smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1[O-] ZINC001023240719 736611368 /nfs/dbraw/zinc/61/13/68/736611368.db2.gz SGICRRAKEBZEKB-LLVKDONJSA-N -2 3 331.376 0.858 20 0 ECADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025395566 739376893 /nfs/dbraw/zinc/37/68/93/739376893.db2.gz ANUGYLMPDAQJHE-QWRGUYRKSA-N -2 3 346.391 0.641 20 0 ECADHL O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1ncccc1[O-] ZINC000974056751 740864620 /nfs/dbraw/zinc/86/46/20/740864620.db2.gz KWTZLKLZVUYPEZ-AOOOYVTPSA-N -2 3 328.328 0.579 20 0 ECADHL O=C(c1ccccc1[O-])N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087890144 746574932 /nfs/dbraw/zinc/57/49/32/746574932.db2.gz WTOIEMPEVBIRRT-NEPJUHHUSA-N -2 3 343.387 0.810 20 0 ECADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000037982269 202076089 /nfs/dbraw/zinc/07/60/89/202076089.db2.gz LJFFTSLZYDADCZ-SSDOTTSWSA-N -2 3 339.416 0.159 20 0 ECADHL C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000298860447 202368874 /nfs/dbraw/zinc/36/88/74/202368874.db2.gz QDGUCHUNLACDEQ-SNVBAGLBSA-N -2 3 346.380 0.523 20 0 ECADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000092182024 203078480 /nfs/dbraw/zinc/07/84/80/203078480.db2.gz CBNPPWAWFIMADV-SFYZADRCSA-N -2 3 331.371 0.842 20 0 ECADHL C[C@@]1(c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000262676568 245116547 /nfs/dbraw/zinc/11/65/47/245116547.db2.gz RDGAHDCMSVCMJH-SJCJKPOMSA-N -2 3 345.355 0.821 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)o1 ZINC000262699177 245129231 /nfs/dbraw/zinc/12/92/31/245129231.db2.gz YJATXPUVZLJFRU-JTQLQIEISA-N -2 3 332.378 0.725 20 0 ECADHL O=C([O-])C[C@H]1CCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000263004578 245294938 /nfs/dbraw/zinc/29/49/38/245294938.db2.gz RNGOFFXARRDCMW-LLVKDONJSA-N -2 3 345.355 0.546 20 0 ECADHL C[C@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)CC(=O)[O-] ZINC000262970676 245276281 /nfs/dbraw/zinc/27/62/81/245276281.db2.gz PQNJJUHVRFUYIV-XXFAHNHDSA-N -2 3 333.344 0.582 20 0 ECADHL CCC[C@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-] ZINC000263187608 245357717 /nfs/dbraw/zinc/35/77/17/245357717.db2.gz MFBJLOYNJQWUNM-PIGZYNQJSA-N -2 3 347.371 0.972 20 0 ECADHL O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCCc2cccc([O-])c21 ZINC000182946229 296284099 /nfs/dbraw/zinc/28/40/99/296284099.db2.gz PLZTWDVERMRACK-UHFFFAOYSA-N -2 3 338.323 0.910 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(C(=O)[O-])co2)s1 ZINC000432125923 210467953 /nfs/dbraw/zinc/46/79/53/210467953.db2.gz IQAPZPCYHQPGST-UHFFFAOYSA-N -2 3 344.370 0.877 20 0 ECADHL Cc1nn2c([n-]nc2SCC(=O)Nc2ccccc2[O-])nc1=O ZINC000358928759 299774686 /nfs/dbraw/zinc/77/46/86/299774686.db2.gz XROIJWVDVWWQSH-UHFFFAOYSA-N -2 3 332.345 0.557 20 0 ECADHL COC(=O)Cc1n[n-]c([N-]S(=O)(=O)c2ccc(F)cc2C)n1 ZINC000358951471 299778043 /nfs/dbraw/zinc/77/80/43/299778043.db2.gz WDAALHQCOXAJAR-UHFFFAOYSA-N -2 3 328.325 0.769 20 0 ECADHL COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000262079388 165288088 /nfs/dbraw/zinc/28/80/88/165288088.db2.gz JYRSSLSAGVULOD-UHFFFAOYSA-N -2 3 344.389 0.588 20 0 ECADHL O=C([O-])[C@H](CC1CC1)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000262137405 165297851 /nfs/dbraw/zinc/29/78/51/165297851.db2.gz JLERUROHCBNAPT-ZDUSSCGKSA-N -2 3 345.355 0.449 20 0 ECADHL C[C@@]1(c2cccc(C(=O)N[C@@H](CC3CC3)C(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000262856330 165394800 /nfs/dbraw/zinc/39/48/00/165394800.db2.gz CORLSQJRXZGXKR-SJCJKPOMSA-N -2 3 345.355 0.724 20 0 ECADHL COCCOCCS(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-] ZINC000269946875 263214108 /nfs/dbraw/zinc/21/41/08/263214108.db2.gz HUGTYRFQQRTAMO-UHFFFAOYSA-N -2 3 333.362 0.798 20 0 ECADHL Cn1cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cn1 ZINC000284967076 264263794 /nfs/dbraw/zinc/26/37/94/264263794.db2.gz FCVCPBBYVJGSEA-SSDOTTSWSA-N -2 3 329.300 0.742 20 0 ECADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000285121846 264280666 /nfs/dbraw/zinc/28/06/66/264280666.db2.gz NFVQHKHYCGEHBK-CPCISQLKSA-N -2 3 349.336 0.115 20 0 ECADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000285121848 264280834 /nfs/dbraw/zinc/28/08/34/264280834.db2.gz NFVQHKHYCGEHBK-HQJQHLMTSA-N -2 3 349.336 0.115 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ncccc2[O-])s1 ZINC000338005895 297233516 /nfs/dbraw/zinc/23/35/16/297233516.db2.gz BQJDYQPANHIFBL-UHFFFAOYSA-N -2 3 327.387 0.687 20 0 ECADHL O=C(NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1)c1ncccc1[O-] ZINC000338103135 297241419 /nfs/dbraw/zinc/24/14/19/297241419.db2.gz VXJLNKUCIDMECE-LLVKDONJSA-N -2 3 342.355 0.826 20 0 ECADHL COC(CNC(=O)c1ncccc1[O-])CNC(=O)c1ncccc1[O-] ZINC000345985276 298207362 /nfs/dbraw/zinc/20/73/62/298207362.db2.gz BXSXMSSREWCIPK-UHFFFAOYSA-N -2 3 346.343 0.063 20 0 ECADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1F ZINC000070417633 435986011 /nfs/dbraw/zinc/98/60/11/435986011.db2.gz YLKYHUDCWLAPCH-UHFFFAOYSA-N -2 3 334.354 0.721 20 0 ECADHL Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000073074578 436067472 /nfs/dbraw/zinc/06/74/72/436067472.db2.gz QZDNCOWCHCFBSZ-VIFPVBQESA-N -2 3 329.360 0.299 20 0 ECADHL Cc1cc(C(=O)NCCN2CCC[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000076310037 301132510 /nfs/dbraw/zinc/13/25/10/301132510.db2.gz AYFJLNMFKIEVNW-SNVBAGLBSA-N -2 3 345.403 0.794 20 0 ECADHL NC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000037418165 436260680 /nfs/dbraw/zinc/26/06/80/436260680.db2.gz WWEVSKUVDLWYSV-QMMMGPOBSA-N -2 3 338.744 0.476 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N(CC(=O)[O-])C2CC2)s1 ZINC000514961577 301625388 /nfs/dbraw/zinc/62/53/88/301625388.db2.gz PZWWVQIDUHJOHT-UHFFFAOYSA-N -2 3 347.418 0.415 20 0 ECADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)cn1 ZINC000530472959 302011248 /nfs/dbraw/zinc/01/12/48/302011248.db2.gz LYTOXYKJCPTPJX-NSHDSACASA-N -2 3 348.402 0.017 20 0 ECADHL CCn1cnc(S(=O)(=O)[N-]CCc2nc(CC(=O)[O-])cs2)c1 ZINC000547552776 302261329 /nfs/dbraw/zinc/26/13/29/302261329.db2.gz KWQVKDOCAMEGPE-UHFFFAOYSA-N -2 3 344.418 0.508 20 0 ECADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)[O-] ZINC000547587702 302263371 /nfs/dbraw/zinc/26/33/71/302263371.db2.gz HUZBDGBXLLHKHO-WCQYABFASA-N -2 3 342.373 0.861 20 0 ECADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000548202636 302289552 /nfs/dbraw/zinc/28/95/52/302289552.db2.gz KOOWUYYHMMTBFO-NSHDSACASA-N -2 3 327.366 0.302 20 0 ECADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000548223237 302290949 /nfs/dbraw/zinc/29/09/49/302290949.db2.gz MKBZQKZMKBLZNG-RXMQYKEDSA-N -3 3 341.263 0.558 20 0 ECADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000548224453 302290982 /nfs/dbraw/zinc/29/09/82/302290982.db2.gz FCEBNMQPNQFZGB-PELKAZGASA-N -2 3 348.402 0.851 20 0 ECADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2cnc(C)s2)C(=O)[O-])c1 ZINC000548534204 302307426 /nfs/dbraw/zinc/30/74/26/302307426.db2.gz KOOIVUXTPWGQAJ-SECBINFHSA-N -2 3 330.391 0.388 20 0 ECADHL Cn1cc(C[C@H](C[N-]S(=O)(=O)c2cccs2)C(=O)[O-])cn1 ZINC000548541947 302308425 /nfs/dbraw/zinc/30/84/25/302308425.db2.gz FYXBWZYSSGGYFM-SNVBAGLBSA-N -2 3 329.403 0.703 20 0 ECADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000147362289 436682270 /nfs/dbraw/zinc/68/22/70/436682270.db2.gz RZCZUMRIQTVNCP-ZETCQYMHSA-N -3 3 332.290 0.191 20 0 ECADHL CCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000273688363 436777431 /nfs/dbraw/zinc/77/74/31/436777431.db2.gz AXLJAORGZLEHMR-UHFFFAOYSA-N -2 3 336.316 0.468 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1F ZINC000274172020 436802899 /nfs/dbraw/zinc/80/28/99/436802899.db2.gz MVZUNEQLPFRBOL-LLVKDONJSA-N -2 3 344.364 0.813 20 0 ECADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000275053596 436915543 /nfs/dbraw/zinc/91/55/43/436915543.db2.gz IQTNCOIXCYMSRI-QMMMGPOBSA-N -3 3 341.263 0.700 20 0 ECADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000275057460 436915600 /nfs/dbraw/zinc/91/56/00/436915600.db2.gz YFZOTTIMHINYQW-GFCCVEGCSA-N -2 3 347.824 0.952 20 0 ECADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000275052068 436915638 /nfs/dbraw/zinc/91/56/38/436915638.db2.gz SNHWPSBHMQDCER-LLVKDONJSA-N -2 3 331.394 0.640 20 0 ECADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000275058845 436916761 /nfs/dbraw/zinc/91/67/61/436916761.db2.gz UKNJTDFMEDMEFW-VIFPVBQESA-N -2 3 349.386 0.635 20 0 ECADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000275082407 436920127 /nfs/dbraw/zinc/92/01/27/436920127.db2.gz YXZFHWXRCMDMCG-VXNVDRBHSA-N -2 3 331.371 0.842 20 0 ECADHL CCCN(CC(=O)[O-])C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000262355955 436926488 /nfs/dbraw/zinc/92/64/88/436926488.db2.gz HIXRPYDNXKIPJY-UHFFFAOYSA-N -2 3 333.344 0.403 20 0 ECADHL CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000274894371 436888323 /nfs/dbraw/zinc/88/83/23/436888323.db2.gz GQPMOCQXPJPQGI-LURJTMIESA-N -2 3 337.375 0.685 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000261854457 436891576 /nfs/dbraw/zinc/89/15/76/436891576.db2.gz QMWZPXULDUUBKJ-ZJUUUORDSA-N -2 3 346.430 0.738 20 0 ECADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274919467 436894107 /nfs/dbraw/zinc/89/41/07/436894107.db2.gz MMUZYNGYDUSGCE-VIFPVBQESA-N -3 3 349.748 0.749 20 0 ECADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N(C)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000274999001 436907756 /nfs/dbraw/zinc/90/77/56/436907756.db2.gz FYFIDSKJAPFXBI-WPRPVWTQSA-N -2 3 347.393 0.706 20 0 ECADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000274999001 436907761 /nfs/dbraw/zinc/90/77/61/436907761.db2.gz FYFIDSKJAPFXBI-WPRPVWTQSA-N -2 3 347.393 0.706 20 0 ECADHL CCn1nc(C)c(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c1C ZINC000275384561 436961628 /nfs/dbraw/zinc/96/16/28/436961628.db2.gz ZXMMSDDMONJBQJ-MRVPVSSYSA-N -2 3 325.337 0.907 20 0 ECADHL CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(=O)[O-] ZINC000263383968 436963779 /nfs/dbraw/zinc/96/37/79/436963779.db2.gz CGDSCTABBITMBI-JTQLQIEISA-N -2 3 329.378 0.363 20 0 ECADHL C[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@H](C)C(=O)[O-] ZINC000263467935 436967297 /nfs/dbraw/zinc/96/72/97/436967297.db2.gz RGFNSWWOJHDMFZ-VHSXEESVSA-N -2 3 333.344 0.305 20 0 ECADHL COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000263553552 436969671 /nfs/dbraw/zinc/96/96/71/436969671.db2.gz MQPVGUOODXOWCO-VIFPVBQESA-N -2 3 330.362 0.646 20 0 ECADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000262472554 436937380 /nfs/dbraw/zinc/93/73/80/436937380.db2.gz PENGELTYGTVNIM-SECBINFHSA-N -2 3 336.391 0.017 20 0 ECADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000298235372 437032830 /nfs/dbraw/zinc/03/28/30/437032830.db2.gz FWAYSMRJKKJISA-UHFFFAOYSA-N -2 3 325.350 0.436 20 0 ECADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 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ZINC000736606718 578441221 /nfs/dbraw/zinc/44/12/21/578441221.db2.gz JINJQLHHYZZDEX-SNVBAGLBSA-N -2 3 347.462 0.361 20 0 ECADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000736666551 578444897 /nfs/dbraw/zinc/44/48/97/578444897.db2.gz LHPHQCDNQXSLAR-KWQFWETISA-N -2 3 339.377 0.644 20 0 ECADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000736666551 578444898 /nfs/dbraw/zinc/44/48/98/578444898.db2.gz LHPHQCDNQXSLAR-KWQFWETISA-N -2 3 339.377 0.644 20 0 ECADHL COC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736957959 578467746 /nfs/dbraw/zinc/46/77/46/578467746.db2.gz YXGJLUOXFVNLHR-UHFFFAOYSA-N -2 3 339.377 0.238 20 0 ECADHL COC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736957959 578467747 /nfs/dbraw/zinc/46/77/47/578467747.db2.gz YXGJLUOXFVNLHR-UHFFFAOYSA-N -2 3 339.377 0.238 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-])c(C)o1 ZINC000787933693 578822362 /nfs/dbraw/zinc/82/23/62/578822362.db2.gz 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CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000776571715 579284335 /nfs/dbraw/zinc/28/43/35/579284335.db2.gz ONIYKCDECVGPKN-VIFPVBQESA-N -2 3 347.393 0.672 20 0 ECADHL COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c([O-])c1 ZINC000737921563 579585034 /nfs/dbraw/zinc/58/50/34/579585034.db2.gz VKMFVDKEOMQFRT-UHFFFAOYSA-N -2 3 338.360 0.260 20 0 ECADHL CN(CC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000737989423 579591358 /nfs/dbraw/zinc/59/13/58/579591358.db2.gz XLJVFTREAWBPIR-UHFFFAOYSA-N -2 3 330.337 0.423 20 0 ECADHL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738000528 579592703 /nfs/dbraw/zinc/59/27/03/579592703.db2.gz GTYQFNZQJAJOSQ-GFCCVEGCSA-N -2 3 348.330 0.294 20 0 ECADHL O=S(=O)([N-]N=c1nccc[nH]1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738346321 579622592 /nfs/dbraw/zinc/62/25/92/579622592.db2.gz ZRLKJAPZOWFQFN-UHFFFAOYSA-N -2 3 336.312 0.101 20 0 ECADHL O=S(=O)([N-]N=c1nccc[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738346321 579622594 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CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000740000837 579726758 /nfs/dbraw/zinc/72/67/58/579726758.db2.gz LNUFNJJBCVUUPO-JTQLQIEISA-N -2 3 341.389 0.788 20 0 ECADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C1CC1 ZINC000740247130 579734148 /nfs/dbraw/zinc/73/41/48/579734148.db2.gz VLPGQZPIIDITKF-QMMMGPOBSA-N -2 3 336.801 0.706 20 0 ECADHL O=C([O-])N[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000740586528 579754089 /nfs/dbraw/zinc/75/40/89/579754089.db2.gz NMJVIXNARUPSKE-SECBINFHSA-N -2 3 347.418 0.285 20 0 ECADHL Cc1cc(C)nc(-n2[n-]c(C(=O)Nc3ncccc3[O-])cc2=O)n1 ZINC000741741213 579776828 /nfs/dbraw/zinc/77/68/28/579776828.db2.gz QAMNCOBTXLCUKG-UHFFFAOYSA-N -2 3 326.316 0.925 20 0 ECADHL O=C(C[N-]S(=O)(=O)c1cccs1)[N-]OCc1cccnc1 ZINC000747579122 579853323 /nfs/dbraw/zinc/85/33/23/579853323.db2.gz QUCADCLKHPYYNK-UHFFFAOYSA-N -2 3 327.387 0.669 20 0 ECADHL O=C([O-])N[C@@H](CC(F)F)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000834128302 588883185 /nfs/dbraw/zinc/88/31/85/588883185.db2.gz FSPOCKQJPYEKMQ-JTQLQIEISA-N -2 3 345.302 0.530 20 0 ECADHL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000834173895 588886668 /nfs/dbraw/zinc/88/66/68/588886668.db2.gz TZLIMKVFWHVLFT-STQMWFEESA-N -2 3 335.360 0.675 20 0 ECADHL O=C([O-])N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C2(CCCCC2)C1 ZINC000834287902 588893514 /nfs/dbraw/zinc/89/35/14/588893514.db2.gz BADWLJNPHJXDFJ-JTQLQIEISA-N -2 3 338.364 0.110 20 0 ECADHL O=C([O-])N1CCC[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)C1 ZINC000834286325 588893732 /nfs/dbraw/zinc/89/37/32/588893732.db2.gz WWCUUFDDEILTSM-QMMMGPOBSA-N -2 3 326.271 0.988 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)ccc1F ZINC000841772531 589000295 /nfs/dbraw/zinc/00/02/95/589000295.db2.gz HTYADESAXGPGFV-MRVPVSSYSA-N -2 3 344.364 0.812 20 0 ECADHL CC1(C)CCN(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000903550464 586787875 /nfs/dbraw/zinc/78/78/75/586787875.db2.gz RCPAGFYGSDGXNS-UHFFFAOYSA-N -2 3 333.435 0.852 20 0 ECADHL O=C(COCC1CCCC1)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838912130 586828429 /nfs/dbraw/zinc/82/84/29/586828429.db2.gz CNHPLALELJHKHY-UHFFFAOYSA-N -2 3 338.389 0.970 20 0 ECADHL CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838912204 586828469 /nfs/dbraw/zinc/82/84/69/586828469.db2.gz GNRRXXMOJQVUOG-UFBFGSQYSA-N -2 3 326.378 0.824 20 0 ECADHL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CCO1 ZINC000838915271 586829251 /nfs/dbraw/zinc/82/92/51/586829251.db2.gz VHMZVCCRVUBECS-UWVGGRQHSA-N -2 3 338.389 0.968 20 0 ECADHL CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1Cl)C(=O)[O-] ZINC000905999770 586927811 /nfs/dbraw/zinc/92/78/11/586927811.db2.gz ZDOSTDZNBJDWNS-JTQLQIEISA-N -2 3 325.745 0.998 20 0 ECADHL Cc1ccc(-n2cc([O-])c(C(=O)OCc3nc(=O)n(C)[n-]3)n2)cc1 ZINC000801371863 586992911 /nfs/dbraw/zinc/99/29/11/586992911.db2.gz VCNWRZVOTNLYND-UHFFFAOYSA-N -2 3 329.316 0.665 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])ccc1F ZINC000817869576 587389908 /nfs/dbraw/zinc/38/99/08/587389908.db2.gz DGERTLDONYMVPY-QMMMGPOBSA-N -2 3 332.353 0.527 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N(C)CCC(=O)[O-])s1 ZINC000818495268 587435607 /nfs/dbraw/zinc/43/56/07/587435607.db2.gz WTWUNNCRABUCLY-UHFFFAOYSA-N -2 3 335.407 0.272 20 0 ECADHL Cn1ccnc([N-]C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c1=O ZINC000819072146 587466719 /nfs/dbraw/zinc/46/67/19/587466719.db2.gz IBAHTFVXKRYYMV-GFCCVEGCSA-N -2 3 341.327 0.438 20 0 ECADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000819092517 587468054 /nfs/dbraw/zinc/46/80/54/587468054.db2.gz YCJRKQRGKRAMEU-KYZUINATSA-N -2 3 331.321 0.754 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC(=O)[O-])C1CC1 ZINC000820534194 587540201 /nfs/dbraw/zinc/54/02/01/587540201.db2.gz JWXLMVKGUMVDTP-SECBINFHSA-N -2 3 331.332 0.710 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC(=O)[O-])C1CC1 ZINC000820534194 587540202 /nfs/dbraw/zinc/54/02/02/587540202.db2.gz JWXLMVKGUMVDTP-SECBINFHSA-N -2 3 331.332 0.710 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000820543285 587540815 /nfs/dbraw/zinc/54/08/15/587540815.db2.gz XRICUMIRQKZWPG-PELKAZGASA-N -2 3 331.332 0.613 