXBMFYSA-N -1 0 305.334 0.756 10 0 DCAERM Cn1ncc2c1CCC[C@@H]2NC(=O)c1cnc([O-])n(C)c1=O ZINC000267548173 303056065 /nfs/dbraw/zinc/05/60/65/303056065.db2.gz CDDXUZRRDCHWCU-JTQLQIEISA-N -1 0 303.322 0.027 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2)C1 ZINC000380338441 333091977 /nfs/dbraw/zinc/09/19/77/333091977.db2.gz UNXPTTHILMHZKC-GFCCVEGCSA-N -1 0 300.336 0.193 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)C[C@H](C)O1 ZINC000399194749 337314282 /nfs/dbraw/zinc/31/42/82/337314282.db2.gz IOKBMBWSWRIVMY-NGZCFLSTSA-N -1 0 306.384 0.183 10 0 DCAERM CC[C@H](CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)CC(=O)[O-] ZINC000219998143 337351574 /nfs/dbraw/zinc/35/15/74/337351574.db2.gz JLEDYFTWKJKDNW-DCAQKATOSA-N -1 0 308.400 0.431 10 0 DCAERM [NH3+][C@@H](CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])C(=O)[O-] ZINC000584605041 337371476 /nfs/dbraw/zinc/37/14/76/337371476.db2.gz VCEHZQXYPLFMGJ-QWRGUYRKSA-N -1 0 312.297 0.130 10 0 DCAERM O=C1CC[C@H](N=c2[n-]c(C3CCC3)no2)[C@@H]([C@H]2CCCO2)N1 ZINC000576226287 341834683 /nfs/dbraw/zinc/83/46/83/341834683.db2.gz OYZOIYYOJRBDLC-LOWVWBTDSA-N -1 0 306.366 0.997 10 0 DCAERM Cc1c(C(=O)NC2(c3nnn[n-]3)CC2)nnn1-c1ccc(C)cc1 ZINC000357083663 533777135 /nfs/dbraw/zinc/77/71/35/533777135.db2.gz ZBOQRSXZRLJRPN-UHFFFAOYSA-N -1 0 324.348 0.816 10 0 DCAERM CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CF)C(=O)[O-] ZINC000262872212 519463775 /nfs/dbraw/zinc/46/37/75/519463775.db2.gz GEHHOAJMKBQQMK-ZDUSSCGKSA-N -1 0 310.325 0.617 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000262505546 523749113 /nfs/dbraw/zinc/74/91/13/523749113.db2.gz MJTOCTUZKXZFET-NEPJUHHUSA-N -1 0 321.333 0.169 10 0 DCAERM O=C([O-])[C@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@@H]1C(F)(F)F ZINC000365090140 526332212 /nfs/dbraw/zinc/33/22/12/526332212.db2.gz AHUCLBVKIVMLTC-WDSKDSINSA-N -1 0 313.257 0.293 10 0 DCAERM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cscn1 ZINC000104874977 527116948 /nfs/dbraw/zinc/11/69/48/527116948.db2.gz LLNRLEMAUZXGOI-UHFFFAOYSA-N -1 0 317.374 0.955 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)o1 ZINC000085976739 545707180 /nfs/dbraw/zinc/70/71/80/545707180.db2.gz ZRTYLUYRKJLMGE-RKDXNWHRSA-N -1 0 303.336 0.807 10 0 DCAERM C[C@H]1CN(S(=O)(=O)CC2CCOCC2)CC[C@@H]1C(=O)[O-] ZINC000526944259 546284930 /nfs/dbraw/zinc/28/49/30/546284930.db2.gz OCMBHXUUXCJOLZ-JQWIXIFHSA-N -1 0 305.396 0.785 10 0 DCAERM CC1(C)CN(CCCNC(=O)C(F)(F)F)CCS1(=O)=O ZINC000091591307 658876438 /nfs/dbraw/zinc/87/64/38/658876438.db2.gz SGFPJNCDUAYPPL-UHFFFAOYSA-N -1 0 316.345 0.564 10 0 DCAERM Cc1cc(C)n(CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)n1 ZINC000725894088 659239565 /nfs/dbraw/zinc/23/95/65/659239565.db2.gz RPJXRNOKMQCPNQ-UHFFFAOYSA-N -1 0 312.355 0.050 10 0 DCAERM Cc1nc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)n(C)n1 ZINC000185833563 659261118 /nfs/dbraw/zinc/26/11/18/659261118.db2.gz JXFUSOXYDPYTBD-UHFFFAOYSA-N -1 0 304.763 0.620 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)Cn1ncc2ccccc2c1=O ZINC000262172655 662139656 /nfs/dbraw/zinc/13/96/56/662139656.db2.gz QTMIRMMMHKZFHI-JTQLQIEISA-N -1 0 303.318 0.766 10 0 DCAERM Cc1nc([C@H](C)NC(=O)C2=NN(C)C(=O)CC2)sc1C(=O)[O-] ZINC000262601139 662500075 /nfs/dbraw/zinc/50/00/75/662500075.db2.gz YODSVRXIAZRZIK-ZETCQYMHSA-N -1 0 324.362 0.935 10 0 DCAERM CC(C)C[C@@H](CNC(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000263036867 662619021 /nfs/dbraw/zinc/61/90/21/662619021.db2.gz IBSNYLXQFKQYOB-NSHDSACASA-N -1 0 322.365 0.727 10 0 DCAERM CCCCNC(=O)C1CCN(C(=O)COCC(=O)[O-])CC1 ZINC000041073513 663062204 /nfs/dbraw/zinc/06/22/04/663062204.db2.gz WICFWHSVFQDAPK-UHFFFAOYSA-N -1 0 300.355 0.243 10 0 DCAERM CCCCCCOCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000730832802 664818196 /nfs/dbraw/zinc/81/81/96/664818196.db2.gz USZJQCVLVHXTSF-UHFFFAOYSA-N -1 0 304.372 0.744 10 0 DCAERM COCCCNC(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1 ZINC000183469672 666050039 /nfs/dbraw/zinc/05/00/39/666050039.db2.gz DXFHDVZRXYWUBI-NSHDSACASA-N -1 0 315.333 0.443 10 0 DCAERM CO[C@@H](CNC(=O)c1cc(O)cc(Br)c1)C(=O)[O-] ZINC000700704026 666754652 /nfs/dbraw/zinc/75/46/52/666754652.db2.gz XSBFOIBYHREIMP-VIFPVBQESA-N -1 0 318.123 0.984 10 0 DCAERM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000703763424 667139760 /nfs/dbraw/zinc/13/97/60/667139760.db2.gz ZSHYJFBIRZENMU-NSHDSACASA-N -1 0 304.299 0.085 10 0 DCAERM O=C([O-])c1ncsc1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000711544107 667488152 /nfs/dbraw/zinc/48/81/52/667488152.db2.gz ZIHXZHWKYYVARH-KNVOCYPGSA-N -1 0 320.417 0.825 10 0 DCAERM O=C([O-])[C@@]1(N2CCN(C(=O)C(C3CC3)C3CC3)CC2)CCOC1 ZINC000886077519 667729125 /nfs/dbraw/zinc/72/91/25/667729125.db2.gz CTGZNYVKZKZXED-QGZVFWFLSA-N -1 0 322.405 0.811 10 0 DCAERM Cc1ccc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000193201141 670251380 /nfs/dbraw/zinc/25/13/80/670251380.db2.gz PZAUGILEQLKRQG-UHFFFAOYSA-N -1 0 312.391 0.510 10 0 DCAERM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)C2)cc1 ZINC000195284903 670479225 /nfs/dbraw/zinc/47/92/25/670479225.db2.gz NBHQVRNLTYXXHQ-LLVKDONJSA-N -1 0 310.375 0.580 10 0 DCAERM C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000720406378 685313874 /nfs/dbraw/zinc/31/38/74/685313874.db2.gz AEKKVUKQBJOURM-MNOVXSKESA-N -1 0 306.384 0.139 10 0 DCAERM Cc1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1F ZINC000386455143 685248926 /nfs/dbraw/zinc/24/89/26/685248926.db2.gz MMZTVKUNHLAQFE-GFCCVEGCSA-N -1 0 303.311 0.344 10 0 DCAERM CCc1oc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000261671819 1184715340 /nfs/dbraw/zinc/71/53/40/1184715340.db2.gz PJQHLUDKVNKNDX-ZDUSSCGKSA-N -1 0 315.347 0.847 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)[C@H]2CCOc3ccccc32)nn1 ZINC000261879263 1185159365 /nfs/dbraw/zinc/15/93/65/1185159365.db2.gz MHMDKVREJPDHNL-LBPRGKRZSA-N -1 0 316.317 0.545 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000262075811 1185161370 /nfs/dbraw/zinc/16/13/70/1185161370.db2.gz AAOHXSAHBCKSHP-UWVGGRQHSA-N -1 0 300.355 0.239 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3nnc(C)n3c2)C1 ZINC000262102978 1185162168 /nfs/dbraw/zinc/16/21/68/1185162168.db2.gz FSFUWYLROKWBBL-QWRGUYRKSA-N -1 0 304.306 0.352 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2csc3nccn23)C1 ZINC000262115661 1185162497 /nfs/dbraw/zinc/16/24/97/1185162497.db2.gz HTIDLZQYAYSOTQ-UWVGGRQHSA-N -1 0 309.347 0.639 10 0 DCAERM CO[C@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)C(=O)[O-] ZINC000263089129 1185175614 /nfs/dbraw/zinc/17/56/14/1185175614.db2.gz MNNSETLNOGAFFZ-HTQZYQBOSA-N -1 0 300.336 0.824 10 0 DCAERM CCOc1nc(NC(=O)c2cnc3n(c2=O)CCS3)n[n-]1 ZINC000228791694 1190704019 /nfs/dbraw/zinc/70/40/19/1190704019.db2.gz ZKAVVDAAOLSCGO-UHFFFAOYSA-N -1 0 308.323 0.118 10 0 DCAERM CSCC[C@H](C)N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689233092 954647785 /nfs/dbraw/zinc/64/77/85/954647785.db2.gz HHIGVUCBHNXVGL-UWVGGRQHSA-N -1 0 310.441 0.854 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@H]1CCCCS1 ZINC000689235561 954648043 /nfs/dbraw/zinc/64/80/43/954648043.db2.gz OIWOGBWOUGSCJN-ZJUUUORDSA-N -1 0 308.425 0.656 10 0 DCAERM C[C@H](CCNC(=O)NC[C@H](C(=O)[O-])C1CCC1)[S@](C)=O ZINC000697989854 954838501 /nfs/dbraw/zinc/83/85/01/954838501.db2.gz FTFJTGXNJDFQAY-SSBAMLGTSA-N -1 0 304.412 0.944 10 0 DCAERM CSCCCCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689235253 968891356 /nfs/dbraw/zinc/89/13/56/968891356.db2.gz MISFPYOLERMDAQ-JTQLQIEISA-N -1 0 310.441 0.903 10 0 DCAERM C[C@@]1(CO)CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000688067644 976165418 /nfs/dbraw/zinc/16/54/18/976165418.db2.gz ROOWWWSXGUIGFT-GFCCVEGCSA-N -1 0 302.352 0.496 10 0 DCAERM CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000689235379 976245424 /nfs/dbraw/zinc/24/54/24/976245424.db2.gz YTWUSPOUAHHXTF-KCJUWKMLSA-N -1 0 302.352 0.494 10 0 DCAERM CC(C)(C)CN(CCO)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000691023347 976344474 /nfs/dbraw/zinc/34/44/74/976344474.db2.gz GABYLDFQOVPZID-UHFFFAOYSA-N -1 0 322.408 0.870 10 0 DCAERM O=C([O-])c1cn(CCNC(=O)NCC2SCCS2)nn1 ZINC000693432969 976631756 /nfs/dbraw/zinc/63/17/56/976631756.db2.gz GVGQRDRAIBCDSR-UHFFFAOYSA-N -1 0 317.396 0.082 10 0 DCAERM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000694797363 976723913 /nfs/dbraw/zinc/72/39/13/976723913.db2.gz YMLZLPYGRRIZFJ-NXEZZACHSA-N -1 0 306.384 0.157 10 0 DCAERM C[C@@H](CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)S(C)(=O)=O ZINC000697585007 976850202 /nfs/dbraw/zinc/85/02/02/976850202.db2.gz KHEGBPNCRYLYJI-JOYOIKCWSA-N -1 0 306.384 0.316 10 0 DCAERM O=C([O-])CCNC(=O)CNC(=O)c1ccc2cccc(F)c2n1 ZINC000095530873 185378792 /nfs/dbraw/zinc/37/87/92/185378792.db2.gz JJARORVZALRHQU-UHFFFAOYSA-N -1 0 319.292 0.695 10 0 DCAERM O=C([O-])CCc1cc2n(n1)CCN(c1ncc3[nH]cnc3n1)C2 ZINC000072406771 191153031 /nfs/dbraw/zinc/15/30/31/191153031.db2.gz CMQUDJMXZQRBNY-UHFFFAOYSA-N -1 0 313.321 0.587 10 0 DCAERM O=C([O-])Cn1c(=O)c2ccccc2nc1S[C@H]1CCOC1=O ZINC000073661830 191337467 /nfs/dbraw/zinc/33/74/67/191337467.db2.gz ODVMYPHVLJMHIG-JTQLQIEISA-N -1 0 320.326 0.889 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)n1 ZINC000179645415 199069863 /nfs/dbraw/zinc/06/98/63/199069863.db2.gz BSTYAERLRJCIOX-UHFFFAOYSA-N -1 0 306.735 0.309 10 0 DCAERM O=C([O-])[C@@H](Cc1c[nH]cn1)N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000002451761 304094879 /nfs/dbraw/zinc/09/48/79/304094879.db2.gz MMZUYMRACDCOMP-QRIQYOGLSA-N -1 0 301.302 0.213 10 0 DCAERM O=C([O-])[C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000374089711 304165492 /nfs/dbraw/zinc/16/54/92/304165492.db2.gz VYKOAXGYNGFQBG-GIPNMCIBSA-N -1 0 301.364 0.134 10 0 DCAERM Cc1nnc(N2C(=O)C[C@@H](S[C@@H](C)C(=O)[O-])C2=O)s1 ZINC000016900642 182063060 /nfs/dbraw/zinc/06/30/60/182063060.db2.gz RXGACQZUZUPHJT-UJURSFKZSA-N -1 0 301.349 0.685 10 0 DCAERM Cc1nnc(N2C(=O)C[C@@H](SCCC(=O)[O-])C2=O)s1 ZINC000016900636 182063138 /nfs/dbraw/zinc/06/31/38/182063138.db2.gz GNOOCFIWKRRWKY-ZCFIWIBFSA-N -1 0 301.349 0.686 10 0 DCAERM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)CSC1=O ZINC000016905313 182064435 /nfs/dbraw/zinc/06/44/35/182064435.db2.gz KKCZTQJMYUQVSU-UHFFFAOYSA-N -1 0 310.287 0.724 10 0 DCAERM Cc1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])cn1 ZINC000019803775 182151567 /nfs/dbraw/zinc/15/15/67/182151567.db2.gz BAWLQWJNTRROMN-JTQLQIEISA-N -1 0 300.336 0.008 10 0 DCAERM O=C([O-])CN1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000020180582 182194638 /nfs/dbraw/zinc/19/46/38/182194638.db2.gz MIHQNJUDTOXTTN-UHFFFAOYSA-N -1 0 302.252 0.946 10 0 DCAERM CN(CCO)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000037836694 182930159 /nfs/dbraw/zinc/93/01/59/182930159.db2.gz OXLBZUYKZACAQX-UHFFFAOYSA-N -1 0 311.718 0.790 10 0 DCAERM CC[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842222 184056436 /nfs/dbraw/zinc/05/64/36/184056436.db2.gz YQJMCVPXPBCSFP-CQSZACIVSA-N -1 0 306.274 0.657 10 0 DCAERM O=C([O-])[C@@H](CCO)NC(=O)c1ccc(Br)cn1 ZINC000061860591 184190032 /nfs/dbraw/zinc/19/00/32/184190032.db2.gz SDJAUYGJXKPJIO-MRVPVSSYSA-N -1 0 303.112 0.410 10 0 DCAERM CO[C@H](C)c1nsc(=NC2CCN(S(C)(=O)=O)CC2)[n-]1 ZINC000400203226 533119467 /nfs/dbraw/zinc/11/94/67/533119467.db2.gz PLBISDMJVQSNNO-MRVPVSSYSA-N -1 0 320.440 0.503 10 0 DCAERM Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)[O-])cc1)N2 ZINC000013513941 257133715 /nfs/dbraw/zinc/13/37/15/257133715.db2.gz OXIZGFYJYJOABB-SECBINFHSA-N -1 0 316.321 0.781 10 0 in-vitro DCAERM CN(C(=O)N1CC[C@H](CC(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000089715326 395714255 /nfs/dbraw/zinc/71/42/55/395714255.db2.gz RJYPMAWQTZQSTN-NXEZZACHSA-N -1 0 304.368 0.022 10 0 DCAERM O=C(CC1(C(=O)[O-])CCCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000035126065 395718846 /nfs/dbraw/zinc/71/88/46/395718846.db2.gz YXKANSQJUBINIX-SNVBAGLBSA-N -1 0 303.380 0.715 10 0 DCAERM CCCCCCCCO[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O ZINC000106384741 395782730 /nfs/dbraw/zinc/78/27/30/395782730.db2.gz SYLNWYZPTDDGMH-OIRVYTLQSA-N -1 0 306.355 0.256 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000195286801 395824051 /nfs/dbraw/zinc/82/40/51/395824051.db2.gz CXTKLAQLGULVLE-NXEZZACHSA-N -1 0 310.297 0.631 10 0 DCAERM CC[C@](C)(CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000211110903 395835296 /nfs/dbraw/zinc/83/52/96/395835296.db2.gz COYLDZHKJDZLRR-CKYFFXLPSA-N -1 0 308.400 0.431 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000221745378 395850916 /nfs/dbraw/zinc/85/09/16/395850916.db2.gz JJRORDLCZBDPBT-ONGXEEELSA-N -1 0 317.338 0.997 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000233662879 395887460 /nfs/dbraw/zinc/88/74/60/395887460.db2.gz KTBXWKMBIDFIGL-MWLCHTKSSA-N -1 0 307.368 0.455 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000133243981 395929001 /nfs/dbraw/zinc/92/90/01/395929001.db2.gz HRLDTOPJPPGSSD-IUCAKERBSA-N -1 0 314.363 0.434 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000129748164 395921390 /nfs/dbraw/zinc/92/13/90/395921390.db2.gz LGSNMBREUDYFMS-SNVBAGLBSA-N -1 0 321.376 0.746 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)c2ccc(F)cc2)C(=O)[O-])cn1 ZINC000130831779 395924181 /nfs/dbraw/zinc/92/41/81/395924181.db2.gz UIVUXFFTFMBHGG-LLVKDONJSA-N -1 0 313.310 0.663 10 0 DCAERM C[C@@H](CCCNS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000227865785 395869659 /nfs/dbraw/zinc/86/96/59/395869659.db2.gz YOLCMHAMPWCXEU-ZETCQYMHSA-N -1 0 309.775 0.853 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)NCC1(C(=O)[O-])CCCC1 ZINC000227865287 395869910 /nfs/dbraw/zinc/86/99/10/395869910.db2.gz WDVMIBPVWSLGLH-UHFFFAOYSA-N -1 0 321.786 0.997 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cnc(C)s2)C1 ZINC000230107395 395878992 /nfs/dbraw/zinc/87/89/92/395878992.db2.gz KADOGXWNEPUVCJ-JGVFFNPUSA-N -1 0 306.365 0.314 10 0 DCAERM CCN(CCO)c1nn(-c2ccc(OC)cc2)nc1C(=O)[O-] ZINC000256047386 396033607 /nfs/dbraw/zinc/03/36/07/396033607.db2.gz MGSXVJGCZBXURL-UHFFFAOYSA-N -1 0 306.322 0.793 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1C ZINC000277959114 396096874 /nfs/dbraw/zinc/09/68/74/396096874.db2.gz RZUIVIWPPUVIIB-HTQZYQBOSA-N -1 0 320.392 0.633 10 0 DCAERM C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000070311987 396101189 /nfs/dbraw/zinc/10/11/89/396101189.db2.gz KGTQSBDAKXVBOC-SECBINFHSA-N -1 0 315.347 0.989 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000070309943 396101537 /nfs/dbraw/zinc/10/15/37/396101537.db2.gz QBRYTUZTQAYLQO-UWVGGRQHSA-N -1 0 306.384 0.028 10 0 DCAERM COC[C@H](C)Nc1nc[n-]c(=O)c1I ZINC000162616786 396082111 /nfs/dbraw/zinc/08/21/11/396082111.db2.gz DWCJNCRHXGOYPV-YFKPBYRVSA-N -1 0 309.107 0.821 10 0 DCAERM CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cn1 ZINC000263227688 396206847 /nfs/dbraw/zinc/20/68/47/396206847.db2.gz QDUBDTLBVPPXCJ-ONGXEEELSA-N -1 0 301.368 0.777 10 0 DCAERM C[C@@]1(C(N)=O)CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000262527148 396151211 /nfs/dbraw/zinc/15/12/11/396151211.db2.gz PAEKSOZULYRWAU-OAHLLOKOSA-N -1 0 305.334 0.792 10 0 DCAERM COc1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])cc1-n1cnnn1 ZINC000262933600 396193236 /nfs/dbraw/zinc/19/32/36/396193236.db2.gz KIGQSZRYBYVVNS-VIFPVBQESA-N -1 0 319.321 0.654 10 0 DCAERM CCCOc1nc(C)ccc1C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000190239216 396403630 /nfs/dbraw/zinc/40/36/30/396403630.db2.gz NHKXFRDRLWTPEH-UHFFFAOYSA-N -1 0 319.365 0.953 10 0 DCAERM O=C([O-])C1=CN=C2C=CC(I)=CN2[C@@H]1O ZINC000585656181 396648090 /nfs/dbraw/zinc/64/80/90/396648090.db2.gz QFWCABSBKQKUGA-MRVPVSSYSA-N -1 0 318.070 0.834 10 0 DCAERM COc1cccc(CCC(=O)NC2(c3nnn[n-]3)CC2)c1OC ZINC000584695322 396614942 /nfs/dbraw/zinc/61/49/42/396614942.db2.gz SGRGCCNAAAOWFF-UHFFFAOYSA-N -1 0 317.349 0.955 10 0 DCAERM Cn1cc(N2[C@@H](C(=O)[O-])CC[C@@H]2C(=O)NC2(C3CC3)CC2)cn1 ZINC000630663760 397074669 /nfs/dbraw/zinc/07/46/69/397074669.db2.gz CWWMWBCSOGGSEK-CHWSQXEVSA-N -1 0 318.377 0.901 10 0 DCAERM CCc1nc(CNC(=O)N(CCOC)CC(=O)[O-])cs1 ZINC000380852800 397271556 /nfs/dbraw/zinc/27/15/56/397271556.db2.gz TYLNIKKHEPIZNT-UHFFFAOYSA-N -1 0 301.368 0.948 10 0 DCAERM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(O)cc1O ZINC000365826271 397321336 /nfs/dbraw/zinc/32/13/36/397321336.db2.gz ZOSJPPVMYBBKIB-ZDUSSCGKSA-N -1 0 320.345 0.608 10 0 DCAERM CCOC(=O)CC[C@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-] ZINC000579793347 397593020 /nfs/dbraw/zinc/59/30/20/397593020.db2.gz XXGRSADGXIBFJL-ZJUUUORDSA-N -1 0 322.383 0.102 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)c[nH]1 ZINC000604972698 397657652 /nfs/dbraw/zinc/65/76/52/397657652.db2.gz SUZUYYBWLROEMW-UHFFFAOYSA-N -1 0 306.347 0.805 10 0 DCAERM CC(C)C[C@@H](CNC(=O)N[C@@H](C(N)=O)C(C)(C)C)C(=O)[O-] ZINC000263070763 158855483 /nfs/dbraw/zinc/85/54/83/158855483.db2.gz PIIZXJDHEMTYND-UWVGGRQHSA-N -1 0 301.387 0.933 10 0 DCAERM CC[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000367482075 159341007 /nfs/dbraw/zinc/34/10/07/159341007.db2.gz ZVRTYBNWCYJLSI-UWVGGRQHSA-N -1 0 304.368 0.022 10 0 DCAERM CC1(C)c2ccc(C(=O)[N-]S(=O)(=O)C3COC3)cc2NC1=O ZINC000408148054 160047825 /nfs/dbraw/zinc/04/78/25/160047825.db2.gz KFRFKSWYAZKYQE-UHFFFAOYSA-N -1 0 324.358 0.375 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000408193993 160056910 /nfs/dbraw/zinc/05/69/10/160056910.db2.gz VKHWQSZLVVFEDE-NSHDSACASA-N -1 0 318.782 0.476 10 0 DCAERM O=C1NCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000408213080 160061436 /nfs/dbraw/zinc/06/14/36/160061436.db2.gz CMZFYEWSBUWJIQ-ZCFIWIBFSA-N -1 0 323.168 0.599 10 0 DCAERM Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1C ZINC000408225997 160063753 /nfs/dbraw/zinc/06/37/53/160063753.db2.gz ZDBPQEAHVWFXAK-SECBINFHSA-N -1 0 304.393 0.192 10 0 DCAERM Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)nn1C ZINC000408255059 160070695 /nfs/dbraw/zinc/07/06/95/160070695.db2.gz QIUHJPAXFWFUFK-SNVBAGLBSA-N -1 0 301.368 0.215 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408390213 160098487 /nfs/dbraw/zinc/09/84/87/160098487.db2.gz SDWWZVIRUPNQBF-OPRDCNLKSA-N -1 0 300.336 0.521 10 0 DCAERM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000408451332 160111183 /nfs/dbraw/zinc/11/11/83/160111183.db2.gz LTZYJKYGGVAXKV-SECBINFHSA-N -1 0 304.393 0.274 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)C1(c2cccnc2)CCCC1 ZINC000408474962 160116380 /nfs/dbraw/zinc/11/63/80/160116380.db2.gz ACIHHBDXLBSKJR-UHFFFAOYSA-N -1 0 310.375 0.738 10 0 DCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)CC2CCCCC2)CCC(=O)NC1 ZINC000408478859 160116990 /nfs/dbraw/zinc/11/69/90/160116990.db2.gz KYFHDSIYGKMMMW-CQSZACIVSA-N -1 0 316.423 0.929 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)c2nc(C)c(C)nc2C)cnn1C ZINC000408477384 160117058 /nfs/dbraw/zinc/11/70/58/160117058.db2.gz AKMYRJZLOOWINQ-UHFFFAOYSA-N -1 0 323.378 0.562 10 0 DCAERM CC(C)[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408483029 160117659 /nfs/dbraw/zinc/11/76/59/160117659.db2.gz JGYFCLWPLHZYLQ-KOLCDFICSA-N -1 0 301.368 0.286 10 0 DCAERM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)cn1 ZINC000408482628 160117783 /nfs/dbraw/zinc/11/77/83/160117783.db2.gz KZQHLEUBKSMQFB-YUSALJHKSA-N -1 0 312.347 0.320 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000408479935 160117808 /nfs/dbraw/zinc/11/78/08/160117808.db2.gz VAHHUOXGNYTVNS-DZGCQCFKSA-N -1 0 307.371 0.735 10 0 DCAERM C[C@H]1Cc2cccc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)c2O1 ZINC000408481174 160117933 /nfs/dbraw/zinc/11/79/33/160117933.db2.gz FGIWNYPRFGZQBR-ONGXEEELSA-N -1 0 311.359 0.859 10 0 DCAERM Cn1ncc(CCC(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)n1 ZINC000408491516 160118962 /nfs/dbraw/zinc/11/89/62/160118962.db2.gz AQDKYICNQPUVTO-JFGNBEQYSA-N -1 0 312.395 0.382 10 0 DCAERM O=C([N-]S(=O)(=O)CCC1CCCCC1)[C@@H]1CNC(=O)C1 ZINC000408499163 160119677 /nfs/dbraw/zinc/11/96/77/160119677.db2.gz NZGLAEPMBZODES-NSHDSACASA-N -1 0 302.396 0.539 10 0 DCAERM CO[C@@]1(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCOC1 ZINC000408500198 160119733 /nfs/dbraw/zinc/11/97/33/160119733.db2.gz PLKZSAAPHXEYLE-BLFANLJRSA-N -1 0 303.380 0.427 10 0 DCAERM CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000408500196 160119788 /nfs/dbraw/zinc/11/97/88/160119788.db2.gz WJYNVGXGMKJFSP-VIFPVBQESA-N -1 0 300.380 0.386 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc(F)cn1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408505565 160120583 /nfs/dbraw/zinc/12/05/83/160120583.db2.gz ZQJQBOMHLFTVIR-FBIMIBRVSA-N -1 0 300.311 0.451 10 0 DCAERM CCC[C@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000132865456 287007574 /nfs/dbraw/zinc/00/75/74/287007574.db2.gz JTRUMEAXCJTGQA-LBPRGKRZSA-N -1 0 314.345 0.664 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)C1 ZINC000090932999 415529936 /nfs/dbraw/zinc/52/99/36/415529936.db2.gz CLEZAURVQBBTNE-QMMMGPOBSA-N -1 0 319.408 0.908 10 0 DCAERM O=C([O-])CN(CC(F)(F)F)S(=O)(=O)C[C@@H]1CCCO1 ZINC000092436390 415539200 /nfs/dbraw/zinc/53/92/00/415539200.db2.gz MHKGINAFVYBMCZ-ZETCQYMHSA-N -1 0 305.274 0.444 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](NC(=O)N2CCC(OCCO)CC2)C1 ZINC000129159151 415906123 /nfs/dbraw/zinc/90/61/23/415906123.db2.gz MGOMQOVQFJQCMX-WDEREUQCSA-N -1 0 300.355 0.423 10 0 DCAERM C[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)CC(=O)[O-] ZINC000147290013 415961787 /nfs/dbraw/zinc/96/17/87/415961787.db2.gz WXBQZBLFWAAWGB-MRVPVSSYSA-N -1 0 300.336 0.175 10 0 DCAERM O=c1nc(CN2CC[C@H](N3CCOCC3)C2)[n-]c2ccsc21 ZINC000173993794 416069710 /nfs/dbraw/zinc/06/97/10/416069710.db2.gz DPDSSRRFHMMTDV-NSHDSACASA-N -1 0 320.418 0.891 10 0 DCAERM CCC(CC)N1C[C@H](C(=O)NC2(c3nnn[n-]3)CC2)CC1=O ZINC000357076929 416029993 /nfs/dbraw/zinc/02/99/93/416029993.db2.gz NDAIINUVHXOEJU-SECBINFHSA-N -1 0 306.370 0.342 10 0 DCAERM CCNC(=O)C1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000175557775 416109074 /nfs/dbraw/zinc/10/90/74/416109074.db2.gz IBEDHWNFLRVAHZ-UHFFFAOYSA-N -1 0 300.318 0.131 10 0 DCAERM CNC(=O)[C@H](NS(=O)(=O)c1sc(C)nc1C)C(C)C ZINC000178925606 416177474 /nfs/dbraw/zinc/17/74/74/416177474.db2.gz BKPRKCVCCQVSDE-SECBINFHSA-N -1 0 305.425 0.809 10 0 DCAERM O=C(CNC(=O)c1nc2ccccc2c(=O)[nH]1)NCC1CC1 ZINC000180076252 416193826 /nfs/dbraw/zinc/19/38/26/416193826.db2.gz JSSXEIGSAVWQGA-UHFFFAOYSA-N -1 0 300.318 0.179 10 0 DCAERM C[C@@]1(C(N)=O)CCCCN1CC(=O)[N-]OCc1ccccc1 ZINC000185974301 416255014 /nfs/dbraw/zinc/25/50/14/416255014.db2.gz TVVOHGXQPLTMKT-INIZCTEOSA-N -1 0 305.378 0.964 10 0 DCAERM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000583621896 416480624 /nfs/dbraw/zinc/48/06/24/416480624.db2.gz NCUHXDOXCGQDGO-RYUDHWBXSA-N -1 0 321.360 0.345 10 0 DCAERM CC(C)Nc1ncccc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000439149634 416608162 /nfs/dbraw/zinc/60/81/62/416608162.db2.gz CNSYAIDFEKIISP-UHFFFAOYSA-N -1 0 324.366 0.676 10 0 DCAERM CC(C)[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)c1cccnc1 ZINC000437387142 416583378 /nfs/dbraw/zinc/58/33/78/416583378.db2.gz QPAUJBSEYAFMCU-SNVBAGLBSA-N -1 0 323.378 0.982 10 0 DCAERM COc1ccc2c(c1)OC[C@@H]2CC(=O)NC1(c2nnn[n-]2)CC1 ZINC000558715448 416790544 /nfs/dbraw/zinc/79/05/44/416790544.db2.gz UKOSNODMCIWLFJ-VIFPVBQESA-N -1 0 315.333 0.880 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000518058459 416835608 /nfs/dbraw/zinc/83/56/08/416835608.db2.gz JLTCJKNBCVTVMY-WZRBSPASSA-N -1 0 318.395 0.139 10 0 DCAERM C[C@H]1CCC[C@@H](OCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000522139939 417049395 /nfs/dbraw/zinc/04/93/95/417049395.db2.gz AVSQIWNZPGZZDT-DTWKUNHWSA-N -1 0 316.383 0.742 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCOCC[C@@H]1c1nnn[n-]1 ZINC000616596911 417082875 /nfs/dbraw/zinc/08/28/75/417082875.db2.gz