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000820543285 587540816 /nfs/dbraw/zinc/54/08/16/587540816.db2.gz XRICUMIRQKZWPG-PELKAZGASA-N -2 3 331.332 0.613 20 0 ECADHL COc1nc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)n[n-]1 ZINC000820881469 587561734 /nfs/dbraw/zinc/56/17/34/587561734.db2.gz COBDNQHTBITREZ-JTQLQIEISA-N -2 3 330.304 0.471 20 0 ECADHL COc1nnc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)[n-]1 ZINC000820881469 587561735 /nfs/dbraw/zinc/56/17/35/587561735.db2.gz COBDNQHTBITREZ-JTQLQIEISA-N -2 3 330.304 0.471 20 0 ECADHL COc1n[n-]c(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)n1 ZINC000820881469 587561736 /nfs/dbraw/zinc/56/17/36/587561736.db2.gz COBDNQHTBITREZ-JTQLQIEISA-N -2 3 330.304 0.471 20 0 ECADHL CCN(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821165854 587576221 /nfs/dbraw/zinc/57/62/21/587576221.db2.gz XGUPWEGJQRFSOE-CMDGGOBGSA-N -2 3 336.377 0.193 20 0 ECADHL CCN(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821165854 587576223 /nfs/dbraw/zinc/57/62/23/587576223.db2.gz XGUPWEGJQRFSOE-CMDGGOBGSA-N -2 3 336.377 0.193 20 0 ECADHL COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821845791 587633489 /nfs/dbraw/zinc/63/34/89/587633489.db2.gz JHWJRXPGIQIJRC-UHFFFAOYSA-N -2 3 335.349 0.410 20 0 ECADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nnn[n-]1 ZINC000822015811 587641357 /nfs/dbraw/zinc/64/13/57/587641357.db2.gz OWBOEHWKVCCDMZ-UHFFFAOYSA-N -2 3 348.392 0.765 20 0 ECADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822015811 587641358 /nfs/dbraw/zinc/64/13/58/587641358.db2.gz OWBOEHWKVCCDMZ-UHFFFAOYSA-N -2 3 348.392 0.765 20 0 ECADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)CCCF ZINC000823049964 587699375 /nfs/dbraw/zinc/69/93/75/587699375.db2.gz NZZKOKKAFJNNCE-UHFFFAOYSA-N -2 3 343.340 0.051 20 0 ECADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)CCCF ZINC000823049964 587699377 /nfs/dbraw/zinc/69/93/77/587699377.db2.gz NZZKOKKAFJNNCE-UHFFFAOYSA-N -2 3 343.340 0.051 20 0 ECADHL O=C(NCCOc1ccc(-c2nnn[n-]2)cc1)c1ncccc1[O-] ZINC000823215184 587710774 /nfs/dbraw/zinc/71/07/74/587710774.db2.gz KUXLXVVCAGDNKQ-UHFFFAOYSA-N -2 3 326.316 0.776 20 0 ECADHL O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ncccc1[O-] ZINC000823215184 587710776 /nfs/dbraw/zinc/71/07/76/587710776.db2.gz KUXLXVVCAGDNKQ-UHFFFAOYSA-N -2 3 326.316 0.776 20 0 ECADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-])s1 ZINC000823585578 587732730 /nfs/dbraw/zinc/73/27/30/587732730.db2.gz LQYFUPZBTDDHLR-UHFFFAOYSA-N -2 3 349.434 0.709 20 0 ECADHL CC(C)[C@H](CCN(C)C(=O)CC[C@H]1NC(=O)[N-]C1=O)NC(=O)[O-] ZINC000824079771 587853583 /nfs/dbraw/zinc/85/35/83/587853583.db2.gz UUPCIFKEWCBXHK-VHSXEESVSA-N -2 3 328.369 0.115 20 0 ECADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824198665 587860429 /nfs/dbraw/zinc/86/04/29/587860429.db2.gz CHFWUKYRDQKAFB-SNVBAGLBSA-N -2 3 343.340 0.393 20 0 ECADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824198665 587860430 /nfs/dbraw/zinc/86/04/30/587860430.db2.gz CHFWUKYRDQKAFB-SNVBAGLBSA-N -2 3 343.340 0.393 20 0 ECADHL C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)NC(=O)[O-] ZINC000824593035 587881385 /nfs/dbraw/zinc/88/13/85/587881385.db2.gz WSQUVUUKKIJAON-NSHDSACASA-N -2 3 335.360 0.723 20 0 ECADHL CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000825033975 587913481 /nfs/dbraw/zinc/91/34/81/587913481.db2.gz BMBZFICIHHQAHE-SNVBAGLBSA-N -2 3 348.388 0.822 20 0 ECADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825067823 587915140 /nfs/dbraw/zinc/91/51/40/587915140.db2.gz NUJIOSLRPFHCOK-SECBINFHSA-N -2 3 339.377 0.741 20 0 ECADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825067823 587915141 /nfs/dbraw/zinc/91/51/41/587915141.db2.gz NUJIOSLRPFHCOK-SECBINFHSA-N -2 3 339.377 0.741 20 0 ECADHL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000825415697 587939003 /nfs/dbraw/zinc/93/90/03/587939003.db2.gz HJICIHBCDHZGAA-KCJUWKMLSA-N -2 3 334.332 0.942 20 0 ECADHL CCN(Cc1nc(=O)n(C)[n-]1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825445044 587941016 /nfs/dbraw/zinc/94/10/16/587941016.db2.gz VHULTWNGIYPZQB-SNVBAGLBSA-N -2 3 328.380 0.872 20 0 ECADHL CCN(Cc1nc(=O)n(C)[n-]1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825445044 587941017 /nfs/dbraw/zinc/94/10/17/587941017.db2.gz VHULTWNGIYPZQB-SNVBAGLBSA-N -2 3 328.380 0.872 20 0 ECADHL COc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)ncn1 ZINC000826180911 588005927 /nfs/dbraw/zinc/00/59/27/588005927.db2.gz COZGEOAVPKMIOJ-UHFFFAOYSA-N -2 3 347.360 0.775 20 0 ECADHL COc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)ncn1 ZINC000826180911 588005929 /nfs/dbraw/zinc/00/59/29/588005929.db2.gz COZGEOAVPKMIOJ-UHFFFAOYSA-N -2 3 347.360 0.775 20 0 ECADHL COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1C ZINC000826211751 588010688 /nfs/dbraw/zinc/01/06/88/588010688.db2.gz SJLXIMPRQZMQND-UHFFFAOYSA-N -2 3 335.349 0.708 20 0 ECADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c1-c1nnn[n-]1 ZINC000826303978 588022326 /nfs/dbraw/zinc/02/23/26/588022326.db2.gz PPFBNJMARHMQSF-UHFFFAOYSA-N -2 3 349.376 0.165 20 0 ECADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c1-c1nn[n-]n1 ZINC000826303978 588022328 /nfs/dbraw/zinc/02/23/28/588022328.db2.gz PPFBNJMARHMQSF-UHFFFAOYSA-N -2 3 349.376 0.165 20 0 ECADHL Cc1ocnc1C[N-]S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826343063 588028364 /nfs/dbraw/zinc/02/83/64/588028364.db2.gz LBGWDRDSDCUSNA-UHFFFAOYSA-N -2 3 338.324 0.781 20 0 ECADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826492670 588062454 /nfs/dbraw/zinc/06/24/54/588062454.db2.gz XINCQCPZJPYEKF-UHFFFAOYSA-N -2 3 327.276 0.669 20 0 ECADHL O=S(=O)([N-]c1noc(C2CC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493353 588062812 /nfs/dbraw/zinc/06/28/12/588062812.db2.gz GWBKFAYEHLPTPW-UHFFFAOYSA-N -2 3 333.333 0.928 20 0 ECADHL O=S(=O)([N-]c1noc(C2CC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493353 588062814 /nfs/dbraw/zinc/06/28/14/588062814.db2.gz GWBKFAYEHLPTPW-UHFFFAOYSA-N -2 3 333.333 0.928 20 0 ECADHL CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N=c1cc[n-]n1[C@H](C)C1CC1 ZINC000827539304 588126200 /nfs/dbraw/zinc/12/62/00/588126200.db2.gz QWORXKSXANWBQD-KOLCDFICSA-N -2 3 338.364 0.804 20 0 ECADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000827759943 588139539 /nfs/dbraw/zinc/13/95/39/588139539.db2.gz FAMSJURAHXLLSP-UTLUCORTSA-N -2 3 346.430 0.594 20 0 ECADHL C[C@H](OC(=O)c1ccc([O-])cc1O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827862163 588144462 /nfs/dbraw/zinc/14/44/62/588144462.db2.gz WEPUPLFPWLMRKR-VIFPVBQESA-N -2 3 337.328 0.966 20 0 ECADHL C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1=O ZINC000828200238 588165462 /nfs/dbraw/zinc/16/54/62/588165462.db2.gz DDQQGDDGTAUCNT-VGMNWLOBSA-N -2 3 328.346 0.265 20 0 ECADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCNC(=O)[O-] ZINC000828736928 588202137 /nfs/dbraw/zinc/20/21/37/588202137.db2.gz AVUHIVUVXOETDW-UHFFFAOYSA-N -2 3 334.325 0.548 20 0 ECADHL CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829822742 588343057 /nfs/dbraw/zinc/34/30/57/588343057.db2.gz MCDGDZCKTKHOHY-LBPRGKRZSA-N -2 3 348.421 0.349 20 0 ECADHL Cc1cc(C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)ccc1NC(=O)[O-] ZINC000829924449 588348316 /nfs/dbraw/zinc/34/83/16/588348316.db2.gz HJNUZKNPAWYCRM-OAHLLOKOSA-N -2 3 332.316 0.509 20 0 ECADHL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000829966682 588350991 /nfs/dbraw/zinc/35/09/91/588350991.db2.gz MJBVVJVWNQAELP-JTQLQIEISA-N -2 3 348.377 0.058 20 0 ECADHL Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H](C)CNC(=O)[O-])c([O-])c1 ZINC000830217272 588365774 /nfs/dbraw/zinc/36/57/74/588365774.db2.gz VDSCLPKWBUSHNC-NSHDSACASA-N -2 3 337.376 0.935 20 0 ECADHL Cc1nc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CNC(=O)[O-])cn1C ZINC000830773613 588385162 /nfs/dbraw/zinc/38/51/62/588385162.db2.gz BDTDEEWHMMNZCX-MNOVXSKESA-N -2 3 330.410 0.833 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c(C)o1 ZINC000831029309 588400292 /nfs/dbraw/zinc/40/02/92/588400292.db2.gz NMXOFHCTULTJFC-UHFFFAOYSA-N -2 3 341.345 0.785 20 0 ECADHL COC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cc1[O-] ZINC000831210102 588413913 /nfs/dbraw/zinc/41/39/13/588413913.db2.gz LOCRQYOMTSDJKV-ZETCQYMHSA-N -2 3 340.288 0.317 20 0 ECADHL O=C([O-])N1CC[C@](F)(C(=O)NCCNC(=O)c2ccc([O-])cc2)C1 ZINC000831688356 588441716 /nfs/dbraw/zinc/44/17/16/588441716.db2.gz AUPFXAVOQOAJLL-OAHLLOKOSA-N -2 3 339.323 0.330 20 0 ECADHL O=C([O-])N1CC([N-]S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000831852989 588454332 /nfs/dbraw/zinc/45/43/32/588454332.db2.gz ZWHHZKBNMOKPPB-UHFFFAOYSA-N -2 3 336.782 0.690 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCCN(C)C1 ZINC000831934786 588457514 /nfs/dbraw/zinc/45/75/14/588457514.db2.gz VFFUZCBYMWWVRI-QMMMGPOBSA-N -2 3 334.419 0.827 20 0 ECADHL O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)C1 ZINC000832271241 588477297 /nfs/dbraw/zinc/47/72/97/588477297.db2.gz WKWFXJZCXIAHNV-NWDGAFQWSA-N -2 3 335.360 0.675 20 0 ECADHL Cc1oc(S(=O)(=O)[N-][C@H](C)[C@H]2CN(C)CCO2)cc1C(=O)[O-] ZINC000833027552 588514916 /nfs/dbraw/zinc/51/49/16/588514916.db2.gz GWGDEPDNLHEODZ-LDYMZIIASA-N -2 3 332.378 0.284 20 0 ECADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(N)=O)cc1C(=O)[O-] ZINC000833027761 588514984 /nfs/dbraw/zinc/51/49/84/588514984.db2.gz JEWXWPFSOGZPIZ-SCZZXKLOSA-N -2 3 330.362 0.609 20 0 ECADHL O=C([O-])Nc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)cc1[O-] ZINC000833282669 588533581 /nfs/dbraw/zinc/53/35/81/588533581.db2.gz MZZBXPUWGMDCIQ-UHFFFAOYSA-N -2 3 337.288 0.627 20 0 ECADHL O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000833358570 588536057 /nfs/dbraw/zinc/53/60/57/588536057.db2.gz LWZSMKZAVTXNAA-NEPJUHHUSA-N -2 3 337.376 0.420 20 0 ECADHL CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833657039 588557097 /nfs/dbraw/zinc/55/70/97/588557097.db2.gz PYKILONNEMUIEA-RQJHMYQMSA-N -2 3 336.391 0.707 20 0 ECADHL O=C([O-])c1ccccc1CS(=O)(=O)[N-]CC(=O)Nc1cccnc1 ZINC000833764393 588566025 /nfs/dbraw/zinc/56/60/25/588566025.db2.gz FCROBTNVWKTXKI-UHFFFAOYSA-N -2 3 349.368 0.838 20 0 ECADHL O=C([O-])N1CC[C@H](C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000834041385 588590279 /nfs/dbraw/zinc/59/02/79/588590279.db2.gz LCLUQDRTGGTJQG-VIFPVBQESA-N -2 3 347.418 0.143 20 0 ECADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)nc1Cl)C(=O)[O-] ZINC000844805743 589122255 /nfs/dbraw/zinc/12/22/55/589122255.db2.gz RYQWLSLRLYZOGU-SSDOTTSWSA-N -2 3 336.753 0.338 20 0 ECADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000846003199 589180757 /nfs/dbraw/zinc/18/07/57/589180757.db2.gz YYLIDYVFPKDGJC-UHFFFAOYSA-N -2 3 345.352 0.056 20 0 ECADHL CCOC(=O)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733768 589508614 /nfs/dbraw/zinc/50/86/14/589508614.db2.gz YPUKUTPKSOFIJT-WCBMZHEXSA-N -2 3 340.298 0.536 20 0 ECADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC000853070293 589531272 /nfs/dbraw/zinc/53/12/72/589531272.db2.gz WLUKWKLJUYGLDD-SSDOTTSWSA-N -2 3 332.359 0.381 20 0 ECADHL CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000860754044 589798775 /nfs/dbraw/zinc/79/87/75/589798775.db2.gz ADQXHPOZHTXNEP-LBPRGKRZSA-N -2 3 326.378 0.968 20 0 ECADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000863408804 590011575 /nfs/dbraw/zinc/01/15/75/590011575.db2.gz UAPMHDYBJYNIED-WPRPVWTQSA-N -2 3 329.378 0.491 20 0 ECADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ncc(C(=O)[O-])cn1 ZINC000863421610 590013085 /nfs/dbraw/zinc/01/30/85/590013085.db2.gz YVPORSVILJNMFQ-UHFFFAOYSA-N -2 3 345.768 0.349 20 0 ECADHL O=C([N-][N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccn1 ZINC000047417526 608668856 /nfs/dbraw/zinc/66/88/56/608668856.db2.gz TUJKOSZHIDIFRN-UHFFFAOYSA-N -2 3 340.292 0.752 20 0 ECADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NN1CC(=O)[N-]C1=O ZINC000041823138 609500399 /nfs/dbraw/zinc/50/03/99/609500399.db2.gz ZWNAMLRNVDYJJE-UHFFFAOYSA-N -2 3 347.356 0.032 20 0 ECADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000912559337 609972301 /nfs/dbraw/zinc/97/23/01/609972301.db2.gz ZCMVVWFNEURKIP-QMMMGPOBSA-N -2 3 347.393 0.817 20 0 ECADHL C[C@@H]1C[C@H](CNCc2n[nH]c(=O)[n-]2)CN1C(=O)c1ncccc1[O-] ZINC000980531027 749717379 /nfs/dbraw/zinc/71/73/79/749717379.db2.gz NFWOYKYEHHLGIJ-NXEZZACHSA-N -2 3 332.364 0.251 20 0 ECADHL O=C(NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ncccc1[O-] ZINC000982669470 753272759 /nfs/dbraw/zinc/27/27/59/753272759.db2.gz CPQKRVBDBLZBQU-NSHDSACASA-N -2 3 342.355 0.780 20 0 ECADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001048225760 760112301 /nfs/dbraw/zinc/11/23/01/760112301.db2.gz GIPUMNDJCRRACV-ZJUUUORDSA-N -2 3 332.364 0.109 20 0 ECADHL O=C(N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2)c1ncccc1[O-] ZINC001016590384 766551588 /nfs/dbraw/zinc/55/15/88/766551588.db2.gz IQCHEJCUTLZOBG-LLVKDONJSA-N -2 3 344.375 0.395 20 0 ECADHL Cc1cnc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)c([O-])c1 ZINC000427627331 210210522 /nfs/dbraw/zinc/21/05/22/210210522.db2.gz ZSGRXGFPZGWHQF-UHFFFAOYSA-N -2 3 341.414 0.865 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)o1 ZINC000262655009 290787407 /nfs/dbraw/zinc/78/74/07/290787407.db2.gz KKZMOKXLQCILAT-SNVBAGLBSA-N -2 3 330.362 0.575 20 0 ECADHL CCn1cnnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000298833895 201355643 /nfs/dbraw/zinc/35/56/43/201355643.db2.gz BXSYOPLWOLQQOH-UHFFFAOYSA-N -2 3 328.325 0.614 20 0 ECADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])sc1Cl ZINC000231806524 242272144 /nfs/dbraw/zinc/27/21/44/242272144.db2.gz DXVARQGVCNTEMT-RXMQYKEDSA-N -2 3 326.783 0.317 20 0 ECADHL CC(C)N(CC(=O)[O-])C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000263294836 245385625 /nfs/dbraw/zinc/38/56/25/245385625.db2.gz XPLBTAXQWOWRQP-MRXNPFEDSA-N -2 3 333.344 0.676 20 0 ECADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000451038238 211356666 /nfs/dbraw/zinc/35/66/66/211356666.db2.gz MUIPUJXCYBISKC-UWVGGRQHSA-N -2 3 344.389 0.945 20 0 ECADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000445546316 211118882 /nfs/dbraw/zinc/11/88/82/211118882.db2.gz CVMGTAIWNCNOJB-UHFFFAOYSA-N -2 3 348.431 0.775 20 0 ECADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])s1 ZINC000270410316 263240053 /nfs/dbraw/zinc/24/00/53/263240053.db2.gz BUYKKGHDVDQIHE-ZCFIWIBFSA-N -2 3 337.375 0.685 20 0 ECADHL C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cn[n-]n2)C1=O ZINC000298944430 265306115 /nfs/dbraw/zinc/30/61/15/265306115.db2.gz NLBNUVHYKJOZNN-OAHLLOKOSA-N -2 3 328.332 0.393 20 0 ECADHL C[C@@]1(c2cccc([N-]S(=O)(=O)c3c[nH]cn3)c2)NC(=O)[N-]C1=O ZINC000346675518 298316471 /nfs/dbraw/zinc/31/64/71/298316471.db2.gz CQCAOLFYDVNEHF-ZDUSSCGKSA-N -2 3 335.345 0.265 20 0 ECADHL O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000013269168 436061843 /nfs/dbraw/zinc/06/18/43/436061843.db2.gz DOLUBQVMVSAHCU-NSHDSACASA-N -2 3 331.300 0.662 20 0 ECADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1(C(=O)[O-])COC1 ZINC000372259647 300982937 /nfs/dbraw/zinc/98/29/37/300982937.db2.gz BORYMCNRDZFKLZ-UHFFFAOYSA-N -2 3 349.748 0.259 20 0 ECADHL C[C@]1(c2cccc([N-]S(=O)(=O)c3cn[nH]c3)c2)NC(=O)[N-]C1=O ZINC000057118325 436604771 /nfs/dbraw/zinc/60/47/71/436604771.db2.gz JUMCVCQOFQMPQB-CYBMUJFWSA-N -2 3 335.345 0.265 20 0 ECADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000530337997 302004071 /nfs/dbraw/zinc/00/40/71/302004071.db2.gz HLEMQDZNNMQOAD-VIFPVBQESA-N -2 3 330.391 0.598 20 0 ECADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530382555 302006982 /nfs/dbraw/zinc/00/69/82/302006982.db2.gz UDMMYJRAIJYCEA-JTQLQIEISA-N -2 3 345.402 0.903 20 0 ECADHL COC(=O)c1csc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC)c1 ZINC000530487854 302012549 /nfs/dbraw/zinc/01/25/49/302012549.db2.gz ASGLJWJHILZNMF-QMMMGPOBSA-N -2 3 337.375 0.303 20 0 ECADHL C[C@@](NC(=O)C[N-]S(=O)(=O)c1cccs1)(C(=O)[O-])C1CC1 ZINC000539605588 302171362 /nfs/dbraw/zinc/17/13/62/302171362.db2.gz ZVEVOZZBEOWSQO-LBPRGKRZSA-N -2 3 332.403 0.396 20 0 ECADHL 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ECADHL O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-])c1ncccc1[O-] ZINC000684843755 549630770 /nfs/dbraw/zinc/63/07/70/549630770.db2.gz AEVNUPHRHFSQKJ-PHIMTYICSA-N -2 3 342.355 0.969 20 0 ECADHL Cn1ncc(Cl)c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000685208833 549667445 /nfs/dbraw/zinc/66/74/45/549667445.db2.gz LIKPWJNUGKYCFS-RXMQYKEDSA-N -2 3 331.728 0.708 20 0 ECADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1nnn[n-]1 ZINC000735736374 578395015 /nfs/dbraw/zinc/39/50/15/578395015.db2.gz TZFSCTWOFSFEIC-GFCCVEGCSA-N -2 3 343.351 0.100 20 0 ECADHL CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000736375958 578426196 /nfs/dbraw/zinc/42/61/96/578426196.db2.gz MMIKLHMUTCFNNE-BZNIZROVSA-N -2 3 348.359 0.972 20 0 ECADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CN1CCOCC1 ZINC000736606905 578441203 /nfs/dbraw/zinc/44/12/03/578441203.db2.gz MWEKTZYOJBGOCA-JTQLQIEISA-N -2 3 332.378 0.224 20 0 ECADHL C[C@]1(c2cccc(NC(=O)CCCNC(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000736740773 578448517 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O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc2nonc21 ZINC000776535879 579283149 /nfs/dbraw/zinc/28/31/49/579283149.db2.gz ARKRHVPPDUSJBM-WPRPVWTQSA-N -2 3 341.345 0.381 20 0 ECADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(F)c1)[C@H](O)c1ccccc1 ZINC000776596730 579285803 /nfs/dbraw/zinc/28/58/03/579285803.db2.gz LFLYKUVYRXKLPY-CHWSQXEVSA-N -2 3 340.332 0.686 20 0 ECADHL O=C(c1ccc2[n-]c(=S)oc2c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000778857769 579311979 /nfs/dbraw/zinc/31/19/79/579311979.db2.gz XXCRHAKUQWZPFA-SECBINFHSA-N -2 3 332.341 0.493 20 0 ECADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000760517458 579511832 /nfs/dbraw/zinc/51/18/32/579511832.db2.gz PJBJOWALZWPAEU-UHFFFAOYSA-N -2 3 347.219 0.897 20 0 ECADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000760517458 579511834 /nfs/dbraw/zinc/51/18/34/579511834.db2.gz PJBJOWALZWPAEU-UHFFFAOYSA-N -2 3 347.219 0.897 20 0 ECADHL CCc1nncn1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000761311242 579527287 /nfs/dbraw/zinc/52/72/87/579527287.db2.gz CQEVEGAGQQZMRH-UHFFFAOYSA-N -2 3 342.352 0.656 20 0 ECADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000761650815 579530529 /nfs/dbraw/zinc/53/05/29/579530529.db2.gz NAXUBOSABNYTPE-CYBMUJFWSA-N -2 3 332.378 0.869 20 0 ECADHL O=S(=O)([N-]c1nnc[nH]1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738338160 579621758 /nfs/dbraw/zinc/62/17/58/579621758.db2.gz CSYRWENXHSALOO-UHFFFAOYSA-N -2 3 326.729 0.439 20 0 ECADHL Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000738839472 579651887 /nfs/dbraw/zinc/65/18/87/579651887.db2.gz LNBGSHMGPZTYAO-UHFFFAOYSA-N -2 3 347.360 0.850 20 0 ECADHL Cc1nnc(NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)[nH]1 ZINC000738866694 579653232 /nfs/dbraw/zinc/65/32/32/579653232.db2.gz XUNFGIHARIOBIV-UHFFFAOYSA-N -2 3 342.315 0.472 20 0 ECADHL C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000738892842 579653828 /nfs/dbraw/zinc/65/38/28/579653828.db2.gz WMVLXUMFVHZQNF-NEPJUHHUSA-N -2 3 335.408 0.804 20 0 ECADHL C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000738911587 579655088 /nfs/dbraw/zinc/65/50/88/579655088.db2.gz MHHGBNJKSURHOU-LLVKDONJSA-N -2 3 336.392 0.848 20 0 ECADHL CCC[C@@H](NC(=O)[O-])C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000739315509 579681156 /nfs/dbraw/zinc/68/11/56/579681156.db2.gz IWYYREZLTHOXCS-SECBINFHSA-N -2 3 349.434 0.709 20 0 ECADHL CCN(CC(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-] ZINC000739396037 579684941 /nfs/dbraw/zinc/68/49/41/579684941.db2.gz NJODDGQDVZINNR-HNNXBMFYSA-N -2 3 334.332 0.680 20 0 ECADHL CCN(CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-] ZINC000739398400 579685054 /nfs/dbraw/zinc/68/50/54/579685054.db2.gz VUUJIBJJWLBYKV-HNNXBMFYSA-N -2 3 334.332 0.680 20 0 ECADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC(=O)[O-])c2)n1 ZINC000739535322 579693165 /nfs/dbraw/zinc/69/31/65/579693165.db2.gz BEBRNLHACVUANQ-UHFFFAOYSA-N -2 3 344.327 0.551 20 0 ECADHL CN(CC[N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000739701558 579704873 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CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCCNC(=O)[O-] ZINC000739997499 579726516 /nfs/dbraw/zinc/72/65/16/579726516.db2.gz IOPUEHHCSCFAJV-UHFFFAOYSA-N -2 3 336.391 0.026 20 0 ECADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc3c(c1)C(=O)[N-]C3=O)CC2 ZINC000740314511 579737490 /nfs/dbraw/zinc/73/74/90/579737490.db2.gz AWBJPPAJDNRROR-LBPRGKRZSA-N -2 3 328.324 0.897 20 0 ECADHL O=C([O-])[C@@H](OC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1cccc(Cl)c1 ZINC000740317573 579737706 /nfs/dbraw/zinc/73/77/06/579737706.db2.gz UWYDWJQKTDALDC-ONGXEEELSA-N -2 3 340.719 0.997 20 0 ECADHL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000740578374 579753417 /nfs/dbraw/zinc/75/34/17/579753417.db2.gz GUTLBPPNYZNCCC-IUCAKERBSA-N -2 3 340.357 0.984 20 0 ECADHL O=C([O-])N[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000740587330 579754027 /nfs/dbraw/zinc/75/40/27/579754027.db2.gz RFGXADRXYNRYHN-DGCLKSJQSA-N -2 3 347.371 0.865 20 0 ECADHL O=C([O-])NC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000740608594 579755340 /nfs/dbraw/zinc/75/53/40/579755340.db2.gz OBAPIEOAZQIQSE-NSHDSACASA-N -2 3 332.316 0.738 20 0 ECADHL O=C([O-])N1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)c2ccccc2C1 ZINC000740732218 579760959 /nfs/dbraw/zinc/76/09/59/579760959.db2.gz JEPCWRFKVNQXKU-LLVKDONJSA-N -2 3 346.343 0.501 20 0 ECADHL O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2nc(SCCO)n[n-]2)C1 ZINC000834170973 588886597 /nfs/dbraw/zinc/88/65/97/588886597.db2.gz WQSDSXBQFJQKNF-SFYZADRCSA-N -2 3 329.382 0.654 20 0 ECADHL O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2n[n-]c(SCCO)n2)C1 ZINC000834170973 588886599 /nfs/dbraw/zinc/88/65/99/588886599.db2.gz WQSDSXBQFJQKNF-SFYZADRCSA-N -2 3 329.382 0.654 20 0 ECADHL O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@H]21 ZINC000834180293 588887057 /nfs/dbraw/zinc/88/70/57/588887057.db2.gz JYUVQOUFVQHMJG-RAIGVLPGSA-N -2 3 331.376 0.891 20 0 ECADHL Cc1c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cnn1-c1ccccn1 ZINC000837296680 588948331 /nfs/dbraw/zinc/94/83/31/588948331.db2.gz RCNQOSKWAWWHEM-SECBINFHSA-N -2 3 328.325 0.277 20 0 ECADHL Cn1ncc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000840889488 588974477 /nfs/dbraw/zinc/97/44/77/588974477.db2.gz IJTMHCWYAPSFLY-UHFFFAOYSA-N -2 3 342.352 0.564 20 0 ECADHL CC(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736135202 586766620 /nfs/dbraw/zinc/76/66/20/586766620.db2.gz AQHICDWRDWNQLR-UHFFFAOYSA-N -2 3 330.362 0.515 20 0 ECADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)nnn1C(C)C ZINC000838911904 586828588 /nfs/dbraw/zinc/82/85/88/586828588.db2.gz BPUYFLTWMQZPMP-UHFFFAOYSA-N -2 3 349.376 0.557 20 0 ECADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)C[C@H]1CCCO1)Oc1ccccc1 ZINC000800922413 586976908 /nfs/dbraw/zinc/97/69/08/586976908.db2.gz NHCWKPYDNBPTOY-CHWSQXEVSA-N -2 3 329.374 0.617 20 0 ECADHL CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906791437 586984342 /nfs/dbraw/zinc/98/43/42/586984342.db2.gz VRGDATSNCWYNOP-NSHDSACASA-N -2 3 328.390 0.805 20 0 ECADHL CC1(C)CN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCO1 ZINC000906945620 586997596 /nfs/dbraw/zinc/99/75/96/586997596.db2.gz UZWYBUMNCLHJJN-UHFFFAOYSA-N -2 3 348.446 0.835 20 0 ECADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccc2nonc21)C(F)F ZINC000809226760 587172514 /nfs/dbraw/zinc/17/25/14/587172514.db2.gz JUGBGIUKPIVGLR-LURJTMIESA-N -2 3 335.288 0.857 20 0 ECADHL O=C([O-])c1ccc(N2CCC([N-]S(=O)(=O)C(F)F)CC2)nc1 ZINC000817419597 587341749 /nfs/dbraw/zinc/34/17/49/587341749.db2.gz DRYSTQAFIJOMHQ-UHFFFAOYSA-N -2 3 335.332 0.891 20 0 ECADHL C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC000820275411 587523196 /nfs/dbraw/zinc/52/31/96/587523196.db2.gz QFFVQABHVCQMQI-LURJTMIESA-N -2 3 345.768 0.519 20 0 ECADHL C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820275411 587523198 /nfs/dbraw/zinc/52/31/98/587523198.db2.gz QFFVQABHVCQMQI-LURJTMIESA-N -2 3 345.768 0.519 20 0 ECADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)cn1C ZINC000821247103 587579519 /nfs/dbraw/zinc/57/95/19/587579519.db2.gz FZMJLWMOAAKYJF-ONGXEEELSA-N -2 3 333.410 0.257 20 0 ECADHL CCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000821309043 587584105 /nfs/dbraw/zinc/58/41/05/587584105.db2.gz JQFJROUIFFTLTA-UHFFFAOYSA-N -2 3 334.365 0.822 20 0 ECADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000821309043 587584106 /nfs/dbraw/zinc/58/41/06/587584106.db2.gz JQFJROUIFFTLTA-UHFFFAOYSA-N -2 3 334.365 0.822 20 0 ECADHL O=C([O-])c1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(F)c1 ZINC000821547116 587599894 /nfs/dbraw/zinc/59/98/94/587599894.db2.gz JBSLBGXVLKESPD-SNVBAGLBSA-N -2 3 336.279 0.292 20 0 ECADHL COCCO[N-]C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821692789 587623798 /nfs/dbraw/zinc/62/37/98/587623798.db2.gz CDQRWRUKSLTTJD-ZDUSSCGKSA-N -2 3 335.364 0.964 20 0 ECADHL COCCO[N-]C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821692789 587623800 /nfs/dbraw/zinc/62/38/00/587623800.db2.gz CDQRWRUKSLTTJD-ZDUSSCGKSA-N -2 3 335.364 0.964 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000821700549 587625459 /nfs/dbraw/zinc/62/54/59/587625459.db2.gz RLDPQSMBMBDZSZ-ZDUSSCGKSA-N -2 3 347.331 0.234 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000821700549 587625460 /nfs/dbraw/zinc/62/54/60/587625460.db2.gz RLDPQSMBMBDZSZ-ZDUSSCGKSA-N -2 3 347.331 0.234 20 0 ECADHL COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1C ZINC000821845381 587633212 /nfs/dbraw/zinc/63/32/12/587633212.db2.gz FJKPWGGWCPRCAZ-UHFFFAOYSA-N -2 3 349.376 0.718 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1=COCC1 ZINC000822222755 587649198 /nfs/dbraw/zinc/64/91/98/587649198.db2.gz RYMJLCNNWUHQGB-UHFFFAOYSA-N -2 3 335.345 0.284 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1=COCC1 ZINC000822222755 587649199 /nfs/dbraw/zinc/64/91/99/587649199.db2.gz RYMJLCNNWUHQGB-UHFFFAOYSA-N -2 3 335.345 0.284 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823285384 587714280 /nfs/dbraw/zinc/71/42/80/587714280.db2.gz RQFKMPZZCXZCOB-NWDGAFQWSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823285384 587714281 /nfs/dbraw/zinc/71/42/81/587714281.db2.gz RQFKMPZZCXZCOB-NWDGAFQWSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([O-])CCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823387090 587719346 /nfs/dbraw/zinc/71/93/46/587719346.db2.gz CJUPYMIBTQHPDY-UHFFFAOYSA-N -2 3 325.350 0.400 20 0 ECADHL O=C([O-])CCCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823387090 587719348 /nfs/dbraw/zinc/71/93/48/587719348.db2.gz CJUPYMIBTQHPDY-UHFFFAOYSA-N -2 3 325.350 0.400 20 0 ECADHL CC(C)(CNC(=O)[O-])C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000823969038 587845976 /nfs/dbraw/zinc/84/59/76/587845976.db2.gz DQMSNQTZUFWVFO-MRXNPFEDSA-N -2 3 348.359 0.974 20 0 ECADHL C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000824412823 587872634 /nfs/dbraw/zinc/87/26/34/587872634.db2.gz GOAPZGMDAXNHFF-UWVGGRQHSA-N -2 3 333.348 0.813 20 0 ECADHL C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824412823 587872636 /nfs/dbraw/zinc/87/26/36/587872636.db2.gz GOAPZGMDAXNHFF-UWVGGRQHSA-N -2 3 333.348 0.813 20 0 ECADHL C[C@H](CC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)NC(=O)[O-] ZINC000824684941 587886490 /nfs/dbraw/zinc/88/64/90/587886490.db2.gz GVWOKTPCRHVSEY-ANRSDYALSA-N -2 3 334.332 0.726 20 0 ECADHL C[C@H](O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824697810 587888051 /nfs/dbraw/zinc/88/80/51/587888051.db2.gz GLMNGYVQCIBJID-LURJTMIESA-N -2 3 333.320 0.194 20 0 ECADHL C[C@H](O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824697810 587888053 /nfs/dbraw/zinc/88/80/53/587888053.db2.gz GLMNGYVQCIBJID-LURJTMIESA-N -2 3 333.320 0.194 20 0 ECADHL C[C@@H](CN(C)C(=O)[O-])C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000824887633 587900980 /nfs/dbraw/zinc/90/09/80/587900980.db2.gz ATJCOHHYBKKQQV-QMMMGPOBSA-N -2 3 328.346 0.794 20 0 ECADHL CCC(=O)N1CC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])C1 ZINC000825034720 587913433 /nfs/dbraw/zinc/91/34/33/587913433.db2.gz NZIKHLXYQPMXAB-SNVBAGLBSA-N -2 3 330.348 0.769 20 0 ECADHL CCc1nn(C)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825762840 587959790 /nfs/dbraw/zinc/95/97/90/587959790.db2.gz IYMGTFXCOGAOPF-UHFFFAOYSA-N -2 3 333.377 0.963 20 0 ECADHL CCc1nn(C)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825762840 587959792 /nfs/dbraw/zinc/95/97/92/587959792.db2.gz IYMGTFXCOGAOPF-UHFFFAOYSA-N -2 3 333.377 0.963 20 0 ECADHL C[C@@]1(c2cccc(C(=O)N3CC[C@@H](NC(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000825766078 587960009 /nfs/dbraw/zinc/96/00/09/587960009.db2.gz HZYIIVILGRCDJK-BZNIZROVSA-N -2 3 346.343 0.223 20 0 ECADHL CCn1cc(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cn1 ZINC000825799929 587961965 /nfs/dbraw/zinc/96/19/65/587961965.db2.gz WWWCZIVBPIEOJM-UHFFFAOYSA-N -2 3 327.304 0.610 20 0 ECADHL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])s1 ZINC000825855109 587966542 /nfs/dbraw/zinc/96/65/42/587966542.db2.gz UNEPBMMBMLWFMP-SFYZADRCSA-N -2 3 334.419 0.944 20 0 ECADHL C[C@@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)[C@H]1CNC(=O)[O-] ZINC000825932160 587974021 /nfs/dbraw/zinc/97/40/21/587974021.db2.gz PMFNSQWBHFKKKH-KOLCDFICSA-N -2 3 334.380 0.937 20 0 ECADHL Cc1cccc(S(=O)(=O)NCCCC(=O)[O-])c1-c1nnn[n-]1 ZINC000826303544 588022649 /nfs/dbraw/zinc/02/26/49/588022649.db2.gz UMBCEXTWFZOOOD-UHFFFAOYSA-N -2 3 325.350 0.318 20 0 ECADHL Cc1cccc(S(=O)(=O)NCCCC(=O)[O-])c1-c1nn[n-]n1 ZINC000826303544 588022651 /nfs/dbraw/zinc/02/26/51/588022651.db2.gz UMBCEXTWFZOOOD-UHFFFAOYSA-N -2 3 325.350 0.318 20 0 ECADHL Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)no1 ZINC000826326326 588025771 /nfs/dbraw/zinc/02/57/71/588025771.db2.gz KPPWSVYSYUPUSC-UHFFFAOYSA-N -2 3 339.312 0.176 20 0 ECADHL Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC000826326326 588025773 /nfs/dbraw/zinc/02/57/73/588025773.db2.gz KPPWSVYSYUPUSC-UHFFFAOYSA-N -2 3 339.312 0.176 20 0 ECADHL C[C@@H](CC(=O)[O-])C(=O)OCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000827342120 588113670 /nfs/dbraw/zinc/11/36/70/588113670.db2.gz RTJKEVLPXMOKHU-VIFPVBQESA-N -2 3 343.357 0.895 20 0 ECADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000827375339 588116324 /nfs/dbraw/zinc/11/63/24/588116324.db2.gz UYLFBBOAABVZIO-JTQLQIEISA-N -2 3 336.344 0.742 20 0 ECADHL CCc1cccc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1[O-] ZINC000827596731 588130808 /nfs/dbraw/zinc/13/08/08/588130808.db2.gz YMEYFRSDXGUNEO-UHFFFAOYSA-N -2 3 335.360 0.507 20 0 ECADHL CN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827776175 588140511 /nfs/dbraw/zinc/14/05/11/588140511.db2.gz ZREJFUPFLFNIDF-VIFPVBQESA-N -2 3 347.418 0.237 20 0 ECADHL C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C[C@@H]1C(=O)[O-] ZINC000828392871 588176087 /nfs/dbraw/zinc/17/60/87/588176087.db2.gz DOPPWUOEIWJGMT-ZPQPFTAQSA-N -2 3 345.355 0.534 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)c(C)o1 ZINC000828578566 588190879 /nfs/dbraw/zinc/19/08/79/588190879.db2.gz BVRXYFAOGUTMSB-SNVBAGLBSA-N -2 3 347.393 0.518 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NCCN(C)C(=O)[O-])ccc1F ZINC000828578862 588191105 /nfs/dbraw/zinc/19/11/05/588191105.db2.gz FMAYGSLSNKIICN-UHFFFAOYSA-N -2 3 333.341 0.073 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCN(C(=O)[O-])C2)c(C)o1 ZINC000828579999 588191194 /nfs/dbraw/zinc/19/11/94/588191194.db2.gz SKXMQPNEJAASRO-SECBINFHSA-N -2 3 346.361 0.653 20 0 ECADHL CCCS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829545821 588328946 /nfs/dbraw/zinc/32/89/46/588328946.db2.gz ONEZHNLJWWGNOY-VIFPVBQESA-N -2 3 332.403 0.881 20 0 ECADHL CCN(Cc1ccccc1)S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)OC ZINC000829728193 588337668 /nfs/dbraw/zinc/33/76/68/588337668.db2.gz VQYOMCJWDGGYRS-LBPRGKRZSA-N -2 3 344.389 0.359 20 0 ECADHL Cc1cc(=O)[n-]c(CN2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000830122607 588361273 /nfs/dbraw/zinc/36/12/73/588361273.db2.gz NYYVOHAJJVQWKK-LLVKDONJSA-N -2 3 337.380 0.086 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c(C)o1 ZINC000831029192 588400308 /nfs/dbraw/zinc/40/03/08/588400308.db2.gz JZAUOFDYUNFSLA-XCBNKYQSSA-N -2 3 330.362 0.289 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/nfs/dbraw/zinc/46/80/19/587468019.db2.gz WIAYRJGDJZFNRH-LJGSYFOKSA-N -2 3 349.311 0.893 20 0 ECADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000820112093 587510325 /nfs/dbraw/zinc/51/03/25/587510325.db2.gz JIAKIDOEQAMUNF-UHFFFAOYSA-N -2 3 348.392 0.915 20 0 ECADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000820112093 587510327 /nfs/dbraw/zinc/51/03/27/587510327.db2.gz JIAKIDOEQAMUNF-UHFFFAOYSA-N -2 3 348.392 0.915 20 0 ECADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCO1 ZINC000820577308 587542734 /nfs/dbraw/zinc/54/27/34/587542734.db2.gz NWPDZFMDKRIWFN-ZDUSSCGKSA-N -2 3 337.361 0.241 20 0 ECADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCO1 ZINC000820577308 587542736 /nfs/dbraw/zinc/54/27/36/587542736.db2.gz NWPDZFMDKRIWFN-ZDUSSCGKSA-N -2 3 337.361 0.241 20 0 ECADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)CC(C)(C)C ZINC000821245833 587579603 /nfs/dbraw/zinc/57/96/03/587579603.db2.gz AVIGWICEPFYBGJ-ZJUUUORDSA-N -2 3 334.394 0.820 20 0 ECADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n[nH]c1C1CC1 ZINC000822020581 587641509 /nfs/dbraw/zinc/64/15/09/587641509.db2.gz FIPAHFDURYFUGY-UHFFFAOYSA-N -2 3 346.376 0.971 20 0 ECADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n[nH]c1C1CC1 ZINC000822020581 587641511 /nfs/dbraw/zinc/64/15/11/587641511.db2.gz FIPAHFDURYFUGY-UHFFFAOYSA-N -2 3 346.376 0.971 20 0 ECADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822394544 587657590 /nfs/dbraw/zinc/65/75/90/587657590.db2.gz CUYPQRSDAQVFPL-UHFFFAOYSA-N -2 3 338.324 0.781 20 0 ECADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822394544 587657592 /nfs/dbraw/zinc/65/75/92/587657592.db2.gz