DUKCEKWEMVBKSH-LLVKDONJSA-N -1 0 309.351 0.352 10 0 DCAERM O=S(=O)(c1ccccc1)N1CCOCC[C@H]1c1nnn[n-]1 ZINC000616597018 417083957 /nfs/dbraw/zinc/08/39/57/417083957.db2.gz DUKCEKWEMVBKSH-NSHDSACASA-N -1 0 309.351 0.352 10 0 DCAERM CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2nnn[n-]2)CC1 ZINC000616666130 417091137 /nfs/dbraw/zinc/09/11/37/417091137.db2.gz HVJRMACHCPUGCN-SNVBAGLBSA-N -1 0 312.374 0.488 10 0 DCAERM O=C([O-])C1CN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000621830637 417310313 /nfs/dbraw/zinc/31/03/13/417310313.db2.gz RJUBBNHTRVHHNV-UHFFFAOYSA-N -1 0 303.116 0.398 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOC(C)C ZINC000643971920 417427140 /nfs/dbraw/zinc/42/71/40/417427140.db2.gz GLDNXMOOPLVIMG-GFCCVEGCSA-N -1 0 309.384 0.307 10 0 DCAERM CCO[C@H]1C[C@](NC(=O)NCCn2cccn2)(C(=O)[O-])C1(C)C ZINC000520788224 272522909 /nfs/dbraw/zinc/52/29/09/272522909.db2.gz ACDSRCGXTZGVFK-NHYWBVRUSA-N -1 0 324.381 0.841 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000542857630 287951307 /nfs/dbraw/zinc/95/13/07/287951307.db2.gz AGWCEWDDYKNHTJ-SNVBAGLBSA-N -1 0 313.379 0.641 10 0 DCAERM CC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000262257582 278019455 /nfs/dbraw/zinc/01/94/55/278019455.db2.gz QMIAJMDZUTVPCC-HEHGZKQESA-N -1 0 308.378 0.958 10 0 DCAERM Cc1cc(F)ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000548533122 288151049 /nfs/dbraw/zinc/15/10/49/288151049.db2.gz AIDPKZYOIMSLPT-CABZTGNLSA-N -1 0 317.338 0.902 10 0 DCAERM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000548564746 288155211 /nfs/dbraw/zinc/15/52/11/288155211.db2.gz BJPWVYIQLBMNLK-UHFFFAOYSA-N -1 0 314.363 0.765 10 0 DCAERM COCc1ncsc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000550321768 288215306 /nfs/dbraw/zinc/21/53/06/288215306.db2.gz UTBWIEAPGFDUIP-QMMMGPOBSA-N -1 0 308.367 0.822 10 0 DCAERM CCC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263319207 281939453 /nfs/dbraw/zinc/93/94/53/281939453.db2.gz QVVGKSKGHAXCPX-UWVGGRQHSA-N -1 0 316.379 0.000 10 0 DCAERM CC(C)C[C@@H](CNC(=O)NC[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000564840007 288775134 /nfs/dbraw/zinc/77/51/34/288775134.db2.gz KBKRHGJSWOBTPY-UWVGGRQHSA-N -1 0 308.400 0.466 10 0 DCAERM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262890183 290569709 /nfs/dbraw/zinc/56/97/09/290569709.db2.gz ABRRJZRQPOZFRD-MEQWQQMJSA-N -1 0 323.393 0.797 10 0 DCAERM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408188240 295540388 /nfs/dbraw/zinc/54/03/88/295540388.db2.gz RYADGDSVTSDDMV-VHRBIJSZSA-N -1 0 324.402 0.901 10 0 DCAERM Cn1nccc1S(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000252879324 303068866 /nfs/dbraw/zinc/06/88/66/303068866.db2.gz YTDRXMKWVCTINT-MXWKQRLJSA-N -1 0 313.379 0.827 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000164867191 521858320 /nfs/dbraw/zinc/85/83/20/521858320.db2.gz SNPFVNRLYCCMGH-UHFFFAOYSA-N -1 0 314.363 0.435 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)[C@H](C)CO ZINC000163184477 522396038 /nfs/dbraw/zinc/39/60/38/522396038.db2.gz SQICBKJRJGMSQY-RQJHMYQMSA-N -1 0 308.381 0.225 10 0 DCAERM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000183567263 528739174 /nfs/dbraw/zinc/73/91/74/528739174.db2.gz UTIZOCUNLWQNKK-QWRGUYRKSA-N -1 0 315.395 0.912 10 0 DCAERM COCCN1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1=O ZINC000091982477 545720527 /nfs/dbraw/zinc/72/05/27/545720527.db2.gz CUFKPOUGCKACRI-UHFFFAOYSA-N -1 0 314.288 0.601 10 0 DCAERM C[C@H](O)C(=O)N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000133134575 545796755 /nfs/dbraw/zinc/79/67/55/545796755.db2.gz SCFNJBBBHCBREZ-QMMMGPOBSA-N -1 0 314.288 0.336 10 0 DCAERM C[C@]1(O)CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000163441832 545874648 /nfs/dbraw/zinc/87/46/48/545874648.db2.gz BJANCNNUHFSVNH-ZDUSSCGKSA-N -1 0 300.355 0.424 10 0 DCAERM CC(C)[C@@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000236601362 545950919 /nfs/dbraw/zinc/95/09/19/545950919.db2.gz FYPBTRJAPFNBSJ-GFCCVEGCSA-N -1 0 306.322 0.112 10 0 DCAERM CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C(=O)[O-])C1 ZINC000675058523 547658733 /nfs/dbraw/zinc/65/87/33/547658733.db2.gz JVVJJSONLLTUBZ-PELKAZGASA-N -1 0 305.352 0.353 10 0 DCAERM [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000034349835 571751445 /nfs/dbraw/zinc/75/14/45/571751445.db2.gz PEEAINPHPNDNGE-CMPLNLGQSA-N -1 0 319.317 0.082 10 0 endogenous,in-man DCAERM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000181312816 665532597 /nfs/dbraw/zinc/53/25/97/665532597.db2.gz LQARQLKHUAMCNV-UHFFFAOYSA-N -1 0 302.352 0.618 10 0 DCAERM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)C(C)(C)OC ZINC000179267834 658439184 /nfs/dbraw/zinc/43/91/84/658439184.db2.gz FRAHGYUBJRZKBE-UHFFFAOYSA-N -1 0 317.411 0.775 10 0 DCAERM CSCCC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262179893 658680468 /nfs/dbraw/zinc/68/04/68/658680468.db2.gz XNFFALJMFUTZJV-UHFFFAOYSA-N -1 0 302.396 0.521 10 0 DCAERM CC(C)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000186981308 659292416 /nfs/dbraw/zinc/29/24/16/659292416.db2.gz MZYRHZFVNGWLAH-ZJUUUORDSA-N -1 0 313.379 0.221 10 0 DCAERM CC[C@](C)(NC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)[O-] ZINC000262437117 662385538 /nfs/dbraw/zinc/38/55/38/662385538.db2.gz NHZCKFXBEVRVHK-INIZCTEOSA-N -1 0 317.345 0.846 10 0 DCAERM CCNS(=O)(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262898710 662595981 /nfs/dbraw/zinc/59/59/81/662595981.db2.gz MCMVGHGGGKFOMF-LBPRGKRZSA-N -1 0 300.380 0.906 10 0 DCAERM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000263363269 662680036 /nfs/dbraw/zinc/68/00/36/662680036.db2.gz ZACNUHYHXHDKMV-PRJMDXOYSA-N -1 0 308.256 0.377 10 0 DCAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cn2ccnc2s1 ZINC000190848503 664518201 /nfs/dbraw/zinc/51/82/01/664518201.db2.gz MRZKSKILHKHXRP-QMMMGPOBSA-N -1 0 315.376 0.634 10 0 DCAERM Cn1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])nn1 ZINC000226853926 664522490 /nfs/dbraw/zinc/52/24/90/664522490.db2.gz VFSHKIBEVMTFSA-LBPRGKRZSA-N -1 0 304.306 0.737 10 0 DCAERM Cc1csc([C@@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC000730544510 664791480 /nfs/dbraw/zinc/79/14/80/664791480.db2.gz UWZILCSIFQRRAD-MRVPVSSYSA-N -1 0 318.362 0.714 10 0 DCAERM O=C([N-]N1CC(=O)NC1=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000174998480 665310978 /nfs/dbraw/zinc/31/09/78/665310978.db2.gz FPWBUAZWOHWPPC-UHFFFAOYSA-N -1 0 321.243 0.347 10 0 DCAERM COCCCCS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000184566429 666233590 /nfs/dbraw/zinc/23/35/90/666233590.db2.gz BANPATNTQCCJLC-UHFFFAOYSA-N -1 0 315.395 0.706 10 0 DCAERM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000737352434 667598059 /nfs/dbraw/zinc/59/80/59/667598059.db2.gz JVROZISBRRXACJ-SECBINFHSA-N -1 0 305.377 0.238 10 0 DCAERM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000737351274 667598114 /nfs/dbraw/zinc/59/81/14/667598114.db2.gz FVYMRNHTKDMRLB-VIFPVBQESA-N -1 0 321.358 0.934 10 0 DCAERM CC(C)c1nc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC000886071974 667728762 /nfs/dbraw/zinc/72/87/62/667728762.db2.gz SMUONEOPFFGCMD-OAHLLOKOSA-N -1 0 324.381 0.554 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)nc1C ZINC000193684933 670330716 /nfs/dbraw/zinc/33/07/16/670330716.db2.gz KWLLLWKOGHZTCY-UHFFFAOYSA-N -1 0 319.346 0.597 10 0 DCAERM Cn1nc(C(=O)[O-])cc1CNOCCNC(=O)OC(C)(C)C ZINC000757179846 670357912 /nfs/dbraw/zinc/35/79/12/670357912.db2.gz MWYDBALZLQOMIS-UHFFFAOYSA-N -1 0 314.342 0.664 10 0 DCAERM Cn1cc(Br)c(CNC(=O)NC(C)(C)C(=O)[O-])n1 ZINC000393356358 685263178 /nfs/dbraw/zinc/26/31/78/685263178.db2.gz UVVVMUVMOXMQPE-UHFFFAOYSA-N -1 0 319.159 0.845 10 0 DCAERM COCCN(CC(=O)[O-])C(=O)NC[C@]1(OC)CCSC1 ZINC000719232075 685309514 /nfs/dbraw/zinc/30/95/14/685309514.db2.gz WZNXYPWPXAQWIT-GFCCVEGCSA-N -1 0 306.384 0.251 10 0 DCAERM CCCC[C@H](NS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC)C(=O)[O-] ZINC000263457614 1157794922 /nfs/dbraw/zinc/79/49/22/1157794922.db2.gz CPAKMFGZFYKRCI-OUAUKWLOSA-N -1 0 321.395 0.891 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCOC1(C)C ZINC000328264600 1157795601 /nfs/dbraw/zinc/79/56/01/1157795601.db2.gz SXPQGSXBBUJFHD-ZETCQYMHSA-N -1 0 320.392 0.776 10 0 DCAERM O=C([O-])CCCCNC(=O)CCn1nc2ccccn2c1=O ZINC000238173841 1181803967 /nfs/dbraw/zinc/80/39/67/1181803967.db2.gz PNBZHHMOZMLHJA-UHFFFAOYSA-N -1 0 306.322 0.257 10 0 DCAERM C[C@]1(c2cccc(C[N-]C(=O)C(F)(F)F)c2)NC(=O)NC1=O ZINC000171306978 1183722417 /nfs/dbraw/zinc/72/24/17/1183722417.db2.gz HWUCNBDUXVRWKK-GFCCVEGCSA-N -1 0 315.251 0.920 10 0 DCAERM COc1ccc(OCC(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000261651389 1184651713 /nfs/dbraw/zinc/65/17/13/1184651713.db2.gz JRSIDULDOKWIJD-CHWSQXEVSA-N -1 0 309.318 0.775 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000261692304 1184812356 /nfs/dbraw/zinc/81/23/56/1184812356.db2.gz NKKPFAGLSXQLNA-WDEREUQCSA-N -1 0 307.302 0.772 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000262086038 1185160288 /nfs/dbraw/zinc/16/02/88/1185160288.db2.gz BXUPNLMPYXUDDP-RYUDHWBXSA-N -1 0 321.329 0.701 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnn3ccc(C)nc23)C1 ZINC000262154417 1185162686 /nfs/dbraw/zinc/16/26/86/1185162686.db2.gz OAMOMHFCYFCAKH-KOLCDFICSA-N -1 0 304.306 0.352 10 0 DCAERM CCS[C@@H](C(=O)NCc1cn(CC(=O)[O-])nn1)C(C)C ZINC000262855838 1185173845 /nfs/dbraw/zinc/17/38/45/1185173845.db2.gz YAMHVCBLNWKEJM-LLVKDONJSA-N -1 0 300.384 0.757 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCOC2CCOCC2)C1 ZINC000263003885 1185175343 /nfs/dbraw/zinc/17/53/43/1185175343.db2.gz VMOZBLIOCDNYQM-NEPJUHHUSA-N -1 0 301.339 0.273 10 0 DCAERM C[C@H](CCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC000392864452 1190701319 /nfs/dbraw/zinc/70/13/19/1190701319.db2.gz LTLVMSQFTDWWIZ-ZJUUUORDSA-N -1 0 306.384 0.316 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCSC[C@@H]2CCO)C1 ZINC000689276861 954651874 /nfs/dbraw/zinc/65/18/74/954651874.db2.gz RFUSPSOFAIIIFG-VWYCJHECSA-N -1 0 302.396 0.749 10 0 DCAERM Cn1ncc(Br)c1C(=O)NCCOCC(=O)[O-] ZINC000693061479 954727867 /nfs/dbraw/zinc/72/78/67/954727867.db2.gz MLRZKDKRNLCQHZ-UHFFFAOYSA-N -1 0 306.116 0.014 10 0 DCAERM CCS(=O)(=O)C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC000693480960 954761439 /nfs/dbraw/zinc/76/14/39/954761439.db2.gz LNBVUZIJZPEARR-DTORHVGOSA-N -1 0 304.368 0.116 10 0 DCAERM CN(CC(F)(F)Br)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000694802749 968951990 /nfs/dbraw/zinc/95/19/90/968951990.db2.gz OEIYFWQCEADKIB-LURJTMIESA-N -1 0 315.114 0.591 10 0 DCAERM COCC(COC)S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000688584615 976187018 /nfs/dbraw/zinc/18/70/18/976187018.db2.gz JNPMAWXTOLEQBB-WDEREUQCSA-N -1 0 309.384 0.211 10 0 DCAERM CN(CCNS(C)(=O)=O)C(=O)c1ccc(C(=O)[O-])s1 ZINC000689689449 976260283 /nfs/dbraw/zinc/26/02/83/976260283.db2.gz LXMPUCYNEXLJQA-UHFFFAOYSA-N -1 0 306.365 0.068 10 0 DCAERM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CO[C@H](C3CC3)C2)c[nH]1 ZINC000691316271 976353477 /nfs/dbraw/zinc/35/34/77/976353477.db2.gz HIGZIPLUOCNIFV-KCJUWKMLSA-N -1 0 300.336 0.559 10 0 DCAERM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C[C@H](C)O)C1CC1 ZINC000691516547 976362096 /nfs/dbraw/zinc/36/20/96/976362096.db2.gz XDBNVPJCIIRMNZ-ZETCQYMHSA-N -1 0 303.336 0.820 10 0 DCAERM CN(C(=O)N[C@@H]1CCCS(=O)(=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693029206 976571676 /nfs/dbraw/zinc/57/16/76/976571676.db2.gz ACUWLZKRGBLYQS-BBBLOLIVSA-N -1 0 304.368 0.068 10 0 DCAERM Cn1ncc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1Cl ZINC000694099917 976666721 /nfs/dbraw/zinc/66/67/21/976666721.db2.gz NLNCKVPCLOWTGM-ZETCQYMHSA-N -1 0 302.718 0.781 10 0 DCAERM CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694187364 976677812 /nfs/dbraw/zinc/67/78/12/976677812.db2.gz ADAONTJZMHTHAH-NXEZZACHSA-N -1 0 303.336 0.902 10 0 DCAERM C[C@@H](CCNS(=O)(=O)c1cc(C(=O)[O-])co1)[S@](C)=O ZINC000694213534 976683570 /nfs/dbraw/zinc/68/35/70/976683570.db2.gz XPPZVBFJUQQBPL-VIIUKITBSA-N -1 0 309.365 0.413 10 0 DCAERM CCCN(CC(=O)OC)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211699 976684102 /nfs/dbraw/zinc/68/41/02/976684102.db2.gz LIORDMQQCRNYOP-UHFFFAOYSA-N -1 0 305.308 0.552 10 0 DCAERM CC(C)N(C)S(=O)(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000698714813 976901594 /nfs/dbraw/zinc/90/15/94/976901594.db2.gz NUDKEDORBJKBCU-UHFFFAOYSA-N -1 0 304.372 0.700 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1CCS(=O)(=O)C1CCCCC1 ZINC000699997946 976931646 /nfs/dbraw/zinc/93/16/46/976931646.db2.gz KMCWPXUGMSUBIQ-JQWIXIFHSA-N -1 0 305.396 0.254 10 0 DCAERM CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000005639328 181267518 /nfs/dbraw/zinc/26/75/18/181267518.db2.gz UKWOISDEPIVXRB-KGLIPLIRSA-N -1 0 304.346 0.809 10 0 DCAERM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)N1CCS(=O)(=O)CC1 ZINC000165396319 291248078 /nfs/dbraw/zinc/24/80/78/291248078.db2.gz SCMFOCHWYZPIPK-CABZTGNLSA-N -1 0 304.368 0.070 10 0 DCAERM CC(C)(NC(=O)NCCCc1nnc2ccccn21)C(=O)[O-] ZINC000566756759 291322361 /nfs/dbraw/zinc/32/23/61/291322361.db2.gz UBZUPEWQHUZHDS-UHFFFAOYSA-N -1 0 305.338 0.824 10 0 DCAERM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)N1CCCC[C@H]1C ZINC000267558053 296108527 /nfs/dbraw/zinc/10/85/27/296108527.db2.gz FTLPDFJUNSGKEC-NXEZZACHSA-N -1 0 322.365 0.005 10 0 DCAERM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1ccsc1 ZINC000285259009 304151027 /nfs/dbraw/zinc/15/10/27/304151027.db2.gz VEMPFLOFSQJMAJ-JTQLQIEISA-N -1 0 313.360 0.671 10 0 DCAERM O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)N1CCOCC1 ZINC000021517375 304153604 /nfs/dbraw/zinc/15/36/04/304153604.db2.gz GSQFDNCFDPCIEX-LBPRGKRZSA-N -1 0 312.347 0.079 10 0 DCAERM CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000094705254 193393221 /nfs/dbraw/zinc/39/32/21/193393221.db2.gz JVTAVGCSRKMTOW-GHMZBOCLSA-N -1 0 320.411 0.562 10 0 DCAERM CSCC[C@@H](NC(N)=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000094702618 193392687 /nfs/dbraw/zinc/39/26/87/193392687.db2.gz SGQUMIJROVATHL-VHSXEESVSA-N -1 0 319.427 0.640 10 0 DCAERM C[C@H](O)[C@@H](NC(=O)c1cc(Br)cn1C)C(=O)[O-] ZINC000020214049 182198163 /nfs/dbraw/zinc/19/81/63/182198163.db2.gz OAJJUZFGFWPZHS-YLWLKBPMSA-N -1 0 305.128 0.351 10 0 DCAERM CC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000020552037 182230690 /nfs/dbraw/zinc/23/06/90/182230690.db2.gz GJCNGTVQFCXQQL-LDYMZIIASA-N -1 0 301.320 0.002 10 0 DCAERM NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000022141177 182310699 /nfs/dbraw/zinc/31/06/99/182310699.db2.gz AAAJATMVBLXUJL-MRVPVSSYSA-N -1 0 315.123 0.508 10 0 DCAERM COCCN([C@H]1CCSC1)S(=O)(=O)CCCC(=O)[O-] ZINC000037837006 182930154 /nfs/dbraw/zinc/93/01/54/182930154.db2.gz MJYYARFXRHKDCD-JTQLQIEISA-N -1 0 311.425 0.635 10 0 DCAERM C[C@@H](CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000042703066 183298943 /nfs/dbraw/zinc/29/89/43/183298943.db2.gz IGVXUBBKPMQRGN-QMMMGPOBSA-N -1 0 312.347 0.522 10 0 DCAERM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043509542 183368888 /nfs/dbraw/zinc/36/88/88/183368888.db2.gz PRJNQAJNUYLFKJ-AMIZOPFISA-N -1 0 302.396 0.614 10 0 DCAERM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(C)C[C@H]1CCCO1 ZINC000104885567 194050145 /nfs/dbraw/zinc/05/01/45/194050145.db2.gz OSNJFOVSJDNHBG-GFCCVEGCSA-N -1 0 318.377 0.819 10 0 DCAERM CCc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])s1 ZINC000048440788 183659281 /nfs/dbraw/zinc/65/92/81/183659281.db2.gz OUEBGZNZIBWGKE-MRVPVSSYSA-N -1 0 320.392 0.308 10 0 DCAERM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCc1ccnn1C ZINC000109420471 395798205 /nfs/dbraw/zinc/79/82/05/395798205.db2.gz ZIUIRKGBAXDADG-UHFFFAOYSA-N -1 0 315.376 0.967 10 0 DCAERM COCC[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000052785868 395869481 /nfs/dbraw/zinc/86/94/81/395869481.db2.gz UEBOJZACWFXQAF-SNVBAGLBSA-N -1 0 309.290 0.733 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCC[C@@H](O)C1 ZINC000134680110 395933621 /nfs/dbraw/zinc/93/36/21/395933621.db2.gz HEQCNROTFWEOEJ-JGVFFNPUSA-N -1 0 320.392 0.512 10 0 DCAERM O=C(NCCN1CCCS1(=O)=O)c1c([O-])cc(F)cc1F ZINC000061637442 395969624 /nfs/dbraw/zinc/96/96/24/395969624.db2.gz HYAHUQSANBCGGB-UHFFFAOYSA-N -1 0 320.317 0.436 10 0 DCAERM CC(C)CN(CC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000062744063 395973727 /nfs/dbraw/zinc/97/37/27/395973727.db2.gz JCXGNIFQWXEMRM-JTQLQIEISA-N -1 0 306.384 0.268 10 0 DCAERM CC(C)(C)C(=O)N[N-]C(=O)c1nc(Br)cnc1N ZINC000072967961 396139947 /nfs/dbraw/zinc/13/99/47/396139947.db2.gz UQELSASGYKYYDA-UHFFFAOYSA-N -1 0 316.159 0.628 10 0 DCAERM O=C([O-])C1(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000263186187 396205407 /nfs/dbraw/zinc/20/54/07/396205407.db2.gz WXXJSXPWFPSRGQ-UHFFFAOYSA-N -1 0 317.750 0.847 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(OC)ccc2O)C1 ZINC000262687501 396172594 /nfs/dbraw/zinc/17/25/94/396172594.db2.gz BAZGHCOPMWDXEG-OAHLLOKOSA-N -1 0 309.318 0.964 10 0 DCAERM Cc1ccn2ncc(C(=O)N[C@@H](C(=O)[O-])[C@H]3CCCOC3)c2n1 ZINC000262776008 396180821 /nfs/dbraw/zinc/18/08/21/396180821.db2.gz LUEDWRPRNIYXJF-CMPLNLGQSA-N -1 0 318.333 0.647 10 0 DCAERM COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cncc(O)c1 ZINC000178046367 396188755 /nfs/dbraw/zinc/18/87/55/396188755.db2.gz KJCITQPRSHYSAR-LLVKDONJSA-N -1 0 303.322 0.790 10 0 DCAERM C[C@@H]1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[C@H]1C(=O)[O-] ZINC000299985178 396715178 /nfs/dbraw/zinc/71/51/78/396715178.db2.gz VZTFPQGXXJNTRL-OPRDCNLKSA-N -1 0 304.368 0.020 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000312018876 396763791 /nfs/dbraw/zinc/76/37/91/396763791.db2.gz ULTDXTCPCJVQAE-QMMMGPOBSA-N -1 0 307.759 0.605 10 0 DCAERM CC(=O)c1cc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)n(C)c1 ZINC000630336100 396986219 /nfs/dbraw/zinc/98/62/19/396986219.db2.gz NSLMXQCKWSMXSW-HNNXBMFYSA-N -1 0 308.334 0.839 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)C(F)F ZINC000389704096 397297024 /nfs/dbraw/zinc/29/70/24/397297024.db2.gz WEANFCNBUVIZHA-SCSAIBSYSA-N -1 0 300.308 0.862 10 0 DCAERM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCC[C@H]2COc3ccccc3O2)O1 ZINC000578015785 397379532 /nfs/dbraw/zinc/37/95/32/397379532.db2.gz JAVRGMNSFIASNT-BPNCWPANSA-N -1 0 321.329 0.965 10 0 DCAERM O=C([O-])[C@H]1CCCN(C(=O)CCn2nc3ccccn3c2=O)C1 ZINC000136134265 158341291 /nfs/dbraw/zinc/34/12/91/158341291.db2.gz XUKORQYTKAXMPM-NSHDSACASA-N -1 0 318.333 0.209 10 0 DCAERM O=C([O-])[C@H](NC(=O)c1ccc2nncn2c1)[C@@H]1CCCOC1 ZINC000262763704 158839368 /nfs/dbraw/zinc/83/93/68/158839368.db2.gz KUOFQDJUYUCYOO-ZYHUDNBSSA-N -1 0 304.306 0.339 10 0 DCAERM C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263538402 158885124 /nfs/dbraw/zinc/88/51/24/158885124.db2.gz AWWRETJVUPWSHW-SECBINFHSA-N -1 0 314.363 0.281 10 0 DCAERM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408132945 160044404 /nfs/dbraw/zinc/04/44/04/160044404.db2.gz MWEXWSBLACLAIH-QJPTWQEYSA-N -1 0 305.396 0.817 10 0 DCAERM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)O1 ZINC000408174761 160052715 /nfs/dbraw/zinc/05/27/15/160052715.db2.gz UHNODEGJWSZIMF-DTWKUNHWSA-N -1 0 315.351 0.038 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)c(C)o1 ZINC000408218748 160062322 /nfs/dbraw/zinc/06/23/22/160062322.db2.gz VBTVELDYOCGMLM-JTQLQIEISA-N -1 0 302.352 0.032 10 0 DCAERM Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)nn1C ZINC000408255058 160070519 /nfs/dbraw/zinc/07/05/19/160070519.db2.gz QIUHJPAXFWFUFK-JTQLQIEISA-N -1 0 301.368 0.215 10 0 DCAERM Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC000408348474 160089777 /nfs/dbraw/zinc/08/97/77/160089777.db2.gz BPCAPWVBIHZPHX-NXEZZACHSA-N -1 0 313.379 0.496 10 0 DCAERM Cc1cc2c[nH]nc2c(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000408382960 160096907 /nfs/dbraw/zinc/09/69/07/160096907.db2.gz FXXATQQIDBCGSE-JTQLQIEISA-N -1 0 309.347 0.720 10 0 DCAERM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000408481615 160117587 /nfs/dbraw/zinc/11/75/87/160117587.db2.gz GAOXBMONQUMDTQ-VHSXEESVSA-N -1 0 315.395 0.782 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1 ZINC000408481345 160117700 /nfs/dbraw/zinc/11/77/00/160117700.db2.gz IXJASTQIFJDCAE-SNVBAGLBSA-N -1 0 302.352 0.913 10 0 DCAERM Cn1ncc(CCC(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)n1 ZINC000408491517 160119151 /nfs/dbraw/zinc/11/91/51/160119151.db2.gz AQDKYICNQPUVTO-SCVCMEIPSA-N -1 0 312.395 0.382 10 0 DCAERM CCn1ncc(C(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)n1 ZINC000408493359 160119641 /nfs/dbraw/zinc/11/96/41/160119641.db2.gz LOBVDZKZSWXESI-CBINBANVSA-N -1 0 312.395 0.936 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000408499801 160119789 /nfs/dbraw/zinc/11/97/89/160119789.db2.gz MOLXFOXHHWQMMM-LLVKDONJSA-N -1 0 314.411 0.408 10 0 DCAERM C[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000408502061 160120346 /nfs/dbraw/zinc/12/03/46/160120346.db2.gz YXEPYIOSHFVQRZ-PELKAZGASA-N -1 0 313.331 0.645 10 0 DCAERM COc1cc2c(cc1OC)CCN(C(=O)c1nc(=O)[nH][n-]1)CC2 ZINC000247968685 287095615 /nfs/dbraw/zinc/09/56/15/287095615.db2.gz TYWNJLKRCMPTKA-UHFFFAOYSA-N -1 0 318.333 0.356 10 0 DCAERM CC1(C)CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000083990678 415492842 /nfs/dbraw/zinc/49/28/42/415492842.db2.gz UJAIDDVAOUVQFL-UHFFFAOYSA-N -1 0 324.362 0.587 10 0 DCAERM C[C@H](NS(=O)(=O)c1ccnn1C)c1nc(C(=O)[O-])cs1 ZINC000124157532 415850428 /nfs/dbraw/zinc/85/04/28/415850428.db2.gz NFLAGAZLMCRCIG-LURJTMIESA-N -1 0 316.364 0.614 10 0 DCAERM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cccc2ncnn21 ZINC000357003007 416018819 /nfs/dbraw/zinc/01/88/19/416018819.db2.gz VTNCOKKKJJNLDK-UHFFFAOYSA-N -1 0 322.288 0.663 10 0 DCAERM COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000170775700 416032536 /nfs/dbraw/zinc/03/25/36/416032536.db2.gz JNFPPPDGNXYCII-ZJUUUORDSA-N -1 0 303.274 0.778 10 0 DCAERM CC(C)(C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)c1cccnc1 ZINC000358462619 416240871 /nfs/dbraw/zinc/24/08/71/416240871.db2.gz ZYCHKEGDBPUGMU-UHFFFAOYSA-N -1 0 309.351 0.520 10 0 DCAERM CC(C)CS(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC000262056116 416335981 /nfs/dbraw/zinc/33/59/81/416335981.db2.gz IRNOZZHJOLTHRZ-NEPJUHHUSA-N -1 0 317.407 0.626 10 0 DCAERM COC(=O)CCS(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000228609794 416327955 /nfs/dbraw/zinc/32/79/55/416327955.db2.gz GGJFOIAGGMCPOR-UHFFFAOYSA-N -1 0 301.320 0.714 10 0 DCAERM C[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)N1CCCCCC1 ZINC000439144363 416609143 /nfs/dbraw/zinc/60/91/43/416609143.db2.gz BFSFXEZTIIPWNZ-SECBINFHSA-N -1 0 315.399 0.411 10 0 DCAERM CC(=O)C[C@H]1COCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000632200781 416958630 /nfs/dbraw/zinc/95/86/30/416958630.db2.gz LKJYJALFHSJGQC-NSHDSACASA-N -1 0 317.338 0.900 10 0 DCAERM O=C(CN1CCc2ccccc2C1=O)NC1(c2nnn[n-]2)CC1 ZINC000447584197 417010659 /nfs/dbraw/zinc/01/06/59/417010659.db2.gz DUVUCZBUOLCHLU-UHFFFAOYSA-N -1 0 312.333 0.004 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)N(CC(F)F)C2CC2)C1 ZINC000385935117 417089477 /nfs/dbraw/zinc/08/94/77/417089477.db2.gz OYWPUNGHRIQLGX-QMMMGPOBSA-N -1 0 312.338 0.757 10 0 DCAERM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000530152594 417544921 /nfs/dbraw/zinc/54/49/21/417544921.db2.gz XWTJAWLEUGEGSC-ZYHUDNBSSA-N -1 0 306.384 0.139 10 0 DCAERM O=C([O-])C1(CNC(=O)NCC2CCOCC2)CCOCC1 ZINC000166158899 545877870 /nfs/dbraw/zinc/87/78/70/545877870.db2.gz ZMDLZYOJCRECOL-UHFFFAOYSA-N -1 0 300.355 0.594 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1 ZINC000629309004 417777001 /nfs/dbraw/zinc/77/70/01/417777001.db2.gz QEQXEAPCTJJXDR-IUCAKERBSA-N -1 0 312.338 0.757 10 0 DCAERM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCCCC2(F)F)n[n-]1 ZINC000449834045 271861870 /nfs/dbraw/zinc/86/18/70/271861870.db2.gz JOZHOTPWLINCMC-ZCFIWIBFSA-N -1 0 308.310 0.972 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])C1 ZINC000536989358 287862640 /nfs/dbraw/zinc/86/26/40/287862640.db2.gz IOCJYWOSMNTCEZ-QMMMGPOBSA-N -1 0 302.356 0.507 10 0 DCAERM O=C([O-])[C@@H](NS(=O)(=O)CCCC(F)(F)F)[C@H]1CCOC1 ZINC000548203029 288120695 /nfs/dbraw/zinc/12/06/95/288120695.db2.gz JPQXMPSAVANEPF-YUMQZZPRSA-N -1 0 319.301 0.738 10 0 DCAERM COCCS(=O)(=O)N(Cc1csc(C)n1)[C@@H](C)C(=O)[O-] ZINC000548221863 288122590 /nfs/dbraw/zinc/12/25/90/288122590.db2.gz DHMXIQAGFLLNQR-QMMMGPOBSA-N -1 0 322.408 0.703 10 0 DCAERM CN(C)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000549791415 288205318 /nfs/dbraw/zinc/20/53/18/288205318.db2.gz ILCISMWYFXBESU-LLVKDONJSA-N -1 0 316.365 0.991 10 0 DCAERM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccsc1 ZINC000551995870 288256408 /nfs/dbraw/zinc/25/64/08/288256408.db2.gz WRFSPEIYPRVDDW-VIFPVBQESA-N -1 0 301.349 0.445 10 0 DCAERM CN1CC[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1=O ZINC000555556730 288355199 /nfs/dbraw/zinc/35/51/99/288355199.db2.gz KRXBLIBMXQHEHP-ZJUUUORDSA-N -1 0 307.354 0.085 10 0 DCAERM CC[C@H]1[C@H](C(=O)[O-])CCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000367482077 288375909 /nfs/dbraw/zinc/37/59/09/288375909.db2.gz ZVRTYBNWCYJLSI-ZJUUUORDSA-N -1 0 304.368 0.022 10 0 DCAERM CN1C(=O)C[C@@H](CNC(=O)NCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000263432336 289824747 /nfs/dbraw/zinc/82/47/47/289824747.db2.gz ZDIPNGBMNSEUHS-WFASDCNBSA-N -1 0 319.361 0.980 10 0 DCAERM CO[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)C(=O)[O-] ZINC000263154017 293541828 /nfs/dbraw/zinc/54/18/28/293541828.db2.gz XJKNNMABCCDSCL-MNOVXSKESA-N -1 0 314.382 0.629 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000262083587 293922367 /nfs/dbraw/zinc/92/23/67/293922367.db2.gz BKDLSJYYBMNSCR-IRUJWGPZSA-N -1 0 318.329 0.813 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000261985991 294595093 /nfs/dbraw/zinc/59/50/93/294595093.db2.gz AYKAYEKVWOIJIQ-ONGXEEELSA-N -1 0 320.301 0.332 10 0 DCAERM Cc1cc(N2CCC[C@H]([N-]C(=O)C(F)(F)F)C2=O)n(C)n1 ZINC000174985294 301337517 /nfs/dbraw/zinc/33/75/17/301337517.db2.gz WHVUDZFBXFWQJG-QMMMGPOBSA-N -1 0 304.272 0.902 10 0 DCAERM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547587978 341222639 /nfs/dbraw/zinc/22/26/39/341222639.db2.gz KYIZLGORZRRNNU-UHFFFAOYSA-N -1 0 306.321 0.918 10 0 DCAERM C[C@]1(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CCCO1 ZINC000267953653 525226635 /nfs/dbraw/zinc/22/66/35/525226635.db2.gz IJJCFTDKKIENKB-SECBINFHSA-N -1 0 306.369 0.417 10 0 DCAERM Cc1oc2ncn(CCCN3CCOCC3)c(=O)c2c1C(=O)[O-] ZINC000031892723 526794080 /nfs/dbraw/zinc/79/40/80/526794080.db2.gz LTJUILIQZNTRPB-UHFFFAOYSA-N -1 0 321.333 0.718 10 0 DCAERM O=C([O-])CCCCCNC(=O)CCn1nc2ccccn2c1=O ZINC000238142561 527580290 /nfs/dbraw/zinc/58/02/90/527580290.db2.gz AFSJQMDDEJDKLZ-UHFFFAOYSA-N -1 0 320.349 0.647 10 0 DCAERM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000081905503 545696686 /nfs/dbraw/zinc/69/66/86/545696686.db2.gz CXPABECWYIQSCR-VIFPVBQESA-N -1 0 306.384 0.316 10 0 DCAERM O=C(c1c([O-])cc(F)cc1F)N1CCc2nc[nH]c(=O)c2C1 ZINC000179118995 545897718 /nfs/dbraw/zinc/89/77/18/545897718.db2.gz PVCCRUJVMPXMJF-UHFFFAOYSA-N -1 0 307.256 0.952 10 0 DCAERM CCC[C@@H](NC(=O)c1cc(C)nc2c1c(=O)[nH]n2C)C(=O)[O-] ZINC000185020346 545912563 /nfs/dbraw/zinc/91/25/63/545912563.db2.gz BTIBLGFZPMHYBU-SECBINFHSA-N -1 0 306.322 0.553 10 0 DCAERM O=S(=O)(c1ccccc1[O-])N1CC[C@@H](N2CCOCC2)C1 ZINC000211834030 545937465 /nfs/dbraw/zinc/93/74/65/545937465.db2.gz PJCKCBDIEPNWOO-GFCCVEGCSA-N -1 0 312.391 0.487 10 0 DCAERM C[C@@H]1CN(Cc2nsc(C(=O)[O-])n2)C[C@H](C)S1(=O)=O ZINC000675055163 547657796 /nfs/dbraw/zinc/65/77/96/547657796.db2.gz NVVITHSOYWWOCP-KNVOCYPGSA-N -1 0 305.381 0.244 10 0 DCAERM N#Cc1ccsc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000180243197 665428378 /nfs/dbraw/zinc/42/83/78/665428378.db2.gz ZSVRZNUGGDEBJS-SECBINFHSA-N -1 0 300.361 0.858 10 0 DCAERM C[C@@H](CN=c1nn[n-]n1Cc1ccccc1)N1CCOCC1 ZINC000891755911 657720157 /nfs/dbraw/zinc/72/01/57/657720157.db2.gz MHUJYZOTULYUSR-ZDUSSCGKSA-N -1 0 302.382 0.276 10 0 DCAERM Cc1csc(C)c1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000725092839 658133988 /nfs/dbraw/zinc/13/39/88/658133988.db2.gz XWRXDSXDRZZKGG-SECBINFHSA-N -1 0 305.377 0.839 10 0 DCAERM C[C@@H](CNC(=O)Cc1nn(C)c(=O)c2ccccc12)CC(=O)[O-] ZINC000262182454 658690262 /nfs/dbraw/zinc/69/02/62/658690262.db2.gz QYTLFKJPTBPXDV-SNVBAGLBSA-N -1 0 317.345 0.703 10 0 DCAERM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)CC3CCC3)cc21 ZINC000183703003 659189531 /nfs/dbraw/zinc/18/95/31/659189531.db2.gz OTWTVWQXVSBFAQ-UHFFFAOYSA-N -1 0 308.363 0.828 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C#N)c2)nc1C ZINC000181897646 665690247 /nfs/dbraw/zinc/69/02/47/665690247.db2.gz FQUKWQYTWAAJCP-UHFFFAOYSA-N -1 0 307.335 0.530 10 0 DCAERM CCCC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000222747669 661630692 /nfs/dbraw/zinc/63/06/92/661630692.db2.gz FJPJIRFBOLILDD-DCAQKATOSA-N -1 0 308.400 0.573 10 0 DCAERM COc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1F ZINC000262792644 662581717 /nfs/dbraw/zinc/58/17/17/662581717.db2.gz SAXKQJMNDFKERM-MRVPVSSYSA-N -1 0 303.311 0.930 10 0 DCAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)Cc2cn3ccccc3n2)C1 ZINC000263003833 662613494 /nfs/dbraw/zinc/61/34/94/662613494.db2.gz KZTWZHRJWKGJQP-STQMWFEESA-N -1 0 317.345 0.967 10 0 DCAERM CC(C)S(=O)(=O)CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263436096 662688300 /nfs/dbraw/zinc/68/83/00/662688300.db2.gz LNXKCHINDGHIHL-MNOVXSKESA-N -1 0 305.396 0.959 10 0 DCAERM CCOC(=O)CC1(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000263539958 662713888 /nfs/dbraw/zinc/71/38/88/662713888.db2.gz BZXYLHCDDSXSAU-SNVBAGLBSA-N -1 0 321.395 0.891 10 0 DCAERM C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])C1 ZINC000721255677 663077635 /nfs/dbraw/zinc/07/76/35/663077635.db2.gz OKYBHDGIZICORY-KXNHARMFSA-N -1 0 302.396 0.616 10 0 DCAERM Cn1ncnc1C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000228011659 664542924 /nfs/dbraw/zinc/54/29/24/664542924.db2.gz CAGAHUGZEOBUBD-NSHDSACASA-N -1 0 304.306 0.737 10 0 DCAERM COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000171499014 664609108 /nfs/dbraw/zinc/60/91/08/664609108.db2.gz KHGROBPBJKFUFK-LLVKDONJSA-N -1 0 323.374 0.960 10 0 DCAERM CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)C(F)F)C(=O)[O-] ZINC000232582889 664640306 /nfs/dbraw/zinc/64/03/06/664640306.db2.gz DDNYFKVIMYWNCD-ZCFIWIBFSA-N -1 0 317.310 0.704 10 0 DCAERM Cn1cc(S(=O)(=O)[N-]C(=O)CCCc2ccccn2)cn1 ZINC000179590590 665388912 /nfs/dbraw/zinc/38/89/12/665388912.db2.gz VONYMJPXEFJFPA-UHFFFAOYSA-N -1 0 308.363 0.643 10 0 DCAERM Cn1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)cc1=O ZINC000864144753 667219028 /nfs/dbraw/zinc/21/90/28/667219028.db2.gz FARGTTABMIRIEV-LBPRGKRZSA-N -1 0 308.334 0.243 10 0 DCAERM CCCc1noc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071935 667728392 /nfs/dbraw/zinc/72/83/92/667728392.db2.gz QOWFBDMAYORFMJ-OAHLLOKOSA-N -1 0 324.381 0.383 10 0 DCAERM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000126590978 668628475 /nfs/dbraw/zinc/62/84/75/668628475.db2.gz GWIQIXYYAFSDCU-LLVKDONJSA-N -1 0 301.368 0.495 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])cc1 ZINC000128896384 669314473 /nfs/dbraw/zinc/31/44/73/669314473.db2.gz MIIKSWNYXDIWPY-SECBINFHSA-N -1 0 314.363 0.435 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCO[C@@H]2C)nc1C ZINC000192275432 670147825 /nfs/dbraw/zinc/14/78/25/670147825.db2.gz VETXIKLXAKDTCW-KOLCDFICSA-N -1 0 315.395 0.831 10 0 DCAERM O=C([O-])CCCS(=O)(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000712696626 670150696 /nfs/dbraw/zinc/15/06/96/670150696.db2.gz WNLQZLSZQKNQAW-WCQYABFASA-N -1 0 305.396 0.976 10 0 DCAERM CSCCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000189818025 670162810 /nfs/dbraw/zinc/16/28/10/670162810.db2.gz ICGBRCHNRAZIKN-UHFFFAOYSA-N -1 0 313.351 0.706 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1C[C@H](OC)C1 ZINC000714664762 670192600 /nfs/dbraw/zinc/19/26/00/670192600.db2.gz ICNNWQHNYCEJCD-ZKCHVHJHSA-N -1 0 320.392 0.633 10 0 DCAERM C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000716211426 670259980 /nfs/dbraw/zinc/25/99/80/670259980.db2.gz CURUZLZDVPTXQB-VWYCJHECSA-N -1 0 306.384 0.185 10 0 DCAERM Cn1cc(S(=O)(=O)[N-]C(=O)c2cn3ccnc3s2)cn1 ZINC000190752978 670487454 /nfs/dbraw/zinc/48/74/54/670487454.db2.gz GDFUNIYTZYUNPQ-UHFFFAOYSA-N -1 0 311.348 0.248 10 0 DCAERM O=C(N[C@@H]1CCc2ncnn2C1)c1n[n-]c2ccccc2c1=O ZINC000112725306 670646411 /nfs/dbraw/zinc/64/64/11/670646411.db2.gz JVEUMGPHMBRBGX-SECBINFHSA-N -1 0 310.317 0.259 10 0 DCAERM COC(=O)[C@H]1CCCN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000111597316 671265930 /nfs/dbraw/zinc/26/59/30/671265930.db2.gz OXKRVCVZTXEPJF-JTQLQIEISA-N -1 0 315.329 0.948 10 0 DCAERM COC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000105767883 672224131 /nfs/dbraw/zinc/22/41/31/672224131.db2.gz VGODUSCVOOZDQR-SECBINFHSA-N -1 0 318.420 0.750 10 0 DCAERM C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000399285920 685275318 /nfs/dbraw/zinc/27/53/18/685275318.db2.gz KOMZUYJRROWKCD-RKDXNWHRSA-N -1 0 302.352 0.257 10 0 DCAERM CC(C)C[C@@H](CNC(=O)N(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000094706406 685110341 /nfs/dbraw/zinc/11/03/41/685110341.db2.gz QOHHHRSRQGZWIL-JTQLQIEISA-N -1 0 308.400 0.419 10 0 DCAERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC000380259437 685236665 /nfs/dbraw/zinc/23/66/65/685236665.db2.gz RTVASTNSTMZSDN-NSCUHMNNSA-N -1 0 300.292 0.822 10 0 DCAERM O=C([O-])[C@]1(O)CCN(C(=O)c2coc(Br)c2)C1 ZINC000386763699 685249754 /nfs/dbraw/zinc/24/97/54/685249754.db2.gz IPLCMOHNWORIDX-JTQLQIEISA-N -1 0 304.096 0.704 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)COc2c(C)nn(C)c2C)C1 ZINC000262080566 1185160945 /nfs/dbraw/zinc/16/09/45/1185160945.db2.gz AXXCTGZIAGIBIT-MNOVXSKESA-N -1 0 311.338 0.116 10 0 DCAERM COc1cccc(CC(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000262099496 1185162220 /nfs/dbraw/zinc/16/22/20/1185162220.db2.gz IRDYKDRAJJXNPL-UHFFFAOYSA-N -1 0 304.306 0.230 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)CCc2ccc(F)cc2)nn1 ZINC000262139158 1185162649 /nfs/dbraw/zinc/16/26/49/1185162649.db2.gz MFUYPKHNTVUSPQ-UHFFFAOYSA-N -1 0 306.297 0.751 10 0 DCAERM C[C@@H](CNC(=O)CCn1nc2ccccn2c1=O)CC(=O)[O-] ZINC000262137410 1185162887 /nfs/dbraw/zinc/16/28/87/1185162887.db2.gz JLIBPCNEOIMSCR-SNVBAGLBSA-N -1 0 306.322 0.113 10 0 DCAERM CO[C@@H](CNC(=O)c1ccc(Cn2cccn2)cc1)C(=O)[O-] ZINC000262871390 1185174177 /nfs/dbraw/zinc/17/41/77/1185174177.db2.gz JFXVUMINPYBDDK-ZDUSSCGKSA-N -1 0 303.318 0.761 10 0 DCAERM CO[C@@H](CNC(=O)c1sc(-c2cnn(C)c2)nc1C)C(=O)[O-] ZINC000263062452 1185175204 /nfs/dbraw/zinc/17/52/04/1185175204.db2.gz HTIRFWWNZAGBDG-VIFPVBQESA-N -1 0 324.362 0.681 10 0 DCAERM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCn1nc2ccccn2c1=O ZINC000263225971 1185176508 /nfs/dbraw/zinc/17/65/08/1185176508.db2.gz RNEWHWCVJOYJJB-MNOVXSKESA-N -1 0 318.333 0.208 10 0 DCAERM CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](OC)C(=O)[O-] ZINC000263149158 1185177435 /nfs/dbraw/zinc/17/74/35/1185177435.db2.gz WSCOSUFJOICMDH-UWVGGRQHSA-N -1 0 318.395 0.294 10 0 DCAERM O=C([O-])c1cccc(N2CCC([C@H](O)C(=O)NC3CC3)CC2)n1 ZINC000263429274 1185177864 /nfs/dbraw/zinc/17/78/64/1185177864.db2.gz SEDLEFRLYMIMCT-AWEZNQCLSA-N -1 0 319.361 0.636 10 0 DCAERM CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)CC2 ZINC000263559616 1185179583 /nfs/dbraw/zinc/17/95/83/1185179583.db2.gz QNSZXLVOIIBUCD-JFUSQASVSA-N -1 0 306.366 0.628 10 0 DCAERM C[C@@H](CCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC000392864449 1190701533 /nfs/dbraw/zinc/70/15/33/1190701533.db2.gz LTLVMSQFTDWWIZ-UWVGGRQHSA-N -1 0 306.384 0.316 10 0 DCAERM O=C([O-])[C@H]1COCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403646151 774110358 /nfs/dbraw/zinc/11/03/58/774110358.db2.gz MUWMLULNKSNYII-HUAZRZQGSA-N -1 0 300.380 0.908 10 0 DCAERM CN(CC1=CCCOC1)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000696924986 804066785 /nfs/dbraw/zinc/06/67/85/804066785.db2.gz PETXCFLENYJCIT-NWDGAFQWSA-N -1 0 303.380 0.848 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)N2OC3CCC2CC3)CC1 ZINC000687266663 954616097 /nfs/dbraw/zinc/61/60/97/954616097.db2.gz UZUHMRUOJAUPGK-UHFFFAOYSA-N -1 0 304.368 0.586 10 0 DCAERM CC(C)CSCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689248846 954650358 /nfs/dbraw/zinc/65/03/58/954650358.db2.gz KLKUUHYSAJNZNJ-JTQLQIEISA-N -1 0 310.441 0.759 10 0 DCAERM C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000688097701 976169709 /nfs/dbraw/zinc/16/97/09/976169709.db2.gz YPNFCMNEYVROIW-KWQFWETISA-N -1 0 302.352 0.637 10 0 DCAERM C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000689000985 976198575 /nfs/dbraw/zinc/19/85/75/976198575.db2.gz SDSOHBVKYMQPPY-SFYZADRCSA-N -1 0 304.324 0.154 10 0 DCAERM COC(=O)CCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000690458191 976299849 /nfs/dbraw/zinc/29/98/49/976299849.db2.gz COKLIGJBJCSDMA-SNVBAGLBSA-N -1 0 307.368 0.360 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CO[C@@H](C3CC3)C2)o1 ZINC000691319991 976353879 /nfs/dbraw/zinc/35/38/79/976353879.db2.gz YQOIAXVCAMNVOK-PSASIEDQSA-N -1 0 301.320 0.824 10 0 DCAERM CC(=O)N[C@@H](CSCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000692360812 976433251 /nfs/dbraw/zinc/43/32/51/976433251.db2.gz RFWXGAREKMTAKT-JTQLQIEISA-N -1 0 309.409 0.134 10 0 DCAERM CC(C)(CNS(=O)(=O)c1cc(C(=O)[O-])co1)OCCO ZINC000694209144 976680949 /nfs/dbraw/zinc/68/09/49/976680949.db2.gz CSGJDPGBASDGAX-UHFFFAOYSA-N -1 0 307.324 0.044 10 0 DCAERM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211077 976682200 /nfs/dbraw/zinc/68/22/00/976682200.db2.gz HHPWSIVSMBVGST-HTRCEHHLSA-N -1 0 309.365 0.369 10 0 DCAERM CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(C(=O)[O-])cs1 ZINC000697287337 976838441 /nfs/dbraw/zinc/83/84/41/976838441.db2.gz RGTZYSRFVMQZBJ-VHSXEESVSA-N -1 0 305.377 0.348 10 0 DCAERM C[C@@H](CNC(=O)NC[C@H](CC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000697601308 976853007 /nfs/dbraw/zinc/85/30/07/976853007.db2.gz ZFNWAJPPMLAMMX-WPRPVWTQSA-N -1 0 306.384 0.220 10 0 DCAERM CC[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)NC ZINC000697828019 976863724 /nfs/dbraw/zinc/86/37/24/976863724.db2.gz WGCPWWDKSHVWFD-SSDOTTSWSA-N -1 0 306.365 0.249 10 0 DCAERM Cn1cc(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)cn1 ZINC000092436405 185318213 /nfs/dbraw/zinc/31/82/13/185318213.db2.gz MKYWPYLWHFIGCC-UHFFFAOYSA-N -1 0 301.246 0.058 10 0 DCAERM O=C([O-])CCc1ccc2c(=O)[nH]c(N3CCOCC3)nc2n1 ZINC000072416188 191156039 /nfs/dbraw/zinc/15/60/39/191156039.db2.gz DPUPFIOCFZFOBY-UHFFFAOYSA-N -1 0 304.306 0.172 10 0 DCAERM CC(C)c1cc2nn(CC(=O)[O-])c(=O)n2c(-c2cnccn2)n1 ZINC000073695140 191342549 /nfs/dbraw/zinc/34/25/49/191342549.db2.gz BKNBIOSNKIYVIP-UHFFFAOYSA-N -1 0 314.305 0.556 10 0 DCAERM O=C([O-])CC[C@@H]1CCCCN1C(=O)CN1CCCS1(=O)=O ZINC000262152141 304058746 /nfs/dbraw/zinc/05/87/46/304058746.db2.gz BQCVNZHTRBADPG-NSHDSACASA-N -1 0 318.395 0.268 10 0 DCAERM C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)CC(=O)[O-] ZINC000147317071 295971497 /nfs/dbraw/zinc/97/14/97/295971497.db2.gz FUKAKYZZGORODF-MRVPVSSYSA-N -1 0 312.347 0.570 10 0 DCAERM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cccc2ccccc21 ZINC000159629342 291235443 /nfs/dbraw/zinc/23/54/43/291235443.db2.gz LYMUIJHPZYCSKX-LBPRGKRZSA-N -1 0 309.343 0.954 10 0 DCAERM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ncnn2C)cc1 ZINC000161641747 291242329 /nfs/dbraw/zinc/24/23/29/291242329.db2.gz BLMZLPOWRVALKN-UHFFFAOYSA-N -1 0 310.335 0.331 10 0 DCAERM CC(C)[C@@H](NC(=O)CN1C(=O)C(Cl)=C(Cl)C1=O)C(=O)[O-] ZINC000016027747 182029998 /nfs/dbraw/zinc/02/99/98/182029998.db2.gz LUQZCYXSMIAMOF-MRVPVSSYSA-N -1 0 323.132 0.270 10 0 DCAERM CCc1nnc(N2C(=O)C[C@@H](S[C@H](C)C(=O)[O-])C2=O)s1 ZINC000016900664 182063155 /nfs/dbraw/zinc/06/31/55/182063155.db2.gz OZRZWFAXEZFRMM-PHDIDXHHSA-N -1 0 315.376 0.939 10 0 DCAERM Cc1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])s1 ZINC000020015992 182178401 /nfs/dbraw/zinc/17/84/01/182178401.db2.gz MTBOHXWVGNUCCW-QMMMGPOBSA-N -1 0 305.377 0.674 10 0 DCAERM COC(=O)Cn1c(SCC(=O)[O-])nc2ccccc2c1=O ZINC000020305775 182205294 /nfs/dbraw/zinc/20/52/94/182205294.db2.gz QOZSAOOTNISMHB-UHFFFAOYSA-N -1 0 308.315 0.746 10 0 DCAERM CSCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037436388 182893389 /nfs/dbraw/zinc/89/33/89/182893389.db2.gz DPYPCKRJNCIKLX-RKDXNWHRSA-N -1 0 303.384 0.100 10 0 DCAERM CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000573635921 291645657 /nfs/dbraw/zinc/64/56/57/291645657.db2.gz TUZCLBUVOSTXJN-NSHDSACASA-N -1 0 305.334 0.911 10 0 DCAERM CN(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037664372 182918424 /nfs/dbraw/zinc/91/84/24/182918424.db2.gz XATJMNJOGPHAHO-UHFFFAOYSA-N -1 0 304.290 0.522 10 0 DCAERM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000288653317 220323227 /nfs/dbraw/zinc/32/32/27/220323227.db2.gz QUUITUUASVOJGZ-YFKPBYRVSA-N -1 0 315.273 0.816 10 0 DCAERM Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC000328643566 533630605 /nfs/dbraw/zinc/63/06/05/533630605.db2.gz RKSCURYLJWXFGH-QWRGUYRKSA-N -1 0 324.360 0.851 10 0 DCAERM O=C([O-])[C@H]1O[C@@H](Oc2cccc3ccccc32)[C@H](O)[C@H](O)[C@@H]1O ZINC000013507830 395688597 /nfs/dbraw/zinc/68/85/97/395688597.db2.gz KEQWBZWOGRCILF-YMSVYLFOSA-N -1 0 320.297 0.111 10 0 DCAERM O=C([O-])/C=C/C(=O)N1CCN(Cc2cccc3c2OCO3)CC1 ZINC000000258492 395680131 /nfs/dbraw/zinc/68/01/31/395680131.db2.gz QRBZGRSQTQNCNX-SNAWJCMRSA-N -1 0 318.329 0.700 10 0 DCAERM CCOC(=O)[C@@H](NC(=O)CCC(=O)[O-])[C@@H](O)c1ccccc1 ZINC000005796630 395682818 /nfs/dbraw/zinc/68/28/18/395682818.db2.gz IKWCZVUSNAJTRC-KBPBESRZSA-N -1 0 309.318 0.633 10 0 DCAERM CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)[O-] ZINC000039027298 395732417 /nfs/dbraw/zinc/73/24/17/395732417.db2.gz YYLPNDVHEUJXAN-ZDUSSCGKSA-N -1 0 322.361 0.811 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1 ZINC000037414826 395727070 /nfs/dbraw/zinc/72/70/70/395727070.db2.gz FNRABFJAQFVODZ-UHFFFAOYSA-N -1 0 314.363 0.532 10 0 DCAERM COc1ccccc1S(=O)(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000037463433 395727420 /nfs/dbraw/zinc/72/74/20/395727420.db2.gz VPDPOIARYBQLFG-VHSXEESVSA-N -1 0 315.347 0.558 10 0 DCAERM Cc1cccc(C(=O)[O-])c1NC(=O)N1CCS(=O)(=O)CC1 ZINC000040581524 395734446 /nfs/dbraw/zinc/73/44/46/395734446.db2.gz IWXNNBWTLBANEW-UHFFFAOYSA-N -1 0 312.347 0.956 10 0 DCAERM COCCS(=O)(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000042808258 395749109 /nfs/dbraw/zinc/74/91/09/395749109.db2.gz JYAIMLCITGIRPL-NSHDSACASA-N -1 0 301.320 0.315 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000195100756 395815857 /nfs/dbraw/zinc/81/58/57/395815857.db2.gz CQCRMPYFSYFGIY-MRVPVSSYSA-N -1 0 312.317 0.986 10 0 DCAERM O=C([O-])c1cc(O)ccc1NC(=O)N1CCS(=O)(=O)CC1 ZINC000048847482 395823708 /nfs/dbraw/zinc/82/37/08/395823708.db2.gz MBPGTBMHOZABBE-UHFFFAOYSA-N -1 0 314.319 0.353 10 0 DCAERM O=C([O-])CC[C@@H]1CCCCN1S(=O)(=O)N1CCOCC1 ZINC000050923200 395843492 /nfs/dbraw/zinc/84/34/92/395843492.db2.gz XLNPMZMLLWGTDR-NSHDSACASA-N -1 0 306.384 0.283 10 0 DCAERM C[C@@H](CCC(=O)[O-])CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000123925421 395898266 /nfs/dbraw/zinc/89/82/66/395898266.db2.gz ISVFZSIRJWAUCH-GARJFASQSA-N -1 0 308.400 0.431 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)c2cccc(F)c2)C(=O)[O-])cn1 ZINC000130819268 395923615 /nfs/dbraw/zinc/92/36/15/395923615.db2.gz SUOYBNJHUAUFGM-LLVKDONJSA-N -1 0 313.310 0.663 10 0 DCAERM C[C@H](CCC(=O)[O-])CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000226322909 395865171 /nfs/dbraw/zinc/86/51/71/395865171.db2.gz ISVFZSIRJWAUCH-VWYCJHECSA-N -1 0 308.400 0.431 10 0 DCAERM C[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000135841127 395943090 /nfs/dbraw/zinc/94/30/90/395943090.db2.gz KLVWWNAUWGIIJX-JOYOIKCWSA-N -1 0 311.359 0.630 10 0 DCAERM CC[C@@](C)(O)CNc1nc[n-]c(=O)c1I ZINC000165278286 396087515 /nfs/dbraw/zinc/08/75/15/396087515.db2.gz URLZQYPASQGYHT-SECBINFHSA-N -1 0 323.134 0.947 10 0 DCAERM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070555852 396102831 /nfs/dbraw/zinc/10/28/31/396102831.db2.gz XWPVXKSAHOCPFP-UWVGGRQHSA-N -1 0 301.368 0.948 10 0 DCAERM C[C@H](NC(=O)c1ccco1)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000262299458 396119529 /nfs/dbraw/zinc/11/95/29/396119529.db2.gz OIRCTUJXBJTBQA-VHSXEESVSA-N -1 0 310.306 0.100 10 0 DCAERM COCC[C@@H](NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000262346589 396127995 /nfs/dbraw/zinc/12/79/95/396127995.db2.gz YAXNPFXXUVGYRK-CYBMUJFWSA-N -1 0 322.361 0.639 10 0 DCAERM Cc1noc(COCC(=O)N2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)n1 ZINC000262626593 396164283 /nfs/dbraw/zinc/16/42/83/396164283.db2.gz DPZRFNPQDVTMKD-MNOVXSKESA-N -1 0 309.322 0.464 10 0 DCAERM O=C([O-])[C@H](NC(=O)c1cnn2c1CCCC2)[C@H]1CCCOC1 ZINC000262752342 396178728 /nfs/dbraw/zinc/17/87/28/396178728.db2.gz JMJXIFLBRCCMPK-GXFFZTMASA-N -1 0 307.350 0.829 10 0 DCAERM CC(C)c1cccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000263510440 396219223 /nfs/dbraw/zinc/21/92/23/396219223.db2.gz XMQBWOBICGPERD-CYBMUJFWSA-N -1 0 301.364 0.924 10 0 DCAERM O=C([O-])[C@H]1CCN(S(=O)(=O)CCOCc2ccccc2)C1 ZINC000263567285 396220941 /nfs/dbraw/zinc/22/09/41/396220941.db2.gz XJBJNGZNHAYZNC-ZDUSSCGKSA-N -1 0 313.375 0.940 10 0 DCAERM CNS(=O)(=O)CCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192621221 396432860 /nfs/dbraw/zinc/43/28/60/396432860.db2.gz LRXSIGDWJLMKLH-UHFFFAOYSA-N -1 0 310.734 0.464 10 0 DCAERM COc1n[nH]c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)n1 ZINC000188125202 396378811 /nfs/dbraw/zinc/37/88/11/396378811.db2.gz LCLKDUJWQNQXKS-UHFFFAOYSA-N -1 0 308.270 0.076 10 0 DCAERM COC(=O)c1cc(C)nc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000376465609 396933556 /nfs/dbraw/zinc/93/35/56/396933556.db2.gz ZAEWRKSZOYCOPW-VIFPVBQESA-N -1 0 318.337 0.779 10 0 DCAERM O=C([O-])[C@@H]1CSCCN1C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000630495863 397032691 /nfs/dbraw/zinc/03/26/91/397032691.db2.gz XTUSCQOPHVOBAB-DCAQKATOSA-N -1 0 300.380 0.766 10 0 DCAERM O=C([O-])[C@H]1CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000384577497 397281041 /nfs/dbraw/zinc/28/10/41/397281041.db2.gz SRHZRCZVDLTYAF-MRVPVSSYSA-N -1 0 304.255 0.582 10 0 DCAERM CC[C@H](C)C[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000400379380 397319021 /nfs/dbraw/zinc/31/90/21/397319021.db2.gz KGVZBMYPFXBKPW-HBNTYKKESA-N -1 0 305.396 0.959 10 0 DCAERM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(O)cc1O ZINC000365826270 397321622 /nfs/dbraw/zinc/32/16/22/397321622.db2.gz ZOSJPPVMYBBKIB-CYBMUJFWSA-N -1 0 320.345 0.608 10 0 DCAERM CCOC(=O)CC[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-] ZINC000579793346 397592879 /nfs/dbraw/zinc/59/28/79/397592879.db2.gz XXGRSADGXIBFJL-UWVGGRQHSA-N -1 0 322.383 0.102 10 0 DCAERM CS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000085848104 158090616 /nfs/dbraw/zinc/09/06/16/158090616.db2.gz KEFNIQAYRYJIST-ZDUSSCGKSA-N -1 0 313.331 0.064 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@]1(C)CCCO1 ZINC000119799576 158190812 /nfs/dbraw/zinc/19/08/12/158190812.db2.gz ADPOBCPEOLHMJJ-LBPRGKRZSA-N -1 0 301.368 0.411 10 0 DCAERM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1c1nccs1)c1nnn[n-]1 ZINC000124357498 158240610 /nfs/dbraw/zinc/24/06/10/158240610.db2.gz YFTZUUDZCKSLFZ-UWVGGRQHSA-N -1 0 321.410 0.887 10 0 DCAERM