CUYPQRSDAQVFPL-UHFFFAOYSA-N -2 3 338.324 0.781 20 0 ECADHL O=C(C=CC1CC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822923199 587690944 /nfs/dbraw/zinc/69/09/44/587690944.db2.gz OCPIYYICMUFIGS-FPLPWBNLSA-N -2 3 333.373 0.779 20 0 ECADHL O=C(C=CC1CC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822923199 587690946 /nfs/dbraw/zinc/69/09/46/587690946.db2.gz OCPIYYICMUFIGS-FPLPWBNLSA-N -2 3 333.373 0.779 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1C[C@H]1C1CC1 ZINC000823284045 587714190 /nfs/dbraw/zinc/71/41/90/587714190.db2.gz AMNXOYLWESGRHU-STQMWFEESA-N -2 3 347.400 0.859 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1C[C@H]1C1CC1 ZINC000823284045 587714191 /nfs/dbraw/zinc/71/41/91/587714191.db2.gz AMNXOYLWESGRHU-STQMWFEESA-N -2 3 347.400 0.859 20 0 ECADHL O=S(=O)([N-][C@H]1CCCOC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823573030 587731179 /nfs/dbraw/zinc/73/11/79/587731179.db2.gz QLYNDAXELSMZCI-QMMMGPOBSA-N -2 3 345.331 0.602 20 0 ECADHL O=S(=O)([N-][C@H]1CCCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573030 587731181 /nfs/dbraw/zinc/73/11/81/587731181.db2.gz QLYNDAXELSMZCI-QMMMGPOBSA-N -2 3 345.331 0.602 20 0 ECADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cncc(F)c1 ZINC000823589040 587732795 /nfs/dbraw/zinc/73/27/95/587732795.db2.gz JJOAYWGTBJUQJC-UHFFFAOYSA-N -2 3 327.326 0.658 20 0 ECADHL CC(C)(CNC(=O)[O-])NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000823996983 587847546 /nfs/dbraw/zinc/84/75/46/587847546.db2.gz HKEKAOGVHXIJCF-INIZCTEOSA-N -2 3 348.359 0.517 20 0 ECADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)cc1 ZINC000824029219 587849593 /nfs/dbraw/zinc/84/95/93/587849593.db2.gz HZIHJDYWKLZLHS-UHFFFAOYSA-N -2 3 347.360 0.902 20 0 ECADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824052595 587851724 /nfs/dbraw/zinc/85/17/24/587851724.db2.gz PVKOHVMMVLWPEF-QMMMGPOBSA-N -2 3 325.350 0.101 20 0 ECADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824052595 587851726 /nfs/dbraw/zinc/85/17/26/587851726.db2.gz PVKOHVMMVLWPEF-QMMMGPOBSA-N -2 3 325.350 0.101 20 0 ECADHL CC(C)c1[n-]n(C)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824215921 587861428 /nfs/dbraw/zinc/86/14/28/587861428.db2.gz NZGUVFRWNAFPKX-LLVKDONJSA-N -2 3 327.348 0.905 20 0 ECADHL CC(C)c1[n-]n(C)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824215921 587861429 /nfs/dbraw/zinc/86/14/29/587861429.db2.gz NZGUVFRWNAFPKX-LLVKDONJSA-N -2 3 327.348 0.905 20 0 ECADHL C[C@@H](Sc1nncn1C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000824761924 587892729 /nfs/dbraw/zinc/89/27/29/587892729.db2.gz DARLZKVPPKLVFM-SSDOTTSWSA-N -2 3 346.376 0.820 20 0 ECADHL C[C@@H](CCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)NC(=O)[O-] ZINC000824802965 587894600 /nfs/dbraw/zinc/89/46/00/587894600.db2.gz PJWNMXZSNMPDNK-FVMDXXJSSA-N -2 3 348.359 0.517 20 0 ECADHL CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000825033974 587913470 /nfs/dbraw/zinc/91/34/70/587913470.db2.gz BMBZFICIHHQAHE-JTQLQIEISA-N -2 3 348.388 0.822 20 0 ECADHL CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825108690 587916820 /nfs/dbraw/zinc/91/68/20/587916820.db2.gz ZDQCLWIKRWVFNK-UHFFFAOYSA-N -2 3 326.382 0.691 20 0 ECADHL CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825108690 587916822 /nfs/dbraw/zinc/91/68/22/587916822.db2.gz ZDQCLWIKRWVFNK-UHFFFAOYSA-N -2 3 326.382 0.691 20 0 ECADHL C/C(=C\COC(=O)C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000825765514 587960056 /nfs/dbraw/zinc/96/00/56/587960056.db2.gz RCJMUIQLEMCTMP-RMKNXTFCSA-N -2 3 331.321 0.678 20 0 ECADHL COC[C@](C)(CC(=O)[O-])NC(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826148593 587999115 /nfs/dbraw/zinc/99/91/15/587999115.db2.gz LYLFEGKPIXFMAA-HNNXBMFYSA-N -2 3 349.347 0.242 20 0 ECADHL COC[C@](C)(CC(=O)[O-])NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826148593 587999116 /nfs/dbraw/zinc/99/91/16/587999116.db2.gz LYLFEGKPIXFMAA-HNNXBMFYSA-N -2 3 349.347 0.242 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000826249751 588015945 /nfs/dbraw/zinc/01/59/45/588015945.db2.gz SLCOZHIZCAHHTR-JTQLQIEISA-N -2 3 337.361 0.024 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000826249751 588015946 /nfs/dbraw/zinc/01/59/46/588015946.db2.gz SLCOZHIZCAHHTR-JTQLQIEISA-N -2 3 337.361 0.024 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000826249869 588016175 /nfs/dbraw/zinc/01/61/75/588016175.db2.gz YXBSQSRFNDPKDA-UHFFFAOYSA-N -2 3 347.360 0.027 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000826249869 588016177 /nfs/dbraw/zinc/01/61/77/588016177.db2.gz YXBSQSRFNDPKDA-UHFFFAOYSA-N -2 3 347.360 0.027 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC000826279020 588019624 /nfs/dbraw/zinc/01/96/24/588019624.db2.gz BWJZOBHXZZXNDD-QMMMGPOBSA-N -2 3 325.350 0.317 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC000826279020 588019626 /nfs/dbraw/zinc/01/96/26/588019626.db2.gz BWJZOBHXZZXNDD-QMMMGPOBSA-N -2 3 325.350 0.317 20 0 ECADHL O=S(=O)([N-]CC1(O)CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826490315 588060908 /nfs/dbraw/zinc/06/09/08/588060908.db2.gz QLNGCKKLEJABIT-UHFFFAOYSA-N -2 3 345.331 0.338 20 0 ECADHL O=S(=O)([N-]CC1(O)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490315 588060910 /nfs/dbraw/zinc/06/09/10/588060910.db2.gz QLNGCKKLEJABIT-UHFFFAOYSA-N -2 3 345.331 0.338 20 0 ECADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cccc2nonc21 ZINC000826492532 588062085 /nfs/dbraw/zinc/06/20/85/588062085.db2.gz PLNKMPHVIKOTIT-UHFFFAOYSA-N -2 3 344.316 0.599 20 0 ECADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc2nonc21 ZINC000826492532 588062087 /nfs/dbraw/zinc/06/20/87/588062087.db2.gz PLNKMPHVIKOTIT-UHFFFAOYSA-N -2 3 344.316 0.599 20 0 ECADHL O=C([O-])[C@@H](NC(=O)c1nnc2ccccc2c1[O-])C1CCOCC1 ZINC000826560622 588070341 /nfs/dbraw/zinc/07/03/41/588070341.db2.gz URBGCGSSVRUMLO-LBPRGKRZSA-N -2 3 331.328 0.945 20 0 ECADHL CCCN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)C1CCN(C(=O)[O-])CC1 ZINC000826858354 588087229 /nfs/dbraw/zinc/08/72/29/588087229.db2.gz MSUYESPLBZDYPT-NSHDSACASA-N -2 3 340.380 0.356 20 0 ECADHL CC(C)[C@@H]([N-]S(=O)(=O)N(C)CCC(=O)[O-])C(=O)OC(C)(C)C ZINC000827077183 588098385 /nfs/dbraw/zinc/09/83/85/588098385.db2.gz SDCFTHDUZIGVQE-LLVKDONJSA-N -2 3 338.426 0.594 20 0 ECADHL CCN(CCCNC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC000827130260 588101038 /nfs/dbraw/zinc/10/10/38/588101038.db2.gz UBQIBMFAFBEPJJ-UHFFFAOYSA-N -2 3 347.393 0.616 20 0 ECADHL CN(C(=O)[O-])[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000827859032 588144397 /nfs/dbraw/zinc/14/43/97/588144397.db2.gz VHZZCUYWARHGJN-SECBINFHSA-N -2 3 332.316 0.786 20 0 ECADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(=O)N1c1ccccc1 ZINC000828183388 588164045 /nfs/dbraw/zinc/16/40/45/588164045.db2.gz HGEIQCOJUOXKLW-YPMHNXCESA-N -2 3 340.401 0.965 20 0 ECADHL C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C[C@@H]1C(=O)[O-] ZINC000828392870 588176168 /nfs/dbraw/zinc/17/61/68/588176168.db2.gz DOPPWUOEIWJGMT-CIBPLQMKSA-N -2 3 345.355 0.534 20 0 ECADHL CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000828562744 588190277 /nfs/dbraw/zinc/19/02/77/588190277.db2.gz RTFNMKGWZOQKDC-JTQLQIEISA-N -2 3 344.364 0.813 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)NC(=O)[O-])c(C)o1 ZINC000828578512 588190930 /nfs/dbraw/zinc/19/09/30/588190930.db2.gz BGAIMESRLNRNHT-SSDOTTSWSA-N 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/nfs/dbraw/zinc/67/68/80/579676880.db2.gz AYAXUYRJSBVUGF-ONGXEEELSA-N -2 3 341.270 0.195 20 0 ECADHL CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)OCc1nc2c(cnn2C)c(=O)[n-]1 ZINC000739238425 579677148 /nfs/dbraw/zinc/67/71/48/579677148.db2.gz VZSVIEQDNIKYBK-GMSGAONNSA-N -2 3 337.336 0.794 20 0 ECADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)Cc1cccc(F)c1 ZINC000739501453 579691562 /nfs/dbraw/zinc/69/15/62/579691562.db2.gz IVJACFWEIAMIMU-SNVBAGLBSA-N -2 3 327.337 0.771 20 0 ECADHL Cc1ccc(-n2[n-]c(C(=O)N(CCN(C)C)CC(=O)[O-])cc2=O)cc1 ZINC000740103817 579729666 /nfs/dbraw/zinc/72/96/66/579729666.db2.gz XIIGYXNCAIJKPH-UHFFFAOYSA-N -2 3 346.387 0.562 20 0 ECADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCN1C(=O)[O-] ZINC000740247294 579734244 /nfs/dbraw/zinc/73/42/44/579734244.db2.gz WQELAYQXBNZKEY-QMMMGPOBSA-N -2 3 336.801 0.803 20 0 ECADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCNC(=O)[O-] ZINC000740275966 579735400 /nfs/dbraw/zinc/73/54/00/579735400.db2.gz JOCXWQMQHUDZLE-UHFFFAOYSA-N -2 3 333.348 0.939 20 0 ECADHL Cn1ncc2c1nc(COC(=O)[C@H]1CCCCN1C(=O)[O-])[n-]c2=O ZINC000740297340 579736509 /nfs/dbraw/zinc/73/65/09/579736509.db2.gz MVLMQMIYQLBRLI-SECBINFHSA-N -2 3 335.320 0.645 20 0 ECADHL O=C([O-])N1CCC[C@H]1CNC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000740376737 579743322 /nfs/dbraw/zinc/74/33/22/579743322.db2.gz SVICKBMORLKILM-VIFPVBQESA-N -2 3 347.418 0.285 20 0 ECADHL O=C([O-])Nc1ccc(CC(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000740702229 579759817 /nfs/dbraw/zinc/75/98/17/579759817.db2.gz VXYRIZNHZNXSAJ-OAHLLOKOSA-N -2 3 332.316 0.130 20 0 ECADHL O=C([O-])N1CCN(C(=O)CN2CC(=O)[N-]C2=O)c2ccccc2C1 ZINC000740732345 579760966 /nfs/dbraw/zinc/76/09/66/579760966.db2.gz XCEFTJUKJWJICL-UHFFFAOYSA-N -2 3 332.316 0.065 20 0 ECADHL O=C([O-])NCCCC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000834229534 588891142 /nfs/dbraw/zinc/89/11/42/588891142.db2.gz LQYQPNYLLVYPQR-UHFFFAOYSA-N -2 3 335.407 0.190 20 0 ECADHL O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000834248060 588891940 /nfs/dbraw/zinc/89/19/40/588891940.db2.gz XQNOEGAGBIVVOB-NSHDSACASA-N -2 3 346.343 0.332 20 0 ECADHL COc1ccc([C@@H](NC(=O)c2cn(C)c(=O)[n-]c2=O)C(=O)[O-])cc1 ZINC000737964458 586060980 /nfs/dbraw/zinc/06/09/80/586060980.db2.gz LHNJWRYCCGMGBA-LLVKDONJSA-N -2 3 333.300 0.050 20 0 ECADHL C[C@@H](C(=O)NCc1nc([O-])cc(=O)[n-]1)N1CCc2ccccc2C1 ZINC000898751201 586447990 /nfs/dbraw/zinc/44/79/90/586447990.db2.gz KPXZNZYIYFZLBZ-NSHDSACASA-N -2 3 328.372 0.951 20 0 ECADHL CC[C@@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838912195 586828622 /nfs/dbraw/zinc/82/86/22/586828622.db2.gz GNRRXXMOJQVUOG-PELKAZGASA-N -2 3 326.378 0.824 20 0 ECADHL O=C(c1cc2n[n-]nc2cc1F)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000843875905 589082743 /nfs/dbraw/zinc/08/27/43/589082743.db2.gz VEUQDGPYVXYVGM-UHFFFAOYSA-N -2 3 331.311 0.941 20 0 ECADHL Cn1nncc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000808564074 587156709 /nfs/dbraw/zinc/15/67/09/587156709.db2.gz DVFSTMYGUDLWBV-UHFFFAOYSA-N -2 3 349.369 0.127 20 0 ECADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cnn(CC2CC2)c1)C(F)F ZINC000809226822 587172310 /nfs/dbraw/zinc/17/23/10/587172310.db2.gz LFTGVVGYKQEXJK-SECBINFHSA-N -2 3 337.348 0.927 20 0 ECADHL CN(C)CCN(CC(=O)[O-])C(=O)CSc1n[n-]c(=S)s1 ZINC000818378370 587428574 /nfs/dbraw/zinc/42/85/74/587428574.db2.gz QEVQNEBFMLHPFX-UHFFFAOYSA-N -2 3 336.464 0.394 20 0 ECADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCCOC2)c1 ZINC000819107866 587469037 /nfs/dbraw/zinc/46/90/37/587469037.db2.gz PWUCZTRKUCEVRJ-CYBMUJFWSA-N -2 3 331.394 0.766 20 0 ECADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820676739 587549146 /nfs/dbraw/zinc/54/91/46/587549146.db2.gz NZHGOXXKTVJTFF-LDYMZIIASA-N -2 3 337.361 0.239 20 0 ECADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820676739 587549147 /nfs/dbraw/zinc/54/91/47/587549147.db2.gz NZHGOXXKTVJTFF-LDYMZIIASA-N -2 3 337.361 0.239 20 0 ECADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820677528 587549842 /nfs/dbraw/zinc/54/98/42/587549842.db2.gz QVENDGIVFKWVPA-KWQFWETISA-N -2 3 337.361 0.239 20 0 ECADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820677528 587549844 /nfs/dbraw/zinc/54/98/44/587549844.db2.gz QVENDGIVFKWVPA-KWQFWETISA-N -2 3 337.361 0.239 20 0 ECADHL Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000821588797 587603105 /nfs/dbraw/zinc/60/31/05/587603105.db2.gz JGTCYDSDHYJVIY-UHFFFAOYSA-N -2 3 335.345 0.610 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956169 587638725 /nfs/dbraw/zinc/63/87/25/587638725.db2.gz IPZMEJNXCCQDTM-SREVYHEPSA-N -2 3 325.375 0.548 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956169 587638727 /nfs/dbraw/zinc/63/87/27/587638727.db2.gz IPZMEJNXCCQDTM-SREVYHEPSA-N -2 3 325.375 0.548 20 0 ECADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000822978631 587693857 /nfs/dbraw/zinc/69/38/57/587693857.db2.gz OOWKFTJIPPDVRK-UHFFFAOYSA-N -2 3 342.363 0.372 20 0 ECADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000822978631 587693858 /nfs/dbraw/zinc/69/38/58/587693858.db2.gz OOWKFTJIPPDVRK-UHFFFAOYSA-N -2 3 342.363 0.372 20 0 ECADHL O=C([O-])CCCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000823387551 587719241 /nfs/dbraw/zinc/71/92/41/587719241.db2.gz ONXCXRQFUJRLGQ-UHFFFAOYSA-N -2 3 325.350 0.400 20 0 ECADHL O=C([O-])CCCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000823387551 587719242 /nfs/dbraw/zinc/71/92/42/587719242.db2.gz ONXCXRQFUJRLGQ-UHFFFAOYSA-N -2 3 325.350 0.400 20 0 ECADHL O=c1[n-]c(CCCNc2c(-c3nnn[n-]3)cnc3ccccc32)n[nH]1 ZINC000823664616 587736841 /nfs/dbraw/zinc/73/68/41/587736841.db2.gz BGOHBECCUZECSZ-UHFFFAOYSA-N -2 3 337.347 0.705 20 0 ECADHL O=c1[n-]c(CCCNc2c(-c3nn[n-]n3)cnc3ccccc32)n[nH]1 ZINC000823664616 587736842 /nfs/dbraw/zinc/73/68/42/587736842.db2.gz BGOHBECCUZECSZ-UHFFFAOYSA-N -2 3 337.347 0.705 20 0 ECADHL CC(C)[C@@H](CCN(C)C(=O)CC[C@H]1NC(=O)[N-]C1=O)NC(=O)[O-] ZINC000824079769 587853669 /nfs/dbraw/zinc/85/36/69/587853669.db2.gz UUPCIFKEWCBXHK-NXEZZACHSA-N -2 3 328.369 0.115 20 0 ECADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824200678 587860600 /nfs/dbraw/zinc/86/06/00/587860600.db2.gz RTVBBXCXVPQHKA-SNVBAGLBSA-N -2 3 343.340 0.393 20 0 ECADHL C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824698746 587888165 /nfs/dbraw/zinc/88/81/65/587888165.db2.gz NYZMOFOVGXCYIJ-RQJHMYQMSA-N -2 3 347.347 0.583 20 0 ECADHL C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824698746 587888166 /nfs/dbraw/zinc/88/81/66/587888166.db2.gz NYZMOFOVGXCYIJ-RQJHMYQMSA-N -2 3 347.347 0.583 20 0 ECADHL C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000824731396 587890630 /nfs/dbraw/zinc/89/06/30/587890630.db2.gz VOMQAKYKVQAXEI-QFYYESIMSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000824731396 587890631 /nfs/dbraw/zinc/89/06/31/587890631.db2.gz VOMQAKYKVQAXEI-QFYYESIMSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCO1 ZINC000825335486 587933145 /nfs/dbraw/zinc/93/31/45/587933145.db2.gz NWTPXLCKFBEOKB-PRHODGIISA-N -2 3 347.327 0.067 20 0 ECADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826301632 588021174 /nfs/dbraw/zinc/02/11/74/588021174.db2.gz KWLFLEFKPBHZHS-UHFFFAOYSA-N -2 3 332.345 0.622 20 0 ECADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826301632 588021175 /nfs/dbraw/zinc/02/11/75/588021175.db2.gz KWLFLEFKPBHZHS-UHFFFAOYSA-N -2 3 332.345 0.622 20 0 ECADHL Cc1cccc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])c1-c1nnn[n-]1 ZINC000826302442 588021879 /nfs/dbraw/zinc/02/18/79/588021879.db2.gz JSGOZYZFYBNZHQ-QMMMGPOBSA-N -2 3 325.350 0.317 20 0 ECADHL Cc1cccc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])c1-c1nn[n-]n1 ZINC000826302442 588021881 /nfs/dbraw/zinc/02/18/81/588021881.db2.gz JSGOZYZFYBNZHQ-QMMMGPOBSA-N -2 3 325.350 0.317 20 0 ECADHL Cc1onc(CC(=O)NCc2ccc([O-])c(F)c2)c1-c1nnn[n-]1 ZINC000826347806 588031033 /nfs/dbraw/zinc/03/10/33/588031033.db2.gz HAGCXLQTNUNUSO-UHFFFAOYSA-N -2 3 332.295 0.867 20 0 ECADHL NC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])C1 ZINC000826392263 588039591 /nfs/dbraw/zinc/03/95/91/588039591.db2.gz SCFDLKFHUSERAC-VIFPVBQESA-N -2 3 331.336 0.302 20 0 ECADHL O=C(Cc1nc2ncccn2n1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826424092 588046666 /nfs/dbraw/zinc/04/66/66/588046666.db2.gz VMHGBVUPNPXXJW-UHFFFAOYSA-N -2 3 337.303 0.191 20 0 ECADHL O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449794 588052644 /nfs/dbraw/zinc/05/26/44/588052644.db2.gz KCCKAZBOJMZKKH-HJWRWDBZSA-N -2 3 344.356 0.925 20 0 ECADHL O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449794 588052645 /nfs/dbraw/zinc/05/26/45/588052645.db2.gz KCCKAZBOJMZKKH-HJWRWDBZSA-N -2 3 344.356 0.925 20 0 ECADHL O=C([O-])C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000826461330 588054164 /nfs/dbraw/zinc/05/41/64/588054164.db2.gz PVULHDKFNHZDSV-UHFFFAOYSA-N -2 3 337.361 0.542 20 0 ECADHL 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Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)[N-]OCC1CC1 ZINC000817368082 587339830 /nfs/dbraw/zinc/33/98/30/587339830.db2.gz PXOBIRLIBWAEJN-UHFFFAOYSA-N -2 3 336.392 0.718 20 0 ECADHL NC(=O)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000817573742 587343774 /nfs/dbraw/zinc/34/37/74/587343774.db2.gz QBPQCUAIAFUXMB-UHFFFAOYSA-N -2 3 330.337 0.458 20 0 ECADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)[C@H]1CCCOC1 ZINC000819105804 587468817 /nfs/dbraw/zinc/46/88/17/587468817.db2.gz PIBRYJKHAXKMTO-GXFFZTMASA-N -2 3 343.405 0.378 20 0 ECADHL CC(C)CCS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820076159 587507276 /nfs/dbraw/zinc/50/72/76/587507276.db2.gz DHFYKDMCKHXYJJ-UHFFFAOYSA-N -2 3 326.382 0.311 20 0 ECADHL