CN1CC[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2)CC1=O ZINC000178053984 158452727 /nfs/dbraw/zinc/45/27/27/158452727.db2.gz WGBFEVZJVVAQDK-CYBMUJFWSA-N -1 0 304.346 0.968 10 0 DCAERM NC(=O)c1cccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1 ZINC000262364966 158803577 /nfs/dbraw/zinc/80/35/77/158803577.db2.gz JFCOBCSAOUCUFF-BLLLJJGKSA-N -1 0 318.329 0.349 10 0 DCAERM COc1ccc(C(=O)N[C@@H](C(=O)NCC(=O)[O-])C(C)C)cc1 ZINC000262624491 158830109 /nfs/dbraw/zinc/83/01/09/158830109.db2.gz NKBNFZKJMGPHEE-CYBMUJFWSA-N -1 0 308.334 0.650 10 0 DCAERM Cc1noc(COCC(=O)N2C[C@H]3CCC[C@]3(C(=O)[O-])C2)n1 ZINC000366947256 159300238 /nfs/dbraw/zinc/30/02/38/159300238.db2.gz WJUSSAFROHSJLS-YGRLFVJLSA-N -1 0 309.322 0.608 10 0 DCAERM CC(C)OCCS(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000377152935 159901407 /nfs/dbraw/zinc/90/14/07/159901407.db2.gz ICNBOIAVCJQHJS-VIFPVBQESA-N -1 0 315.338 0.783 10 0 DCAERM C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC(=O)OC(C)(C)C ZINC000408238444 160066711 /nfs/dbraw/zinc/06/67/11/160066711.db2.gz XHRHTRDLHALONP-ZJUUUORDSA-N -1 0 308.400 0.272 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)O1 ZINC000408318599 160084151 /nfs/dbraw/zinc/08/41/51/160084151.db2.gz DOGXVIQGWJYBFJ-PHDIDXHHSA-N -1 0 306.369 0.416 10 0 DCAERM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)c1 ZINC000408477072 160117240 /nfs/dbraw/zinc/11/72/40/160117240.db2.gz NIQDXVPOHIQBOB-CQSZACIVSA-N -1 0 310.375 0.716 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1cc(C2CCCCC2)n[nH]1 ZINC000408479600 160117591 /nfs/dbraw/zinc/11/75/91/160117591.db2.gz UMVJQDFOAMANTM-UHFFFAOYSA-N -1 0 313.379 0.916 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)N(C)C)c(C)o1 ZINC000408503184 160120348 /nfs/dbraw/zinc/12/03/48/160120348.db2.gz VEOZJGJQZGVRLL-VHSXEESVSA-N -1 0 314.363 0.426 10 0 DCAERM CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000054295612 286896685 /nfs/dbraw/zinc/89/66/85/286896685.db2.gz OLYPAAPQBXICTH-ZJUUUORDSA-N -1 0 317.411 0.490 10 0 DCAERM COC(=O)CCCS(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090932918 286935675 /nfs/dbraw/zinc/93/56/75/286935675.db2.gz DEDMSAXYUBOQRD-UHFFFAOYSA-N -1 0 322.364 0.214 10 0 DCAERM CCNc1nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cs1 ZINC000494374822 412417044 /nfs/dbraw/zinc/41/70/44/412417044.db2.gz MPTHCYGWQJKPKS-UHFFFAOYSA-N -1 0 316.368 0.349 10 0 DCAERM CC[C@@H](C)[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000037462668 415190727 /nfs/dbraw/zinc/19/07/27/415190727.db2.gz NTBJVGBTWWJLEM-CHWFTXMASA-N -1 0 308.400 0.429 10 0 DCAERM COC[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CC(C)(C)O1 ZINC000343343322 415568203 /nfs/dbraw/zinc/56/82/03/415568203.db2.gz XUFOARPLYQYACO-LBPRGKRZSA-N -1 0 306.366 0.648 10 0 DCAERM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCOC1 ZINC000109546479 415682969 /nfs/dbraw/zinc/68/29/69/415682969.db2.gz FEGCINMSHPRQPB-SECBINFHSA-N -1 0 315.347 0.856 10 0 DCAERM O=C(CCNC(=O)C1CCCCC1)NC1(c2nnn[n-]2)CC1 ZINC000357046906 416024694 /nfs/dbraw/zinc/02/46/94/416024694.db2.gz DTNSRGZZLFZOLV-UHFFFAOYSA-N -1 0 306.370 0.392 10 0 DCAERM Cc1cc(C(=O)NC2(c3nnn[n-]3)CC2)nc(C(F)(F)F)n1 ZINC000357040584 416025012 /nfs/dbraw/zinc/02/50/12/416025012.db2.gz DLBMGXRZDIISOL-UHFFFAOYSA-N -1 0 313.243 0.736 10 0 DCAERM COc1ccc2c(c1)C=C(C(=O)NC1(c3nnn[n-]3)CC1)CO2 ZINC000357073140 416031060 /nfs/dbraw/zinc/03/10/60/416031060.db2.gz HVRKMDFIGVFGGU-UHFFFAOYSA-N -1 0 313.317 0.790 10 0 DCAERM Cc1c(S(=O)(=O)N2CCC[C@H]2CCC(=O)[O-])cnn1C ZINC000312638831 416106116 /nfs/dbraw/zinc/10/61/16/416106116.db2.gz CWGFNSLQAGCADH-JTQLQIEISA-N -1 0 301.368 0.746 10 0 DCAERM C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)C[C@@H]1N1CCOCC1 ZINC000179524079 416188894 /nfs/dbraw/zinc/18/88/94/416188894.db2.gz HVVSNXYFOJPSQA-LLEDDSNTSA-N -1 0 317.389 0.980 10 0 DCAERM COC[C@@](C)([N-]S(=O)(=O)c1ccn(C)n1)C(F)(F)F ZINC000358838248 416282801 /nfs/dbraw/zinc/28/28/01/416282801.db2.gz ZTDLVXJEKPMUBC-MRVPVSSYSA-N -1 0 301.290 0.666 10 0 DCAERM CC(C)(C)n1cc(C(=O)C(=O)NCCCc2n[nH]c(=O)[n-]2)cn1 ZINC000359528714 416349797 /nfs/dbraw/zinc/34/97/97/416349797.db2.gz ZVAFTKZJAYCEBB-UHFFFAOYSA-N -1 0 320.353 0.394 10 0 DCAERM CCC(=O)N[C@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC000439915235 416622660 /nfs/dbraw/zinc/62/26/60/416622660.db2.gz WXIRKNOONJORDX-VIFPVBQESA-N -1 0 306.322 0.306 10 0 DCAERM CS(=O)(=O)CC1(CNC(=O)N[C@H](CC2CC2)C(=O)[O-])CC1 ZINC000515585706 416705325 /nfs/dbraw/zinc/70/53/25/416705325.db2.gz XBDHONSDVRCBJV-SNVBAGLBSA-N -1 0 318.395 0.364 10 0 DCAERM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H]1C(C)C ZINC000408475557 417164213 /nfs/dbraw/zinc/16/42/13/417164213.db2.gz FRKFHSFIPPAUFB-RKDXNWHRSA-N -1 0 317.367 0.431 10 0 DCAERM CC(=O)N1CCC(NC(=O)CN2CCC[C@]2(C)C(=O)[O-])CC1 ZINC000530205839 417550859 /nfs/dbraw/zinc/55/08/59/417550859.db2.gz IXNGVFWTRGBRFJ-OAHLLOKOSA-N -1 0 311.382 0.053 10 0 DCAERM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000575082949 417509426 /nfs/dbraw/zinc/50/94/26/417509426.db2.gz JYBMQZNJTTYUSU-ZJUUUORDSA-N -1 0 321.395 0.558 10 0 DCAERM CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])CC1 ZINC000631639166 417911147 /nfs/dbraw/zinc/91/11/47/417911147.db2.gz JTIJOLZRUISRAG-UHFFFAOYSA-N -1 0 318.782 0.898 10 0 DCAERM CC1(C)OCC[C@@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000663431496 418019909 /nfs/dbraw/zinc/01/99/09/418019909.db2.gz KOBGYSVLAJXERR-SSDOTTSWSA-N -1 0 303.340 0.201 10 0 DCAERM C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])O1 ZINC000656723589 418373545 /nfs/dbraw/zinc/37/35/45/418373545.db2.gz LUPCMMGCFLLESZ-SFYZADRCSA-N -1 0 303.340 0.344 10 0 DCAERM C[C@H]1CCC[C@@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])O1 ZINC000656723590 418373615 /nfs/dbraw/zinc/37/36/15/418373615.db2.gz LUPCMMGCFLLESZ-YUMQZZPRSA-N -1 0 303.340 0.344 10 0 DCAERM CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC ZINC000547914469 288091896 /nfs/dbraw/zinc/09/18/96/288091896.db2.gz GAKBVNWDXYGQEE-ZJUUUORDSA-N -1 0 307.368 0.455 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CO1 ZINC000408275843 281401652 /nfs/dbraw/zinc/40/16/52/281401652.db2.gz DWACNQLGBWDDDJ-VIFPVBQESA-N -1 0 307.368 0.011 10 0 DCAERM CO[C@@H](CS(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1ccccc1 ZINC000263474468 293550609 /nfs/dbraw/zinc/55/06/09/293550609.db2.gz IVNCCWJKSPKEGO-AAEUAGOBSA-N -1 0 317.363 0.129 10 0 DCAERM CO[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@@H]1C ZINC000188046391 294574908 /nfs/dbraw/zinc/57/49/08/294574908.db2.gz NNTVFRLVUKVSPF-KWQFWETISA-N -1 0 318.333 0.108 10 0 DCAERM COc1ccc(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])cc1 ZINC000038983350 295194534 /nfs/dbraw/zinc/19/45/34/295194534.db2.gz RFTUHYGDLMRPJB-LLVKDONJSA-N -1 0 317.388 0.886 10 0 DCAERM C[C@H]1COCCN1S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000035237165 300348775 /nfs/dbraw/zinc/34/87/75/300348775.db2.gz WKPUHMNCAFTFRD-QMMMGPOBSA-N -1 0 305.377 0.785 10 0 DCAERM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCO[C@@H]1C ZINC000149342824 301367967 /nfs/dbraw/zinc/36/79/67/301367967.db2.gz BIOIFSLXPXWGDN-PSASIEDQSA-N -1 0 315.347 0.855 10 0 DCAERM C[C@H](CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)CC(=O)[O-] ZINC000392833603 337066310 /nfs/dbraw/zinc/06/63/10/337066310.db2.gz JEOFAYZBHLPYFA-GMTAPVOTSA-N -1 0 308.400 0.431 10 0 DCAERM CN(C(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000218842577 337340306 /nfs/dbraw/zinc/34/03/06/337340306.db2.gz UKZVTCSIHLEQHX-GMTAPVOTSA-N -1 0 318.395 0.458 10 0 DCAERM COC(=O)c1cc(C(=O)[N-]S(C)(=O)=O)nc2ccccc21 ZINC000584637494 337379602 /nfs/dbraw/zinc/37/96/02/337379602.db2.gz SDYMMCAFKKDIGN-UHFFFAOYSA-N -1 0 308.315 0.711 10 0 DCAERM Nc1cc(=O)n(S(=O)(=O)c2ccc(O)c3ncccc23)[n-]1 ZINC000584653065 337381156 /nfs/dbraw/zinc/38/11/56/337381156.db2.gz IERKBHMQWUICPQ-UHFFFAOYSA-N -1 0 306.303 0.343 10 0 DCAERM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCC[C@@H]2COc3ccccc3O2)O1 ZINC000578015788 341971269 /nfs/dbraw/zinc/97/12/69/341971269.db2.gz JAVRGMNSFIASNT-SWHYSGLUSA-N -1 0 321.329 0.965 10 0 DCAERM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(n2ccnn2)C1 ZINC000369489409 519818051 /nfs/dbraw/zinc/81/80/51/519818051.db2.gz GBLATKWFVCCOCW-VIFPVBQESA-N -1 0 319.287 0.365 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO ZINC000163184135 522395672 /nfs/dbraw/zinc/39/56/72/522395672.db2.gz SQICBKJRJGMSQY-NKWVEPMBSA-N -1 0 308.381 0.225 10 0 DCAERM Cc1ccccc1S([O-])=CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000157089515 525451420 /nfs/dbraw/zinc/45/14/20/525451420.db2.gz RQNZPVYWLHHMFD-QKVFXAPYSA-N -1 0 308.403 0.827 10 0 DCAERM O=C([O-])C1(NC(=O)CCn2cnc3sccc3c2=O)CCC1 ZINC000237928839 527556661 /nfs/dbraw/zinc/55/66/61/527556661.db2.gz BEXTUUJSOWRMKO-UHFFFAOYSA-N -1 0 321.358 0.972 10 0 DCAERM CC1(C)CC[C@@H](CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)O1 ZINC000187342314 529025179 /nfs/dbraw/zinc/02/51/79/529025179.db2.gz UVPDADQBRIJRFO-VIFPVBQESA-N -1 0 318.333 0.299 10 0 DCAERM O=C(NC[C@H]1CCCS1(=O)=O)c1c([O-])cc(F)cc1F ZINC000151066996 545813851 /nfs/dbraw/zinc/81/38/51/545813851.db2.gz XVDLZBDWFUHABI-MRVPVSSYSA-N -1 0 305.302 0.977 10 0 DCAERM CC(C)[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000323895146 546036614 /nfs/dbraw/zinc/03/66/14/546036614.db2.gz OFMDTFCDPJLKHW-LBPRGKRZSA-N -1 0 301.368 0.681 10 0 DCAERM NC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000675056437 547659139 /nfs/dbraw/zinc/65/91/39/547659139.db2.gz QEWNIPVGXYUODO-NWDGAFQWSA-N -1 0 306.318 0.974 10 0 DCAERM CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000724191074 658042639 /nfs/dbraw/zinc/04/26/39/658042639.db2.gz CDXILQUYOPTCGS-GMTAPVOTSA-N -1 0 306.384 0.137 10 0 DCAERM CCN(CCCCC(=O)[O-])S(=O)(=O)c1cn(C)c(C)n1 ZINC000725066508 658098348 /nfs/dbraw/zinc/09/83/48/658098348.db2.gz GDESAZTYWDOSGQ-UHFFFAOYSA-N -1 0 303.384 0.994 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C#N)c2)c1 ZINC000181885656 665686651 /nfs/dbraw/zinc/68/66/51/665686651.db2.gz ITTZKWVRJTXCGX-UHFFFAOYSA-N -1 0 307.335 0.782 10 0 DCAERM CS[C@H]1CC[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000235118971 661355789 /nfs/dbraw/zinc/35/57/89/661355789.db2.gz AUIIUQBKYCEHAA-BQBZGAKWSA-N -1 0 305.381 0.670 10 0 DCAERM O=C([O-])COCCNC(=O)c1cc(Br)ccc1O ZINC000236419900 661370957 /nfs/dbraw/zinc/37/09/57/661370957.db2.gz TZNWDXKSKGROMI-UHFFFAOYSA-N -1 0 318.123 0.986 10 0 DCAERM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000178839632 661628074 /nfs/dbraw/zinc/62/80/74/661628074.db2.gz DAYPGZWJQZFCSW-CYBMUJFWSA-N -1 0 324.402 0.891 10 0 DCAERM Cc1nc([C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)sc1C(=O)[O-] ZINC000262598476 662498288 /nfs/dbraw/zinc/49/82/88/662498288.db2.gz XUDPMWKBMZJJTC-NKWVEPMBSA-N -1 0 320.392 0.760 10 0 DCAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CN2CCCCCC2=O)C1 ZINC000263046008 662621126 /nfs/dbraw/zinc/62/11/26/662621126.db2.gz NOORFVDPNQFJME-NWDGAFQWSA-N -1 0 312.366 0.480 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2CC(CO)C2)cc1Cl ZINC000227253487 664530733 /nfs/dbraw/zinc/53/07/33/664530733.db2.gz KYRNAGCKDJGHOR-UHFFFAOYSA-N -1 0 305.739 0.651 10 0 DCAERM CN(C(=O)c1cc(=O)[nH][n-]1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000732836325 664967527 /nfs/dbraw/zinc/96/75/27/664967527.db2.gz VJZYTGADEOUGRA-LBPRGKRZSA-N -1 0 318.308 0.265 10 0 DCAERM Cc1nc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)no1 ZINC000124491260 668076782 /nfs/dbraw/zinc/07/67/82/668076782.db2.gz MOCNEZNDDKAMRI-UHFFFAOYSA-N -1 0 317.330 0.833 10 0 DCAERM CCOCCS(=O)(=O)[N-]C(=O)CCCc1ccccn1 ZINC000125183358 668227208 /nfs/dbraw/zinc/22/72/08/668227208.db2.gz QCTZLHIGWANFLU-UHFFFAOYSA-N -1 0 300.380 0.887 10 0 DCAERM C[C@@H]1CN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C[C@H]1CO ZINC000191788159 670111913 /nfs/dbraw/zinc/11/19/13/670111913.db2.gz FIEQHGUKSLUATQ-SCZZXKLOSA-N -1 0 319.386 0.912 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCO[C@H]2C)nc1C ZINC000192275441 670147796 /nfs/dbraw/zinc/14/77/96/670147796.db2.gz VETXIKLXAKDTCW-ONGXEEELSA-N -1 0 315.395 0.831 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccnc2Cl)C1 ZINC000036813458 670194298 /nfs/dbraw/zinc/19/42/98/670194298.db2.gz ZMZWGKKNVFBXDL-YUMQZZPRSA-N -1 0 320.754 0.598 10 0 DCAERM O=C([O-])[C@@]1(CNS(=O)(=O)CCCC2CC2)CCCOC1 ZINC000715034112 670202074 /nfs/dbraw/zinc/20/20/74/670202074.db2.gz MDGIGSDYYCSBSU-CYBMUJFWSA-N -1 0 305.396 0.977 10 0 DCAERM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(Cl)cn1 ZINC000715772031 670221907 /nfs/dbraw/zinc/22/19/07/670221907.db2.gz XSXRZQRTSDYYBQ-UHFFFAOYSA-N -1 0 300.698 0.825 10 0 DCAERM COC[C@H](C)S(=O)(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000715874457 670224537 /nfs/dbraw/zinc/22/45/37/670224537.db2.gz RXHLGXVJVMAWIV-GVXVVHGQSA-N -1 0 305.396 0.928 10 0 DCAERM CC1CCN(S(=O)(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CC1 ZINC000716211466 670259922 /nfs/dbraw/zinc/25/99/22/670259922.db2.gz DODUPYIVXPYYNU-QWRGUYRKSA-N -1 0 306.384 0.042 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1 ZINC000193508811 670290858 /nfs/dbraw/zinc/29/08/58/670290858.db2.gz IZFDUROBMFPOFS-UHFFFAOYSA-N -1 0 319.346 0.422 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1 ZINC000193506595 670291064 /nfs/dbraw/zinc/29/10/64/670291064.db2.gz MVDVHLNPUBXMAZ-UHFFFAOYSA-N -1 0 306.303 0.677 10 0 DCAERM O=C([N-]S(=O)(=O)c1ncccc1F)c1cnn2c1CCCC2 ZINC000190405347 670437461 /nfs/dbraw/zinc/43/74/61/670437461.db2.gz CKGSWJAAJZDUEF-UHFFFAOYSA-N -1 0 324.337 0.872 10 0 DCAERM CO[C@]1(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])CCSC1 ZINC000719217058 685308416 /nfs/dbraw/zinc/30/84/16/685308416.db2.gz FNPBHSSXSLJZIC-SKDRFNHKSA-N -1 0 304.368 0.004 10 0 DCAERM COCC[C@@H](NC(=O)NC[C@@]1(OC)CCSC1)C(=O)[O-] ZINC000719232567 685309288 /nfs/dbraw/zinc/30/92/88/685309288.db2.gz ZHOMUSALRAJCSK-SKDRFNHKSA-N -1 0 306.384 0.297 10 0 DCAERM CO[C@]1(CNC(=O)N2CCSC[C@H]2C(=O)[O-])CCSC1 ZINC000719231151 685309479 /nfs/dbraw/zinc/30/94/79/685309479.db2.gz ULANJJIRRSZRJZ-CABZTGNLSA-N -1 0 320.436 0.720 10 0 DCAERM Cn1cc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(Br)n1 ZINC000720653186 685314523 /nfs/dbraw/zinc/31/45/23/685314523.db2.gz WGWIPVXEGKQFJK-RQJHMYQMSA-N -1 0 302.128 0.520 10 0 DCAERM O=C([O-])/C=C\CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000380183061 685236391 /nfs/dbraw/zinc/23/63/91/685236391.db2.gz BJKYMOPPXKMCKW-UPHRSURJSA-N -1 0 300.292 0.655 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000261611798 1184464901 /nfs/dbraw/zinc/46/49/01/1184464901.db2.gz DZBMJUPGFLUKRO-BREBYQMCSA-N -1 0 307.302 0.527 10 0 DCAERM CCc1oc(C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000261719378 1184937467 /nfs/dbraw/zinc/93/74/67/1184937467.db2.gz WOAZFZXTLMZWAH-QMMMGPOBSA-N -1 0 315.347 0.847 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc(-n3cncn3)c2)C1 ZINC000262075951 1185160264 /nfs/dbraw/zinc/16/02/64/1185160264.db2.gz ADSFADFOOPFXHH-OLZOCXBDSA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC000262083840 1185161152 /nfs/dbraw/zinc/16/11/52/1185161152.db2.gz BNNSFZHWFMCCSU-DGCLKSJQSA-N -1 0 318.329 0.343 10 0 DCAERM CCCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC ZINC000263450040 1185177928 /nfs/dbraw/zinc/17/79/28/1185177928.db2.gz AGKVKPDXFBRICX-ZJUUUORDSA-N -1 0 307.368 0.455 10 0 DCAERM Cc1cc(N2CC[C@H](Nc3cnc(C(=O)[O-])cn3)C2=O)n(C)n1 ZINC000263468756 1185178315 /nfs/dbraw/zinc/17/83/15/1185178315.db2.gz DDFLCYVAYSCPRL-VIFPVBQESA-N -1 0 316.321 0.434 10 0 DCAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC(Cn2cncn2)CC1 ZINC000263559101 1185179869 /nfs/dbraw/zinc/17/98/69/1185179869.db2.gz QDQWGHPCFMDJNS-NEPJUHHUSA-N -1 0 306.366 0.874 10 0 DCAERM CC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000689097774 954639119 /nfs/dbraw/zinc/63/91/19/954639119.db2.gz PXVSUJRTKBLATF-DCAQKATOSA-N -1 0 306.384 0.280 10 0 DCAERM COC1(C)CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000689241349 954649900 /nfs/dbraw/zinc/64/99/00/954649900.db2.gz DZIFTLJLWXERRJ-JTQLQIEISA-N -1 0 306.384 0.281 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000688459817 976181026 /nfs/dbraw/zinc/18/10/26/976181026.db2.gz RIBAAJSYURVPGA-WDEREUQCSA-N -1 0 305.396 0.771 10 0 DCAERM O=C([O-])C1=CC[C@H](NC(=O)N2CCSC[C@H]2CCO)C1 ZINC000689329166 976250441 /nfs/dbraw/zinc/25/04/41/976250441.db2.gz UAVCNNMEGQJNAZ-WDEREUQCSA-N -1 0 300.380 0.669 10 0 DCAERM CCN(C(=O)NC/C=C(/C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000692419470 976458762 /nfs/dbraw/zinc/45/87/62/976458762.db2.gz RZIUVIPQACFISL-ZUYFITGHSA-N -1 0 304.368 0.236 10 0 DCAERM O=C([O-])[C@@H](O)CCNC(=O)Cc1ccccc1Br ZINC000692442436 976478040 /nfs/dbraw/zinc/47/80/40/976478040.db2.gz ZWDOGLNEJSPUJJ-JTQLQIEISA-N -1 0 316.151 0.943 10 0 DCAERM CC(=O)N[C@@H](C[S@](=O)Cc1nc(C)sc1C)C(=O)[O-] ZINC000692668844 976532426 /nfs/dbraw/zinc/53/24/26/976532426.db2.gz WNMWEPUAAILFFM-APBUJDDRSA-N -1 0 304.393 0.598 10 0 DCAERM Cn1ncc(Br)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000693072294 976587093 /nfs/dbraw/zinc/58/70/93/976587093.db2.gz XMNLNNPDMSKEMM-SSDOTTSWSA-N -1 0 318.127 0.108 10 0 DCAERM Cn1ncc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1Cl ZINC000694127145 976667555 /nfs/dbraw/zinc/66/75/55/976667555.db2.gz YUNAJJBDMVQRIC-NKWVEPMBSA-N -1 0 302.718 0.373 10 0 DCAERM C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694209071 976681014 /nfs/dbraw/zinc/68/10/14/976681014.db2.gz LQUQUXGLWYOWQA-VIIUKITBSA-N -1 0 309.365 0.365 10 0 DCAERM COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694213414 976684171 /nfs/dbraw/zinc/68/41/71/976684171.db2.gz VGUCKUGWMNQRFV-ZETCQYMHSA-N -1 0 305.308 0.407 10 0 DCAERM O=C([O-])[C@H]1CC12CCN(C(=O)[C@H]1CCCS1(=O)=O)CC2 ZINC000694678791 976709584 /nfs/dbraw/zinc/70/95/84/976709584.db2.gz NWUVGESVMFQKBS-NXEZZACHSA-N -1 0 301.364 0.277 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@@]1(C)CO ZINC000694678867 976709901 /nfs/dbraw/zinc/70/99/01/976709901.db2.gz BUKCEPKJUNBYBG-PELKAZGASA-N -1 0 303.336 0.617 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@]1(C)CO ZINC000694678868 976710271 /nfs/dbraw/zinc/71/02/71/976710271.db2.gz BUKCEPKJUNBYBG-PRHODGIISA-N -1 0 303.336 0.617 10 0 DCAERM O=C([O-])C[C@@H]1CSCCN1CC[C@H]1CCS(=O)(=O)C1 ZINC000696702297 976821821 /nfs/dbraw/zinc/82/18/21/976821821.db2.gz IIXTZMXVSLOPGB-WDEREUQCSA-N -1 0 307.437 0.703 10 0 DCAERM CNC(=O)c1cccc(CCC(=O)N[C@@H](C(=O)[O-])C2CC2)c1 ZINC000262837897 290633291 /nfs/dbraw/zinc/63/32/91/290633291.db2.gz YZYGZGKWUIYKPX-CQSZACIVSA-N -1 0 304.346 0.958 10 0 DCAERM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)NCCCO ZINC000004459785 181110889 /nfs/dbraw/zinc/11/08/89/181110889.db2.gz AFLPWHOCBJZSFL-XQRVVYSFSA-N -1 0 315.347 0.454 10 0 DCAERM O=C([O-])Cn1c2ccsc2c(=O)n(Cc2ccco2)c1=O ZINC000073661047 191338299 /nfs/dbraw/zinc/33/82/99/191338299.db2.gz ZOPRINNGSZLPJD-UHFFFAOYSA-N -1 0 306.299 0.951 10 0 DCAERM COCCCn1c(=O)c2sccc2n(CCC(=O)[O-])c1=O ZINC000073661388 191338478 /nfs/dbraw/zinc/33/84/78/191338478.db2.gz LNNFYYFJKXXEPE-UHFFFAOYSA-N -1 0 312.347 0.736 10 0 DCAERM Cc1cc(C)n(-c2nc(C)c(CCO)c(OCC(=O)[O-])n2)n1 ZINC000073695876 191342608 /nfs/dbraw/zinc/34/26/08/191342608.db2.gz DHRHCSYOGGWGJY-UHFFFAOYSA-N -1 0 306.322 0.586 10 0 DCAERM CCCc1cc2nn(CC(=O)[O-])c(=O)n2c(-c2cccnc2)n1 ZINC000073695115 191342906 /nfs/dbraw/zinc/34/29/06/191342906.db2.gz QPCLTHYRWVOCNN-UHFFFAOYSA-N -1 0 313.317 0.990 10 0 DCAERM CCC[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)CC)C(=O)[O-] ZINC000263220303 283522140 /nfs/dbraw/zinc/52/21/40/283522140.db2.gz QOCUTHDHZMGQPU-UWVGGRQHSA-N -1 0 302.396 0.915 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164841283 291247766 /nfs/dbraw/zinc/24/77/66/291247766.db2.gz XANLFOISIIAXRY-ZWNOBZJWSA-N -1 0 315.395 0.959 10 0 DCAERM CCc1nnc(N2C(=O)C[C@@H](S[C@@H](C)C(=O)[O-])C2=O)s1 ZINC000016900662 182062973 /nfs/dbraw/zinc/06/29/73/182062973.db2.gz OZRZWFAXEZFRMM-NTSWFWBYSA-N -1 0 315.376 0.939 10 0 DCAERM O=C([O-])CNC(=O)C[C@H]1SC(=O)N(c2cccc(O)c2)C1=O ZINC000016905759 182064590 /nfs/dbraw/zinc/06/45/90/182064590.db2.gz WOSACSVSNUJNOX-SECBINFHSA-N -1 0 324.314 0.552 10 0 DCAERM COc1ccc(Cl)cc1C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000019232665 182110381 /nfs/dbraw/zinc/11/03/81/182110381.db2.gz PWGBGKNBAWFHRS-MRVPVSSYSA-N -1 0 300.698 0.407 10 0 DCAERM NC(=S)c1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000019814740 182153528 /nfs/dbraw/zinc/15/35/28/182153528.db2.gz SUFRNJRUZSFADH-UHFFFAOYSA-N -1 0 300.390 0.973 10 0 DCAERM CCOc1ccc(NC(=O)CS(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC000019955426 182169917 /nfs/dbraw/zinc/16/99/17/182169917.db2.gz YGNBHGKJRQHSJU-SECBINFHSA-N -1 0 315.347 0.912 10 0 DCAERM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1cn[nH]c1 ZINC000038006018 182960271 /nfs/dbraw/zinc/96/02/71/182960271.db2.gz MMQJXBDKWJNGPN-UHFFFAOYSA-N -1 0 311.319 0.595 10 0 DCAERM Cc1cc(SCC(=O)[O-])n2nc(N3CCOCC3)nc2n1 ZINC000040351226 183055392 /nfs/dbraw/zinc/05/53/92/183055392.db2.gz CYEHHPKNGBSFKU-UHFFFAOYSA-N -1 0 309.351 0.446 10 0 DCAERM COCCS(=O)(=O)[N-]c1ccccc1OCC(N)=S ZINC000042809354 183311671 /nfs/dbraw/zinc/31/16/71/183311671.db2.gz FYRXXADAFVMPSG-UHFFFAOYSA-N -1 0 304.393 0.740 10 0 DCAERM CS(=O)(=O)CCS(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000063143287 184273899 /nfs/dbraw/zinc/27/38/99/184273899.db2.gz HQFOPWGGCXQYDA-UHFFFAOYSA-N -1 0 313.784 0.832 10 0 DCAERM C[C@H](NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)C(=O)[O-] ZINC000033450933 395717253 /nfs/dbraw/zinc/71/72/53/395717253.db2.gz QJDGZKUTTHLLPR-AAEUAGOBSA-N -1 0 304.346 0.667 10 0 DCAERM Cc1noc(C)c1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000092325997 395730373 /nfs/dbraw/zinc/73/03/73/395730373.db2.gz ZXCMIQUATOSOIY-UHFFFAOYSA-N -1 0 300.296 0.191 10 0 DCAERM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000040396323 395733678 /nfs/dbraw/zinc/73/36/78/395733678.db2.gz HOAFEFJVYVRRRD-QWRGUYRKSA-N -1 0 303.311 0.175 10 0 DCAERM Cn1cc([C@H]2CCCN2S(=O)(=O)[N-]CC(F)(F)F)cn1 ZINC000195221776 395821378 /nfs/dbraw/zinc/82/13/78/395821378.db2.gz CAJGXVRRYGGVGE-SECBINFHSA-N -1 0 312.317 0.954 10 0 DCAERM COCCN(CCOC)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000054304366 395896478 /nfs/dbraw/zinc/89/64/78/395896478.db2.gz MBEZBHLXWJQBBA-GFCCVEGCSA-N -1 0 302.371 0.888 10 0 DCAERM CN(C(=O)N1CCCC[C@]1(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000134060861 395930573 /nfs/dbraw/zinc/93/05/73/395930573.db2.gz ONZXQUIYCUDMHA-ZWNOBZJWSA-N -1 0 318.395 0.555 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130837342 395924059 /nfs/dbraw/zinc/92/40/59/395924059.db2.gz MXWNKQBXZAADAU-VIFPVBQESA-N -1 0 314.323 0.129 10 0 DCAERM COCC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000052785890 395869790 /nfs/dbraw/zinc/86/97/90/395869790.db2.gz LOXFWWRTTNJIIP-NSHDSACASA-N -1 0 305.327 0.735 10 0 DCAERM CC(C)[C@@H](CC(=O)[O-])NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000136565540 395947759 /nfs/dbraw/zinc/94/77/59/395947759.db2.gz ONLLJRZUJOAPOE-VHSXEESVSA-N -1 0 306.384 0.314 10 0 DCAERM CCNC(=O)C[N-]S(=O)(=O)[C@H]([C@H]1CCCO1)C(F)(F)F ZINC000170603696 396095094 /nfs/dbraw/zinc/09/50/94/396095094.db2.gz CBUOLBVFAKSKEX-VXNVDRBHSA-N -1 0 318.317 0.152 10 0 DCAERM Cc1nc(S(=O)(=O)NCc2nc(C)c(C(=O)[O-])s2)c[nH]1 ZINC000070419023 396101101 /nfs/dbraw/zinc/10/11/01/396101101.db2.gz PROMPNMELCHYTK-UHFFFAOYSA-N -1 0 316.364 0.660 10 0 DCAERM Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])s1 ZINC000278768192 396140244 /nfs/dbraw/zinc/14/02/44/396140244.db2.gz SKAVEQZGLIGMPJ-SCZZXKLOSA-N -1 0 305.377 0.919 10 0 DCAERM CCCNC(=O)CCCC(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000262893380 396189710 /nfs/dbraw/zinc/18/97/10/396189710.db2.gz CMUVDDRBEVFLQH-NEPJUHHUSA-N -1 0 314.382 0.774 10 0 DCAERM Cn1cc(Br)c(CNC(=O)NCCCC(=O)[O-])n1 ZINC000263365674 396214727 /nfs/dbraw/zinc/21/47/27/396214727.db2.gz VYTMAVDLTRKAHK-UHFFFAOYSA-N -1 0 319.159 0.847 10 0 DCAERM CO[C@H]1C[C@@H](CO)N(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263355558 396214974 /nfs/dbraw/zinc/21/49/74/396214974.db2.gz IWOKNYQHJZNDDA-STQMWFEESA-N -1 0 308.334 0.676 10 0 DCAERM COCC(=O)NC1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263374658 396215545 /nfs/dbraw/zinc/21/55/45/396215545.db2.gz BPGOAZLBSYQBNM-UHFFFAOYSA-N -1 0 321.333 0.041 10 0 DCAERM Cc1ccc2c(O)c(C(=O)N[C@@H](C)C(=O)N(C)C)cnc2n1 ZINC000191805133 396425437 /nfs/dbraw/zinc/42/54/37/396425437.db2.gz WEORKROXZUWETQ-VIFPVBQESA-N -1 0 302.334 0.850 10 0 DCAERM O=C(Nc1ccc(Cl)cc1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000563828652 396783756 /nfs/dbraw/zinc/78/37/56/396783756.db2.gz VFWHAQRSYJUKPH-UHFFFAOYSA-N -1 0 306.713 0.597 10 0 DCAERM Cn1cc(C(=O)NC2(c3nnn[n-]3)CC2)c2ccccc2c1=O ZINC000563828651 396784072 /nfs/dbraw/zinc/78/40/72/396784072.db2.gz UYDKBWRWHCGXMP-UHFFFAOYSA-N -1 0 310.317 0.471 10 0 DCAERM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(n2ccnn2)C1 ZINC000375417936 396739794 /nfs/dbraw/zinc/73/97/94/396739794.db2.gz WFUCZXYWECFESC-UHFFFAOYSA-N -1 0 305.260 0.119 10 0 DCAERM CCn1cnc(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000312733163 396766887 /nfs/dbraw/zinc/76/68/87/396766887.db2.gz WKFGGPUMFBTWOX-LURJTMIESA-N -1 0 315.273 0.587 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1COC(C)(C)C1 ZINC000396503698 397311039 /nfs/dbraw/zinc/31/10/39/397311039.db2.gz LEQGIGVVJJDFED-ZETCQYMHSA-N -1 0 320.392 0.776 10 0 DCAERM CCOC(=O)CCS(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000405339569 397331181 /nfs/dbraw/zinc/33/11/81/397331181.db2.gz BYKVGBNOWDJEOL-SNVBAGLBSA-N -1 0 307.368 0.360 10 0 DCAERM CC1(C)CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@]2(CCOC2)O1 ZINC000366589445 397382556 /nfs/dbraw/zinc/38/25/56/397382556.db2.gz KPMBMKRLYOAMJJ-MRXNPFEDSA-N -1 0 318.377 0.793 10 0 DCAERM CCOC(=O)CCS(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000405339566 397331075 /nfs/dbraw/zinc/33/10/75/397331075.db2.gz BYKVGBNOWDJEOL-JTQLQIEISA-N -1 0 307.368 0.360 10 0 DCAERM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cn[nH]c1 ZINC000090230894 158103713 /nfs/dbraw/zinc/10/37/13/158103713.db2.gz HGXOEWFUZZGWTH-UHFFFAOYSA-N -1 0 301.349 0.614 10 0 DCAERM O=C([O-])c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)ccn1 ZINC000137305091 158345581 /nfs/dbraw/zinc/34/55/81/158345581.db2.gz GUTLRYYRXBAYSH-NSHDSACASA-N -1 0 301.306 0.849 10 0 DCAERM NCC(F)(F)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000162652682 158359893 /nfs/dbraw/zinc/35/98/93/158359893.db2.gz ISJXITYXYLFIEK-UHFFFAOYSA-N -1 0 304.240 0.976 10 0 DCAERM Cc1ccc(OCC(=O)NCc2cn(CC(=O)[O-])nn2)c(C)c1 ZINC000261895336 158751030 /nfs/dbraw/zinc/75/10/30/158751030.db2.gz OGJHTOWBRYABME-UHFFFAOYSA-N -1 0 318.333 0.675 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000262547802 158824151 /nfs/dbraw/zinc/82/41/51/158824151.db2.gz RYSRNSGQJPVQGN-YPMHNXCESA-N -1 0 316.317 0.581 10 0 DCAERM C[C@H](CN(C)C(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000263496701 158883361 /nfs/dbraw/zinc/88/33/61/158883361.db2.gz RDJKPBGZYDFRNO-SECBINFHSA-N -1 0 304.310 0.847 10 0 DCAERM CC[C@@H](C)[C@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000237003159 286805532 /nfs/dbraw/zinc/80/55/32/286805532.db2.gz PLVWHWHCRZFIGH-MFKMUULPSA-N -1 0 320.349 0.502 10 0 DCAERM C[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)C1 ZINC000408197263 160057669 /nfs/dbraw/zinc/05/76/69/160057669.db2.gz HOGAQWWFAGPTSK-WDEREUQCSA-N -1 0 321.381 0.822 10 0 DCAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)sc1C ZINC000408218923 160062469 /nfs/dbraw/zinc/06/24/69/160062469.db2.gz WCBQDQMEIIVAMM-SNVBAGLBSA-N -1 0 318.420 0.500 10 0 DCAERM Cn1cc(C(=O)[N-]S(=O)(=O)C2(C)CC2)c([C@@H]2CCOC2)n1 ZINC000408349741 160089751 /nfs/dbraw/zinc/08/97/51/160089751.db2.gz LQDIIFWHXNGYPL-SECBINFHSA-N -1 0 313.379 0.536 10 0 DCAERM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000408456101 160112064 /nfs/dbraw/zinc/11/20/64/160112064.db2.gz ZTFDHOQIAHVJLM-JTQLQIEISA-N -1 0 318.420 0.582 10 0 DCAERM Cc1nc(C2CC2)oc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408473546 160116344 /nfs/dbraw/zinc/11/63/44/160116344.db2.gz VKUFAZKAFXFHNJ-SECBINFHSA-N -1 0 300.336 0.709 10 0 DCAERM CO[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)CCOC1 ZINC000408478498 160116928 /nfs/dbraw/zinc/11/69/28/160116928.db2.gz JLMHRTURBMZHOX-LLVKDONJSA-N -1 0 305.377 0.667 10 0 DCAERM CC(C)(C)c1nc(C(=O)[N-]S(=O)(=O)C2COC2)cs1 ZINC000408479210 160116942 /nfs/dbraw/zinc/11/69/42/160116942.db2.gz TWTTWORZLYVZRZ-UHFFFAOYSA-N -1 0 304.393 0.899 10 0 DCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408478861 160116988 /nfs/dbraw/zinc/11/69/88/160116988.db2.gz DSFONJUUTBEGGE-TUAOUCFPSA-N -1 0 305.396 0.817 10 0 DCAERM O=C(CC1CCC2(CC1)OCCO2)[N-]S(=O)(=O)C1COC1 ZINC000408476868 160117234 /nfs/dbraw/zinc/11/72/34/160117234.db2.gz MVAJPVSXVNYJLE-UHFFFAOYSA-N -1 0 319.379 0.155 10 0 DCAERM O=C([N-]S(=O)(=O)C1COC1)c1csc([C@@H]2CCCO2)n1 ZINC000408481935 160117867 /nfs/dbraw/zinc/11/78/67/160117867.db2.gz ZBAFXRADGUEPCW-VIFPVBQESA-N -1 0 318.376 0.453 10 0 DCAERM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOCC2)cnn1C ZINC000408484774 160118183 /nfs/dbraw/zinc/11/81/83/160118183.db2.gz OGNWFFIUVPRPDV-SNVBAGLBSA-N -1 0 301.368 0.350 10 0 DCAERM Cc1nc(C(=O)[N-]S(=O)(=O)c2cn(C)c(C)n2)c(C)s1 ZINC000408493700 160119612 /nfs/dbraw/zinc/11/96/12/160119612.db2.gz CFDPKTXOXXQBMQ-UHFFFAOYSA-N -1 0 314.392 0.921 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)[C@H]2CCO[C@H]2C(C)C)cn1C ZINC000408495501 160119836 /nfs/dbraw/zinc/11/98/36/160119836.db2.gz FZBYZSGVNBIVGI-JQWIXIFHSA-N -1 0 315.395 0.595 10 0 DCAERM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cn(C)cn3)c2C1 ZINC000408502938 160120261 /nfs/dbraw/zinc/12/02/61/160120261.db2.gz UPJIEONNLSSDGL-VIFPVBQESA-N -1 0 323.378 0.318 10 0 DCAERM COc1cccc([C@H]2C[C@@H]2C(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000080974815 286927929 /nfs/dbraw/zinc/92/79/29/286927929.db2.gz PJNYNPDQEFWBDI-OLZOCXBDSA-N -1 0 316.361 0.959 10 0 DCAERM COCCN(CCOC)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263183321 292485398 /nfs/dbraw/zinc/48/53/98/292485398.db2.gz KLTWSSMQMCPEPR-RYUDHWBXSA-N -1 0 302.371 0.744 10 0 DCAERM COC[C@H](C)S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000399733359 287231111 /nfs/dbraw/zinc/23/11/11/287231111.db2.gz USTLBCAEILIANM-YUMQZZPRSA-N -1 0 321.317 0.984 10 0 DCAERM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000068371572 415394501 /nfs/dbraw/zinc/39/45/01/415394501.db2.gz CLHWYGDPHDZVLI-UWVGGRQHSA-N -1 0 316.361 0.956 10 0 DCAERM COc1cccc([C@@H]2C[C@H]2C(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000080974816 415480957 /nfs/dbraw/zinc/48/09/57/415480957.db2.gz PJNYNPDQEFWBDI-QWHCGFSZSA-N -1 0 316.361 0.959 10 0 DCAERM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCNC(=O)CC1 ZINC000084388924 415497195 /nfs/dbraw/zinc/49/71/95/415497195.db2.gz PYKBMFQYVSMVNI-UHFFFAOYSA-N -1 0 318.308 0.679 10 0 DCAERM Cc1nc(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)cn1C ZINC000090932967 415532559 /nfs/dbraw/zinc/53/25/59/415532559.db2.gz SMAWHVYHWQYZQU-UHFFFAOYSA-N -1 0 316.364 0.362 10 0 DCAERM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000287275874 415650891 /nfs/dbraw/zinc/65/08/91/415650891.db2.gz KPNVUXHORRUAKE-QWRGUYRKSA-N -1 0 309.366 0.642 10 0 DCAERM CC(=O)N(C)c1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000354114182 415758961 /nfs/dbraw/zinc/75/89/61/415758961.db2.gz DRUKMOVGLNUHKN-UHFFFAOYSA-N -1 0 304.310 0.815 10 0 DCAERM Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357048130 416024991 /nfs/dbraw/zinc/02/49/91/416024991.db2.gz MATPJZYKWYKXPW-UHFFFAOYSA-N -1 0 321.362 0.331 10 0 DCAERM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357042112 416025072 /nfs/dbraw/zinc/02/50/72/416025072.db2.gz GBOSJPAGPUKAPD-LDYMZIIASA-N -1 0 301.306 0.534 10 0 DCAERM CCOC(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)nc1C ZINC000357052445 416027212 /nfs/dbraw/zinc/02/72/12/416027212.db2.gz JNIIHRFBNHJQPP-UHFFFAOYSA-N -1 0 316.321 0.499 10 0 DCAERM Cn1nccc1N1CCC[C@H]([N-]c2nnc(C(F)F)o2)C1=O ZINC000330349474 416200764 /nfs/dbraw/zinc/20/07/64/416200764.db2.gz JXOSXBLYQLYDRV-ZETCQYMHSA-N -1 0 312.280 1.348 10 0 DCAERM COc1nc(NC(=O)c2cnc3c(C)cccn3c2=O)n[n-]1 ZINC000183002053 416234611 /nfs/dbraw/zinc/23/46/11/416234611.db2.gz PFOUXVCBEYDVBV-UHFFFAOYSA-N -1 0 300.278 0.382 10 0 DCAERM CCn1cc(C(=O)C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1 ZINC000537123599 416552717 /nfs/dbraw/zinc/55/27/17/416552717.db2.gz YQNPKLSACJQKSE-VIFPVBQESA-N -1 0 303.326 0.005 10 0 DCAERM COc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000384582093 417088687 /nfs/dbraw/zinc/08/86/87/417088687.db2.gz XYCAOORTWQTCOA-SECBINFHSA-N -1 0 301.320 0.551 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000405394884 417125733 /nfs/dbraw/zinc/12/57/33/417125733.db2.gz NUDKKVHPPQOADM-QMMMGPOBSA-N -1 0 321.786 0.853 10 0 DCAERM CC(=O)c1ccc([O-])c(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 ZINC000450655450 417256658 /nfs/dbraw/zinc/25/66/58/417256658.db2.gz SSMTWILCPXHPDE-UHFFFAOYSA-N -1 0 319.317 0.864 10 0 DCAERM CCOC(=O)[C@@H]1CN(C(=O)c2ncccc2O)CC12COC2 ZINC000452254080 417462109 /nfs/dbraw/zinc/46/21/09/417462109.db2.gz FNEWYZXBOWUEMC-JTQLQIEISA-N -1 0 306.318 0.439 10 0 DCAERM CO[C@@H]1CN(S(=O)(=O)c2cnc(C)s2)[C@](C)(C(=O)[O-])C1 ZINC000629309945 417777424 /nfs/dbraw/zinc/77/74/24/417777424.db2.gz NSIJKLRRUDCEFE-KWQFWETISA-N -1 0 320.392 0.704 10 0 DCAERM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000629335039 417780118 /nfs/dbraw/zinc/78/01/18/417780118.db2.gz HVPVUFDJEFRBLN-VWYCJHECSA-N -1 0 320.436 0.750 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC000227867093 261152939 /nfs/dbraw/zinc/15/29/39/261152939.db2.gz NETZNWYYQLLPHU-ZETCQYMHSA-N -1 0 307.759 0.559 10 0 DCAERM COCCOCc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000360729048 261867732 /nfs/dbraw/zinc/86/77/32/261867732.db2.gz MXZWGUXLPSSSAA-UHFFFAOYSA-N -1 0 317.349 0.782 10 0 DCAERM Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000548533121 288151047 /nfs/dbraw/zinc/15/10/47/288151047.db2.gz AIDPKZYOIMSLPT-BXKDBHETSA-N -1 0 317.338 0.902 10 0 DCAERM COCCCS(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-] ZINC000548548945 288153077 /nfs/dbraw/zinc/15/30/77/288153077.db2.gz NUMIPBBDXHVWTH-LBPRGKRZSA-N -1 0 316.379 0.281 10 0 DCAERM COC[C@@H](O)CNC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263508443 292855459 /nfs/dbraw/zinc/85/54/59/292855459.db2.gz XXHFDZWMFDCTMM-KGLIPLIRSA-N -1 0 324.377 0.769 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)OC[C@@H]2CCCCO2)C1 ZINC000262157228 293922249 /nfs/dbraw/zinc/92/22/49/293922249.db2.gz OOVNKVVWPVZFOC-YVECIDJPSA-N -1 0 315.366 0.661 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2c(C)noc2C)C1 ZINC000021814593 293924614 /nfs/dbraw/zinc/92/46/14/293924614.db2.gz CLAGCKRDHNLOCW-RKDXNWHRSA-N -1 0 304.324 0.154 10 0 DCAERM Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c(C)s1 ZINC000037414629 301394434 /nfs/dbraw/zinc/39/44/34/301394434.db2.gz UUEUMNKLXIWDFB-DTWKUNHWSA-N -1 0 305.377 0.573 10 0 DCAERM NC(=O)CSCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262474797 303254698 /nfs/dbraw/zinc/25/46/98/303254698.db2.gz XEGIAWVFGGZBOA-UTLUCORTSA-N -1 0 300.380 0.449 10 0 DCAERM Cc1c(S(=O)(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cnn1C ZINC000570211934 332726247 /nfs/dbraw/zinc/72/62/47/332726247.db2.gz KNBUGDOWAGTCLX-WPRPVWTQSA-N -1 0 301.368 0.460 10 0 DCAERM C[C@H](CCNS(=O)(=O)c1c(Cl)cnn1C)CC(=O)[O-] ZINC000392971335 337082197 /nfs/dbraw/zinc/08/21/97/337082197.db2.gz UVTFTJZWPTVFAW-SSDOTTSWSA-N -1 0 309.775 0.853 10 0 DCAERM CC[C@H](NC(=O)NCCCc1nnc2ccccn21)C(=O)[O-] ZINC000582565202 337109739 /nfs/dbraw/zinc/10/97/39/337109739.db2.gz NLJMLGZOQNYLNL-JTQLQIEISA-N -1 0 305.338 0.824 10 0 DCAERM CCOC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000584604673 337371398 /nfs/dbraw/zinc/37/13/98/337371398.db2.gz DMZSKQCBHUKQDJ-UHFFFAOYSA-N -1 0 315.347 0.633 10 0 DCAERM C[C@@]1(C(=O)[O-])C[C@@](O)(CO)CN1C(=O)OCc1ccccc1 ZINC000584656733 337378108 /nfs/dbraw/zinc/37/81/08/337378108.db2.gz UMVOZNFAIMJPQC-GJZGRUSLSA-N -1 0 309.318 0.596 10 0 DCAERM C/C=C/C[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-] ZINC000262891491 518532975 /nfs/dbraw/zinc/53/29/75/518532975.db2.gz ALVNPWCXLDOWPW-ORAHPGNNSA-N -1 0 303.322 0.890 10 0 DCAERM NC(=O)c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)cc1 ZINC000262158477 527040520 /nfs/dbraw/zinc/04/05/20/527040520.db2.gz PQTWDLFALFQXQI-OLZOCXBDSA-N -1 0 302.330 0.968 10 0 DCAERM Cn1nc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])ccc1=O ZINC000237821539 527545158 /nfs/dbraw/zinc/54/51/58/527545158.db2.gz SAEOUBUYCVACIE-GFCCVEGCSA-N -1 0 315.329 0.454 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)o1 ZINC000085976728 545706827 /nfs/dbraw/zinc/70/68/27/545706827.db2.gz ZRTYLUYRKJLMGE-IUCAKERBSA-N -1 0 303.336 0.807 10 0 DCAERM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](CC)C(=O)[O-] ZINC000249916113 545973166 /nfs/dbraw/zinc/97/31/66/545973166.db2.gz LRYNEXNXSLULFS-WDEREUQCSA-N -1 0 320.411 0.418 10 0 DCAERM [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004533516 571686317 /nfs/dbraw/zinc/68/63/17/571686317.db2.gz XMAUFHMAAVTODF-OLZOCXBDSA-N -1 0 302.334 0.092 10 0 endogenous,in-man DCAERM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722334264 660847692 /nfs/dbraw/zinc/84/76/92/660847692.db2.gz PKXRJLDTBCLKRS-QWRGUYRKSA-N -1 0 306.384 0.185 10 0 DCAERM CC(C)(C)OC(=O)N[C@@](C)(CC(=O)[O-])C1CS(=O)(=O)C1 ZINC000757154604 658615986 /nfs/dbraw/zinc/61/59/86/658615986.db2.gz HPBBXOFZNINZEL-LBPRGKRZSA-N -1 0 307.368 0.789 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C[C@@H](C)O1 ZINC000312745937 659475377 /nfs/dbraw/zinc/47/53/77/659475377.db2.gz YNNQJUGAIJBMBW-RKDXNWHRSA-N -1 0 300.336 0.578 10 0 DCAERM Cn1ccc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])cc1=O ZINC000262073549 662017615 /nfs/dbraw/zinc/01/76/15/662017615.db2.gz ASVKGWGOCKWVSX-NSHDSACASA-N -1 0 310.350 0.774 10 0 DCAERM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@]1(C)CCCO1 ZINC000262533022 662466480 /nfs/dbraw/zinc/46/64/80/662466480.db2.gz PPPYOFDGPFJTER-OAHLLOKOSA-N -1 0 312.366 0.337 10 0 DCAERM CCn1nc(C)c(CC(=O)N2CCC[C@@H]2c2nnn[n-]2)c1C ZINC000900397432 663240888 /nfs/dbraw/zinc/24/08/88/663240888.db2.gz VKLZYEVKODHJOP-GFCCVEGCSA-N -1 0 303.370 0.939 10 0 DCAERM CO[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[C@@H]1C ZINC000228018090 664542707 /nfs/dbraw/zinc/54/27/07/664542707.db2.gz LGSSLXWWROFYRU-GZMMTYOYSA-N -1 0 302.352 0.758 10 0 DCAERM CCC[C@@H](C)C(=O)NCCNC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263361998 665394506 /nfs/dbraw/zinc/39/45/06/665394506.db2.gz KPLGUPHNUUDJSI-GHMZBOCLSA-N -1 0 301.387 0.901 10 0 DCAERM COCCCNC(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1 ZINC000183469651 666049928 /nfs/dbraw/zinc/04/99/28/666049928.db2.gz DXFHDVZRXYWUBI-LLVKDONJSA-N -1 0 315.333 0.443 10 0 DCAERM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc2nccn2c1 ZINC000733968881 666833398 /nfs/dbraw/zinc/83/33/98/666833398.db2.gz YDSPOESBEYZZAI-UHFFFAOYSA-N -1 0 309.289 0.358 10 0 DCAERM O=C([O-])C1(O)CN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000706457952 667413344 /nfs/dbraw/zinc/41/33/44/667413344.db2.gz DWVMBWBDDPJPGE-UHFFFAOYSA-N -1 0 309.702 0.299 10 0 DCAERM COC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000105767079 672223920 /nfs/dbraw/zinc/22/39/20/672223920.db2.gz IWVYLSKBAUMAPI-LLVKDONJSA-N -1 0 312.391 0.688 10 0 DCAERM O=C([O-])[C@H](Cc1cncs1)NS(=O)(=O)CCC1CC1 ZINC000719068160 685308643 /nfs/dbraw/zinc/30/86/43/685308643.db2.gz HBIMODBBIDSHBG-JTQLQIEISA-N -1 0 304.393 0.858 10 0 DCAERM COC[C@@](C)(NC(=O)NC[C@]1(OC)CCSC1)C(=O)[O-] ZINC000719225613 685309053 /nfs/dbraw/zinc/30/90/53/685309053.db2.gz BKGHTJPLHLYQAS-VXGBXAGGSA-N -1 0 306.384 0.297 10 0 DCAERM CC1(NS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC(F)(F)C1 ZINC000720985895 685317066 /nfs/dbraw/zinc/31/70/66/685317066.db2.gz NMHZRKKFJADDGK-MRVPVSSYSA-N -1 0 312.338 0.805 10 0 DCAERM O=C([O-])Cn1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000090720028 685103136 /nfs/dbraw/zinc/10/31/36/685103136.db2.gz VRXXTXDEBHXYMJ-SSDOTTSWSA-N -1 0 306.244 0.777 10 0 DCAERM Cc1ccn(C)c1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000190697667 685153932 /nfs/dbraw/zinc/15/39/32/685153932.db2.gz QAUSZYWHKAHWBH-UHFFFAOYSA-N -1 0 316.770 0.839 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000070310621 1173813871 /nfs/dbraw/zinc/81/38/71/1173813871.db2.gz LSELYSABPZTVHD-IUCAKERBSA-N -1 0 309.409 0.276 10 0 DCAERM CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000088374547 1175262131 /nfs/dbraw/zinc/26/21/31/1175262131.db2.gz QYKKJNXPKUWKPL-NSHDSACASA-N -1 0 313.331 0.016 10 0 DCAERM CC(C)C[C@H](NC(=O)c1cnc2ccccn2c1=O)C(=O)[O-] ZINC000236638841 1180677636 /nfs/dbraw/zinc/67/76/36/1180677636.db2.gz OEFMRYBWERVOQQ-NSHDSACASA-N -1 0 303.318 0.924 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000261596508 1184453241 /nfs/dbraw/zinc/45/32/41/1184453241.db2.gz AHEFNMSEEGZBDV-YUMQZZPRSA-N -1 0 321.255 0.602 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)c2ccccc2)C1 ZINC000261719575 1184937179 /nfs/dbraw/zinc/93/71/79/1184937179.db2.gz PXKULCSTZIHMCY-VXGBXAGGSA-N -1 0 306.318 0.117 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000262202508 1185163976 /nfs/dbraw/zinc/16/39/76/1185163976.db2.gz WJWQONBZNYOTNL-OLZOCXBDSA-N -1 0 305.330 0.865 10 0 DCAERM COc1ccc(CC(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])cc1OC ZINC000262424373 1185168752 /nfs/dbraw/zinc/16/87/52/1185168752.db2.gz FHGRSSVTFWIHOK-VXGBXAGGSA-N -1 0 323.345 0.947 10 0 DCAERM CCOc1ncccc1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262690392 1185171535 /nfs/dbraw/zinc/17/15/35/1185171535.db2.gz CBTSVCLKIWMNES-UHFFFAOYSA-N -1 0 305.294 0.086 10 0 DCAERM CCS(=O)(=O)N(C)CC(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263263277 1185178603 /nfs/dbraw/zinc/17/86/03/1185178603.db2.gz VBVXWLBHHLWNQE-UHFFFAOYSA-N -1 0 320.392 0.344 10 0 DCAERM Cc1nc(NCCN2CCCS2(=O)=O)sc1C(=O)[O-] ZINC000406020293 774190874 /nfs/dbraw/zinc/19/08/74/774190874.db2.gz ZMRIZVFENBXVSE-UHFFFAOYSA-N -1 0 305.381 0.019 10 0 DCAERM COCC(COC)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000688607486 954633156 /nfs/dbraw/zinc/63/31/56/954633156.db2.gz URYGDDOEWWBTKZ-NXEZZACHSA-N -1 0 309.384 0.020 10 0 DCAERM CCC[C@@H](CCO)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689199863 954643906 /nfs/dbraw/zinc/64/39/06/954643906.db2.gz DYDXDJHVXNGKTB-QWRGUYRKSA-N -1 0 308.400 0.169 10 0 DCAERM CCC(CC)[C@@H](O)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689202938 954644981 /nfs/dbraw/zinc/64/49/81/954644981.db2.gz SMRPZPPIDNAEOO-QWRGUYRKSA-N -1 0 308.400 0.167 10 0 DCAERM O=C([O-])[C@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC000697967411 954836929 /nfs/dbraw/zinc/83/69/29/954836929.db2.gz CZFOTIWOKXVGPH-GXSJLCMTSA-N -1 0 303.380 0.428 10 0 DCAERM O=C([O-])CN1CC[C@@H](S(=O)(=O)c2cccc(F)c2)C1=O ZINC000694897021 968953650 /nfs/dbraw/zinc/95/36/50/968953650.db2.gz BEILCEPSLGHIAM-SNVBAGLBSA-N -1 0 301.295 0.285 10 0 DCAERM COC[C@@]1(C(=O)[O-])CCN(Cc2nsc(N(C)C)n2)C1 ZINC000699075973 968974043 /nfs/dbraw/zinc/97/40/43/968974043.db2.gz JHPKYTVKQGTDES-GFCCVEGCSA-N -1 0 300.384 0.527 10 0 DCAERM C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000688093884 976167301 /nfs/dbraw/zinc/16/73/01/976167301.db2.gz FEPOGJFZXIQDFQ-JGVFFNPUSA-N -1 0 320.392 0.765 10 0 DCAERM CCN(CCS(C)(=O)=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000688460664 976180820 /nfs/dbraw/zinc/18/08/20/976180820.db2.gz YQKPYQUAAMIDEW-JTQLQIEISA-N -1 0 304.368 0.236 10 0 DCAERM CN(C)C(=O)OCCNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000688995171 976198101 /nfs/dbraw/zinc/19/81/01/976198101.db2.gz HOJDXIMUFKHIBP-UHFFFAOYSA-N -1 0 322.364 0.423 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000691337336 976353749 /nfs/dbraw/zinc/35/37/49/976353749.db2.gz SSWXXJVRVKHKGE-VHSXEESVSA-N -1 0 301.320 0.824 10 0 DCAERM C/C(=C\CNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000692446586 976483052 /nfs/dbraw/zinc/48/30/52/976483052.db2.gz RRKSHEZBEOYZLS-NAZIUFLLSA-N -1 0 304.368 0.236 10 0 DCAERM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211078 976682214 /nfs/dbraw/zinc/68/22/14/976682214.db2.gz HHPWSIVSMBVGST-POYBYMJQSA-N -1 0 309.365 0.369 10 0 DCAERM CSCC[C@H](NC(N)=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000694983494 976764373 /nfs/dbraw/zinc/76/43/73/976764373.db2.gz DETVKQZAQCGPSP-IUCAKERBSA-N -1 0 301.368 0.066 10 0 DCAERM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000695927478 976806546 /nfs/dbraw/zinc/80/65/46/976806546.db2.gz OBIZAXXPWVNGHF-ZDCRXTMVSA-N -1 0 301.364 0.133 10 0 DCAERM Cc1c2c(cc(=O)n1-c1cccnc1)[n-]n(-c1ncccn1)c2=O ZINC000072446261 191168838 /nfs/dbraw/zinc/16/88/38/191168838.db2.gz OPRATNGBBHFBOX-UHFFFAOYSA-N -1 0 320.312 0.963 10 0 DCAERM CCOCCCn1c(=O)c2ccccc2n(CC(=O)[O-])c1=O ZINC000073658564 191337520 /nfs/dbraw/zinc/33/75/20/191337520.db2.gz SKRLRFUQCBJYGC-UHFFFAOYSA-N -1 0 306.318 0.674 10 0 DCAERM NC(=O)c1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000166673887 291249093 /nfs/dbraw/zinc/24/90/93/291249093.db2.gz ROOXECJVNJRHPX-UHFFFAOYSA-N -1 0 312.347 0.319 10 0 DCAERM CCNc1cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c1 ZINC000006662101 181367578 /nfs/dbraw/zinc/36/75/78/181367578.db2.gz BMCYONWPAXGKRH-UHFFFAOYSA-N -1 0 309.365 0.712 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCCCS2(=O)=O)CCSC1 ZINC000167902776 304164157 /nfs/dbraw/zinc/16/41/57/304164157.db2.gz DTPFAEKPZVQZNI-GZMMTYOYSA-N -1 0 307.393 0.030 10 0 DCAERM O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000013995854 181917871 /nfs/dbraw/zinc/91/78/71/181917871.db2.gz KSSVCKCLSNBZLR-AATRIKPKSA-N -1 0 304.302 0.738 10 0 DCAERM COc1ccccc1NC(=O)CS(=O)(=O)CCC(=O)[O-] ZINC000019954567 182170210 /nfs/dbraw/zinc/17/02/10/182170210.db2.gz BSPPDJOKMFEHJP-UHFFFAOYSA-N -1 0 301.320 0.523 10 0 DCAERM O=C([O-])CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000021155144 182267529 /nfs/dbraw/zinc/26/75/29/182267529.db2.gz NYWFWLGBKJJXTI-UHFFFAOYSA-N -1 0 324.362 0.691 10 0 DCAERM C[C@@H]1C(=O)CC[C@H](C(=O)[N-]S(=O)(=O)C2COC2)C1(C)C ZINC000408475041 296254049 /nfs/dbraw/zinc/25/40/49/296254049.db2.gz AZVCQDMSQQDGMT-PSASIEDQSA-N -1 0 303.380 0.473 10 0 DCAERM COCCS(=O)(=O)Nc1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000042808281 183311471 /nfs/dbraw/zinc/31/14/71/183311471.db2.gz IRZJZKABHILFEN-UHFFFAOYSA-N -1 0 316.335 0.731 10 0 DCAERM O=C([O-])[C@@]1(NC(=O)Cc2cn3ccccc3n2)CCSC1 ZINC000043510268 183368800 /nfs/dbraw/zinc/36/88/00/183368800.db2.gz AFRIDFKKNBSNBL-CQSZACIVSA-N -1 0 305.359 0.953 10 0 DCAERM CS(=O)(=O)[N-]C(=O)CCNc1ncnc2c(F)cccc12 ZINC000302851199 533396313 /nfs/dbraw/zinc/39/63/13/533396313.db2.gz PZRJKTJTEYVRDV-UHFFFAOYSA-N -1 0 312.326 0.647 10 0 DCAERM C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2 ZINC000037413390 395726653 /nfs/dbraw/zinc/72/66/53/395726653.db2.gz ZAPHKADRPGVFEQ-SFYZADRCSA-N -1 0 312.347 0.884 10 0 DCAERM COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000133261159 395928992 /nfs/dbraw/zinc/92/89/92/395928992.db2.gz CNCFIKLZTQSYAI-DTWKUNHWSA-N -1 0 315.347 0.861 10 0 DCAERM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)CC1CC1)C(=O)[O-] ZINC000127050888 395914139 /nfs/dbraw/zinc/91/41/39/395914139.db2.gz IDAGGVCWUUHNJU-VIFPVBQESA-N -1 0 307.368 0.501 