CC(C)CCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820076159 587507277 /nfs/dbraw/zinc/50/72/77/587507277.db2.gz DHFYKDMCKHXYJJ-UHFFFAOYSA-N -2 3 326.382 0.311 20 0 ECADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000820543288 587540881 /nfs/dbraw/zinc/54/08/81/587540881.db2.gz XRICUMIRQKZWPG-UFBFGSQYSA-N -2 3 331.332 0.613 20 0 ECADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000820543288 587540882 /nfs/dbraw/zinc/54/08/82/587540882.db2.gz XRICUMIRQKZWPG-UFBFGSQYSA-N -2 3 331.332 0.613 20 0 ECADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000821590133 587602850 /nfs/dbraw/zinc/60/28/50/587602850.db2.gz LQXUGRCKYWIMKO-UHFFFAOYSA-N -2 3 331.357 0.791 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)c1cn2ccccc2n1 ZINC000821588739 587602856 /nfs/dbraw/zinc/60/28/56/587602856.db2.gz GXVJQCFUZIRGJC-UHFFFAOYSA-N -2 3 342.340 0.724 20 0 ECADHL COCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821685444 587621593 /nfs/dbraw/zinc/62/15/93/587621593.db2.gz CZLNUEFAHFBKGN-SSDOTTSWSA-N -2 3 347.347 0.848 20 0 ECADHL COCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821685444 587621595 /nfs/dbraw/zinc/62/15/95/587621595.db2.gz CZLNUEFAHFBKGN-SSDOTTSWSA-N -2 3 347.347 0.848 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC(C)(C)CC(=O)[O-] ZINC000821700529 587625465 /nfs/dbraw/zinc/62/54/65/587625465.db2.gz QWRBJCQSHWWYFQ-UHFFFAOYSA-N -2 3 349.347 0.624 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC(C)(C)CC(=O)[O-] ZINC000821700529 587625466 /nfs/dbraw/zinc/62/54/66/587625466.db2.gz QWRBJCQSHWWYFQ-UHFFFAOYSA-N -2 3 349.347 0.624 20 0 ECADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822370150 587656184 /nfs/dbraw/zinc/65/61/84/587656184.db2.gz ROAJSXILGGYWIH-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822370150 587656185 /nfs/dbraw/zinc/65/61/85/587656185.db2.gz ROAJSXILGGYWIH-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL O=C([N-]S(=O)(=O)CC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823285298 587714505 /nfs/dbraw/zinc/71/45/05/587714505.db2.gz POMFADFPQKOKKB-UHFFFAOYSA-N -2 3 341.296 0.550 20 0 ECADHL C[C@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)CC(=O)[O-] ZINC000824419660 587873287 /nfs/dbraw/zinc/87/32/87/587873287.db2.gz BIXGWSGADHQZOF-UWVGGRQHSA-N -2 3 333.348 0.861 20 0 ECADHL C[C@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)CC(=O)[O-] ZINC000824419660 587873288 /nfs/dbraw/zinc/87/32/88/587873288.db2.gz BIXGWSGADHQZOF-UWVGGRQHSA-N -2 3 333.348 0.861 20 0 ECADHL C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824432855 587873941 /nfs/dbraw/zinc/87/39/41/587873941.db2.gz AIFGONGMYGTKRP-BQBZGAKWSA-N -2 3 347.347 0.440 20 0 ECADHL C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824432855 587873942 /nfs/dbraw/zinc/87/39/42/587873942.db2.gz AIFGONGMYGTKRP-BQBZGAKWSA-N -2 3 347.347 0.440 20 0 ECADHL C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000824727596 587890416 /nfs/dbraw/zinc/89/04/16/587890416.db2.gz BYDWOYSTOOAIAJ-JTQLQIEISA-N -2 3 345.359 0.957 20 0 ECADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000824727596 587890418 /nfs/dbraw/zinc/89/04/18/587890418.db2.gz BYDWOYSTOOAIAJ-JTQLQIEISA-N -2 3 345.359 0.957 20 0 ECADHL C[C@H](NC(=O)[O-])c1ccc(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000825377690 587936648 /nfs/dbraw/zinc/93/66/48/587936648.db2.gz IYBKWWVWNPNFHD-CABZTGNLSA-N -2 3 348.359 0.620 20 0 ECADHL COCCn1[n-]c(C)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000826159497 588001755 /nfs/dbraw/zinc/00/17/55/588001755.db2.gz IFXVYGQZIIDCKN-GFCCVEGCSA-N -2 3 343.347 0.286 20 0 ECADHL COCCn1[n-]c(C)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000826159497 588001756 /nfs/dbraw/zinc/00/17/56/588001756.db2.gz IFXVYGQZIIDCKN-GFCCVEGCSA-N -2 3 343.347 0.286 20 0 ECADHL Cc1cccc(S(=O)(=O)N(C)CCCC(=O)[O-])c1-c1nnn[n-]1 ZINC000826300876 588020926 /nfs/dbraw/zinc/02/09/26/588020926.db2.gz JWVSTSAJHPPKCQ-UHFFFAOYSA-N -2 3 339.377 0.660 20 0 ECADHL Cc1cccc(S(=O)(=O)N(C)CCCC(=O)[O-])c1-c1nn[n-]n1 ZINC000826300876 588020928 /nfs/dbraw/zinc/02/09/28/588020928.db2.gz JWVSTSAJHPPKCQ-UHFFFAOYSA-N -2 3 339.377 0.660 20 0 ECADHL Cn1[n-]nnc1=NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826367216 588035854 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O=S(=O)([N-][C@@H]1CCOC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826487839 588060210 /nfs/dbraw/zinc/06/02/10/588060210.db2.gz BFPFDMMWGMBNLT-SSDOTTSWSA-N -2 3 331.304 0.212 20 0 ECADHL O=S(=O)([N-][C@@H]1CCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487839 588060212 /nfs/dbraw/zinc/06/02/12/588060212.db2.gz BFPFDMMWGMBNLT-SSDOTTSWSA-N -2 3 331.304 0.212 20 0 ECADHL CCN(CCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-] ZINC000827150196 588102026 /nfs/dbraw/zinc/10/20/26/588102026.db2.gz AXWIPOVZALUPLS-INIZCTEOSA-N -2 3 348.359 0.471 20 0 ECADHL CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c([O-])c1 ZINC000827343970 588113651 /nfs/dbraw/zinc/11/36/51/588113651.db2.gz RZKUQIDLFWJNRJ-LBPRGKRZSA-N -2 3 338.316 0.886 20 0 ECADHL CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000827406235 588119039 /nfs/dbraw/zinc/11/90/39/588119039.db2.gz ZGMDFAPUGVYUHS-UHFFFAOYSA-N -2 3 345.377 0.671 20 0 ECADHL C[C@H](CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N(C)C)C(=O)[O-] ZINC000827552502 588127389 /nfs/dbraw/zinc/12/73/89/588127389.db2.gz JICZVWCWKKVUQR-DGCLKSJQSA-N -2 3 342.417 0.326 20 0 ECADHL CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827937905 588147814 /nfs/dbraw/zinc/14/78/14/588147814.db2.gz CQQRKHYWSLUXHW-LBPRGKRZSA-N -2 3 341.389 0.882 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)CNC(=O)[O-])c(C)o1 ZINC000828579081 588191196 /nfs/dbraw/zinc/19/11/96/588191196.db2.gz IARZYKANTFKOLX-UHFFFAOYSA-N -2 3 333.366 0.272 20 0 ECADHL COC(=O)c1nscc1S(=O)(=O)[N-]CC[C@@H](C)NC(=O)[O-] ZINC000828809255 588205177 /nfs/dbraw/zinc/20/51/77/588205177.db2.gz BDBOGEPJIDWKLE-ZCFIWIBFSA-N -2 3 337.379 0.254 20 0 ECADHL COc1ccsc1S(=O)(=O)[N-]CCN1CCN(C(=O)[O-])CC1 ZINC000829655086 588333494 /nfs/dbraw/zinc/33/34/94/588333494.db2.gz PUWHFDADRMHAIX-UHFFFAOYSA-N -2 3 349.434 0.331 20 0 ECADHL CS(=O)(=O)[N-]c1cc(NC(=O)C2(NC(=O)[O-])CC2)ccc1F ZINC000829691707 588336291 /nfs/dbraw/zinc/33/62/91/588336291.db2.gz PTUIFFYGXOAZIW-UHFFFAOYSA-N -2 3 331.325 0.936 20 0 ECADHL CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000829794881 588342281 /nfs/dbraw/zinc/34/22/81/588342281.db2.gz MAPPGDHQTXRUQR-MRVPVSSYSA-N -2 3 331.350 0.060 20 0 ECADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000830794839 588386309 /nfs/dbraw/zinc/38/63/09/588386309.db2.gz CTVPWROTYTVUPZ-CYBMUJFWSA-N -2 3 331.294 0.999 20 0 ECADHL COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c1 ZINC000831363181 588422848 /nfs/dbraw/zinc/42/28/48/588422848.db2.gz BHUGRMWGVLQDHW-UHFFFAOYSA-N -2 3 348.271 0.207 20 0 ECADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000831584978 588435562 /nfs/dbraw/zinc/43/55/62/588435562.db2.gz JNCFFWBUWBOBFM-ZDUSSCGKSA-N -2 3 349.361 0.533 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCn1cc(C)cn1 ZINC000831939887 588457857 /nfs/dbraw/zinc/45/78/57/588457857.db2.gz XIMSBABTFJZEPX-UHFFFAOYSA-N -2 3 345.402 0.938 20 0 ECADHL O=C([O-])N[C@H]1CC[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000832270163 588477215 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0.574 20 0 ECADHL C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@H](C(=O)[O-])O1 ZINC000347491765 437899273 /nfs/dbraw/zinc/89/92/73/437899273.db2.gz GNLSZDLXBJCEBD-JOYOIKCWSA-N -2 3 342.373 0.372 20 0 ECADHL CS(=O)(=O)Cc1noc(=NC(=O)c2cc(-c3ccco3)n[n-]2)[n-]1 ZINC000342477280 438016843 /nfs/dbraw/zinc/01/68/43/438016843.db2.gz QVBYBLJZJNLJCO-UHFFFAOYSA-N -2 3 337.317 0.272 20 0 ECADHL CS(=O)(=O)Cc1noc(=NC(=O)c2cc(-c3ccco3)[n-]n2)[n-]1 ZINC000342477280 438016847 /nfs/dbraw/zinc/01/68/47/438016847.db2.gz QVBYBLJZJNLJCO-UHFFFAOYSA-N -2 3 337.317 0.272 20 0 ECADHL CCC[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1nnn[n-]1 ZINC000348536578 438070051 /nfs/dbraw/zinc/07/00/51/438070051.db2.gz CGAMNYCLGDBSHS-JTQLQIEISA-N -2 3 339.381 0.237 20 0 ECADHL CCC[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1nn[n-]n1 ZINC000348536578 438070056 /nfs/dbraw/zinc/07/00/56/438070056.db2.gz CGAMNYCLGDBSHS-JTQLQIEISA-N -2 3 339.381 0.237 20 0 ECADHL C[C@@H](C(=O)Nc1ccncc1[O-])[C@@H](C)C(=O)Nc1ccncc1[O-] ZINC000358583790 438259819 /nfs/dbraw/zinc/25/98/19/438259819.db2.gz CXCGCEMMYIKDHZ-NXEZZACHSA-N -2 3 330.344 0.581 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000358579897 438260704 /nfs/dbraw/zinc/26/07/04/438260704.db2.gz NSSZQCVXZBBNEC-UHFFFAOYSA-N -2 3 348.344 0.620 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000358579897 438260710 /nfs/dbraw/zinc/26/07/10/438260710.db2.gz NSSZQCVXZBBNEC-UHFFFAOYSA-N -2 3 348.344 0.620 20 0 ECADHL Cc1nc(C[N-]S(=O)(=O)c2c(C)nn(C)c2C)sc1C(=O)[O-] ZINC000387333543 438423314 /nfs/dbraw/zinc/42/33/14/438423314.db2.gz VEKNAWAQTVDNJN-UHFFFAOYSA-N -2 3 344.418 0.979 20 0 ECADHL NC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000421812330 438500763 /nfs/dbraw/zinc/50/07/63/438500763.db2.gz BWIJIUZEGQBDLL-SCZZXKLOSA-N -2 3 330.337 0.456 20 0 ECADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCO1 ZINC000576872854 438802887 /nfs/dbraw/zinc/80/28/87/438802887.db2.gz UPZBINGYEIRVQF-SECBINFHSA-N -2 3 333.337 0.990 20 0 ECADHL O=C([O-])c1cnc(N2CCN(c3nc4nncc-4c(O)[n-]3)CC2)s1 ZINC000565039968 438906276 /nfs/dbraw/zinc/90/62/76/438906276.db2.gz FVVUWYSGGTZTKK-UHFFFAOYSA-N -2 3 347.360 0.540 20 0 ECADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC000596034014 438915392 /nfs/dbraw/zinc/91/53/92/438915392.db2.gz HELNDDVSIMTZLZ-SECBINFHSA-N -2 3 343.361 0.214 20 0 ECADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC000596034014 438915397 /nfs/dbraw/zinc/91/53/97/438915397.db2.gz HELNDDVSIMTZLZ-SECBINFHSA-N -2 3 343.361 0.214 20 0 ECADHL C[C@@]1(c2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2)NC(=O)[N-]C1=O ZINC000566035286 438998916 /nfs/dbraw/zinc/99/89/16/438998916.db2.gz DCWOMHLDWSDOEJ-ZDUSSCGKSA-N -2 3 335.345 0.265 20 0 ECADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2nc3c(s2)CCC3)s1 ZINC000566726815 439084493 /nfs/dbraw/zinc/08/44/93/439084493.db2.gz BUUSFGDKUNKNBT-UHFFFAOYSA-N -2 3 345.431 1.107 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H](C(=O)[O-])C(C)C)s1 ZINC000581075448 439168109 /nfs/dbraw/zinc/16/81/09/439168109.db2.gz WWMXZECFRRHRAC-SNVBAGLBSA-N -2 3 334.419 0.629 20 0 ECADHL COC[C@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccc(C)o1 ZINC000581605494 439232784 /nfs/dbraw/zinc/23/27/84/439232784.db2.gz HJIQJFURPWKZRE-LBPRGKRZSA-N -2 3 346.405 0.907 20 0 ECADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccn(C)n2)sc1C(=O)[O-] ZINC000581882055 439261261 /nfs/dbraw/zinc/26/12/61/439261261.db2.gz BCQUCQOZJPRRQU-SSDOTTSWSA-N -2 3 330.391 0.923 20 0 ECADHL [O-]c1cccnc1CN1CCN(Cc2ncccc2[O-])[C@@H](CCO)C1 ZINC000568650263 439265686 /nfs/dbraw/zinc/26/56/86/439265686.db2.gz SHCYAYYCMPXCSA-AWEZNQCLSA-N -2 3 344.415 0.957 20 0 ECADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)s1 ZINC000593274552 439360599 /nfs/dbraw/zinc/36/05/99/439360599.db2.gz TWFXCMLRRBQWOH-QMMMGPOBSA-N -2 3 347.414 0.995 20 0 ECADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC)cc1F ZINC000574145261 439685293 /nfs/dbraw/zinc/68/52/93/439685293.db2.gz JUXVVNOLTAKUOB-MRVPVSSYSA-N -2 3 349.336 0.380 20 0 ECADHL O=C([O-])C1(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CCC1 ZINC000663097375 440010168 /nfs/dbraw/zinc/01/01/68/440010168.db2.gz BGPPHLLJZOLSFM-UHFFFAOYSA-N -2 3 332.356 0.932 20 0 ECADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)cn1 ZINC000663293455 440051881 /nfs/dbraw/zinc/05/18/81/440051881.db2.gz HJDPXIWPHUEPJB-SSDOTTSWSA-N -2 3 329.300 0.742 20 0 ECADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000618448407 440122737 /nfs/dbraw/zinc/12/27/37/440122737.db2.gz SYQOJFJHUPCCEM-VIFPVBQESA-N -2 3 347.393 0.608 20 0 ECADHL Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C2 ZINC000653486087 440191699 /nfs/dbraw/zinc/19/16/99/440191699.db2.gz KSLWFPQQDKAEKG-MRVPVSSYSA-N -2 3 342.402 0.411 20 0 ECADHL C[C@]1(c2cccc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000659248848 440279672 /nfs/dbraw/zinc/27/96/72/440279672.db2.gz NXFGMUTWTUCTIS-XWCIJXRUSA-N -2 3 345.355 0.724 20 0 ECADHL CCN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H](C)C(=O)[O-] ZINC000659770551 440497307 /nfs/dbraw/zinc/49/73/07/440497307.db2.gz GSLVIOVWPYQNLC-FVMDXXJSSA-N -2 3 333.344 0.676 20 0 ECADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629339794 440670607 /nfs/dbraw/zinc/67/06/07/440670607.db2.gz VRXWYRWBTKRJFV-MNOVXSKESA-N -2 3 332.378 0.840 20 0 ECADHL COC[C@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)[O-] ZINC000630414329 440899483 /nfs/dbraw/zinc/89/94/83/440899483.db2.gz ZXBQOYAEVMLWTI-LURJTMIESA-N -2 3 344.208 0.889 20 0 ECADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000315937096 320706727 /nfs/dbraw/zinc/70/67/27/320706727.db2.gz SADIRFCCKZOPRJ-ZDUSSCGKSA-N -2 3 328.346 0.032 20 0 ECADHL O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cncc([O-])c1 ZINC000339959072 321005840 /nfs/dbraw/zinc/00/58/40/321005840.db2.gz MOQASXPXHCWORW-UHFFFAOYSA-N -2 3 327.387 0.557 20 0 ECADHL COCCC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000343007942 321116488 /nfs/dbraw/zinc/11/64/88/321116488.db2.gz KKLXUBJDRRASRJ-UHFFFAOYSA-N -2 3 340.398 0.512 20 0 ECADHL NC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000352192999 321351706 /nfs/dbraw/zinc/35/17/06/321351706.db2.gz QXJBVQRUSFCHGH-QMMMGPOBSA-N -2 3 347.418 0.515 20 0 ECADHL COCCOCCS(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2 ZINC000361997278 321627929 /nfs/dbraw/zinc/62/79/29/321627929.db2.gz VKIBUGYXRUMZSQ-UHFFFAOYSA-N -2 3 347.345 0.518 20 0 ECADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCOC[C@@H]2CCOC2)c1 ZINC000564795563 322394073 /nfs/dbraw/zinc/39/40/73/322394073.db2.gz FUPSKDBZRSNTRE-JTQLQIEISA-N -2 3 333.362 0.699 20 0 ECADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@@H]1OC ZINC000566172276 322508597 /nfs/dbraw/zinc/50/85/97/322508597.db2.gz BBEBLRSUGAPLCJ-XSSZXYGBSA-N -2 3 336.391 0.312 20 0 ECADHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000567045981 322566910 /nfs/dbraw/zinc/56/69/10/322566910.db2.gz MRQHPCXDWHJHNQ-HMDXOVGESA-N -2 3 347.414 0.788 20 0 ECADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1ccon1)[C@H](O)Cc1ccccc1 ZINC000570125102 322676536 /nfs/dbraw/zinc/67/65/36/322676536.db2.gz AQNKRNRUVZQBQG-OLZOCXBDSA-N -2 3 340.357 0.151 20 0 ECADHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000573501709 322762778 /nfs/dbraw/zinc/76/27/78/322762778.db2.gz QCAQGAVZGQGEIX-MRVPVSSYSA-N -2 3 342.295 0.868 20 0 ECADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccnn1C ZINC000574312777 322777116 /nfs/dbraw/zinc/77/71/16/322777116.db2.gz MRMRYXGUOXELPD-SECBINFHSA-N -2 3 331.375 0.594 20 0 ECADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccn(C)n2)(C(=O)[O-])C1(C)C ZINC000575985668 322799392 /nfs/dbraw/zinc/79/93/92/322799392.db2.gz WYFLEPJVKWXFJH-RNCFNFMXSA-N -2 3 331.394 0.357 20 0 ECADHL CCOc1ccncc1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1 ZINC000579948490 322911303 /nfs/dbraw/zinc/91/13/03/322911303.db2.gz HODCQZDOEDYZKZ-CYBMUJFWSA-N -2 3 330.362 0.392 20 0 ECADHL CC[C@H](C)[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-] ZINC000262831007 535865987 /nfs/dbraw/zinc/86/59/87/535865987.db2.gz XRNJPRQQAPCPNP-WUDNQAJYSA-N -2 3 347.371 0.970 20 0 ECADHL O=c1nc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)[n-]o1 ZINC000352918067 546145619 /nfs/dbraw/zinc/14/56/19/546145619.db2.gz UKKHYGWKUKXNSX-UHFFFAOYSA-N -2 3 338.267 0.298 20 0 ECADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000656164029 547437722 /nfs/dbraw/zinc/43/77/22/547437722.db2.gz FUSMDVIPPUELAT-LURJTMIESA-N -2 3 336.272 0.351 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000673479548 548496777 /nfs/dbraw/zinc/49/67/77/548496777.db2.gz KKSPFEYNUUCMGQ-SSDOTTSWSA-N -2 3 346.390 0.162 20 0 ECADHL CC(C)(C)[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-] ZINC000675987407 548778299 /nfs/dbraw/zinc/77/82/99/548778299.db2.gz WQKQPNXAMIQTCA-PIGZYNQJSA-N -2 3 347.371 0.970 20 0 ECADHL Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000676333031 548825474 /nfs/dbraw/zinc/82/54/74/548825474.db2.gz JHSPGPZZACJIPK-GXSJLCMTSA-N -2 3 347.375 0.193 20 0 ECADHL COc1cccc(C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C(=O)[O-])c1 ZINC000681561736 549272962 /nfs/dbraw/zinc/27/29/62/549272962.db2.gz SRFJAQJGKKFULI-NSHDSACASA-N -2 3 325.346 0.393 20 0 ECADHL Cn1ccc([C@@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])n1 ZINC000683920985 549533793 /nfs/dbraw/zinc/53/37/93/549533793.db2.gz KVCOFNCBGRSNPX-LLVKDONJSA-N -2 3 343.299 0.251 20 0 ECADHL O=C(N[C@@H]1CCC[C@H]1NC(=O)c1ncccc1[O-])c1ncccc1[O-] ZINC000684843753 549630722 /nfs/dbraw/zinc/63/07/22/549630722.db2.gz AEVNUPHRHFSQKJ-GHMZBOCLSA-N -2 3 342.355 0.969 20 0 ECADHL O=C1[N-]C(=O)N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)C[C@H]12 ZINC000749025467 579332540 /nfs/dbraw/zinc/33/25/40/579332540.db2.gz NHDDHVHFPOQQGO-GFCCVEGCSA-N -2 3 329.312 0.235 20 0 ECADHL COc1cc[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC000751209430 579364463 /nfs/dbraw/zinc/36/44/63/579364463.db2.gz GEKFFSNAYGYJOD-UHFFFAOYSA-N -3 3 340.317 0.194 20 0 ECADHL CCCS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736497761 578431617 /nfs/dbraw/zinc/43/16/17/578431617.db2.gz MKRFCCTUWDUKIE-UHFFFAOYSA-N -2 3 325.350 0.102 20 0 ECADHL CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736497756 578431601 /nfs/dbraw/zinc/43/16/01/578431601.db2.gz MKGZQXUPNILVSV-SECBINFHSA-N -2 3 339.377 0.490 20 0 ECADHL CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736497756 578431602 /nfs/dbraw/zinc/43/16/02/578431602.db2.gz MKGZQXUPNILVSV-SECBINFHSA-N -2 3 339.377 0.490 20 0 ECADHL CCCS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736497761 578431616 /nfs/dbraw/zinc/43/16/16/578431616.db2.gz MKRFCCTUWDUKIE-UHFFFAOYSA-N -2 3 325.350 0.102 20 0 ECADHL C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736821768 578455085 /nfs/dbraw/zinc/45/50/85/578455085.db2.gz MJJPJRKSCHELFT-SNVBAGLBSA-N -2 3 346.380 0.523 20 0 ECADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-])s1 ZINC000787936351 578822732 /nfs/dbraw/zinc/82/27/32/578822732.db2.gz STDXQGSLYGYHEI-SSDOTTSWSA-N -2 3 335.359 0.245 20 0 ECADHL COCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(OC)c1)C(=O)[O-] ZINC000776503683 579282542 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ECADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)CC1CC1 ZINC000737928675 579585788 /nfs/dbraw/zinc/58/57/88/579585788.db2.gz ADKPWWXSIQUBBN-UHFFFAOYSA-N -2 3 337.361 0.102 20 0 ECADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)CC1CC1 ZINC000737928675 579585790 /nfs/dbraw/zinc/58/57/90/579585790.db2.gz ADKPWWXSIQUBBN-UHFFFAOYSA-N -2 3 337.361 0.102 20 0 ECADHL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738000530 579592605 /nfs/dbraw/zinc/59/26/05/579592605.db2.gz GTYQFNZQJAJOSQ-LBPRGKRZSA-N -2 3 348.330 0.294 20 0 ECADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000738216032 579612372 /nfs/dbraw/zinc/61/23/72/579612372.db2.gz VMFRTMXWMNAJDA-VIFPVBQESA-N -2 3 337.361 0.352 20 0 ECADHL O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000738216032 579612374 /nfs/dbraw/zinc/61/23/74/579612374.db2.gz VMFRTMXWMNAJDA-VIFPVBQESA-N -2 3 337.361 0.352 20 0 ECADHL C[C@H](NC(=O)[O-])C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000738992968 579660334 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3 335.408 0.899 20 0 ECADHL CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000739231939 579676970 /nfs/dbraw/zinc/67/69/70/579676970.db2.gz FFABFQYSCIHBHZ-MFKMUULPSA-N -2 3 337.376 0.921 20 0 ECADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCN(C(=O)[O-])C2)c1 ZINC000739785861 579712809 /nfs/dbraw/zinc/71/28/09/579712809.db2.gz YFUSUMUXBJEYAQ-VIFPVBQESA-N -2 3 346.336 0.643 20 0 ECADHL O=C([O-])CNC(=O)CCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000739805505 579714910 /nfs/dbraw/zinc/71/49/10/579714910.db2.gz HMMUJVISCXLDTH-UHFFFAOYSA-N -2 3 334.372 0.878 20 0 ECADHL COc1ccc(C(=O)[N-]C(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739882115 579720653 /nfs/dbraw/zinc/72/06/53/579720653.db2.gz IIOBRUIUNYHENK-LBPRGKRZSA-N -2 3 349.387 0.883 20 0 ECADHL O=C([O-])Cn1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)n1 ZINC000739919117 579722220 /nfs/dbraw/zinc/72/22/20/579722220.db2.gz GIZVJHFDPCMBSB-UHFFFAOYSA-N -2 3 329.272 0.495 20 0 ECADHL CS(=O)(=O)[N-]c1cccc(C(=O)O[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000739997871 579726441 /nfs/dbraw/zinc/72/64/41/579726441.db2.gz XZUFZFDVXVUMHT-NSHDSACASA-N -2 3 328.346 0.967 20 0 ECADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCN2CCCCC2=O)o1 ZINC000740175731 579731558 /nfs/dbraw/zinc/73/15/58/579731558.db2.gz XHYQMAWFRBVOCU-UHFFFAOYSA-N -2 3 330.362 0.659 20 0 ECADHL O=C([O-])c1coc(C(=O)COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000740259436 579734625 /nfs/dbraw/zinc/73/46/25/579734625.db2.gz WGJKJCUQNVQFAQ-UHFFFAOYSA-N -2 3 343.247 0.901 20 0 ECADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCN2C(=O)CCC2=O)c1 ZINC000740270823 579735168 /nfs/dbraw/zinc/73/51/68/579735168.db2.gz GMVVNBGJBAGVNQ-UHFFFAOYSA-N -2 3 346.386 0.264 20 0 ECADHL O=C([O-])NCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740650348 579757619 /nfs/dbraw/zinc/75/76/19/579757619.db2.gz LMBBMCUPOFEKBH-GFCCVEGCSA-N -2 3 335.360 0.771 20 0 ECADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C1CC1 ZINC000834206669 588889706 /nfs/dbraw/zinc/88/97/06/588889706.db2.gz NVKVRDYOMALLKK-SNVBAGLBSA-N -2 3 328.394 0.544 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c(F)cc1C ZINC000837286080 588947365 /nfs/dbraw/zinc/94/73/65/588947365.db2.gz FCVDNGPYRZGKCC-MRVPVSSYSA-N -2 3 333.337 0.920 20 0 ECADHL Cc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)cc1C(=O)[O-] ZINC000840899600 588974955 /nfs/dbraw/zinc/97/49/55/588974955.db2.gz PWFLLZUBXLMVQA-UHFFFAOYSA-N -2 3 344.364 0.731 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)C1SCCCS1 ZINC000842359485 589028997 /nfs/dbraw/zinc/02/89/97/589028997.db2.gz UBMQLSZPGMRBTL-UHFFFAOYSA-N -2 3 344.443 0.959 20 0 ECADHL CC(C)c1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838915802 586829245 /nfs/dbraw/zinc/82/92/45/586829245.db2.gz CMFJYROQZVVGKN-UHFFFAOYSA-N -2 3 348.388 0.934 20 0 ECADHL O=C([O-])C1(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)CCC1 ZINC000905035318 586864552 /nfs/dbraw/zinc/86/45/52/586864552.db2.gz CLBAXHZVDHKQAF-KCJUWKMLSA-N -2 3 325.333 0.727 20 0 ECADHL CN1CC[C@]2(CCN(S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])C2)C1 ZINC000906997052 587004316 /nfs/dbraw/zinc/00/43/16/587004316.db2.gz IDIZVYGLMMGSMY-HNNXBMFYSA-N -2 3 340.401 0.807 20 0 ECADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccc2nonc21)C(F)F ZINC000809226761 587172408 /nfs/dbraw/zinc/17/24/08/587172408.db2.gz JUGBGIUKPIVGLR-ZCFIWIBFSA-N -2 3 335.288 0.857 20 0 ECADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2cccc3nonc32)CCCOC1 ZINC000819106802 587468795 /nfs/dbraw/zinc/46/87/95/587468795.db2.gz BDPPYEBGXKVYTB-ZDUSSCGKSA-N -2 3 341.345 0.525 20 0 ECADHL O=C([O-])C[C@]1([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCOC1 ZINC000819104911 587468846 /nfs/dbraw/zinc/46/88/46/587468846.db2.gz AOQUKFCCCJNTJF-OAHLLOKOSA-N -2 3 339.369 0.973 20 0 ECADHL O=C([O-])CNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000819522098 587481594 /nfs/dbraw/zinc/48/15/94/587481594.db2.gz XZWSSUNOYZPVDS-UHFFFAOYSA-N -2 3 335.341 0.844 20 0 ECADHL C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820404634 587532735 /nfs/dbraw/zinc/53/27/35/587532735.db2.gz ZOQOUVORDSKASB-QMMMGPOBSA-N -2 3 342.315 0.922 20 0 ECADHL Cn1cc(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)[O-])nc1Cl ZINC000821245856 587579697 /nfs/dbraw/zinc/57/96/97/587579697.db2.gz BDPAWECEVBLDPX-SECBINFHSA-N -2 3 344.780 0.443 20 0 ECADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821566647 587600498 /nfs/dbraw/zinc/60/04/98/587600498.db2.gz NSZZVUHFVTULRB-UHFFFAOYSA-N -2 3 347.360 0.202 20 0 ECADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821566647 587600499 /nfs/dbraw/zinc/60/04/99/587600499.db2.gz NSZZVUHFVTULRB-UHFFFAOYSA-N -2 3 347.360 0.202 20 0 ECADHL COCCO[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821692788 587623930 /nfs/dbraw/zinc/62/39/30/587623930.db2.gz CDQRWRUKSLTTJD-CYBMUJFWSA-N -2 3 335.364 0.964 20 0 ECADHL COCCO[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821692788 587623931 /nfs/dbraw/zinc/62/39/31/587623931.db2.gz CDQRWRUKSLTTJD-CYBMUJFWSA-N -2 3 335.364 0.964 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@H](C)C(=O)[O-] ZINC000821700179 587625286 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579283454 /nfs/dbraw/zinc/28/34/54/579283454.db2.gz RVUVBCAMKLPMSD-HTQZYQBOSA-N -2 3 337.785 0.232 20 0 ECADHL O=C([O-])[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H](O)c1ccccc1 ZINC000776597520 579285761 /nfs/dbraw/zinc/28/57/61/579285761.db2.gz LYXJFZBENPRILQ-XQQFMLRXSA-N -2 3 329.374 0.272 20 0 ECADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000776616130 579286387 /nfs/dbraw/zinc/28/63/87/579286387.db2.gz PBPHRKNBHSCUCV-KCJUWKMLSA-N -2 3 329.334 0.115 20 0 ECADHL COC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000776624610 579286551 /nfs/dbraw/zinc/28/65/51/579286551.db2.gz CVJPJDXAOLZODJ-SSDOTTSWSA-N -2 3 329.161 0.766 20 0 ECADHL CCc1nncn1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000761311890 579527307 /nfs/dbraw/zinc/52/73/07/579527307.db2.gz IJWMFPGVGXEBOL-UHFFFAOYSA-N -2 3 342.352 0.656 20 0 ECADHL CC(C)(CC(=O)[O-])NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000761624561 579530277 /nfs/dbraw/zinc/53/02/77/579530277.db2.gz MMEGLIKTQKEXTR-INIZCTEOSA-N -2 3 333.344 0.724 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000738140829 579607454 /nfs/dbraw/zinc/60/74/54/579607454.db2.gz XEWWRAZQVUWYOR-JTQLQIEISA-N -2 3 337.361 0.098 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000738140829 579607455 /nfs/dbraw/zinc/60/74/55/579607455.db2.gz XEWWRAZQVUWYOR-JTQLQIEISA-N -2 3 337.361 0.098 20 0 ECADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000738164786 579609151 /nfs/dbraw/zinc/60/91/51/579609151.db2.gz YYJPFLHZSPFYGH-LBPRGKRZSA-N -2 3 341.389 0.930 20 0 ECADHL O=C([O-])CCCS(=O)(=O)[N-][C@H]1CCN(c2ccccc2F)C1=O ZINC000738582681 579639826 /nfs/dbraw/zinc/63/98/26/579639826.db2.gz NDUPJPOOBUZPFP-NSHDSACASA-N -2 3 344.364 0.715 20 0 ECADHL O=C([O-])CCCS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2F)C1=O ZINC000738582678 579639874 /nfs/dbraw/zinc/63/98/74/579639874.db2.gz NDUPJPOOBUZPFP-LLVKDONJSA-N -2 3 344.364 0.715 20 0 ECADHL Cc1cccc(-n2cc(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)nn2)c1 ZINC000738681065 579644875 /nfs/dbraw/zinc/64/48/75/579644875.db2.gz PFDLRCJTESLFKG-UHFFFAOYSA-N -2 3 327.304 0.573 20 0 ECADHL CC(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738796300 579649800 /nfs/dbraw/zinc/64/98/00/579649800.db2.gz DDOJUFMZBHBFMG-SNVBAGLBSA-N -2 3 330.366 0.684 20 0 ECADHL C[C@H](CNC(=O)[O-])N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000738921740 579656460 /nfs/dbraw/zinc/65/64/60/579656460.db2.gz BUTUBYFKXDRIOT-SECBINFHSA-N -2 3 349.434 0.531 20 0 ECADHL CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccc2n[n-]nc2c1 ZINC000739687829 579703509 /nfs/dbraw/zinc/70/35/09/579703509.db2.gz GTHAXYGEBXXMSS-UHFFFAOYSA-N -2 3 332.364 0.326 20 0 ECADHL COC(=O)c1csc(S(=O)(=O)[N-]C(C)(C)CNC(=O)[O-])c1 ZINC000739793417 579713801 /nfs/dbraw/zinc/71/38/01/579713801.db2.gz NLSYIAQVNQKQBP-UHFFFAOYSA-N -2 3 336.391 0.859 20 0 ECADHL Cc1ccc(C(=O)NCCC(=O)N[C@H](CNC(=O)[O-])C2CC2)c([O-])c1 ZINC000740106402 579729645 /nfs/dbraw/zinc/72/96/45/579729645.db2.gz IHBRTEBVHSSQJH-CYBMUJFWSA-N -2 3 349.387 0.983 20 0 ECADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)c1 ZINC000740143811 579730605 /nfs/dbraw/zinc/73/06/05/579730605.db2.gz KIMYQRZZGJLVJK-NSHDSACASA-N -2 3 347.364 0.998 20 0 ECADHL O=C([O-])[C@@H](OC(=O)CN1CC(=O)[N-]C1=O)c1cccc(Cl)c1 ZINC000740306485 579737178 /nfs/dbraw/zinc/73/71/78/579737178.db2.gz GCRCNPNNVRKWIV-NSHDSACASA-N -2 3 326.692 0.561 20 0 ECADHL O=C([O-])N1CCN(CCNC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000740441974 579747660 /nfs/dbraw/zinc/74/76/60/579747660.db2.gz UBTSZBJCPHYJKB-UHFFFAOYSA-N -2 3 340.355 0.626 20 0 ECADHL O=C([O-])N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000740587336 579754095 /nfs/dbraw/zinc/75/40/95/579754095.db2.gz RFGXADRXYNRYHN-YPMHNXCESA-N -2 3 347.371 0.865 20 0 ECADHL O=C(CSc1n[n-]c(=S)s1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000747386980 579851714 /nfs/dbraw/zinc/85/17/14/579851714.db2.gz SJCJJBKBLIQSNW-YFKPBYRVSA-N -2 3 345.435 0.032 20 0 ECADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1cccc2nonc21)C1CC1 ZINC000834150166 588885085 /nfs/dbraw/zinc/88/50/85/588885085.db2.gz LMMQAABVNWRRSA-VIFPVBQESA-N -2 3 326.334 0.547 20 0 ECADHL O=C([O-])N1CC[C@@H](C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000834291391 588893973 /nfs/dbraw/zinc/89/39/73/588893973.db2.gz YLNUZRWYZYWYDA-ZYHUDNBSSA-N -2 3 346.343 0.376 20 0 ECADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000843295761 589059745 /nfs/dbraw/zinc/05/97/45/589059745.db2.gz NITBQOFSMJSDKC-QMMMGPOBSA-N -2 3 345.402 0.955 20 0 ECADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c(Cl)n1 ZINC000843304325 589060580 /nfs/dbraw/zinc/06/05/80/589060580.db2.gz DOJMPPSMRNNFCQ-JTQLQIEISA-N -2 3 344.780 0.881 20 0 ECADHL CO[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)C1 ZINC000838913388 586828636 /nfs/dbraw/zinc/82/86/36/586828636.db2.gz RAEBVCMECPFGIK-NXEZZACHSA-N -2 3 338.389 0.968 20 0 ECADHL O=C(CCOCC(F)F)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838914223 586829233 /nfs/dbraw/zinc/82/92/33/586829233.db2.gz NPHFUYCVFAGGBV-UHFFFAOYSA-N -2 3 334.304 0.435 20 0 ECADHL O=C([O-])c1cccc(S(=O)(=O)[N-]CCN2CCOCC2)c1F ZINC000905195925 586876158 /nfs/dbraw/zinc/87/61/58/586876158.db2.gz GBPMPABLBCVSMT-UHFFFAOYSA-N -2 3 332.353 0.134 20 0 ECADHL CO[C@@H](C[N-]S(=O)(=O)c1cscc1Br)C(=O)[O-] ZINC000905998986 586927791 /nfs/dbraw/zinc/92/77/91/586927791.db2.gz LJLCGMAUQZWPDV-LURJTMIESA-N -2 3 344.208 0.889 20 0 ECADHL CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000800553164 586968903 /nfs/dbraw/zinc/96/89/03/586968903.db2.gz LFUJJNCZGUIPHH-UHFFFAOYSA-N -2 3 336.369 0.741 20 0 ECADHL COC(=O)c1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c[n-]1 ZINC000814531385 587276241 /nfs/dbraw/zinc/27/62/41/587276241.db2.gz HTEUDNNIHZFQCF-UHFFFAOYSA-N -2 3 330.296 0.915 20 0 ECADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)[C@@H]1CCCOC1 ZINC000819105806 587468873 /nfs/dbraw/zinc/46/88/73/587468873.db2.gz PIBRYJKHAXKMTO-ZWNOBZJWSA-N -2 3 343.405 0.378 20 0 ECADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000819158087 587470937 /nfs/dbraw/zinc/47/09/37/587470937.db2.gz FQYFOKSPGXASOA-UHFFFAOYSA-N -2 3 342.352 0.922 20 0 ECADHL COc1nc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)n[n-]1 ZINC000820881470 587561584 /nfs/dbraw/zinc/56/15/84/587561584.db2.gz COBDNQHTBITREZ-SNVBAGLBSA-N -2 3 330.304 0.471 20 0 ECADHL COc1nnc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)[n-]1 ZINC000820881470 587561586 /nfs/dbraw/zinc/56/15/86/587561586.db2.gz COBDNQHTBITREZ-SNVBAGLBSA-N -2 3 330.304 0.471 20 0 ECADHL COc1n[n-]c(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)n1 ZINC000820881470 587561587 /nfs/dbraw/zinc/56/15/87/587561587.db2.gz COBDNQHTBITREZ-SNVBAGLBSA-N -2 3 330.304 0.471 20 0 ECADHL CCn1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])ccc1=O ZINC000821566367 587600769 /nfs/dbraw/zinc/60/07/69/587600769.db2.gz AKGPRNGQUAIXMH-UHFFFAOYSA-N -2 3 327.304 0.401 20 0 ECADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821682382 587619993 /nfs/dbraw/zinc/61/99/93/587619993.db2.gz DBWGLSZVIWDLEE-ZCFIWIBFSA-N -2 3 331.379 0.023 20 0 ECADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821682382 587619994 /nfs/dbraw/zinc/61/99/94/587619994.db2.gz DBWGLSZVIWDLEE-ZCFIWIBFSA-N -2 3 331.379 0.023 20 0 ECADHL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1F ZINC000822211667 587648425 /nfs/dbraw/zinc/64/84/25/587648425.db2.gz KDFDANLEELSQQO-UHFFFAOYSA-N -2 3 337.340 0.849 20 0 ECADHL Cn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000822688854 587675267 /nfs/dbraw/zinc/67/52/67/587675267.db2.gz BDVIEDRTCQZLFO-UHFFFAOYSA-N -2 3 341.303 0.679 20 0 ECADHL Cn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822688854 587675268 /nfs/dbraw/zinc/67/52/68/587675268.db2.gz BDVIEDRTCQZLFO-UHFFFAOYSA-N -2 3 341.303 0.679 20 0 ECADHL NC(=O)NCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822873772 587687192 /nfs/dbraw/zinc/68/71/92/587687192.db2.gz INPMRTUXHYRXCI-UHFFFAOYSA-N -2 3 333.352 0.740 20 0 ECADHL O=C(CS(=O)(=O)c1ncc[n-]1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823055187 587699928 /nfs/dbraw/zinc/69/99/28/587699928.db2.gz KHEDHALOQDYEDM-UHFFFAOYSA-N -2 3 333.333 0.002 20 0 ECADHL O=C(CS(=O)(=O)c1ncc[n-]1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823055187 587699931 /nfs/dbraw/zinc/69/99/31/587699931.db2.gz KHEDHALOQDYEDM-UHFFFAOYSA-N -2 3 333.333 0.002 20 0 ECADHL O=C([O-])CC1(NC(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000823387296 587719219 /nfs/dbraw/zinc/71/92/19/587719219.db2.gz IAUDGWSOZHPFSF-UHFFFAOYSA-N -2 3 331.332 0.620 20 0 ECADHL O=C([O-])CC1(NC(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000823387296 587719221 /nfs/dbraw/zinc/71/92/21/587719221.db2.gz IAUDGWSOZHPFSF-UHFFFAOYSA-N -2 3 331.332 0.620 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1F ZINC000823836273 587745095 /nfs/dbraw/zinc/74/50/95/587745095.db2.gz CMYAOYJHIXEIOL-CQSZACIVSA-N -2 3 344.364 0.671 20 0 ECADHL CC(C)(CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)NC(=O)[O-] ZINC000824001613 587847839 /nfs/dbraw/zinc/84/78/39/587847839.db2.gz JQLKWKMKEYGVCQ-INIZCTEOSA-N -2 3 348.359 0.517 20 0 ECADHL 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O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N-]C(=O)c1ccccc1 ZINC000823022718 587697435 /nfs/dbraw/zinc/69/74/35/587697435.db2.gz MJYFHKQXJBZXJF-UHFFFAOYSA-N -2 3 340.299 0.308 20 0 ECADHL O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N-]C(=O)c1ccccc1 ZINC000823022718 587697436 /nfs/dbraw/zinc/69/74/36/587697436.db2.gz MJYFHKQXJBZXJF-UHFFFAOYSA-N -2 3 340.299 0.308 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC000823284106 587714170 /nfs/dbraw/zinc/71/41/70/587714170.db2.gz CUUQZTUOFHFBGR-OLZOCXBDSA-N -2 3 347.400 0.859 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC000823284106 587714172 /nfs/dbraw/zinc/71/41/72/587714172.db2.gz CUUQZTUOFHFBGR-OLZOCXBDSA-N -2 3 347.400 0.859 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccnc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823285369 587714299 /nfs/dbraw/zinc/71/42/99/587714299.db2.gz RGZWGCVPMWFFNK-UHFFFAOYSA-N -2 3 336.358 0.442 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccnc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823285369 587714301 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/nfs/dbraw/zinc/39/29/64/322392964.db2.gz HSXWPDAFLXFCCD-LBPRGKRZSA-N -2 3 343.336 0.672 20 0 ECADHL C[C@@]1(c2cccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000565250853 322445984 /nfs/dbraw/zinc/44/59/84/322445984.db2.gz PIBZQVFVIWUHOW-QEKSWQHZSA-N -2 3 331.328 0.334 20 0 ECADHL C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000566176313 322509235 /nfs/dbraw/zinc/50/92/35/322509235.db2.gz HAHXKAHGHRAPHN-SECBINFHSA-N -2 3 326.378 0.746 20 0 ECADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1F)C(=O)[O-] ZINC000566311807 322523248 /nfs/dbraw/zinc/52/32/48/322523248.db2.gz ILLFYXCGWXPOII-CMPLNLGQSA-N -2 3 337.344 0.998 20 0 ECADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])cc1Cl ZINC000570529428 322690915 /nfs/dbraw/zinc/69/09/15/322690915.db2.gz PCDFTCATDCZTLT-SSDOTTSWSA-N -2 3 344.172 0.726 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1noc(C)n1 ZINC000574317241 322777190 /nfs/dbraw/zinc/77/71/90/322777190.db2.gz QULVDPPENUVRBB-UHFFFAOYSA-N -2 3 333.347 0.625 20 0 ECADHL Cc1c(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])cnn1-c1ccccn1 ZINC000576633540 322811796 /nfs/dbraw/zinc/81/17/96/322811796.db2.gz HKPJXHKCAWRUOR-VIFPVBQESA-N -2 3 328.325 0.277 20 0 ECADHL Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(=O)[O-])cn1C ZINC000578577513 322868022 /nfs/dbraw/zinc/86/80/22/322868022.db2.gz KHPXOCZJGVENPR-CYBMUJFWSA-N -2 3 337.401 0.950 20 0 ECADHL COC(=O)c1csc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c1 ZINC000619708788 546359246 /nfs/dbraw/zinc/35/92/46/546359246.db2.gz QDSXDYQQNPEBEM-LLVKDONJSA-N -2 3 335.359 0.057 20 0 ECADHL CN(C)c1nc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)cc(=O)[n-]1 ZINC000670183660 547981843 /nfs/dbraw/zinc/98/18/43/547981843.db2.gz KXCONROCONCGCM-LBPRGKRZSA-N -2 3 340.347 0.281 20 0 ECADHL CN(C)c1nc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc(=O)[n-]1 ZINC000670183660 547981849 /nfs/dbraw/zinc/98/18/49/547981849.db2.gz KXCONROCONCGCM-LBPRGKRZSA-N -2 3 340.347 0.281 20 0 ECADHL Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)[N-]OCC(C)C ZINC000750008674 579346071 /nfs/dbraw/zinc/34/60/71/579346071.db2.gz WIISKIJLQYRPDQ-UHFFFAOYSA-N -2 3 338.408 0.964 20 0 ECADHL O=C(Nc1cc(I)ccc1[O-])c1cc(=O)[nH][n-]1 ZINC000748309268 579857577 /nfs/dbraw/zinc/85/75/77/579857577.db2.gz KPTHPGLGFYYUGU-UHFFFAOYSA-N -2 3 345.096 0.811 20 0 ECADHL C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115335 578409140 /nfs/dbraw/zinc/40/91/40/578409140.db2.gz HFZKOLFRWISIFD-ZCFIWIBFSA-N -2 3 342.319 0.141 20 0 ECADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2nnn[n-]2)ccc1F ZINC000736155649 578412208 /nfs/dbraw/zinc/41/22/08/578412208.db2.gz BWHHBBRCRJDDRH-UHFFFAOYSA-N -2 3 328.329 0.278 20 0 ECADHL CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000736667277 578444810 /nfs/dbraw/zinc/44/48/10/578444810.db2.gz NDQJLMOXITYAIT-KWQFWETISA-N -2 3 339.377 0.644 20 0 ECADHL CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000736667277 578444811 /nfs/dbraw/zinc/44/48/11/578444811.db2.gz NDQJLMOXITYAIT-KWQFWETISA-N -2 3 339.377 0.644 20 0 ECADHL Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1nnn[n-]1 ZINC000737549825 578505994 /nfs/dbraw/zinc/50/59/94/578505994.db2.gz ZFKMDGHJZRBJJS-UHFFFAOYSA-N -2 3 340.307 0.002 20 0 ECADHL Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1nn[n-]n1 ZINC000737549825 578505995 /nfs/dbraw/zinc/50/59/95/578505995.db2.gz ZFKMDGHJZRBJJS-UHFFFAOYSA-N -2 3 340.307 0.002 20 0 ECADHL Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1nnn[n-]1 ZINC000737549825 578505996 /nfs/dbraw/zinc/50/59/96/578505996.db2.gz ZFKMDGHJZRBJJS-UHFFFAOYSA-N -2 3 340.307 0.002 20 0 ECADHL Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1nn[n-]n1 ZINC000737549825 578505997 /nfs/dbraw/zinc/50/59/97/578505997.db2.gz ZFKMDGHJZRBJJS-UHFFFAOYSA-N -2 3 340.307 0.002 20 0 ECADHL CCOC(=O)c1ncc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[n-]1 ZINC000793963019 578567529 /nfs/dbraw/zinc/56/75/29/578567529.db2.gz CCQPCRLKEQFISR-UHFFFAOYSA-N -2 3 336.270 0.982 20 0 ECADHL CCOC(=O)c1nc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c[n-]1 ZINC000793963019 578567530 /nfs/dbraw/zinc/56/75/30/578567530.db2.gz CCQPCRLKEQFISR-UHFFFAOYSA-N -2 3 336.270 0.982 20 0 ECADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)C2CC2)cc1F ZINC000784898963 578759422 /nfs/dbraw/zinc/75/94/22/578759422.db2.gz QQUGYVUDQVZQSS-UHFFFAOYSA-N -2 3 336.366 0.412 20 0 ECADHL CO[C@@H](C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl)CC(=O)[O-] ZINC000788693235 578842771 /nfs/dbraw/zinc/84/27/71/578842771.db2.gz IKLXLBCXIHUZOV-SSDOTTSWSA-N -2 3 325.774 0.150 20 0 ECADHL COc1ccc([O-])c(S(=O)(=O)NN=c2nc(OC)cc[n-]2)c1 ZINC000775670816 579269808 /nfs/dbraw/zinc/26/98/08/579269808.db2.gz OSNZDRFDQQCFBF-UHFFFAOYSA-N -2 3 326.334 0.505 20 0 ECADHL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)[N-]OCC(F)F ZINC000760142525 579505550 /nfs/dbraw/zinc/50/55/50/579505550.db2.gz UBEZGLFBEYACNT-UHFFFAOYSA-N -2 3 325.275 0.803 20 0 ECADHL CNc1ncc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)s1 ZINC000763939897 579567929 /nfs/dbraw/zinc/56/79/29/579567929.db2.gz UUHIUHWNURNDLU-UHFFFAOYSA-N -2 3 334.408 0.660 20 0 ECADHL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCN(C)C(=O)[O-])s1 ZINC000738536828 579636617 /nfs/dbraw/zinc/63/66/17/579636617.db2.gz NVGKGNUFPZIRLD-MRVPVSSYSA-N -2 3 349.434 0.833 20 0 ECADHL CC(C)(CC(=O)OCC(=O)[N-]C(=O)c1cccs1)NC(=O)[O-] ZINC000738738346 579647116 /nfs/dbraw/zinc/64/71/16/579647116.db2.gz KHYFAUYODTUJBL-UHFFFAOYSA-N -2 3 328.346 0.984 20 0 ECADHL NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000739151260 579669810 /nfs/dbraw/zinc/66/98/10/579669810.db2.gz CIEXDOJAWBWWGS-VXNVDRBHSA-N -2 3 332.403 0.769 20 0 ECADHL C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H](C)N1C(=O)[O-] ZINC000739164862 579671129 /nfs/dbraw/zinc/67/11/29/579671129.db2.gz DPFHIQLSUQKJDH-DTORHVGOSA-N -2 3 331.328 0.783 20 0 ECADHL C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC[C@@H]1NC(=O)[O-] ZINC000739165467 579671167 /nfs/dbraw/zinc/67/11/67/579671167.db2.gz GYGHMOKTVIVKBE-PELKAZGASA-N -2 3 331.328 0.688 20 0 ECADHL C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000739170453 579671649 /nfs/dbraw/zinc/67/16/49/579671649.db2.gz SDHRGHAUEMHXDP-JTQLQIEISA-N -2 3 341.389 0.882 20 0 ECADHL CCC[C@](C)(NC(=O)[O-])C(=O)OCc1nc2c(cnn2C)c(=O)[n-]1 ZINC000739294314 579680106 /nfs/dbraw/zinc/68/01/06/579680106.db2.gz BBJMTDKVIVDTON-AWEZNQCLSA-N -2 3 337.336 0.939 20 0 ECADHL O=C([O-])CCNC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000739733649 579707249 /nfs/dbraw/zinc/70/72/49/579707249.db2.gz MNLHVGBGRYNFTM-UHFFFAOYSA-N -2 3 346.133 0.902 20 0 ECADHL CS(=O)(=O)c1nc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])n[n-]1 ZINC000740003759 579727010 /nfs/dbraw/zinc/72/70/10/579727010.db2.gz AIOUTGSXVDMJGT-UHFFFAOYSA-N -3 3 341.305 0.256 20 0 ECADHL CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])n1 ZINC000740003759 579727011 /nfs/dbraw/zinc/72/70/11/579727011.db2.gz AIOUTGSXVDMJGT-UHFFFAOYSA-N -3 3 341.305 0.256 20 0 ECADHL O=C([O-])N1CSC[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000740445894 579748012 /nfs/dbraw/zinc/74/80/12/579748012.db2.gz YBZWWXOIBJFCLB-SNVBAGLBSA-N -2 3 334.361 0.536 20 0 ECADHL O=C([O-])N1CSC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000740445894 579748014 /nfs/dbraw/zinc/74/80/14/579748014.db2.gz YBZWWXOIBJFCLB-SNVBAGLBSA-N -2 3 334.361 0.536 20 0 ECADHL O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000740573060 579753345 /nfs/dbraw/zinc/75/33/45/579753345.db2.gz SQHSORSKTDHJBJ-NEPJUHHUSA-N -2 3 330.348 0.919 20 0 ECADHL O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000740573060 579753346 /nfs/dbraw/zinc/75/33/46/579753346.db2.gz SQHSORSKTDHJBJ-NEPJUHHUSA-N -2 3 330.348 0.919 20 0 ECADHL O=C([O-])NC[C@H](NC(=O)CC[C@H]1NC(=O)[N-]C1=O)C1CCCCC1 ZINC000740604147 579755179 /nfs/dbraw/zinc/75/51/79/579755179.db2.gz YBLBMCKNZDYOKD-MNOVXSKESA-N -2 3 340.380 0.307 20 0 ECADHL O=C([O-])N1CCC[C@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000834290088 588893818 /nfs/dbraw/zinc/89/38/18/588893818.db2.gz PMPCNJBJISCHGZ-RYUDHWBXSA-N -2 3 346.343 0.518 20 0 ECADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c1 ZINC000841783444 589000738 /nfs/dbraw/zinc/00/07/38/589000738.db2.gz YJJYIJCNSJFOBG-ZDUSSCGKSA-N -2 3 349.336 0.116 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)c1cn(C2CCC2)nn1 ZINC000842791428 589036941 /nfs/dbraw/zinc/03/69/41/589036941.db2.gz BIBVFFJHOPKBHB-UHFFFAOYSA-N -2 3 347.360 0.393 20 0 ECADHL O=C(NCc1nc([O-])cc(=O)[n-]1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000898749369 586447714 /nfs/dbraw/zinc/44/77/14/586447714.db2.gz AYGUVWACUSKBIF-MRVPVSSYSA-N -2 3 334.298 0.778 20 0 ECADHL O=C([O-])N1CCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000834110676 586757261 /nfs/dbraw/zinc/75/72/61/586757261.db2.gz RLLXBIXUDSXARR-UHFFFAOYSA-N -2 3 332.316 0.620 20 0 ECADHL Cc1cn[nH]c1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000903409280 586775510 /nfs/dbraw/zinc/77/55/10/586775510.db2.gz UMULSOFCMFBHMU-SCZZXKLOSA-N -2 3 334.298 0.814 20 0 ECADHL CC(CC(=O)[N-]OC[C@H]1CCOC1)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000768261301 586904592 /nfs/dbraw/zinc/90/45/92/586904592.db2.gz SNDWLVXLBOTNJZ-KBPBESRZSA-N -2 3 344.408 0.571 20 0 ECADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000906791797 586984046 /nfs/dbraw/zinc/98/40/46/586984046.db2.gz XSUMNDNJPNPBRX-LBPRGKRZSA-N -2 3 340.401 0.949 20 0 ECADHL CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000907098031 587013074 /nfs/dbraw/zinc/01/30/74/587013074.db2.gz PVYFHNJOYHSFIH-NSHDSACASA-N -2 3 348.446 0.835 20 0 ECADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000819869148 587493794 /nfs/dbraw/zinc/49/37/94/587493794.db2.gz CYTJHORWEANMEC-JTQLQIEISA-N -2 3 336.314 0.462 20 0 ECADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000820534016 587540049 /nfs/dbraw/zinc/54/00/49/587540049.db2.gz IWTCGABQMXSJGW-QFYYESIMSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000820534016 587540051 /nfs/dbraw/zinc/54/00/51/587540051.db2.gz IWTCGABQMXSJGW-QFYYESIMSA-N -2 3 345.359 0.957 20 0 ECADHL Cc1cc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ccc1C(=O)[O-] ZINC000821023559 587570087 /nfs/dbraw/zinc/57/00/87/587570087.db2.gz AIJRAFRWJWSLAW-NSHDSACASA-N -2 3 332.316 0.461 20 0 ECADHL CCCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821088325 587572404 /nfs/dbraw/zinc/57/24/04/587572404.db2.gz LBEWNGPZRKPJKV-JTQLQIEISA-N -2 3 333.348 0.957 20 0 ECADHL CCCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821088325 587572406 /nfs/dbraw/zinc/57/24/06/587572406.db2.gz LBEWNGPZRKPJKV-JTQLQIEISA-N -2 3 333.348 0.957 20 0 ECADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)CC(C)(C)C)s1 ZINC000821250197 587579843 /nfs/dbraw/zinc/57/98/43/587579843.db2.gz RIENDZXXESLJNM-SCZZXKLOSA-N -2 3 336.435 0.980 20 0 ECADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822240995 587649728 /nfs/dbraw/zinc/64/97/28/587649728.db2.gz IDAKJZYLKDTPRX-UHFFFAOYSA-N -2 3 337.340 0.849 20 0 ECADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000822623097 587669811 /nfs/dbraw/zinc/66/98/11/587669811.db2.gz OJNSVOKVUICMHL-UHFFFAOYSA-N -3 3 349.332 0.099 20 0 ECADHL Cn1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822685325 587674779 /nfs/dbraw/zinc/67/47/79/587674779.db2.gz XJAQXXMCHBLHJU-UHFFFAOYSA-N -2 3 346.372 0.465 20 0 ECADHL Cn1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822685325 587674780 /nfs/dbraw/zinc/67/47/80/587674780.db2.gz XJAQXXMCHBLHJU-UHFFFAOYSA-N -2 3 346.372 0.465 20 0 ECADHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823005483 587695896 /nfs/dbraw/zinc/69/58/96/587695896.db2.gz SSUWVASDZGYUCM-UHFFFAOYSA-N -2 3 345.344 0.397 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC(F)(F)C1 ZINC000823284434 587714203 /nfs/dbraw/zinc/71/42/03/587714203.db2.gz HBUJUPRMTNEKAT-UHFFFAOYSA-N -2 3 343.315 0.717 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC(F)(F)C1 ZINC000823284434 587714205 /nfs/dbraw/zinc/71/42/05/587714205.db2.gz HBUJUPRMTNEKAT-UHFFFAOYSA-N -2 3 343.315 0.717 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1C1CC1 ZINC000823285502 587714593 /nfs/dbraw/zinc/71/45/93/587714593.db2.gz UOYQVEDDBPBGBK-RYUDHWBXSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1C1CC1 ZINC000823285502 587714595 /nfs/dbraw/zinc/71/45/95/587714595.db2.gz UOYQVEDDBPBGBK-RYUDHWBXSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000823285503 587714611 /nfs/dbraw/zinc/71/46/11/587714611.db2.gz UOYQVEDDBPBGBK-VXGBXAGGSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000823285503 587714613 /nfs/dbraw/zinc/71/46/13/587714613.db2.gz UOYQVEDDBPBGBK-VXGBXAGGSA-N -2 3 333.373 0.718 20 0 ECADHL O=S(=O)([N-]Cc1ccc[nH]1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823578217 587732102 /nfs/dbraw/zinc/73/21/02/587732102.db2.gz KFJYPLLHTOCDQY-UHFFFAOYSA-N -2 3 340.315 0.952 20 0 ECADHL O=S(=O)([N-]Cc1ccc[nH]1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578217 587732103 /nfs/dbraw/zinc/73/21/03/587732103.db2.gz KFJYPLLHTOCDQY-UHFFFAOYSA-N -2 3 340.315 0.952 20 0 ECADHL C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000824412821 587872980 /nfs/dbraw/zinc/87/29/80/587872980.db2.gz GOAPZGMDAXNHFF-NXEZZACHSA-N -2 3 333.348 0.813 20 0 ECADHL C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824412821 587872982 /nfs/dbraw/zinc/87/29/82/587872982.db2.gz GOAPZGMDAXNHFF-NXEZZACHSA-N -2 3 333.348 0.813 20 0 ECADHL C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)NC(=O)[O-] ZINC000824593032 587881364 /nfs/dbraw/zinc/88/13/64/587881364.db2.gz WSQUVUUKKIJAON-LLVKDONJSA-N -2 3 335.360 0.723 20 0 ECADHL C[C@H](CC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)NC(=O)[O-] ZINC000824654717 587884101 /nfs/dbraw/zinc/88/41/01/587884101.db2.gz HBNZIOLOIKPEQQ-JDNHERCYSA-N -2 3 348.359 0.404 20 0 ECADHL C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000824967752 587906110 /nfs/dbraw/zinc/90/61/10/587906110.db2.gz VQABVIJZMVBMOE-FVMDXXJSSA-N -2 3 348.359 0.469 20 0 ECADHL CC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])N1CCCC1=O ZINC000825038765 587913358 /nfs/dbraw/zinc/91/33/58/587913358.db2.gz HWTGUUNOYVZDRA-LLVKDONJSA-N -2 3 330.348 0.912 20 0 ECADHL C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2cn(C)c(=O)[n-]c2=O)cc1 ZINC000825398039 587938235 /nfs/dbraw/zinc/93/82/35/587938235.db2.gz SHTKOXWGFPODGA-VIFPVBQESA-N -2 3 346.343 0.745 20 0 ECADHL C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000825810966 587962943 /nfs/dbraw/zinc/96/29/43/587962943.db2.gz YXCFCZLHPQSGBH-JQWIXIFHSA-N -2 3 335.360 0.769 20 0 ECADHL C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000825837964 587965022 /nfs/dbraw/zinc/96/50/22/587965022.db2.gz LLYFNBVEJIZSHC-SCZZXKLOSA-N -2 3 331.328 0.831 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)CCCC(=O)[O-] ZINC000826279498 588020022 /nfs/dbraw/zinc/02/00/22/588020022.db2.gz SAGMFOYOIROIFY-UHFFFAOYSA-N -2 3 339.377 0.660 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)CCCC(=O)[O-] ZINC000826279498 588020024 /nfs/dbraw/zinc/02/00/24/588020024.db2.gz SAGMFOYOIROIFY-UHFFFAOYSA-N -2 3 339.377 0.660 20 0 ECADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826483491 588059051 /nfs/dbraw/zinc/05/90/51/588059051.db2.gz PDHZRHOSHILVHM-UHFFFAOYSA-N -2 3 347.316 0.061 20 0 ECADHL O=c1[n-]c(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)n[nH]1 ZINC000826501452 588064784 /nfs/dbraw/zinc/06/47/84/588064784.db2.gz QSLPNKUMTBWRIM-UHFFFAOYSA-N -2 3 343.738 0.926 20 0 ECADHL O=c1[n-]c(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)n[nH]1 ZINC000826501452 588064785 /nfs/dbraw/zinc/06/47/85/588064785.db2.gz QSLPNKUMTBWRIM-UHFFFAOYSA-N -2 3 343.738 0.926 20 0 ECADHL CCN(CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000827150827 588102453 /nfs/dbraw/zinc/10/24/53/588102453.db2.gz ODWHPIOPDYUIKM-UHFFFAOYSA-N -2 3 334.350 0.653 20 0 ECADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000827362351 588114816 /nfs/dbraw/zinc/11/48/16/588114816.db2.gz NFCKTTOYFIMYJD-LBPRGKRZSA-N -2 3 349.387 0.129 20 0 ECADHL C[C@]1(c2cccc(C(=O)N3CCC[C@@H]3CC(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000828121010 