10 0 DCAERM COCCN(CCOC)C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000128406052 395918198 /nfs/dbraw/zinc/91/81/98/395918198.db2.gz SYEQGKYEWJLBDQ-NWDGAFQWSA-N -1 0 302.371 0.886 10 0 DCAERM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)s1 ZINC000130829662 395924246 /nfs/dbraw/zinc/92/42/46/395924246.db2.gz JEAPZYUHZWSCIJ-SNVBAGLBSA-N -1 0 315.376 0.894 10 0 DCAERM CC(C)CN(CC(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000227866713 395869864 /nfs/dbraw/zinc/86/98/64/395869864.db2.gz OOYMGMVNBXSIST-UHFFFAOYSA-N -1 0 309.775 0.805 10 0 DCAERM Cc1cc(CS(=O)(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])no1 ZINC000229213934 395874098 /nfs/dbraw/zinc/87/40/98/395874098.db2.gz DAUJTSYTYKHSDW-KWQFWETISA-N -1 0 302.352 0.998 10 0 DCAERM CC(C)CN(CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000059880888 395960108 /nfs/dbraw/zinc/96/01/08/395960108.db2.gz NJRASVGXXARBCN-GHMZBOCLSA-N -1 0 308.400 0.383 10 0 DCAERM CCN(C[C@@H](C)C(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000061224593 395966716 /nfs/dbraw/zinc/96/67/16/395966716.db2.gz SYFKZTYXSAWMOJ-NXEZZACHSA-N -1 0 306.384 0.268 10 0 DCAERM CCN(C[C@H](C)C(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000061224596 395966984 /nfs/dbraw/zinc/96/69/84/395966984.db2.gz SYFKZTYXSAWMOJ-VHSXEESVSA-N -1 0 306.384 0.268 10 0 DCAERM Cc1nc(S(=O)(=O)NCCc2ccc(C(=O)[O-])cc2)c[nH]1 ZINC000070418714 396101402 /nfs/dbraw/zinc/10/14/02/396101402.db2.gz FKJHZYGIFQGJSR-UHFFFAOYSA-N -1 0 309.347 0.937 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CCC(=O)[O-])cc1 ZINC000070312099 396101508 /nfs/dbraw/zinc/10/15/08/396101508.db2.gz DXJXFUVJVACRTH-SECBINFHSA-N -1 0 314.363 0.578 10 0 DCAERM O=C([O-])COCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160830219 396075578 /nfs/dbraw/zinc/07/55/78/396075578.db2.gz ORLDEKRRPVVENP-FZMZJTMJSA-N -1 0 300.355 0.424 10 0 DCAERM CCC[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC000263197183 396206036 /nfs/dbraw/zinc/20/60/36/396206036.db2.gz NEHMZILLFWYUEG-JTQLQIEISA-N -1 0 305.334 0.947 10 0 DCAERM Cn1c(=O)[nH]cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1=O ZINC000263221494 396206914 /nfs/dbraw/zinc/20/69/14/396206914.db2.gz YXPHBZLBLMCLBE-SECBINFHSA-N -1 0 311.338 0.495 10 0 DCAERM CC(=O)N[C@H](C)C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000262700978 396174128 /nfs/dbraw/zinc/17/41/28/396174128.db2.gz CFEGRBVVHYYOBG-SNVBAGLBSA-N -1 0 308.334 0.333 10 0 DCAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000262975403 396195627 /nfs/dbraw/zinc/19/56/27/396195627.db2.gz JBVDFKXMPHINRW-MNOVXSKESA-N -1 0 314.382 0.629 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000263006863 396197221 /nfs/dbraw/zinc/19/72/21/396197221.db2.gz MUAVKRXTIOGNFL-HNNXBMFYSA-N -1 0 314.382 0.489 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 ZINC000263095355 396201224 /nfs/dbraw/zinc/20/12/24/396201224.db2.gz QSZZVIXZPKYGQA-GMTAPVOTSA-N -1 0 314.382 0.628 10 0 DCAERM CCOCCOc1ccccc1C(=O)N[C@H](COC)C(=O)[O-] ZINC000263126636 396202221 /nfs/dbraw/zinc/20/22/21/396202221.db2.gz XMCDYLOHVYEDSK-GFCCVEGCSA-N -1 0 311.334 0.931 10 0 DCAERM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000263176863 396204389 /nfs/dbraw/zinc/20/43/89/396204389.db2.gz GSIWPZUXIAUSAO-GARJFASQSA-N -1 0 306.318 0.608 10 0 DCAERM O=C(NC[C@@H](O)CN1CCOCC1)c1cc(F)c([O-])c(F)c1 ZINC000186582253 396353297 /nfs/dbraw/zinc/35/32/97/396353297.db2.gz AGEBQZHFPDWPLI-SNVBAGLBSA-N -1 0 316.304 0.093 10 0 DCAERM Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)oc1C(=O)[O-] ZINC000630101682 396939932 /nfs/dbraw/zinc/93/99/32/396939932.db2.gz VZLTXOYIMWSNIM-QMMMGPOBSA-N -1 0 301.320 0.545 10 0 DCAERM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCOCC(F)(F)C2)N1C1CC1 ZINC000630668325 397075913 /nfs/dbraw/zinc/07/59/13/397075913.db2.gz DULHDDYLXGNGJW-GHMZBOCLSA-N -1 0 318.320 0.561 10 0 DCAERM C[C@@H](CN(C)C(=O)C1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000378180819 397207426 /nfs/dbraw/zinc/20/74/26/397207426.db2.gz XVQKKIAETZKWCQ-NSHDSACASA-N -1 0 306.366 0.872 10 0 DCAERM Cn1cc([C@@H](NS(=O)(=O)CCC2CCC2)C(=O)[O-])cn1 ZINC000380200568 397269401 /nfs/dbraw/zinc/26/94/01/397269401.db2.gz DUWLIXCBRPVWOZ-LLVKDONJSA-N -1 0 301.368 0.655 10 0 DCAERM Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cnn1C ZINC000384488843 397281652 /nfs/dbraw/zinc/28/16/52/397281652.db2.gz SEDVQGKLRIQDNI-WPRPVWTQSA-N -1 0 301.368 0.602 10 0 DCAERM CC[C@H](CCC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000391671293 397306313 /nfs/dbraw/zinc/30/63/13/397306313.db2.gz HELUNNXNZGIVEO-OUAUKWLOSA-N -1 0 308.400 0.573 10 0 DCAERM C[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1O ZINC000408094926 397347613 /nfs/dbraw/zinc/34/76/13/397347613.db2.gz JVXINWJEUPLMHL-GMSGAONNSA-N -1 0 304.306 0.279 10 0 DCAERM C[C@]1(C(=O)[N-]S(=O)(=O)C2CCCCC2)CCC(=O)NC1 ZINC000408479072 397358256 /nfs/dbraw/zinc/35/82/56/397358256.db2.gz LBIWIQABXBHHHB-ZDUSSCGKSA-N -1 0 302.396 0.681 10 0 DCAERM COCC1(C[N-]S(=O)(=O)c2scnc2C(=O)OC)CC1 ZINC000594476272 397558839 /nfs/dbraw/zinc/55/88/39/397558839.db2.gz JJRCBUAWJXUWIH-UHFFFAOYSA-N -1 0 320.392 0.635 10 0 DCAERM C[C@H]1CCC[C@@](NS(=O)(=O)c2ccnn2C)(C(=O)[O-])C1 ZINC000124127208 158238125 /nfs/dbraw/zinc/23/81/25/158238125.db2.gz KQQDIBZMLFHOTM-CABZTGNLSA-N -1 0 301.368 0.732 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000261611828 158722333 /nfs/dbraw/zinc/72/23/33/158722333.db2.gz DZBRJKCNSWVDSS-STQMWFEESA-N -1 0 306.318 0.959 10 0 DCAERM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)O1 ZINC000262267868 158791153 /nfs/dbraw/zinc/79/11/53/158791153.db2.gz GDNGJGWGLKARRM-RWMBFGLXSA-N -1 0 324.377 0.383 10 0 DCAERM CCCC(=O)N(CC(=O)[O-])C1CCN(S(=O)(=O)CC)CC1 ZINC000262675116 158833565 /nfs/dbraw/zinc/83/35/65/158833565.db2.gz ADBUOQKFKJCYMO-UHFFFAOYSA-N -1 0 320.411 0.514 10 0 DCAERM CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000262705462 158835182 /nfs/dbraw/zinc/83/51/82/158835182.db2.gz JJOWMVHVZUEZCA-JGVFFNPUSA-N -1 0 301.320 0.666 10 0 DCAERM CCNS(=O)(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262898706 158847484 /nfs/dbraw/zinc/84/74/84/158847484.db2.gz MCMVGHGGGKFOMF-GFCCVEGCSA-N -1 0 300.380 0.906 10 0 DCAERM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000263020615 158852922 /nfs/dbraw/zinc/85/29/22/158852922.db2.gz MCDVJZGKCYDWQV-MNOVXSKESA-N -1 0 315.329 0.718 10 0 DCAERM C[C@@H](C(=O)[O-])C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000263565045 158887738 /nfs/dbraw/zinc/88/77/38/158887738.db2.gz VGXISRITHMUTAT-MNOVXSKESA-N -1 0 307.350 0.848 10 0 DCAERM Cc1nc(=NC(=O)C2CCN(Cc3nccn3C)CC2)s[n-]1 ZINC000329457565 159094173 /nfs/dbraw/zinc/09/41/73/159094173.db2.gz QPBITMDCTSUCNV-UHFFFAOYSA-N -1 0 320.422 0.853 10 0 DCAERM CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408126336 160042688 /nfs/dbraw/zinc/04/26/88/160042688.db2.gz MYYOJPKIJWFKAF-MNOVXSKESA-N -1 0 301.368 0.430 10 0 DCAERM Cc1ncsc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408254111 160069947 /nfs/dbraw/zinc/06/99/47/160069947.db2.gz KXSCKHCTPCAYBX-SECBINFHSA-N -1 0 304.393 0.938 10 0 DCAERM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000408318669 160084067 /nfs/dbraw/zinc/08/40/67/160084067.db2.gz ZZOBMYNZUGYLRG-PRJMDXOYSA-N -1 0 300.302 0.477 10 0 DCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000408476621 160116560 /nfs/dbraw/zinc/11/65/60/160116560.db2.gz BKBRYIXQKKXHNC-GFCCVEGCSA-N -1 0 315.351 0.013 10 0 DCAERM C[C@@H]1Cc2cccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)c2O1 ZINC000408481173 160117594 /nfs/dbraw/zinc/11/75/94/160117594.db2.gz FGIWNYPRFGZQBR-MWLCHTKSSA-N -1 0 311.359 0.859 10 0 DCAERM Cc1nn(C)c2nc(C)c(C(=O)[N-]S(=O)(=O)C3COC3)cc12 ZINC000408482141 160117984 /nfs/dbraw/zinc/11/79/84/160117984.db2.gz ZHBZTEWYSMQWCP-UHFFFAOYSA-N -1 0 324.362 0.044 10 0 DCAERM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408481930 160117996 /nfs/dbraw/zinc/11/79/96/160117996.db2.gz YZYINPNSIZXVSZ-UHFFFAOYSA-N -1 0 324.362 0.113 10 0 DCAERM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2OCC[C@@H]2C)c1 ZINC000408490349 160119132 /nfs/dbraw/zinc/11/91/32/160119132.db2.gz AJGCYCHIUWBILK-GXSJLCMTSA-N -1 0 301.368 0.694 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)cn1C ZINC000408499703 160119652 /nfs/dbraw/zinc/11/96/52/160119652.db2.gz MKGZBPXVLMPJFC-UHFFFAOYSA-N -1 0 323.378 0.380 10 0 DCAERM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)c2C1 ZINC000408497819 160119761 /nfs/dbraw/zinc/11/97/61/160119761.db2.gz JYCPWXUKWMFXQM-ZJUUUORDSA-N -1 0 313.379 0.314 10 0 DCAERM CC(C)(C)C[C@@H](CC(=O)[O-])NC(=O)N1CCS(=O)(=O)CC1 ZINC000134755127 287018272 /nfs/dbraw/zinc/01/82/72/287018272.db2.gz PPKCWDJXMOBNKB-SNVBAGLBSA-N -1 0 320.411 0.706 10 0 DCAERM COC[C@@H](C)S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F ZINC000399733346 287231018 /nfs/dbraw/zinc/23/10/18/287231018.db2.gz USTLBCAEILIANM-HTQZYQBOSA-N -1 0 321.317 0.984 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)NCC[C@@H]2CCCO2)CC1 ZINC000038095975 415195145 /nfs/dbraw/zinc/19/51/45/415195145.db2.gz LWFCIUYHRJODLN-NSHDSACASA-N -1 0 306.384 0.187 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000036854505 415191022 /nfs/dbraw/zinc/19/10/22/415191022.db2.gz IUCADYVBSGYHIU-HBNTYKKESA-N -1 0 306.384 0.137 10 0 DCAERM O=C([O-])C1CCN(S(=O)(=O)NCCc2ccsc2)CC1 ZINC000049160274 415304321 /nfs/dbraw/zinc/30/43/21/415304321.db2.gz DHULBUCPGFVSKT-UHFFFAOYSA-N -1 0 318.420 0.922 10 0 DCAERM CCCCN(C)S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092436456 415539253 /nfs/dbraw/zinc/53/92/53/415539253.db2.gz XTTMCRLQZNIGCT-UHFFFAOYSA-N -1 0 306.306 0.912 10 0 DCAERM O=C(N[C@@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000178952836 416177633 /nfs/dbraw/zinc/17/76/33/416177633.db2.gz HVTZKURCNLVTOQ-YPMHNXCESA-N -1 0 304.346 0.902 10 0 DCAERM COc1n[nH]c(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)n1 ZINC000182991406 416235578 /nfs/dbraw/zinc/23/55/78/416235578.db2.gz SYGPYZOXKKGNGG-UHFFFAOYSA-N -1 0 314.305 0.853 10 0 DCAERM COCCN(CCOC)C(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263218964 416337367 /nfs/dbraw/zinc/33/73/67/416337367.db2.gz OQMAQPQFUZNUQW-RYUDHWBXSA-N -1 0 302.371 0.886 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)[C@H]1CNC(=O)C1 ZINC000195285304 416325961 /nfs/dbraw/zinc/32/59/61/416325961.db2.gz XGJRMQISJPLVCK-LLVKDONJSA-N -1 0 308.359 0.116 10 0 DCAERM COc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(C)c1 ZINC000439154288 416609124 /nfs/dbraw/zinc/60/91/24/416609124.db2.gz RSYBGSJTROPGCR-UHFFFAOYSA-N -1 0 310.335 0.778 10 0 DCAERM CC(=O)N1CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)C1 ZINC000424405021 416640786 /nfs/dbraw/zinc/64/07/86/416640786.db2.gz DBNNYYQWVFQWPZ-WCQYABFASA-N -1 0 313.398 0.996 10 0 DCAERM CCCc1nc(=NC(=O)N[C@@H](C)CN2CCOCC2)s[n-]1 ZINC000514802908 416676091 /nfs/dbraw/zinc/67/60/91/416676091.db2.gz HAUZEXVQEDQNCG-JTQLQIEISA-N -1 0 313.427 0.755 10 0 DCAERM CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000448991103 417114467 /nfs/dbraw/zinc/11/44/67/417114467.db2.gz JLRFGHLBHGHTON-RKDXNWHRSA-N -1 0 314.363 0.434 10 0 DCAERM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000526944567 417192616 /nfs/dbraw/zinc/19/26/16/417192616.db2.gz VIKFPCXZVCMJCE-BBBLOLIVSA-N -1 0 307.368 0.168 10 0 DCAERM CN(Cc1ccccc1)C(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC000643972692 417430361 /nfs/dbraw/zinc/43/03/61/417430361.db2.gz XFOMXMGEGHAMPT-LBPRGKRZSA-N -1 0 315.333 0.799 10 0 DCAERM C/C=C/C[C@H](NC(=O)NCc1nnc2n1CCCC2)C(=O)[O-] ZINC000575241672 417522906 /nfs/dbraw/zinc/52/29/06/417522906.db2.gz DTEUUBSIFUYTRD-PBKGFPTLSA-N -1 0 307.354 0.833 10 0 DCAERM Cc1nc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)c[nH]1 ZINC000487356612 287535640 /nfs/dbraw/zinc/53/56/40/287535640.db2.gz AENOIHBSLAVPEO-UHFFFAOYSA-N -1 0 321.362 0.960 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)CCC(=O)[O-] ZINC000263075435 277997741 /nfs/dbraw/zinc/99/77/41/277997741.db2.gz KGPIKMRIULILAM-LBPRGKRZSA-N -1 0 320.411 0.514 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000547555733 288057776 /nfs/dbraw/zinc/05/77/76/288057776.db2.gz IIECMHJALFIBQN-BXKDBHETSA-N -1 0 314.363 0.837 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)N(CC(=O)[O-])Cc1ccccn1 ZINC000547589633 288060663 /nfs/dbraw/zinc/06/06/63/288060663.db2.gz AADHONKVACXZLC-NSHDSACASA-N -1 0 313.379 0.697 10 0 DCAERM Cc1cc(F)ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000548533124 288151171 /nfs/dbraw/zinc/15/11/71/288151171.db2.gz AIDPKZYOIMSLPT-SKDRFNHKSA-N -1 0 317.338 0.902 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000551999067 288257050 /nfs/dbraw/zinc/25/70/50/288257050.db2.gz FGWJQOMJTSKGLS-UWVGGRQHSA-N -1 0 308.400 0.573 10 0 DCAERM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)O1 ZINC000263558722 289025979 /nfs/dbraw/zinc/02/59/79/289025979.db2.gz PWPXCAZEPDZRQP-ZRUFSTJUSA-N -1 0 312.366 0.095 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C[C@H](C)O1 ZINC000251546226 297050428 /nfs/dbraw/zinc/05/04/28/297050428.db2.gz BTUIOZUVPOZKRO-JFGNBEQYSA-N -1 0 306.384 0.280 10 0 DCAERM O=S(=O)([N-]CC(F)(F)F)N1CC[C@H]2OCCC[C@H]2C1 ZINC000249439741 304760105 /nfs/dbraw/zinc/76/01/05/304760105.db2.gz FKSVNFGARRMEJK-DTWKUNHWSA-N -1 0 302.318 0.884 10 0 DCAERM Cn1cnc(S(=O)(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000094744787 303018772 /nfs/dbraw/zinc/01/87/72/303018772.db2.gz FXJSHRJIOHIHLQ-ZJUUUORDSA-N -1 0 301.368 0.732 10 0 DCAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000583379333 332374325 /nfs/dbraw/zinc/37/43/25/332374325.db2.gz QLKXPCQCXGDJKR-QJPTWQEYSA-N -1 0 320.411 0.670 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)CC[C@@H]1C(=O)[O-] ZINC000380155636 332954332 /nfs/dbraw/zinc/95/43/32/332954332.db2.gz YFPQBUAAEIWIQK-SFYZADRCSA-N -1 0 321.786 0.805 10 0 DCAERM C[C@H](CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-] ZINC000392833605 337066261 /nfs/dbraw/zinc/06/62/61/337066261.db2.gz JEOFAYZBHLPYFA-MXWKQRLJSA-N -1 0 308.400 0.431 10 0 DCAERM C[C@H](CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)CC(=O)[O-] ZINC000392833609 337066270 /nfs/dbraw/zinc/06/62/70/337066270.db2.gz JEOFAYZBHLPYFA-VWYCJHECSA-N -1 0 308.400 0.431 10 0 DCAERM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000366332120 519524393 /nfs/dbraw/zinc/52/43/93/519524393.db2.gz UARZSWXNVXWQIJ-LBPRGKRZSA-N -1 0 318.395 0.124 10 0 DCAERM CC(C)CN(CC(=O)[O-])C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000236669351 519710229 /nfs/dbraw/zinc/71/02/29/519710229.db2.gz SXCBQGXGSBDEPD-UHFFFAOYSA-N -1 0 305.334 0.899 10 0 DCAERM Cc1ccc(C)n1-c1c(C(=O)N[C@H](CF)C(=O)[O-])cnn1C ZINC000262864860 524216782 /nfs/dbraw/zinc/21/67/82/524216782.db2.gz FMSUWDNMSPZAIO-LLVKDONJSA-N -1 0 308.313 0.980 10 0 DCAERM C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H](C(=O)[O-])O1 ZINC000191188662 524794123 /nfs/dbraw/zinc/79/41/23/524794123.db2.gz AZKPUQZKSMMYGR-BXKDBHETSA-N -1 0 303.318 0.806 10 0 DCAERM C[C@@]1(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CCCO1 ZINC000267953658 525814741 /nfs/dbraw/zinc/81/47/41/525814741.db2.gz IJJCFTDKKIENKB-VIFPVBQESA-N -1 0 306.369 0.417 10 0 DCAERM Cc1nn(C)c(C)c1OCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262212691 527653453 /nfs/dbraw/zinc/65/34/53/527653453.db2.gz SGXWTDIJGQFELT-ZDUSSCGKSA-N -1 0 313.379 0.492 10 0 DCAERM O=S(=O)(c1ccccc1[O-])N1CC[C@H](N2CCOCC2)C1 ZINC000211833948 545937882 /nfs/dbraw/zinc/93/78/82/545937882.db2.gz PJCKCBDIEPNWOO-LBPRGKRZSA-N -1 0 312.391 0.487 10 0 DCAERM COCCCn1ccc(=NC(=O)N=c2ncn(C(C)(C)C)[n-]2)[nH]1 ZINC000526068628 546284287 /nfs/dbraw/zinc/28/42/87/546284287.db2.gz XZDWDHTZAWPAGA-UHFFFAOYSA-N -1 0 321.385 0.754 10 0 DCAERM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CO[C@@]12CCS(=O)(=O)C2 ZINC000669380800 546964758 /nfs/dbraw/zinc/96/47/58/546964758.db2.gz PYMNEQSHCFDVDH-PRHODGIISA-N -1 0 321.351 0.222 10 0 DCAERM Cc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2C2CC2)nc(C)n1 ZINC000888101891 661181124 /nfs/dbraw/zinc/18/11/24/661181124.db2.gz QVTQDMKXSAPLNN-KGLIPLIRSA-N -1 0 318.377 0.790 10 0 DCAERM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NC1(CO)CC1 ZINC000160439507 658017223 /nfs/dbraw/zinc/01/72/23/658017223.db2.gz RFWJQRVZSNAHNU-UHFFFAOYSA-N -1 0 319.386 0.716 10 0 DCAERM Cc1sc(C)c(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1C ZINC000722563451 661389086 /nfs/dbraw/zinc/38/90/86/661389086.db2.gz IYFGQOAFXLQGTC-LBPRGKRZSA-N -1 0 319.404 0.883 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000237504828 663086900 /nfs/dbraw/zinc/08/69/00/663086900.db2.gz VVAQBLYARXLSQN-JTQLQIEISA-N -1 0 310.325 0.854 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCN(C(=O)C3CC3)CC2)O1 ZINC000901609131 663355308 /nfs/dbraw/zinc/35/53/08/663355308.db2.gz ZRAORQOCMQABGN-NEPJUHHUSA-N -1 0 310.350 0.090 10 0 DCAERM CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000165085766 664400133 /nfs/dbraw/zinc/40/01/33/664400133.db2.gz DSEFKZVUOGIQAJ-GFCCVEGCSA-N -1 0 316.423 0.880 10 0 DCAERM CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000170306207 664577066 /nfs/dbraw/zinc/57/70/66/664577066.db2.gz YJCSFMPXNUXSII-RYUDHWBXSA-N -1 0 301.364 0.893 10 0 DCAERM CC(=O)N1CSC[C@H]1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000448990336 666497142 /nfs/dbraw/zinc/49/71/42/666497142.db2.gz GWEMVWPYABGPBV-JTQLQIEISA-N -1 0 300.380 0.812 10 0 DCAERM CN1CCOC[C@H]1CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000700189803 666692131 /nfs/dbraw/zinc/69/21/31/666692131.db2.gz WAXGFOZRAQPKPE-MRVPVSSYSA-N -1 0 320.392 0.055 10 0 DCAERM CO[C@@](C)(CO)CNS(=O)(=O)c1ccc(Cl)nc1F ZINC000702554639 666969024 /nfs/dbraw/zinc/96/90/24/666969024.db2.gz BTZGVIFRHVONQF-SNVBAGLBSA-N -1 0 312.750 0.550 10 0 DCAERM CN(CCS(C)(=O)=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000704671329 667248264 /nfs/dbraw/zinc/24/82/64/667248264.db2.gz GBTYVQYYPKSMIZ-SNVBAGLBSA-N -1 0 306.384 0.173 10 0 DCAERM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@@H]2CCSC2)C1 ZINC000704922694 667267669 /nfs/dbraw/zinc/26/76/69/667267669.db2.gz KZKWGKQYEFVHIR-GHMZBOCLSA-N -1 0 322.452 0.761 10 0 DCAERM O=C([O-])[C@]1(N2CCN(C(=O)c3ccc(F)cc3)CC2)CCOC1 ZINC000886096942 667731614 /nfs/dbraw/zinc/73/16/14/667731614.db2.gz PLNHBDOYKOOTMH-INIZCTEOSA-N -1 0 322.336 0.827 10 0 DCAERM Cc1c[nH]cc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886097278 667732453 /nfs/dbraw/zinc/73/24/53/667732453.db2.gz YTRDVFCVKDWKTL-HNNXBMFYSA-N -1 0 307.350 0.325 10 0 DCAERM CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000037415017 668095262 /nfs/dbraw/zinc/09/52/62/668095262.db2.gz XMDOHZUZJXWJHX-GZMMTYOYSA-N -1 0 314.363 0.563 10 0 DCAERM COC(C)(C)[C@H](C)NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000720056998 685311447 /nfs/dbraw/zinc/31/14/47/685311447.db2.gz NDCFGPMFXVBMHA-VHSXEESVSA-N -1 0 308.400 0.431 10 0 DCAERM CC[C@H](CNS(=O)(=O)c1ccc(C(=O)NC)cc1)C(=O)[O-] ZINC000087498378 685090940 /nfs/dbraw/zinc/09/09/40/685090940.db2.gz RLZQPNGRHMCAFP-SECBINFHSA-N -1 0 314.363 0.435 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC000261600584 1184457180 /nfs/dbraw/zinc/45/71/80/1184457180.db2.gz BNMUYXBVWZGGKI-WDEREUQCSA-N -1 0 307.306 0.491 10 0 DCAERM O=C([O-])Cn1cc(CNC(=O)CCCOc2ccccc2)nn1 ZINC000261948253 1185159596 /nfs/dbraw/zinc/15/95/96/1185159596.db2.gz VWSWOTAFBQAZJB-UHFFFAOYSA-N -1 0 318.333 0.838 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cn3ccc(C)cc3n2)C1 ZINC000262115549 1185162530 /nfs/dbraw/zinc/16/25/30/1185162530.db2.gz HQXPIVSTBRKBOQ-PWSUYJOCSA-N -1 0 303.318 0.957 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC000262136777 1185162871 /nfs/dbraw/zinc/16/28/71/1185162871.db2.gz LJKFMTUYVMMPKG-MVWJERBFSA-N -1 0 312.366 0.382 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000262547801 1185169634 /nfs/dbraw/zinc/16/96/34/1185169634.db2.gz RYSRNSGQJPVQGN-WCQYABFASA-N -1 0 316.317 0.581 10 0 DCAERM CO[C@@H](CNC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(=O)[O-] ZINC000263152309 1185176682 /nfs/dbraw/zinc/17/66/82/1185176682.db2.gz XCCLOUZPNBTCHB-OLZOCXBDSA-N -1 0 308.334 0.470 10 0 DCAERM CCOC(=O)[C@]1(COC)CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC000263410508 1185177950 /nfs/dbraw/zinc/17/79/50/1185177950.db2.gz MDGWPUDXGVYTPD-OAHLLOKOSA-N -1 0 323.349 0.971 10 0 DCAERM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC000263467516 1185178335 /nfs/dbraw/zinc/17/83/35/1185178335.db2.gz GOUSVQPNPQLOAQ-UWVGGRQHSA-N -1 0 307.368 0.453 10 0 DCAERM O=C([O-])CN1CC[C@H](N2CCC=C(Br)C2)C1=O ZINC000694768614 968948900 /nfs/dbraw/zinc/94/89/00/968948900.db2.gz RUBRPEPGSSZWJV-VIFPVBQESA-N -1 0 303.156 0.656 10 0 DCAERM CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000713259502 941007272 /nfs/dbraw/zinc/00/72/72/941007272.db2.gz LDCLWJDPYWNBIF-KBPBESRZSA-N -1 0 322.361 0.103 10 0 DCAERM CC[C@@H](C)[C@@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])OC ZINC000689222415 954647002 /nfs/dbraw/zinc/64/70/02/954647002.db2.gz IIJJFOAIIVOIAP-OUAUKWLOSA-N -1 0 308.400 0.431 10 0 DCAERM C[C@H](CN(C)C(=O)c1c(Br)cnn1C)C(=O)[O-] ZINC000693058517 954727767 /nfs/dbraw/zinc/72/77/67/954727767.db2.gz CRIBUAPRHQYBCH-ZCFIWIBFSA-N -1 0 304.144 0.975 10 0 DCAERM O=C([O-])Cn1cc(C(=O)NCCSCC(F)(F)F)nn1 ZINC000698883073 954846993 /nfs/dbraw/zinc/84/69/93/954846993.db2.gz BEPOHQUUBKKICF-UHFFFAOYSA-N -1 0 312.273 0.388 10 0 DCAERM O=C([O-])COCCNC(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000698751144 954847997 /nfs/dbraw/zinc/84/79/97/954847997.db2.gz LJCGETVLGXDUOG-ZETCQYMHSA-N -1 0 300.233 0.060 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000687074804 976132952 /nfs/dbraw/zinc/13/29/52/976132952.db2.gz IZDGLEWYRSUBOZ-NSHDSACASA-N -1 0 321.786 0.995 10 0 DCAERM C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000690445402 976296075 /nfs/dbraw/zinc/29/60/75/976296075.db2.gz HKXIHZJYQMCHKQ-WCBMZHEXSA-N -1 0 306.384 0.220 10 0 DCAERM Cn1nc(Br)cc1CN1CCOC[C@H]1CC(=O)[O-] ZINC000691604025 976375486 /nfs/dbraw/zinc/37/54/86/976375486.db2.gz GHWKOCXYJQUBLD-SECBINFHSA-N -1 0 318.171 0.858 10 0 DCAERM CCN(C(=O)NC/C=C(\C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000692419469 976458427 /nfs/dbraw/zinc/45/84/27/976458427.db2.gz RZIUVIPQACFISL-WXLQGSQKSA-N -1 0 304.368 0.236 10 0 DCAERM Cn1ncc(Br)c1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000693062829 976586936 /nfs/dbraw/zinc/58/69/36/976586936.db2.gz WUXCANZCBMVTTQ-ZCFIWIBFSA-N -1 0 302.128 0.729 10 0 DCAERM CCS(=O)(=O)C1(CNC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC000693487676 976639781 /nfs/dbraw/zinc/63/97/81/976639781.db2.gz BQODDFBHMYMXQS-UHFFFAOYSA-N -1 0 300.336 0.410 10 0 DCAERM CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694172599 976674684 /nfs/dbraw/zinc/67/46/84/976674684.db2.gz HVXLMFYKKWLNMC-WCBMZHEXSA-N -1 0 303.336 0.759 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)NCC2(O)CCCCC2)c1 ZINC000694190380 976678058 /nfs/dbraw/zinc/67/80/58/976678058.db2.gz VKKISXNYGPBQOV-UHFFFAOYSA-N -1 0 303.336 0.951 10 0 DCAERM CCCCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694208583 976680396 /nfs/dbraw/zinc/68/03/96/976680396.db2.gz HKTWKNKVMZHZEU-UHFFFAOYSA-N -1 0 304.324 0.254 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C[C@]1(C)CO ZINC000694664506 976708126 /nfs/dbraw/zinc/70/81/26/976708126.db2.gz BQEHEWASEDGHGZ-PRHODGIISA-N -1 0 303.336 0.617 10 0 DCAERM C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cscn1 ZINC000697831288 976863830 /nfs/dbraw/zinc/86/38/30/976863830.db2.gz DZYDCKUTCGIGNA-QMMMGPOBSA-N -1 0 319.408 0.835 10 0 DCAERM O=C([O-])c1cn(-c2ccccc2Br)c(=O)[nH]c1=O ZINC000001676609 180886892 /nfs/dbraw/zinc/88/68/92/180886892.db2.gz MMGCYPPWHFGZNI-UHFFFAOYSA-N -1 0 311.091 0.987 10 0 DCAERM COCc1cc2nn(CC(=O)[O-])c(=O)n2c(-c2cccnc2)n1 ZINC000073695119 191342986 /nfs/dbraw/zinc/34/29/86/191342986.db2.gz ZTXJMCJWANYYIA-UHFFFAOYSA-N -1 0 315.289 0.184 10 0 DCAERM O=C([O-])C[C@@H]1COCCN1C(=O)CN1CCc2ccccc21 ZINC000263347214 304077933 /nfs/dbraw/zinc/07/79/33/304077933.db2.gz ZNNMENQPLRWLNL-CYBMUJFWSA-N -1 0 304.346 0.751 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)[C@@H]1C(=O)[O-] ZINC000299900200 291251304 /nfs/dbraw/zinc/25/13/04/291251304.db2.gz NONBTZIVSVEVBM-ZDCRXTMVSA-N -1 0 306.384 0.135 10 0 DCAERM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263479404 291389189 /nfs/dbraw/zinc/38/91/89/291389189.db2.gz KJWUXDGOADBRIG-IVZWLZJFSA-N -1 0 307.368 0.310 10 0 DCAERM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263479405 291389207 /nfs/dbraw/zinc/38/92/07/291389207.db2.gz KJWUXDGOADBRIG-OPRDCNLKSA-N -1 0 307.368 0.310 10 0 DCAERM C[C@H](O)[C@H](NC(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000020480843 182222351 /nfs/dbraw/zinc/22/23/51/182222351.db2.gz PSJZGUXSEQRPEZ-XNCJUZBTSA-N -1 0 303.112 0.408 10 0 DCAERM CSCC[C@@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-] ZINC000020564773 182233101 /nfs/dbraw/zinc/23/31/01/182233101.db2.gz OUEYAISCWWQBLY-LLVKDONJSA-N -1 0 310.375 0.739 10 0 DCAERM Cc1nccc(CNS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])n1 ZINC000038037562 182976155 /nfs/dbraw/zinc/97/61/55/182976155.db2.gz DRICHWTULHBERJ-NSHDSACASA-N -1 0 314.367 0.059 10 0 DCAERM COc1ccc(C)cc1NC(=O)CN1C[C@H](C(=O)[O-])CC1=O ZINC000065433028 184344196 /nfs/dbraw/zinc/34/41/96/184344196.db2.gz QQAFGYNLMWLIMN-SNVBAGLBSA-N -1 0 306.318 0.875 10 0 DCAERM COCCOCC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262519153 533051860 /nfs/dbraw/zinc/05/18/60/533051860.db2.gz DKCJHGDDCFJGQD-QMMMGPOBSA-N -1 0 302.352 0.990 10 0 DCAERM O=C([O-])[C@H]1CC(=O)N([C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000011850221 395686847 /nfs/dbraw/zinc/68/68/47/395686847.db2.gz MHYYYHBRGFEJBB-GJZGRUSLSA-N -1 0 318.373 0.993 10 0 DCAERM COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1F ZINC000037421184 395727230 /nfs/dbraw/zinc/72/72/30/395727230.db2.gz LODOXKIKGCQXJU-OIBJUYFYSA-N -1 0 319.310 0.043 10 0 DCAERM C/C(=C/C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000096437876 395753275 /nfs/dbraw/zinc/75/32/75/395753275.db2.gz PETODDKGLWJDAX-HJWRWDBZSA-N -1 0 312.347 0.024 10 0 DCAERM Nc1ccc([C@@H](O)[C@H](NC(=O)C(Cl)Cl)C(=O)[O-])cc1 ZINC000097949378 395761398 /nfs/dbraw/zinc/76/13/98/395761398.db2.gz KEASGHAYYMNFPY-JGVFFNPUSA-N -1 0 307.133 0.675 10 0 DCAERM CSc1nn(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000194577587 395800289 /nfs/dbraw/zinc/80/02/89/395800289.db2.gz ASIRYSGDDFMZPO-NXEZZACHSA-N -1 0 312.395 0.463 10 0 DCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCCC(F)(F)F ZINC000134120092 395930394 /nfs/dbraw/zinc/93/03/94/395930394.db2.gz QBEIEEBLTBYSQZ-UHFFFAOYSA-N -1 0 301.246 0.729 10 0 DCAERM CCn1cnc(S(=O)(=O)N2CCCC[C@]2(C)C(=O)[O-])c1 ZINC000132891979 395927551 /nfs/dbraw/zinc/92/75/51/395927551.db2.gz DMYPFDHMCVYDCK-GFCCVEGCSA-N -1 0 301.368 0.921 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000230812031 395881770 /nfs/dbraw/zinc/88/17/70/395881770.db2.gz VPRBFUXVZLETQO-RNFRBKRXSA-N -1 0 307.759 0.557 10 0 DCAERM C[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)CC(=O)[O-] ZINC000147289807 395966624 /nfs/dbraw/zinc/96/66/24/395966624.db2.gz WXBQZBLFWAAWGB-QMMMGPOBSA-N -1 0 300.336 0.175 10 0 DCAERM Nc1ccc(I)cc1-c1n[nH]c(=O)[n-]1 ZINC000062824390 395973460 /nfs/dbraw/zinc/97/34/60/395973460.db2.gz RFVQCIKZTLQNFB-UHFFFAOYSA-N -1 0 302.075 0.952 10 0 DCAERM O=C([O-])c1cc(O)ccc1NC(=O)C(=S)N1CCOCC1 ZINC000256029694 396033148 /nfs/dbraw/zinc/03/31/48/396033148.db2.gz CKJQZXJVVGNFND-UHFFFAOYSA-N -1 0 310.331 0.689 10 0 DCAERM CCCn1nccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000066253316 396003953 /nfs/dbraw/zinc/00/39/53/396003953.db2.gz WSGIZGPFSHQYOT-UHFFFAOYSA-N -1 0 311.367 0.531 10 0 DCAERM C[C@H]1CN(S(=O)(=O)NCC2(C(=O)[O-])CCC2)C[C@H](C)O1 ZINC000166666495 396088188 /nfs/dbraw/zinc/08/81/88/396088188.db2.gz PAKMGNBZCSHTJB-UWVGGRQHSA-N -1 0 306.384 0.185 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)NCC2(C(=O)[O-])CCC2)C[C@@H](C)O1 ZINC000166666609 396088403 /nfs/dbraw/zinc/08/84/03/396088403.db2.gz PAKMGNBZCSHTJB-NXEZZACHSA-N -1 0 306.384 0.185 10 0 DCAERM COCCN(CCOC)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000165427305 396088452 /nfs/dbraw/zinc/08/84/52/396088452.db2.gz OHCKKGYHFDQSRW-RISCZKNCSA-N -1 0 302.371 0.934 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000070309944 396101519 /nfs/dbraw/zinc/10/15/19/396101519.db2.gz QBRYTUZTQAYLQO-ZJUUUORDSA-N -1 0 306.384 0.028 10 0 DCAERM CCOC(=O)CCS(=O)(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070556205 396102896 /nfs/dbraw/zinc/10/28/96/396102896.db2.gz BIWAVVGYAKIKPO-ZJUUUORDSA-N -1 0 307.368 0.502 10 0 DCAERM CCOCCC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262486044 396146313 /nfs/dbraw/zinc/14/63/13/396146313.db2.gz FJYZLSLLMRRTIJ-UHFFFAOYSA-N -1 0 300.355 0.195 10 0 DCAERM O=C([O-])[C@@H](CC(F)F)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000262884025 396189836 /nfs/dbraw/zinc/18/98/36/396189836.db2.gz CJCYGMLMKCYFHU-MRVPVSSYSA-N -1 0 313.260 0.554 10 0 DCAERM CCOCCOc1ccccc1C(=O)N[C@@H](COC)C(=O)[O-] ZINC000263126637 396201923 /nfs/dbraw/zinc/20/19/23/396201923.db2.gz XMCDYLOHVYEDSK-LBPRGKRZSA-N -1 0 311.334 0.931 10 0 DCAERM CN(CCC(=O)[O-])C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000263172205 396204324 /nfs/dbraw/zinc/20/43/24/396204324.db2.gz DIALUJGRZARZSA-LBPRGKRZSA-N -1 0 320.349 0.693 10 0 DCAERM NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263170321 396204582 /nfs/dbraw/zinc/20/45/82/396204582.db2.gz FUJVBLJKSKGOOA-FRRDWIJNSA-N -1 0 304.346 0.700 10 0 DCAERM O=C(c1cc(F)cc2n[nH]nc21)N1CC[C@]2(CNC(=O)C2)C1 ZINC000281930451 396249653 /nfs/dbraw/zinc/24/96/53/396249653.db2.gz BDGQWLNTWRXNEU-AWEZNQCLSA-N -1 0 303.297 0.449 10 0 DCAERM NC(=O)c1cccc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1 ZINC000183403105 396269151 /nfs/dbraw/zinc/26/91/51/396269151.db2.gz XHNNTAWQGXKTRT-UHFFFAOYSA-N -1 0 308.319 0.847 10 0 DCAERM C[C@H](CN(C)C(=O)Cn1c2ccccc2[nH]c1=O)c1nnn[n-]1 ZINC000183395754 396269352 /nfs/dbraw/zinc/26/93/52/396269352.db2.gz WXDFRULLLARMJL-SECBINFHSA-N -1 0 315.337 0.105 10 0 DCAERM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)n1 ZINC000185714317 396333736 /nfs/dbraw/zinc/33/37/36/396333736.db2.gz NZPGSMRSDAMCQN-UHFFFAOYSA-N -1 0 306.347 0.993 10 0 DCAERM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 ZINC000190639386 396408832 /nfs/dbraw/zinc/40/88/32/396408832.db2.gz VXJMXXYVZZFUEN-LLVKDONJSA-N -1 0 301.306 0.849 10 0 DCAERM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1c(F)cc(F)cc1F ZINC000625593446 396940351 /nfs/dbraw/zinc/94/03/51/396940351.db2.gz AVJJFUOLFCRNEX-UWVGGRQHSA-N -1 0 311.281 0.532 10 0 DCAERM CCn1cc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCO2)nc1C ZINC000408270688 397352015 /nfs/dbraw/zinc/35/20/15/397352015.db2.gz XTLZYEKEXMBQKD-LBPRGKRZSA-N -1 0 301.368 0.585 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000036983537 157987853 /nfs/dbraw/zinc/98/78/53/157987853.db2.gz ASTVRMXBUPPKQX-GXSJLCMTSA-N -1 0 321.301 0.827 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000037327341 157988128 /nfs/dbraw/zinc/98/81/28/157988128.db2.gz ITLYVAQQGPHGGZ-WCBMZHEXSA-N -1 0 321.301 0.827 10 0 DCAERM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@H](c2nccs2)C1 ZINC000114630779 158154772 /nfs/dbraw/zinc/15/47/72/158154772.db2.gz KZFPHIUFEGZCCZ-JTQLQIEISA-N -1 0 320.374 0.399 10 0 DCAERM O=C([O-])C1(NS(=O)(=O)c2ccccc2F)CCOCC1 ZINC000131802550 158305944 /nfs/dbraw/zinc/30/59/44/158305944.db2.gz PCGHBVYXOUELPV-UHFFFAOYSA-N -1 0 303.311 0.738 10 0 DCAERM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000132566458 158311696 /nfs/dbraw/zinc/31/16/96/158311696.db2.gz WSHZWXIJNUQFDC-GJMOJQLCSA-N -1 0 310.272 0.623 10 0 DCAERM O=C([O-])CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562715 158374923 /nfs/dbraw/zinc/37/49/23/158374923.db2.gz MTHIAUXTEGJVJP-VIFPVBQESA-N -1 0 320.301 0.359 10 0 DCAERM CO[C@H](CNC(=O)[C@@H](C)NC(=O)CC1CCCCC1)C(=O)[O-] ZINC000263061289 158853900 /nfs/dbraw/zinc/85/39/00/158853900.db2.gz HTERLEKPBXIHIH-ZYHUDNBSSA-N -1 0 314.382 0.677 10 0 DCAERM O=C([O-])c1ccnc(C(=O)NCCCOC[C@@H]2CCOC2)c1 ZINC000263393884 158876154 /nfs/dbraw/zinc/87/61/54/158876154.db2.gz GYJGOLVVFFMHKP-NSHDSACASA-N -1 0 308.334 0.953 10 0 DCAERM CO[C@@H](C)c1nc(=N[C@@H]2CCN(c3cnn(C)c3)C2=O)s[n-]1 ZINC000367166067 159318078 /nfs/dbraw/zinc/31/80/78/159318078.db2.gz QYABYKGDBJJRGU-WCBMZHEXSA-N -1 0 322.394 0.618 10 0 DCAERM CCOCCS(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000377153621 159902197 /nfs/dbraw/zinc/90/21/97/159902197.db2.gz JUIFCQZSCVTONH-QMMMGPOBSA-N -1 0 301.311 0.395 10 0 DCAERM CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408146479 160047465 /nfs/dbraw/zinc/04/74/65/160047465.db2.gz PGYQDHHXYXWBCB-QWRGUYRKSA-N -1 0 315.395 0.739 10 0 DCAERM Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000408230543 160064901 /nfs/dbraw/zinc/06/49/01/160064901.db2.gz BWRNRJSACDRKTD-LBPRGKRZSA-N -1 0 316.404 0.778 10 0 DCAERM CC(C)[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408259771 160071274 /nfs/dbraw/zinc/07/12/74/160071274.db2.gz QBMCEUHEUVPWPS-XQQFMLRXSA-N -1 0 319.423 0.920 10 0 DCAERM C[C@H]1CC[C@@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)O1 ZINC000408318602 160084078 /nfs/dbraw/zinc/08/40/78/160084078.db2.gz DOGXVIQGWJYBFJ-WDSKDSINSA-N -1 0 306.369 0.416 10 0 DCAERM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408386654 160097319 /nfs/dbraw/zinc/09/73/19/160097319.db2.gz QQLMBLFJEOIKQY-OAHLLOKOSA-N -1 0 304.302 0.954 10 0 DCAERM CO[C@@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000408491232 160119300 /nfs/dbraw/zinc/11/93/00/160119300.db2.gz GPQCAWFHGTZWJG-NWDGAFQWSA-N -1 0 305.396 0.674 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1sccc1Cl ZINC000408500172 160119692 /nfs/dbraw/zinc/11/96/92/160119692.db2.gz PKQDVCZKZGOOPP-QMMMGPOBSA-N -1 0 324.811 0.537 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000408503350 160120425 /nfs/dbraw/zinc/12/04/25/160120425.db2.gz VAFWUGOAKUJINC-LBPRGKRZSA-N -1 0 304.412 0.343 10 0 DCAERM CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000408502902 160120497 /nfs/dbraw/zinc/12/04/97/160120497.db2.gz RNJDDCPGHLONGA-UWVGGRQHSA-N -1 0 301.368 0.430 10 0 DCAERM CCn1cnc(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)c1 ZINC000092890291 286937390 /nfs/dbraw/zinc/93/73/90/286937390.db2.gz KLICIEJSIDQPRF-UHFFFAOYSA-N -1 0 315.273 0.541 10 0 DCAERM O=C([O-])c1csc(CNS(=O)(=O)c2cncc(F)c2)n1 ZINC000090932972 415530233 /nfs/dbraw/zinc/53/02/33/415530233.db2.gz VHOBGHCKZBLELZ-UHFFFAOYSA-N -1 0 317.323 0.854 10 0 DCAERM Cc1c(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])cnn1C ZINC000297096539 415951503 /nfs/dbraw/zinc/95/15/03/415951503.db2.gz YSAMRMOHUOMGMF-NXEZZACHSA-N -1 0 301.368 0.508 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000357062083 416028401 /nfs/dbraw/zinc/02/84/01/416028401.db2.gz WXSKXAHROKABTD-UHFFFAOYSA-N -1 0 323.316 0.374 10 0 DCAERM CNC(=O)[C@H](NS(=O)(=O)c1sccc1OC)C(C)C ZINC000178929577 416177708 /nfs/dbraw/zinc/17/77/08/416177708.db2.gz WEOMZTJXKNGMEB-SECBINFHSA-N -1 0 306.409 0.806 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000262124985 416336274 /nfs/dbraw/zinc/33/62/74/416336274.db2.gz GVDIATRTJJTLIH-VIFPVBQESA-N -1 0 314.363 0.458 10 0 DCAERM CC(=O)Nc1cccc(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000434869178 416501235 /nfs/dbraw/zinc/50/12/35/416501235.db2.gz OJCQHFLPCSNFPD-UHFFFAOYSA-N -1 0 302.290 0.697 10 0 DCAERM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(N3CCC3=O)cc2)O1 ZINC000540616820 416591953 /nfs/dbraw/zinc/59/19/53/416591953.db2.gz NJSYEIGUELOGSS-NEPJUHHUSA-N -1 0 304.302 0.994 10 0 DCAERM CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CO1 ZINC000408390926 417157966 /nfs/dbraw/zinc/15/79/66/417157966.db2.gz AWORGYRCCATXSF-SNVBAGLBSA-N -1 0 321.395 0.401 10 0 DCAERM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000569083790 417211278 /nfs/dbraw/zinc/21/12/78/417211278.db2.gz WUDBHLIZWODDNK-SRVKXCTJSA-N -1 0 324.381 0.800 10 0 DCAERM Cc1noc(C)c1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000663223938 418002586 /nfs/dbraw/zinc/00/25/86/418002586.db2.gz SQJNWWVAWPESLM-QWHCGFSZSA-N -1 0 307.350 0.988 10 0 DCAERM CCS(=O)(=O)C1(CNC(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC000659416176 418094453 /nfs/dbraw/zinc/09/44/53/418094453.db2.gz VRYOEXBMMYEMDM-VIFPVBQESA-N -1 0 306.384 0.316 10 0 DCAERM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)N=c1nc(CC)[n-]s1 ZINC000362667816 262058015 /nfs/dbraw/zinc/05/80/15/262058015.db2.gz RNTSIXZZWAOWCV-HTQZYQBOSA-N -1 0 300.384 0.391 10 0 DCAERM COc1nc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)n[n-]1 ZINC000182988821 278086372 /nfs/dbraw/zinc/08/63/72/278086372.db2.gz RNRPWFZGWKIVNM-UHFFFAOYSA-N -1 0 320.334 0.752 10 0 DCAERM Cc1nc(CNS(=O)(=O)N2CCC[C@H]2C)ccc1C(=O)[O-] ZINC000547901278 288090029 /nfs/dbraw/zinc/09/00/29/288090029.db2.gz SQVWQNJBXHWUQS-SECBINFHSA-N -1 0 313.379 0.907 10 0 DCAERM COc1ccccc1N(CCC(=O)[O-])S(=O)(=O)N(C)C ZINC000548206285 288121149 /nfs/dbraw/zinc/12/11/49/288121149.db2.gz SSLBBUYELLOHMT-UHFFFAOYSA-N -1 0 302.352 0.783 10 0 DCAERM C[C@H]1CCCN1S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F ZINC000551996652 288256715 /nfs/dbraw/zinc/25/67/15/288256715.db2.gz CCVIKXLCLRTMFD-YUMQZZPRSA-N -1 0 318.317 0.958 10 0 DCAERM CC1CCC(NC(=O)CN2CCCS2(=O)=O)(C(=O)[O-])CC1 ZINC000262156057 281750654 /nfs/dbraw/zinc/75/06/54/281750654.db2.gz MIZYSMWAKISZIY-UHFFFAOYSA-N -1 0 318.395 0.172 10 0 DCAERM CCOC(=O)c1cnc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000561346812 288541178 /nfs/dbraw/zinc/54/11/78/288541178.db2.gz SRVGJEPFWIXHHF-SECBINFHSA-N -1 0 318.337 0.861 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN(c2ncnc(-n3cccn3)c2N)C1 ZINC000565041427 288811012 /nfs/dbraw/zinc/81/10/12/288811012.db2.gz OHHBDQQYDXNOQY-AWEZNQCLSA-N -1 0 302.338 0.936 10 0 DCAERM CN1CCN(c2nc3cc(C(=O)[O-])ccc3c(=O)n2C)CC1 ZINC000040351707 290059068 /nfs/dbraw/zinc/05/90/68/290059068.db2.gz AHJOHAZRRAETDV-UHFFFAOYSA-N -1 0 302.334 0.384 10 0 DCAERM CN1C[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1=O ZINC000237052326 290265189 /nfs/dbraw/zinc/26/51/89/290265189.db2.gz JHDHVSFLOCRJDN-STQMWFEESA-N -1 0 302.330 0.503 10 0 DCAERM CN1N=C(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CCC1=O ZINC000261729971 290314945 /nfs/dbraw/zinc/31/49/45/290314945.db2.gz RCCXODONRLPAKD-WCQGTBRESA-N -1 0 307.350 0.839 10 0 DCAERM COC[C@H](C)S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000447828701 293061369 /nfs/dbraw/zinc/06/13/69/293061369.db2.gz GCGIZUYAUOROIO-CBAPKCEASA-N -1 0 315.317 0.978 10 0 DCAERM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000092921360 300664567 /nfs/dbraw/zinc/66/45/67/300664567.db2.gz POZXGAMWKPZAHP-VLEAKVRGSA-N -1 0 306.384 0.135 10 0 DCAERM Cc1nc(S(=O)(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000583500237 335623953 /nfs/dbraw/zinc/62/39/53/335623953.db2.gz QVHXLHNNDALBTQ-PSASIEDQSA-N -1 0 301.368 0.460 10 0 DCAERM O=C([O-])[C@]1(CO)CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000584605850 337371569 /nfs/dbraw/zinc/37/15/69/337371569.db2.gz BNXNVYDGQGRFQY-GFCCVEGCSA-N -1 0 303.311 0.426 10 0 DCAERM COC[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)C(=O)[O-] ZINC000263404494 518080145 /nfs/dbraw/zinc/08/01/45/518080145.db2.gz FUIJXBPYSWHKMX-SECBINFHSA-N -1 0 324.358 0.341 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000157263429 522394976 /nfs/dbraw/zinc/39/49/76/522394976.db2.gz DNTRZTXUHGLUPP-UHFFFAOYSA-N -1 0 320.392 0.371 10 0 DCAERM C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)[C@H](C)CO ZINC000126764791 525141948 /nfs/dbraw/zinc/14/19/48/525141948.db2.gz YXPMBBMXHWFKQO-NXEZZACHSA-N -1 0 321.402 0.818 10 0 DCAERM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000036884580 545646464 /nfs/dbraw/zinc/64/64/64/545646464.db2.gz CQAZKVPFOKZAHG-LLVKDONJSA-N -1 0 318.395 0.124 10 0 DCAERM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131731911 545791923 /nfs/dbraw/zinc/79/19/23/545791923.db2.gz NCYJVGCSOVBOIJ-SECBINFHSA-N -1 0 300.355 0.287 10 0 DCAERM C[C@@]1(O)CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000163441946 545873515 /nfs/dbraw/zinc/87/35/15/545873515.db2.gz BJANCNNUHFSVNH-CYBMUJFWSA-N -1 0 300.355 0.424 10 0 DCAERM COc1nc(-n2cc(S(C)(=O)=O)cn2)c(C(=O)[O-])s1 ZINC000725250508 548749023 /nfs/dbraw/zinc/74/90/23/548749023.db2.gz HEUAPQQDUYBUDU-UHFFFAOYSA-N -1 0 303.321 0.439 10 0 DCAERM Cc1cccn2c(=O)c(C(=O)[N-]OC[C@H]3CCOC3)cnc12 ZINC000188329275 660900775 /nfs/dbraw/zinc/90/07/75/660900775.db2.gz MQVUOGOCXFJENC-NSHDSACASA-N -1 0 303.318 0.701 10 0 DCAERM Cc1cc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2C2CC2)nc(C)n1 ZINC000888101893 661180985 /nfs/dbraw/zinc/18/09/85/661180985.db2.gz QVTQDMKXSAPLNN-UONOGXRCSA-N -1 0 318.377 0.790 10 0 DCAERM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccco2)cc1 ZINC000180113623 665421727 /nfs/dbraw/zinc/42/17/27/665421727.db2.gz MBQVIDRHGYBSQJ-UHFFFAOYSA-N -1 0 308.315 0.758 10 0 DCAERM CC(C)(C)OC(=O)N[C@H](C[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000757175893 658636347 /nfs/dbraw/zinc/63/63/47/658636347.db2.gz NSHWEKLIZXPPRT-HTQZYQBOSA-N -1 0 308.356 0.046 10 0 DCAERM CN([N-]C(=O)c1n[nH]c2ccc(Br)cc21)C(N)=O ZINC000182656667 665863528 /nfs/dbraw/zinc/86/35/28/665863528.db2.gz XUIHHNIDHVGKHC-UHFFFAOYSA-N -1 0 312.127 0.981 10 0 DCAERM C[C@@H]1CC[C@H](C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)O1 ZINC000263001711 662613401 /nfs/dbraw/zinc/61/34/01/662613401.db2.gz VCIBARVGUBDWQJ-GRYCIOLGSA-N -1 0 312.366 0.336 10 0 DCAERM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263421858 662686969 /nfs/dbraw/zinc/68/69/69/662686969.db2.gz JAEXQKMROWUHNU-GFCCVEGCSA-N -1 0 306.384 0.124 10 0 DCAERM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000263465574 662694352 /nfs/dbraw/zinc/69/43/52/662694352.db2.gz QWZUSVNAJCELCQ-ZJUUUORDSA-N -1 0 303.322 0.566 10 0 DCAERM COC[C@@](C)(CCO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000182821130 665916085 /nfs/dbraw/zinc/91/60/85/665916085.db2.gz FOHYAWBXNCCWIM-OAHLLOKOSA-N -1 0 305.334 0.440 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000062873722 664624692 /nfs/dbraw/zinc/62/46/92/664624692.db2.gz QUCKEHKEJXEELH-CYBMUJFWSA-N -1 0 315.395 0.994 10 0 DCAERM CNC(=O)Cn1cnc([N-]S(=O)(=O)/C=C/c2ccccc2)n1 ZINC000174010180 664634822 /nfs/dbraw/zinc/63/48/22/664634822.db2.gz VSBPTISMTYKIPT-BQYQJAHWSA-N -1 0 321.362 0.437 10 0 DCAERM NC(=O)N[C@H](Cc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000152555338 664763604 /nfs/dbraw/zinc/76/36/04/664763604.db2.gz MHXJGNWFWVCSOO-CQSZACIVSA-N -1 0 314.345 0.909 10 0 DCAERM O=C(c1cc(O)cc(Br)c1)N1CCOC[C@H]1CO ZINC000700836993 666771361 /nfs/dbraw/zinc/77/13/61/666771361.db2.gz SGERCBQRIAVAIO-SNVBAGLBSA-N -1 0 316.151 0.988 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC000709076777 667443901 /nfs/dbraw/zinc/44/39/01/667443901.db2.gz QSDOKKUMCZVRPF-VIFPVBQESA-N -1 0 318.317 0.912 10 0 DCAERM CN(CCC(=O)[O-])S(=O)(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000717318391 667556681 /nfs/dbraw/zinc/55/66/81/667556681.db2.gz IZAJZIHXJNAWEZ-SNVBAGLBSA-N -1 0 308.400 0.433 10 0 DCAERM CC1(CNS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)COC1 ZINC000137566115 667753117 /nfs/dbraw/zinc/75/31/17/667753117.db2.gz VKHJHCXPRNRYET-UHFFFAOYSA-N -1 0 321.301 0.978 10 0 DCAERM O=C([O-])c1cccc2c1CCN(S(=O)(=O)c1c[nH]cn1)C2 ZINC000124045156 667891286 /nfs/dbraw/zinc/89/12/86/667891286.db2.gz UFKMMOUPXNIVET-UHFFFAOYSA-N -1 0 307.331 0.855 10 0 DCAERM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)C2)c1 ZINC000131047193 669652289 /nfs/dbraw/zinc/65/22/89/669652289.db2.gz KHMCKFOFIINPLF-QMMMGPOBSA-N -1 0 300.311 0.075 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC000716295754 670262605 /nfs/dbraw/zinc/26/26/05/670262605.db2.gz CAOOZSPFIUSEAX-DCAQKATOSA-N -1 0 306.384 0.042 10 0 DCAERM CCOCCCNC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1 ZINC000193523510 670293331 /nfs/dbraw/zinc/29/33/31/670293331.db2.gz DRTCWVXZZSOMDL-CYBMUJFWSA-N -1 0 300.318 0.819 10 0 DCAERM O=c1nc(CCNS(=O)(=O)c2cnc(Cl)c(F)c2)[n-]o1 ZINC000392287501 685262479 /nfs/dbraw/zinc/26/24/79/685262479.db2.gz CEVQYBLKEUYCBS-UHFFFAOYSA-N -1 0 322.705 0.071 10 0 DCAERM CC(C)(CCS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CC1 ZINC000717983692 685303722 /nfs/dbraw/zinc/30/37/22/685303722.db2.gz ORDMAVIFNNLXIB-GHMZBOCLSA-N -1 0 305.396 0.662 10 0 DCAERM CC(C)N(C)S(=O)(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC000719068628 685308845 /nfs/dbraw/zinc/30/88/45/685308845.db2.gz IXIUXVLWVVZQGA-SECBINFHSA-N -1 0 307.397 0.313 10 0 DCAERM Cn1cc(CNS(=O)(=O)c2ncc[n-]2)c(Br)n1 ZINC000720099907 685312819 /nfs/dbraw/zinc/31/28/19/685312819.db2.gz NEXZZTARSDPDDG-UHFFFAOYSA-N -1 0 320.172 0.384 10 0 DCAERM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@H]21 ZINC000721216197 685317870 /nfs/dbraw/zinc/31/78/70/685317870.db2.gz APKQOMPTSDFHJM-VPOLOUISSA-N -1 0 301.364 0.133 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)O1 ZINC000189835644 685153403 /nfs/dbraw/zinc/15/34/03/685153403.db2.gz FQVUVBQZERZWIR-APPZFPTMSA-N -1 0 323.321 0.521 10 0 DCAERM O=C([O-])/C=C\CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000383719628 685243734 /nfs/dbraw/zinc/24/37/34/685243734.db2.gz DFBJJPFGLWMHES-UPHRSURJSA-N -1 0 304.255 0.653 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC000262091944 1185161245 /nfs/dbraw/zinc/16/12/45/1185161245.db2.gz CQFRZWGZXKNICN-BXKDBHETSA-N -1 0 319.317 0.030 10 0 DCAERM COCc1nc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])cs1 ZINC000262188056 1185163992 /nfs/dbraw/zinc/16/39/92/1185163992.db2.gz TYHCIMKAHKGBJL-IONNQARKSA-N -1 0 300.336 0.604 10 0 DCAERM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](OC)C(=O)[O-])C1 ZINC000263080518 1185175913 /nfs/dbraw/zinc/17/59/13/1185175913.db2.gz LFUIGPWHJAXDRW-QJPTWQEYSA-N -1 0 314.382 0.487 10 0 DCAERM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263560543 1185179496 /nfs/dbraw/zinc/17/94/96/1185179496.db2.gz REGQUPWUVLNNME-OUAUKWLOSA-N -1 0 321.395 0.747 10 0 DCAERM C[C@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCS1 ZINC000689190082 954640911 /nfs/dbraw/zinc/64/09/11/954640911.db2.gz KJSBRNUTFCOOQP-UWVGGRQHSA-N -1 0 308.425 0.608 10 0 DCAERM CC[C@H](CNC(=O)NC[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000694083718 954772608 /nfs/dbraw/zinc/77/26/08/954772608.db2.gz XKFYXYUATIFYHC-ZJUUUORDSA-N -1 0 306.384 0.364 10 0 DCAERM CO[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000689183747 968890261 /nfs/dbraw/zinc/89/02/61/968890261.db2.gz IKSNTDKVJLQHPM-MNOVXSKESA-N -1 0 306.384 0.281 10 0 DCAERM C[C@@H]1C[C@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H](C)O1 ZINC000686346116 976106381 /nfs/dbraw/zinc/10/63/81/976106381.db2.gz AXFDMZXUMLLHBL-GJMOJQLCSA-N -1 0 303.340 0.200 10 0 DCAERM C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000688105613 976168953 /nfs/dbraw/zinc/16/89/53/976168953.db2.gz HLZBPOWXIAKWJN-WPRPVWTQSA-N -1 0 303.336 0.902 10 0 DCAERM CCOC(=O)CCS(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000690464362 976301624 /nfs/dbraw/zinc/30/16/24/976301624.db2.gz OGXBUXLODBSHCM-SNVBAGLBSA-N -1 0 307.368 0.360 10 0 DCAERM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCNC2=O)c1 ZINC000693918791 976658785 /nfs/dbraw/zinc/65/87/85/976658785.db2.gz JQSMUWFUQUJAAC-QMMMGPOBSA-N -1 0 318.738 0.205 10 0 DCAERM COCC1=CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694152286 976671368 /nfs/dbraw/zinc/67/13/68/976671368.db2.gz WGRKQTBPFIOVRK-UHFFFAOYSA-N -1 0 301.320 0.945 10 0 DCAERM C[C@H](CCNS(=O)(=O)c1cc(C(=O)[O-])co1)[S@@](C)=O ZINC000694213529 976683595 /nfs/dbraw/zinc/68/35/95/976683595.db2.gz XPPZVBFJUQQBPL-LWESTGQBSA-N -1 0 309.365 0.413 10 0 DCAERM Cn1ncc(Cl)c1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000694764846 976720793 /nfs/dbraw/zinc/72/07/93/976720793.db2.gz PTDIZRPCHDORBL-UHFFFAOYSA-N -1 0 305.743 0.311 10 0 DCAERM O=C([O-])c1coc(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000695336314 976792019 /nfs/dbraw/zinc/79/20/19/976792019.db2.gz POPJJFWRQZPBCI-SNVBAGLBSA-N -1 0 301.320 0.777 10 0 DCAERM CCC(CC)(CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000165033050 282119640 /nfs/dbraw/zinc/11/96/40/282119640.db2.gz FTKHTVNJSUWFTL-PHIMTYICSA-N -1 0 322.427 0.821 10 0 DCAERM CC/C=C/CC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000004214109 181085311 /nfs/dbraw/zinc/08/53/11/181085311.db2.gz QRLCJUNAKLMRGP-ZTWGYATJSA-N -1 0 312.391 0.974 10 0 in-vitro DCAERM O=C([O-])Cn1c(=O)n(Cc2cccnc2)c(=O)c2ccccc21 ZINC000073658546 191337563 /nfs/dbraw/zinc/33/75/63/191337563.db2.gz MBOCXHDANBEOJB-UHFFFAOYSA-N -1 0 311.297 0.691 10 0 DCAERM Cn1c2[nH]c(-c3ccc(C(=O)[O-])cc3)nc2c(=O)n(C)c1=O ZINC000005116614 181204752 /nfs/dbraw/zinc/20/47/52/181204752.db2.gz VOGIMZNURUXDIJ-UHFFFAOYSA-N -1 0 300.274 0.326 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1CNC(=O)C1 ZINC000195285382 237511025 /nfs/dbraw/zinc/51/10/25/237511025.db2.gz SLIMWLRJDPNVCJ-LBPRGKRZSA-N -1 0 322.386 0.506 10 0 DCAERM C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000155625243 291221166 /nfs/dbraw/zinc/22/11/66/291221166.db2.gz BKVYOTGLLOVBOX-ZJUUUORDSA-N -1 0 301.368 0.921 10 0 DCAERM NC(=O)C[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000159549608 291235253 /nfs/dbraw/zinc/23/52/53/291235253.db2.gz YEQMMYSJAXGFQH-SSDOTTSWSA-N -1 0 324.717 0.086 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cccc(F)c2)C1 ZINC000019232651 182110464 /nfs/dbraw/zinc/11/04/64/182110464.db2.gz SDKDNXGQZBWGIA-GXSJLCMTSA-N -1 0 303.311 0.688 10 0 DCAERM O=C([O-])Cc1csc(N2C(=O)C[C@H](N3CCCCC3)C2=O)n1 ZINC000019766981 182144655 /nfs/dbraw/zinc/14/46/55/182144655.db2.gz DKPOBTVDWOYOHO-JTQLQIEISA-N -1 0 323.374 0.888 10 0 DCAERM O=C([O-])CCN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020183697 182194980 /nfs/dbraw/zinc/19/49/80/182194980.db2.gz KSUAPBAYTCASSU-UHFFFAOYSA-N -1 0 304.393 0.529 10 0 DCAERM C[C@@H](O)[C@@H](NC(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000022174020 182312292 /nfs/dbraw/zinc/31/22/92/182312292.db2.gz CESCQAYASBMOOL-RDDDGLTNSA-N -1 0 316.151 0.942 10 0 DCAERM CSCC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000036870654 182850908 /nfs/dbraw/zinc/85/09/08/182850908.db2.gz MCFIUWUOUIQIOR-RKDXNWHRSA-N -1 0 309.409 0.134 10 0 DCAERM CCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])s1 ZINC000048481805 183661569 /nfs/dbraw/zinc/66/15/69/183661569.db2.gz OYIDVGTTXADRIO-APPZFPTMSA-N -1 0 305.377 0.519 10 0 DCAERM COC(=O)c1cc(C(=O)OC)cc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000058836201 184129308 /nfs/dbraw/zinc/12/93/08/184129308.db2.gz QYGMPVQAJZQLCL-JTQLQIEISA-N -1 0 321.285 0.697 10 0 DCAERM CCc1c(C(=O)NCC(=O)[O-])nnn1-c1cccc(OC)c1 ZINC000011760511 395686818 /nfs/dbraw/zinc/68/68/18/395686818.db2.gz CXWDSTLFMHHJMA-UHFFFAOYSA-N -1 0 304.306 0.653 10 0 DCAERM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000085325764 395700045 /nfs/dbraw/zinc/70/00/45/395700045.db2.gz SAJAFUCFDANJRS-CHWFTXMASA-N -1 0 306.384 0.183 10 0 DCAERM CN(C(=O)N1CC[C@@H](CC(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000089715329 395714158 /nfs/dbraw/zinc/71/41/58/395714158.db2.gz RJYPMAWQTZQSTN-UWVGGRQHSA-N -1 0 304.368 0.022 10 0 DCAERM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000044617756 395757084 /nfs/dbraw/zinc/75/70/84/395757084.db2.gz PWHXBXKSGOQCQV-SNVBAGLBSA-N -1 0 313.335 0.340 10 0 DCAERM C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000224410616 395858278 /nfs/dbraw/zinc/85/82/78/395858278.db2.gz CEJQKCHHOBZVKF-BBBLOLIVSA-N -1 0 308.425 0.811 10 0 DCAERM CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)[O-])n2)c1 ZINC000219943210 395847029 /nfs/dbraw/zinc/84/70/29/395847029.db2.gz LGGYMMZFCVIQPN-UHFFFAOYSA-N -1 0 308.319 0.796 10 0 DCAERM C[C@H]1CCCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000227635111 395869328 /nfs/dbraw/zinc/86/93/28/395869328.db2.gz KSHMBTHQQHBTDO-GXSJLCMTSA-N -1 0 316.383 0.112 10 0 DCAERM Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)sc1Cl ZINC000231806455 395885674 /nfs/dbraw/zinc/88/56/74/395885674.db2.gz MMEMUFISJCCVCB-IYSWYEEDSA-N -1 0 313.784 0.822 10 0 DCAERM COC(=O)c1ncsc1S(=O)(=O)[N-]CC[C@@H]1CCCO1 ZINC000134691814 395934180 /nfs/dbraw/zinc/93/41/80/395934180.db2.gz MUSWHQHWJUSRHS-QMMMGPOBSA-N -1 0 320.392 0.777 10 0 DCAERM C[C@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CCS1 ZINC000137126046 395950068 /nfs/dbraw/zinc/95/00/68/395950068.db2.gz ZGHPPAYZRRBTJV-LURJTMIESA-N -1 0 308.406 0.967 10 0 DCAERM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000061181420 395966963 /nfs/dbraw/zinc/96/69/63/395966963.db2.gz IICNQUFSKAHQFA-GARJFASQSA-N -1 0 308.400 0.526 10 0 DCAERM CCNC(=O)C[N-]S(=O)(=O)[C@@H]([C@H]1CCCO1)C(F)(F)F ZINC000170603695 396095439 /nfs/dbraw/zinc/09/54/39/396095439.db2.gz CBUOLBVFAKSKEX-APPZFPTMSA-N -1 0 318.317 0.152 10 0 DCAERM O=C(CN1CCCCCCC1=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262196602 396110001 /nfs/dbraw/zinc/11/00/01/396110001.db2.gz QLMQODBMLFYHIC-CQSZACIVSA-N -1 0 314.407 0.856 10 0 DCAERM Cn1c(=O)[nH]cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1=O ZINC000263221496 396206714 /nfs/dbraw/zinc/20/67/14/396206714.db2.gz YXPHBZLBLMCLBE-VIFPVBQESA-N -1 0 311.338 0.495 10 0 DCAERM CNC(=O)c1cccc(CCC(=O)NCCSCC(=O)[O-])c1 ZINC000262744032 396177742 /nfs/dbraw/zinc/17/77/42/396177742.db2.gz HKLKJMWYQDRBFE-UHFFFAOYSA-N -1 0 324.402 0.913 10 0 DCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000263098170 396201291 /nfs/dbraw/zinc/20/12/91/396201291.db2.gz TYZBFTMKMAEHCO-INIZCTEOSA-N -1 0 321.329 0.908 10 0 DCAERM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263155995 396203635 /nfs/dbraw/zinc/20/36/35/396203635.db2.gz HXHLJKYEJHBQFZ-MWLCHTKSSA-N -1 0 315.395 0.911 10 0 DCAERM O=C([O-])[C@@H](NC(=O)Cn1cnnn1)c1ccc(Cl)c(F)c1 ZINC000181901668 396243187 /nfs/dbraw/zinc/24/31/87/396243187.db2.gz DWVASHJROKKFRJ-JTQLQIEISA-N -1 0 313.676 0.408 10 0 DCAERM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000263517203 396219868 /nfs/dbraw/zinc/21/98/68/396219868.db2.gz PEFQLTZJHNFODD-HTQZYQBOSA-N -1 0 321.786 0.947 10 0 DCAERM CSCCN(CC(=O)[O-])S(=O)(=O)N1CCC[C@H](C)C1 ZINC000594670996 396496061 /nfs/dbraw/zinc/49/60/61/396496061.db2.gz QUPCEJJIEGHJTQ-JTQLQIEISA-N -1 0 310.441 0.713 10 0 DCAERM O=C([O-])CSCC(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000595252457 396571621 /nfs/dbraw/zinc/57/16/21/396571621.db2.gz ZBIDXPOIRMCRHF-SSDOTTSWSA-N -1 0 301.286 0.984 10 0 DCAERM CCCCN(C)S(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000313606687 396771411 /nfs/dbraw/zinc/77/14/11/396771411.db2.gz CDIZZPOSQUIXJX-GFCCVEGCSA-N -1 0 308.400 0.386 10 0 DCAERM O=C([O-])[C@H]1CCCN(S(=O)(=O)N[C@H]2CCCC23CC3)C1 ZINC000634653757 396894044 /nfs/dbraw/zinc/89/40/44/396894044.db2.gz INYDVEOVSHNQHU-QWRGUYRKSA-N -1 0 302.396 0.950 10 0 DCAERM COC(=O)COc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000573774233 397203557 /nfs/dbraw/zinc/20/35/57/397203557.db2.gz SGYVUTVNDCYZPJ-UHFFFAOYSA-N -1 0 317.305 0.171 10 0 DCAERM CN(Cc1ccccc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000380883496 397271600 /nfs/dbraw/zinc/27/16/00/397271600.db2.gz JEYAYOKPWIVITA-UHFFFAOYSA-N -1 0 303.322 0.704 10 0 DCAERM C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000384250442 397279784 /nfs/dbraw/zinc/27/97/84/397279784.db2.gz KYSLUHVJUHJOEQ-YUMQZZPRSA-N -1 0 321.786 0.947 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000384221391 397280062 /nfs/dbraw/zinc/28/00/62/397280062.db2.gz FEMQMFGVVLAGOC-NXEZZACHSA-N -1 0 304.368 0.022 10 0 DCAERM COCC(=O)N(C)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000263411090 292173792 /nfs/dbraw/zinc/17/37/92/292173792.db2.gz IXLHSLWMUCIQQH-TUAOUCFPSA-N -1 0 312.366 0.336 10 0 DCAERM COC[C@@H](NC(=O)CCc1cc(OC)ccc1OC)C(=O)[O-] ZINC000262950835 292821029 /nfs/dbraw/zinc/82/10/29/292821029.db2.gz LGTCVNZPKCATGV-GFCCVEGCSA-N -1 0 311.334 0.852 10 0 DCAERM O=C(Cc1coc(-c2ccc(F)cc2)n1)NN1CC(=O)NC1=O ZINC000113413635 158148008 /nfs/dbraw/zinc/14/80/08/158148008.db2.gz DRQCYGFHEXBKAT-UHFFFAOYSA-N -1 0 318.264 0.606 10 0 DCAERM CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000127716656 158276114 /nfs/dbraw/zinc/27/61/14/158276114.db2.gz BIHQMMUZFNIYQR-QMMMGPOBSA-N -1 0 318.317 0.801 10 0 DCAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000262086035 158771085 /nfs/dbraw/zinc/77/10/85/158771085.db2.gz BXUPNLMPYXUDDP-NWDGAFQWSA-N -1 0 321.329 0.701 10 0 DCAERM C[C@H](CNC(=O)CCn1nc2ccccn2c1=O)CC(=O)[O-] ZINC000262137408 158777548 /nfs/dbraw/zinc/77/75/48/158777548.db2.gz JLIBPCNEOIMSCR-JTQLQIEISA-N -1 0 306.322 0.113 10 0 DCAERM Cc1nc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)sc1C(=O)[O-] ZINC000262512804 158820583 /nfs/dbraw/zinc/82/05/83/158820583.db2.gz BWZDZXDYEZAXHG-HTQZYQBOSA-N -1 0 311.363 0.805 10 0 DCAERM O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262716700 158835701 /nfs/dbraw/zinc/83/57/01/158835701.db2.gz NVYUOGKBBLTDPE-VHSXEESVSA-N -1 0 303.380 0.713 10 0 DCAERM Cc1ccc(C(=O)NCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1C ZINC000262741062 158837815 /nfs/dbraw/zinc/83/78/15/158837815.db2.gz GTNJKBOQNLYIKO-ZDUSSCGKSA-N -1 0 320.345 0.345 10 0 DCAERM COCCC(=O)N1CCC(NC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000262877576 158846104 /nfs/dbraw/zinc/84/61/04/158846104.db2.gz XHIAYYOVQGAWRT-UHFFFAOYSA-N -1 0 324.333 0.735 10 0 DCAERM CO[C@H](CNC(=O)c1ccc(Cn2cccn2)cc1)C(=O)[O-] ZINC000262871385 158846538 /nfs/dbraw/zinc/84/65/38/158846538.db2.gz JFXVUMINPYBDDK-CYBMUJFWSA-N -1 0 303.318 0.761 10 0 DCAERM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)NC(CO)CO ZINC000262946171 158849328 /nfs/dbraw/zinc/84/93/28/158849328.db2.gz AHJJKZMRNZEQFL-GFCCVEGCSA-N -1 0 310.350 0.115 10 0 DCAERM CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000263225023 158863688 /nfs/dbraw/zinc/86/36/88/158863688.db2.gz RJCMJFGMSRSLMG-LPEHRKFASA-N -1 0 300.380 0.620 10 0 DCAERM COCCCS(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000368489991 159398040 /nfs/dbraw/zinc/39/80/40/159398040.db2.gz JBEJMGZHZMHKCL-MRVPVSSYSA-N -1 0 301.311 0.395 10 0 DCAERM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000408206898 160059858 /nfs/dbraw/zinc/05/98/58/160059858.db2.gz UXCJRGACLYQAQV-LBPRGKRZSA-N -1 0 304.412 0.343 10 0 DCAERM CC(C)[C@H]1CCO[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408446931 160110039 /nfs/dbraw/zinc/11/00/39/160110039.db2.gz SPVQSBBNIXWXPP-YNEHKIRRSA-N -1 0 319.423 0.920 10 0 DCAERM CC(C)[C@H]1CCO[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000408446727 160110060 /nfs/dbraw/zinc/11/00/60/160110060.db2.gz PIVJUXOCQMLYNO-GHMZBOCLSA-N -1 0 301.368 0.286 10 0 DCAERM C[C@@H](C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1)N1CCOCC1 ZINC000408469163 160114992 /nfs/dbraw/zinc/11/49/92/160114992.db2.gz OYZGZCPBTQKMGV-QWRGUYRKSA-N -1 0 310.354 0.202 10 0 DCAERM O=C([N-]S(=O)(=O)c1ncccc1F)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408476883 160117111 /nfs/dbraw/zinc/11/71/11/160117111.db2.gz CSNMKWHAOFLTSR-SFGNSQDASA-N -1 0 300.311 0.451 10 0 DCAERM CC[C@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000408478920 160117115 /nfs/dbraw/zinc/11/71/15/160117115.db2.gz FATZOKWHRHVLRS-NXEZZACHSA-N -1 0 301.368 0.430 10 0 DCAERM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000408481613 160117891 /nfs/dbraw/zinc/11/78/91/160117891.db2.gz GAOXBMONQUMDTQ-NXEZZACHSA-N -1 0 315.395 0.782 10 0 DCAERM O=C([N-]S(=O)(=O)c1ccc2n[nH]nc2c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408505175 160120287 /nfs/dbraw/zinc/12/02/87/160120287.db2.gz WKVBFTIAMJNKKN-AXTRIDKLSA-N -1 0 322.346 0.188 10 0 DCAERM O=C(CC[C@@H]1CCC(=O)N1)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000408504658 160120538 /nfs/dbraw/zinc/12/05/38/160120538.db2.gz XMWDJGUQYKDCLX-RHYQMDGZSA-N -1 0 314.407 0.680 10 0 DCAERM CC[C@@H](CS(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)OC ZINC000263175733 286854188 /nfs/dbraw/zinc/85/41/88/286854188.db2.gz SRAZAIMVYVWOQE-GMXVVIOVSA-N -1 0 305.396 0.928 10 0 DCAERM CC[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000045174467 415241382 /nfs/dbraw/zinc/24/13/82/415241382.db2.gz VEUZRYZBWBMHNS-LLVKDONJSA-N -1 0 314.363 0.753 10 0 DCAERM C[C@@H]1CN(C)c2ccccc2N(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000091061330 415531412 /nfs/dbraw/zinc/53/14/12/415531412.db2.gz KEJSLLRJLSTNCH-MNOVXSKESA-N -1 0 316.361 0.704 10 0 DCAERM O=C(NC1(c2nnn[n-]2)CC1)c1ccn(Cc2ccccc2)n1 ZINC000357064501 416028840 /nfs/dbraw/zinc/02/88/40/416028840.db2.gz CCDCCYNFSQKJME-UHFFFAOYSA-N -1 0 309.333 0.864 10 0 DCAERM CC(=O)Nc1ccc(C)c(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357075698 416031029 /nfs/dbraw/zinc/03/10/29/416031029.db2.gz PYHMLQXXOXTVCR-UHFFFAOYSA-N -1 0 300.322 0.886 10 0 DCAERM CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262249025 416336133 /nfs/dbraw/zinc/33/61/33/416336133.db2.gz PELKZRSFGDZXPJ-ZIBATOQPSA-N -1 0 311.382 0.927 10 0 DCAERM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)CC(=O)[O-] ZINC000263116823 416337408 /nfs/dbraw/zinc/33/74/08/416337408.db2.gz QMDWJMIIHSXUQB-LLVKDONJSA-N -1 0 306.384 0.124 10 0 DCAERM Cn1nc2ccccc2c1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000361480913 416439617 /nfs/dbraw/zinc/43/96/17/416439617.db2.gz HSKQREGAPBTXIJ-UHFFFAOYSA-N -1 0 320.334 0.347 10 0 DCAERM CC(=O)c1ccc([O-])c(NC(=O)[C@H](O)Cc2cnn(C)c2)c1 ZINC000436843193 416571517 /nfs/dbraw/zinc/57/15/17/416571517.db2.gz YUKFMDYRTCQKIX-CQSZACIVSA-N -1 0 303.318 0.870 10 0 DCAERM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424367350 416637987 /nfs/dbraw/zinc/63/79/87/416637987.db2.gz LOJNOTQLIGLVCV-WPRPVWTQSA-N -1 0 301.368 0.602 10 0 DCAERM C/C=C/C[C@@H](NS(=O)(=O)C1(COC)CC1)C(=O)OCC ZINC000451395755 417341798 /nfs/dbraw/zinc/34/17/98/417341798.db2.gz XBCPLUJHUMQQAA-DUMNWFOQSA-N -1 0 305.396 0.983 10 0 DCAERM C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000518058457 272479269 /nfs/dbraw/zinc/47/92/69/272479269.db2.gz JLTCJKNBCVTVMY-NQBHXWOUSA-N -1 0 318.395 0.139 10 0 DCAERM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262160147 278367915 /nfs/dbraw/zinc/36/79/15/278367915.db2.gz PSXPEEOWBZXUKA-GUBZILKMSA-N -1 0 314.407 0.913 10 0 DCAERM COCCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000547908367 288090997 /nfs/dbraw/zinc/09/09/97/288090997.db2.gz XYIWMBHOMNLFKZ-LLVKDONJSA-N -1 0 314.363 0.498 10 0 DCAERM CC(C)OCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000231932233 279675212 /nfs/dbraw/zinc/67/52/12/279675212.db2.gz SQGYUYWBFFHVGD-SDDRHHMPSA-N -1 0 305.396 0.926 10 0 DCAERM CC(C)S(=O)(=O)CC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262128378 279737506 /nfs/dbraw/zinc/73/75/06/279737506.db2.gz HESKIDILXAFJHG-SNVBAGLBSA-N -1 0 323.411 0.584 10 0 DCAERM CN1CCO[C@@H]2CN(C(=O)c3cc(F)c(F)c([O-])c3F)C[C@H]21 ZINC000408205685 290096351 /nfs/dbraw/zinc/09/63/51/290096351.db2.gz YLRIZWPPBOCGSX-NXEZZACHSA-N -1 0 316.279 0.965 10 0 DCAERM CN1C[C@@H](NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCC1=O ZINC000263277854 290273238 /nfs/dbraw/zinc/27/32/38/290273238.db2.gz SPADLMHZNJFMCR-ZIBATOQPSA-N -1 0 309.366 0.504 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC000261600583 294594880 /nfs/dbraw/zinc/59/48/80/294594880.db2.gz BNMUYXBVWZGGKI-QWRGUYRKSA-N -1 0 307.306 0.491 10 0 DCAERM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038025238 295521416 /nfs/dbraw/zinc/52/14/16/295521416.db2.gz GMNKHAAUKIWGIW-MNOVXSKESA-N -1 0 318.395 0.266 10 0 DCAERM CC[C@@]1(C(=O)[O-])CCCN1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000214374303 331661935 /nfs/dbraw/zinc/66/19/35/331661935.db2.gz YMXLYAGCSXGAKN-GWCFXTLKSA-N -1 0 318.395 0.555 10 0 DCAERM CSCC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-] ZINC000036862419 337360561 /nfs/dbraw/zinc/36/05/61/337360561.db2.gz VIXYHVSWZQBGLA-UWVGGRQHSA-N -1 0 310.441 0.759 10 0 DCAERM CN1C[C@H](C(=O)NCCc2nc(=O)o[n-]2)Cc2ccccc21 ZINC000366059055 524020054 /nfs/dbraw/zinc/02/00/54/524020054.db2.gz JLVNUEOAXSGBMQ-LLVKDONJSA-N -1 0 302.334 0.330 10 0 DCAERM C[C@H](CCC(=O)[O-])NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000237403307 524120086 /nfs/dbraw/zinc/12/00/86/524120086.db2.gz CYTVWHYZVIXEFT-MNOVXSKESA-N -1 0 308.334 0.998 10 0 DCAERM Cc1ccc(CCC(=O)NCC(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC000263014410 524293367 /nfs/dbraw/zinc/29/33/67/524293367.db2.gz SMEZQPHGQBABFS-GFCCVEGCSA-N -1 0 310.325 0.583 10 0 DCAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000237515808 524442972 /nfs/dbraw/zinc/44/29/72/524442972.db2.gz CYTVWHYZVIXEFT-QWRGUYRKSA-N -1 0 308.334 0.998 10 0 DCAERM COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H]2C)cc1C(=O)[O-] ZINC000149336325 545810920 /nfs/dbraw/zinc/81/09/20/545810920.db2.gz FYADLQUNDSCVNE-GZMMTYOYSA-N -1 0 315.347 0.849 10 0 DCAERM O=C(NC[C@H](O)CN1CCOCC1)c1c([O-])cc(F)cc1F ZINC000156191227 545846497 /nfs/dbraw/zinc/84/64/97/545846497.db2.gz ROWIXSPGVKKVLA-JTQLQIEISA-N -1 0 316.304 0.093 10 0 DCAERM Cn1nc2c(cc1=O)CN(C(=O)c1c([O-])cc(F)cc1F)CC2 ZINC000177829406 545893108 /nfs/dbraw/zinc/89/31/08/545893108.db2.gz BAYCYHYBJGZBJF-UHFFFAOYSA-N -1 0 321.283 0.963 10 0 DCAERM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251186964 545973817 /nfs/dbraw/zinc/97/38/17/545973817.db2.gz DTWKEOZQBQPNML-NQBHXWOUSA-N -1 0 320.411 0.670 10 0 DCAERM CC1(C)CO[C@H](CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000717328263 667625841 /nfs/dbraw/zinc/62/58/41/667625841.db2.gz RGXBNHOEIMUDSZ-UWVGGRQHSA-N -1 0 306.384 0.185 10 0 DCAERM Cc1ncc(S(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)[O-])s1 ZINC000721680915 659243641 /nfs/dbraw/zinc/24/36/41/659243641.db2.gz UDFUWDMPZCQDHJ-WEDXCCLWSA-N -1 0 302.377 0.793 10 0 DCAERM C[C@@H]1CN2CCCC[C@@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC000261754349 661619902 /nfs/dbraw/zinc/61/99/02/661619902.db2.gz NEPXLFIXMRYILJ-VXGBXAGGSA-N -1 0 304.412 0.044 10 0 DCAERM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000262117779 662084096 /nfs/dbraw/zinc/08/40/96/662084096.db2.gz KKODUFIBPJDRIK-CQSZACIVSA-N -1 0 301.306 0.742 10 0 DCAERM C[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)CC(=O)[O-] ZINC000262151886 662118360 /nfs/dbraw/zinc/11/83/60/662118360.db2.gz LRJKFSROLAXFNQ-SECBINFHSA-N -1 0 319.317 0.329 10 0 DCAERM C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000149301499 663665041 /nfs/dbraw/zinc/66/50/41/663665041.db2.gz AEXLXYUMSHVWED-OIBJUYFYSA-N -1 0 303.311 0.980 10 0 DCAERM COc1cccc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000227200158 664529219 /nfs/dbraw/zinc/52/92/19/664529219.db2.gz FVKIRUQFLVAQDI-JQWIXIFHSA-N -1 0 315.347 0.558 10 0 DCAERM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000228393202 664557530 /nfs/dbraw/zinc/55/75/30/664557530.db2.gz ZGSBVENSTJVRRP-HTQZYQBOSA-N -1 0 310.272 0.672 10 0 DCAERM Cc1ncsc1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000174127922 664636550 /nfs/dbraw/zinc/63/65/50/664636550.db2.gz MYAXPGOGBKBDQX-UHFFFAOYSA-N -1 0 320.783 0.957 10 0 DCAERM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC(=O)Nc2ccccc21 ZINC000731842681 664885790 /nfs/dbraw/zinc/88/57/90/664885790.db2.gz NRYNZSLCSLOJAJ-UHFFFAOYSA-N -1 0 324.300 0.057 10 0 DCAERM O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733722655 666808407 /nfs/dbraw/zinc/80/84/07/666808407.db2.gz HBNRUXPKKUUDDO-LLVKDONJSA-N -1 0 309.347 0.271 10 0 DCAERM Cn1cc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)nn1 ZINC000701984972 666898118 /nfs/dbraw/zinc/89/81/18/666898118.db2.gz CTGFCJWXRZPWRP-UHFFFAOYSA-N -1 0 312.742 0.917 10 0 DCAERM CS(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC000711467902 667472768 /nfs/dbraw/zinc/47/27/68/667472768.db2.gz HGYWCIROUYQJBF-UHFFFAOYSA-N -1 0 304.393 0.524 10 0 DCAERM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)o1 ZINC000711541494 667488020 /nfs/dbraw/zinc/48/80/20/667488020.db2.gz JWGQERXKYKYBOQ-OCAPTIKFSA-N -1 0 303.361 0.961 10 0 DCAERM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000131818463 669686323 /nfs/dbraw/zinc/68/63/23/669686323.db2.gz ACVUDCZOYLINFI-VHSXEESVSA-N -1 0 314.345 0.697 10 0 DCAERM COC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000132036962 669701170 /nfs/dbraw/zinc/70/11/70/669701170.db2.gz OLOIQZKTLQBABW-LURJTMIESA-N -1 0 309.290 0.976 10 0 DCAERM CO[C@H](C(=O)[O-])C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000713290410 670154719 /nfs/dbraw/zinc/15/47/19/670154719.db2.gz PJXKLAMZNZMBDU-ZDUSSCGKSA-N -1 0 303.318 0.647 10 0 DCAERM O=C(NCCc1nc(=O)o[n-]1)c1cccc(Br)n1 ZINC000392291909 685263910 /nfs/dbraw/zinc/26/39/10/685263910.db2.gz RYOFDCLAVAWCHU-UHFFFAOYSA-N -1 0 313.111 0.493 10 0 DCAERM C[C@@H](C(=O)[O-])N(C)C(=O)NCc1nn(C)cc1Br ZINC000393461713 685264836 /nfs/dbraw/zinc/26/48/36/685264836.db2.gz XBWMZIDWOIFNQY-LURJTMIESA-N -1 0 319.159 0.797 10 0 DCAERM O=C([O-])Cc1csc(CNS(=O)(=O)N2CCCCC2)n1 ZINC000719104388 685308689 /nfs/dbraw/zinc/30/86/89/685308689.db2.gz YWJSCYNKEMUCRA-UHFFFAOYSA-N -1 0 319.408 0.591 10 0 DCAERM CC(C)S(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000380756103 685237589 /nfs/dbraw/zinc/23/75/89/685237589.db2.gz CEBYQBVCRWSVGL-UHFFFAOYSA-N -1 0 306.384 0.364 10 0 DCAERM Cn1cc(Br)cc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386557560 685249871 /nfs/dbraw/zinc/24/98/71/685249871.db2.gz NJSHXTJLPAPCMQ-LLVKDONJSA-N -1 0 317.139 0.449 10 0 DCAERM C[C@@H](CCC(=O)[O-])Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000235089793 1180565163 /nfs/dbraw/zinc/56/51/63/1180565163.db2.gz ZZUJRNBVRLSKLW-VIFPVBQESA-N -1 0 301.368 0.997 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000237125532 1180812665 /nfs/dbraw/zinc/81/26/65/1180812665.db2.gz MIRNOBISEBTMPJ-RNCFNFMXSA-N -1 0 303.318 0.806 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCNC(=O)c2ccco2)C1 ZINC000261641685 1184605221 /nfs/dbraw/zinc/60/52/21/1184605221.db2.gz ITRFXQSBSKZBMM-NXEZZACHSA-N -1 0 310.306 0.100 10 0 DCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3c2OCCO3)C1 ZINC000261709376 1184906746 /nfs/dbraw/zinc/90/67/46/1184906746.db2.gz OZESTKMFDRMAQQ-ONGXEEELSA-N -1 0 307.302 0.772 10 0 DCAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)c2ccccc2)C1 ZINC000261719570 1184937820 /nfs/dbraw/zinc/93/78/20/1184937820.db2.gz PXKULCSTZIHMCY-NEPJUHHUSA-N -1 0 306.318 0.117 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000262168572 1185163889 /nfs/dbraw/zinc/16/38/89/1185163889.db2.gz QENKYQYIEOLUFH-CHWSQXEVSA-N -1 0 316.317 0.581 10 0 DCAERM CCCNC(=O)CCCC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000262188174 1185164362 /nfs/dbraw/zinc/16/43/62/1185164362.db2.gz TZVLTLSZLHVMDD-WDEREUQCSA-N -1 0 300.355 0.383 10 0 DCAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000262413689 1185166397 /nfs/dbraw/zinc/16/63/97/1185166397.db2.gz DIGHPBTYUGVANX-CYZMBNFOSA-N -1 0 324.377 0.478 10 0 DCAERM CO[C@H](CNC(=O)C[C@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC000263159085 1185176613 /nfs/dbraw/zinc/17/66/13/1185176613.db2.gz YLKNYCDWBZTOSY-GXSJLCMTSA-N -1 0 300.355 0.287 10 0 DCAERM CC(C)c1nc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cn1C ZINC000263240120 1185176916 /nfs/dbraw/zinc/17/69/16/1185176916.db2.gz TXVHLCANBOULOV-JTQLQIEISA-N -1 0 303.384 0.931 10 0 DCAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)COc1ccc(C(N)=O)cc1 ZINC000263315872 1185178237 /nfs/dbraw/zinc/17/82/37/1185178237.db2.gz IQYIBYLMWPQAFC-ZWNOBZJWSA-N -1 0 320.345 0.876 10 0 DCAERM