588159945 /nfs/dbraw/zinc/15/99/45/588159945.db2.gz AWMWATOCSJBFIQ-SJKOYZFVSA-N -2 3 345.355 0.821 20 0 ECADHL CCN(CCC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000829701512 588336713 /nfs/dbraw/zinc/33/67/13/588336713.db2.gz ALQMPLQWDHQZST-UHFFFAOYSA-N -2 3 332.353 0.671 20 0 ECADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2cccnc2C(=O)[O-])n1 ZINC000829706376 588337134 /nfs/dbraw/zinc/33/71/34/588337134.db2.gz DVPLSCLDLOHZRX-UHFFFAOYSA-N -2 3 325.350 0.178 20 0 ECADHL Cn1ncc2c1nc(COC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)[n-]c2=O ZINC000831055597 588401929 /nfs/dbraw/zinc/40/19/29/588401929.db2.gz YSWXZENKHCDZOO-IUCAKERBSA-N -2 3 349.347 0.939 20 0 ECADHL O=C([O-])N1CCC(CC(=O)Nc2nnc(SCCO)[n-]2)CC1 ZINC000831351649 588422546 /nfs/dbraw/zinc/42/25/46/588422546.db2.gz YHVXTMFDCZDGAN-UHFFFAOYSA-N -2 3 329.382 0.608 20 0 ECADHL O=C([O-])N1CCC(CC(=O)Nc2n[n-]c(SCCO)n2)CC1 ZINC000831351649 588422548 /nfs/dbraw/zinc/42/25/48/588422548.db2.gz YHVXTMFDCZDGAN-UHFFFAOYSA-N -2 3 329.382 0.608 20 0 ECADHL O=C([O-])N1CCC(CC(=O)Nc2nc(SCCO)n[n-]2)CC1 ZINC000831351649 588422549 /nfs/dbraw/zinc/42/25/49/588422549.db2.gz YHVXTMFDCZDGAN-UHFFFAOYSA-N -2 3 329.382 0.608 20 0 ECADHL O=C([O-])N1CCC[C@H](OCC(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000831523904 588431242 /nfs/dbraw/zinc/43/12/42/588431242.db2.gz NKMDVGGPBSLJIL-JTQLQIEISA-N -2 3 346.347 0.964 20 0 ECADHL O=C([O-])N1CCC[C@H](OCC(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000831523904 588431244 /nfs/dbraw/zinc/43/12/44/588431244.db2.gz NKMDVGGPBSLJIL-JTQLQIEISA-N -2 3 346.347 0.964 20 0 ECADHL O=C([O-])N1CCC[C@H](OCC(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000831523904 588431246 /nfs/dbraw/zinc/43/12/46/588431246.db2.gz NKMDVGGPBSLJIL-JTQLQIEISA-N -2 3 346.347 0.964 20 0 ECADHL COC[C@](C)([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000831632183 588439006 /nfs/dbraw/zinc/43/90/06/588439006.db2.gz UTJIUPZCFAPOAC-JTQLQIEISA-N -2 3 325.774 0.150 20 0 ECADHL O=C([O-])N1CCC[C@@H]1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000831677098 588441416 /nfs/dbraw/zinc/44/14/16/588441416.db2.gz ZNPQGVUFHJDSJP-CYBMUJFWSA-N -2 3 335.360 0.771 20 0 ECADHL COCCCN(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000831692267 588442476 /nfs/dbraw/zinc/44/24/76/588442476.db2.gz KRQJFKZYAOSROP-UHFFFAOYSA-N -2 3 336.435 0.693 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCn1ccnc1 ZINC000831939142 588457862 /nfs/dbraw/zinc/45/78/62/588457862.db2.gz BENCBVLRWQBNHT-UHFFFAOYSA-N -2 3 331.375 0.630 20 0 ECADHL O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000832457034 588484337 /nfs/dbraw/zinc/48/43/37/588484337.db2.gz HGDOTHWTAMNVMS-AAEUAGOBSA-N -2 3 335.360 0.675 20 0 ECADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000833027175 588514939 /nfs/dbraw/zinc/51/49/39/588514939.db2.gz DVSHZERMXMFIEW-BDAKNGLRSA-N -2 3 330.362 0.609 20 0 ECADHL O=C([O-])Cn1cc(S(=O)(=O)[N-]Cc2nccn2C(F)F)cn1 ZINC000833274585 588533090 /nfs/dbraw/zinc/53/30/90/588533090.db2.gz FOAVHVALEJGNIB-UHFFFAOYSA-N -2 3 335.292 0.038 20 0 ECADHL CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000833487440 588544669 /nfs/dbraw/zinc/54/46/69/588544669.db2.gz DNMMBMSAMPDXJF-JTQLQIEISA-N -2 3 337.419 0.758 20 0 ECADHL CC(C)C[C@H](NC(=O)CNC(=O)/C=C\c1cncc([O-])c1)C(=O)[O-] ZINC000833491019 588545073 /nfs/dbraw/zinc/54/50/73/588545073.db2.gz SNVVMXOVRFWLHV-SCOBNMCVSA-N -2 3 335.360 0.532 20 0 ECADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000833683627 588558672 /nfs/dbraw/zinc/55/86/72/588558672.db2.gz TUMQNYVQHIYEFX-QMMMGPOBSA-N -2 3 331.268 0.742 20 0 ECADHL COCCN1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833725056 588563390 /nfs/dbraw/zinc/56/33/90/588563390.db2.gz YYUDDDNWASHJDA-VIFPVBQESA-N -2 3 349.434 0.230 20 0 ECADHL Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000833757304 588565040 /nfs/dbraw/zinc/56/50/40/588565040.db2.gz XOAVJTGKHXOFES-VIFPVBQESA-N -2 3 340.361 1.000 20 0 ECADHL 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0.467 20 0 ECADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000821589537 587603095 /nfs/dbraw/zinc/60/30/95/587603095.db2.gz RZZCHCSXTUAKOU-UHFFFAOYSA-N -2 3 348.392 0.467 20 0 ECADHL COc1ccccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821903676 587635342 /nfs/dbraw/zinc/63/53/42/587635342.db2.gz KFXVOFJLUZXGKX-UHFFFAOYSA-N -2 3 335.349 0.410 20 0 ECADHL Cc1cccc(NC(=O)C(=O)[N-]OCC(F)(F)F)c1-c1nnn[n-]1 ZINC000822323416 587653504 /nfs/dbraw/zinc/65/35/04/587653504.db2.gz GKMAZJUJTSYEQJ-UHFFFAOYSA-N -2 3 344.253 0.724 20 0 ECADHL Cc1cccc(NC(=O)C(=O)[N-]OCC(F)(F)F)c1-c1nn[n-]n1 ZINC000822323416 587653505 /nfs/dbraw/zinc/65/35/05/587653505.db2.gz GKMAZJUJTSYEQJ-UHFFFAOYSA-N -2 3 344.253 0.724 20 0 ECADHL Cc1nc(C)c(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)c(=O)[n-]1 ZINC000822427626 587659284 /nfs/dbraw/zinc/65/92/84/587659284.db2.gz RVIUVVOPYKYIEI-UHFFFAOYSA-N -2 3 332.349 0.617 20 0 ECADHL Cc1nc(C)c(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)c(=O)[n-]1 ZINC000822427626 587659285 /nfs/dbraw/zinc/65/92/85/587659285.db2.gz RVIUVVOPYKYIEI-UHFFFAOYSA-N -2 3 332.349 0.617 20 0 ECADHL O=C(C=CC1CC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822923016 587690923 /nfs/dbraw/zinc/69/09/23/587690923.db2.gz MOZQIAYKXSNQCX-VOTSOKGWSA-N -2 3 333.373 0.779 20 0 ECADHL O=C(C=CC1CC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822923016 587690925 /nfs/dbraw/zinc/69/09/25/587690925.db2.gz MOZQIAYKXSNQCX-VOTSOKGWSA-N -2 3 333.373 0.779 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1=COCCC1 ZINC000823284718 587714292 /nfs/dbraw/zinc/71/42/92/587714292.db2.gz ISOUIWGSRFRNMN-UHFFFAOYSA-N -2 3 335.345 0.366 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1=COCCC1 ZINC000823284718 587714293 /nfs/dbraw/zinc/71/42/93/587714293.db2.gz ISOUIWGSRFRNMN-UHFFFAOYSA-N -2 3 335.345 0.366 20 0 ECADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823387775 587719489 /nfs/dbraw/zinc/71/94/89/587719489.db2.gz XGEUHTRDEJSAIB-NSHDSACASA-N -2 3 337.361 0.246 20 0 ECADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823387775 587719490 /nfs/dbraw/zinc/71/94/90/587719490.db2.gz XGEUHTRDEJSAIB-NSHDSACASA-N -2 3 337.361 0.246 20 0 ECADHL CC(C)(CNC(=O)[O-])C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000823956810 587845768 /nfs/dbraw/zinc/84/57/68/587845768.db2.gz REEHCJRBWJKJQQ-UHFFFAOYSA-N -2 3 337.376 0.922 20 0 ECADHL CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1nc2c(cnn2C)c(=O)[n-]1 ZINC000824312458 587867439 /nfs/dbraw/zinc/86/74/39/587867439.db2.gz VXKPDCGSHUSDOY-VIFPVBQESA-N -2 3 337.336 0.794 20 0 ECADHL C[C@]1(c2cccc(C(=O)N3CC[C@@H](NC(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000825766077 587960053 /nfs/dbraw/zinc/96/00/53/587960053.db2.gz HZYIIVILGRCDJK-BDJLRTHQSA-N -2 3 346.343 0.223 20 0 ECADHL C[C@]1(c2cccc(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000825772925 587960553 /nfs/dbraw/zinc/96/05/53/587960553.db2.gz SWLQAZOVMYWOHK-BDJLRTHQSA-N -2 3 346.343 0.223 20 0 ECADHL C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000825837966 587965094 /nfs/dbraw/zinc/96/50/94/587965094.db2.gz LLYFNBVEJIZSHC-WPRPVWTQSA-N -2 3 331.328 0.831 20 0 ECADHL COCc1ccccc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826165515 588004076 /nfs/dbraw/zinc/00/40/76/588004076.db2.gz YPCVTZBFNGCLPI-UHFFFAOYSA-N -2 3 335.349 0.537 20 0 ECADHL COc1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826217650 588010364 /nfs/dbraw/zinc/01/03/64/588010364.db2.gz WLOUXOXXGBLVLL-UHFFFAOYSA-N -2 3 348.344 0.322 20 0 ECADHL COc1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826217650 588010366 /nfs/dbraw/zinc/01/03/66/588010366.db2.gz WLOUXOXXGBLVLL-UHFFFAOYSA-N -2 3 348.344 0.322 20 0 ECADHL COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826217597 588010597 /nfs/dbraw/zinc/01/05/97/588010597.db2.gz ULUIAZLNNHNRJV-UHFFFAOYSA-N -2 3 348.344 0.322 20 0 ECADHL COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826217597 588010599 /nfs/dbraw/zinc/01/05/99/588010599.db2.gz ULUIAZLNNHNRJV-UHFFFAOYSA-N -2 3 348.344 0.322 20 0 ECADHL Cc1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1F ZINC000826303695 588022299 /nfs/dbraw/zinc/02/22/99/588022299.db2.gz AGUXFZCNEWNGOW-UHFFFAOYSA-N -2 3 337.340 0.849 20 0 ECADHL Cc1[nH]nc([N-]S(=O)(=O)c2ncn(C)c2Cl)c1-c1nnn[n-]1 ZINC000826322728 588024200 /nfs/dbraw/zinc/02/42/00/588024200.db2.gz ZCNSSJDONVGVSV-UHFFFAOYSA-N -2 3 343.760 0.086 20 0 ECADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000826492478 588062314 /nfs/dbraw/zinc/06/23/14/588062314.db2.gz MWWRSFPLHRKELI-UHFFFAOYSA-N -2 3 335.305 0.119 20 0 ECADHL O=c1[n-]c(CN2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)n[nH]1 ZINC000826502090 588064698 /nfs/dbraw/zinc/06/46/98/588064698.db2.gz ULRUCIJBXPOCPI-UHFFFAOYSA-N -2 3 341.379 0.008 20 0 ECADHL O=c1[n-]c(CN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n[nH]1 ZINC000826502090 588064699 /nfs/dbraw/zinc/06/46/99/588064699.db2.gz ULRUCIJBXPOCPI-UHFFFAOYSA-N -2 3 341.379 0.008 20 0 ECADHL C[C@H](CS(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O)C(=O)[O-] ZINC000827551865 588127341 /nfs/dbraw/zinc/12/73/41/588127341.db2.gz HODPYVJHHGCYFS-PWSUYJOCSA-N -2 3 326.374 0.432 20 0 ECADHL C[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC000827550992 588127349 /nfs/dbraw/zinc/12/73/49/588127349.db2.gz DGJBEOCTOPDCSX-WCQYABFASA-N -2 3 340.401 0.822 20 0 ECADHL C[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O)C(=O)[O-] ZINC000827551866 588127543 /nfs/dbraw/zinc/12/75/43/588127543.db2.gz HODPYVJHHGCYFS-ZYHUDNBSSA-N -2 3 326.374 0.432 20 0 ECADHL CCn1cnc(S(=O)(=O)[N-]C[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c1 ZINC000827706657 588136377 /nfs/dbraw/zinc/13/63/77/588136377.db2.gz MHSMHTPAGJMDNV-UWVGGRQHSA-N -2 3 346.409 0.685 20 0 ECADHL C[C@@]1(c2ccc(C(=O)N3CCC[C@@H]3CC(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000828115914 588159604 /nfs/dbraw/zinc/15/96/04/588159604.db2.gz NWQZTGSGUSUTTI-PXAZEXFGSA-N -2 3 345.355 0.821 20 0 ECADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CSCCS1 ZINC000829395829 588323603 /nfs/dbraw/zinc/32/36/03/588323603.db2.gz ZROCLAOVXHXZHQ-LURJTMIESA-N -2 3 340.473 0.968 20 0 ECADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000829963105 588350748 /nfs/dbraw/zinc/35/07/48/588350748.db2.gz CFTOCOQXCQUKNQ-ZDUSSCGKSA-N -2 3 331.394 0.378 20 0 ECADHL Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)on1 ZINC000830097575 588360471 /nfs/dbraw/zinc/36/04/71/588360471.db2.gz PALAHKRIBSYVHH-VWYCJHECSA-N -2 3 326.353 0.667 20 0 ECADHL Cc1nc(CS(=O)(=O)[N-][C@]2(CC(=O)[O-])CCCOC2)cs1 ZINC000830098005 588360590 /nfs/dbraw/zinc/36/05/90/588360590.db2.gz OBRBIVXMIMYGLF-LBPRGKRZSA-N -2 3 334.419 0.895 20 0 ECADHL Cc1cc(=O)[n-]c(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000830122611 588361255 /nfs/dbraw/zinc/36/12/55/588361255.db2.gz NYYVOHAJJVQWKK-NSHDSACASA-N -2 3 337.380 0.086 20 0 ECADHL Cn1ccnc1-c1cc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n[n-]1 ZINC000831031535 588400241 /nfs/dbraw/zinc/40/02/41/588400241.db2.gz RPXNXYFIENQGMU-JTQLQIEISA-N -2 3 348.363 0.908 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)OC/C=C(\C)C(=O)[O-])ccc1F ZINC000831033961 588400589 /nfs/dbraw/zinc/40/05/89/588400589.db2.gz HHXQZYNLVKBUEZ-VMPITWQZSA-N -2 3 331.321 0.922 20 0 ECADHL O=C([N-]CC1CN(C(=O)c2cc3c(cc2[O-])OCO3)C1)C(F)(F)F ZINC000831133749 588407802 /nfs/dbraw/zinc/40/78/02/588407802.db2.gz COZVGCVAEHXSIU-UHFFFAOYSA-N -2 3 346.261 0.871 20 0 ECADHL COC(=O)N1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000831198716 588412758 /nfs/dbraw/zinc/41/27/58/588412758.db2.gz PSGOTLMIRYCWGX-UHFFFAOYSA-N -2 3 332.309 0.253 20 0 ECADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c1 ZINC000831390938 588423996 /nfs/dbraw/zinc/42/39/96/588423996.db2.gz SSUDUBKULKTREV-NSHDSACASA-N -2 3 331.321 0.754 20 0 ECADHL COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000831705467 588443023 /nfs/dbraw/zinc/44/30/23/588443023.db2.gz MKHQGAHGYMJVBY-UHFFFAOYSA-N -2 3 345.377 0.671 20 0 ECADHL COCCS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000831788230 588450095 /nfs/dbraw/zinc/45/00/95/588450095.db2.gz KUHAYBWIAKSXJT-VIFPVBQESA-N -2 3 348.402 0.117 20 0 ECADHL O=C([O-])N[C@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)C1 ZINC000832271242 588477221 /nfs/dbraw/zinc/47/72/21/588477221.db2.gz WKWFXJZCXIAHNV-RYUDHWBXSA-N -2 3 335.360 0.675 20 0 ECADHL O=C([O-])NC[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000832556853 588489116 /nfs/dbraw/zinc/48/91/16/588489116.db2.gz QPYIMJJJKHDADR-VIFPVBQESA-N -2 3 332.316 0.834 20 0 ECADHL O=C([O-])C1(NC(=O)Cn2cc(Cl)c(=O)[n-]c2=O)CCCCC1 ZINC000833121228 588523275 /nfs/dbraw/zinc/52/32/75/588523275.db2.gz BXNWTAVUTAPJEY-UHFFFAOYSA-N -2 3 329.740 0.506 20 0 ECADHL C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O ZINC000833604974 588552109 /nfs/dbraw/zinc/55/21/09/588552109.db2.gz LSBNVENUMHPSRU-QNSHHTMESA-N -2 3 328.346 0.265 20 0 ECADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)COCC(=O)[O-])cc1OC ZINC000844248875 589105207 /nfs/dbraw/zinc/10/52/07/589105207.db2.gz JIJXTOVRXKMIMX-UHFFFAOYSA-N -2 3 346.361 0.497 20 0 ECADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C(=O)[O-] ZINC000844782903 589120764 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ECADHL O=C([O-])NCCN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000740657692 579757984 /nfs/dbraw/zinc/75/79/84/579757984.db2.gz FMMTWXFDGQHPRV-UHFFFAOYSA-N -2 3 333.435 0.758 20 0 ECADHL CCO[N-]C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000746111331 579831206 /nfs/dbraw/zinc/83/12/06/579831206.db2.gz VPVZKNKHCYIQCA-UHFFFAOYSA-N -2 3 331.394 0.950 20 0 ECADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1cccc2nonc21)C1CC1 ZINC000834150165 588885177 /nfs/dbraw/zinc/88/51/77/588885177.db2.gz LMMQAABVNWRRSA-SECBINFHSA-N -2 3 326.334 0.547 20 0 ECADHL O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@@H]21 ZINC000834180289 588886955 /nfs/dbraw/zinc/88/69/55/588886955.db2.gz JYUVQOUFVQHMJG-KGYLQXTDSA-N -2 3 331.376 0.891 20 0 ECADHL O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000834215625 588890130 /nfs/dbraw/zinc/89/01/30/588890130.db2.gz OMRSOGGWCIYPBF-MNOVXSKESA-N -2 3 342.421 0.934 20 0 ECADHL O=C([O-])Nc1cnc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000834279231 588893188 /nfs/dbraw/zinc/89/31/88/588893188.db2.gz QDTBTJDPBNEQMZ-UHFFFAOYSA-N -2 3 326.276 0.999 20 0 ECADHL O=C([O-])Nc1cnc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000834279231 588893190 /nfs/dbraw/zinc/89/31/90/588893190.db2.gz QDTBTJDPBNEQMZ-UHFFFAOYSA-N -2 3 326.276 0.999 20 0 ECADHL CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000800550176 586968530 /nfs/dbraw/zinc/96/85/30/586968530.db2.gz UQIAKKKGOPSFMC-UHFFFAOYSA-N -2 3 346.380 0.436 20 0 ECADHL CN1CC[C@@]2(CCN(S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])C2)C1 ZINC000906997054 587004440 /nfs/dbraw/zinc/00/44/40/587004440.db2.gz IDIZVYGLMMGSMY-OAHLLOKOSA-N -2 3 340.401 0.807 20 0 ECADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cc1F ZINC000817423063 587341684 /nfs/dbraw/zinc/34/16/84/587341684.db2.gz XZKBAPBVONZHBM-SNVBAGLBSA-N -2 3 337.300 0.242 20 0 ECADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820677530 587549859 /nfs/dbraw/zinc/54/98/59/587549859.db2.gz QVENDGIVFKWVPA-LDYMZIIASA-N -2 3 337.361 0.239 20 0 ECADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820677530 587549861 /nfs/dbraw/zinc/54/98/61/587549861.db2.gz QVENDGIVFKWVPA-LDYMZIIASA-N -2 3 337.361 0.239 20 0 ECADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)cn1C ZINC000821247099 587579647 /nfs/dbraw/zinc/57/96/47/587579647.db2.gz FZMJLWMOAAKYJF-GXSJLCMTSA-N -2 3 333.410 0.257 20 0 ECADHL O=C(CCc1cscn1)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000821589132 587602702 /nfs/dbraw/zinc/60/27/02/587602702.db2.gz YTIZXPIMCWUTNY-UHFFFAOYSA-N -2 3 337.386 0.852 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CSCCS1 ZINC000821588809 587602908 /nfs/dbraw/zinc/60/29/08/587602908.db2.gz JSWOJBYHWGVXSA-JTQLQIEISA-N -2 3 344.443 0.611 20 0 ECADHL COCCS(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000821694443 587624337 /nfs/dbraw/zinc/62/43/37/587624337.db2.gz NGNHAWPJGHAZJV-UHFFFAOYSA-N -2 3 326.382 0.321 20 0 ECADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(F)c1 ZINC000822267231 587650586 /nfs/dbraw/zinc/65/05/86/587650586.db2.gz PDPAJDFEPHHWRG-UHFFFAOYSA-N -2 3 337.340 0.849 20 0 ECADHL O=C([N-]S(=O)(=O)CC(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823284113 587714135 /nfs/dbraw/zinc/71/41/35/587714135.db2.gz CXWCOFVFTXIJRG-UHFFFAOYSA-N -2 3 341.296 0.550 20 0 ECADHL O=C([N-]S(=O)(=O)CC(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823284113 587714136 /nfs/dbraw/zinc/71/41/36/587714136.db2.gz CXWCOFVFTXIJRG-UHFFFAOYSA-N -2 3 341.296 0.550 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000823285501 587714463 /nfs/dbraw/zinc/71/44/63/587714463.db2.gz UOYQVEDDBPBGBK-NWDGAFQWSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000823285501 587714464 /nfs/dbraw/zinc/71/44/64/587714464.db2.gz UOYQVEDDBPBGBK-NWDGAFQWSA-N -2 3 333.373 0.718 20 0 ECADHL O=S(=O)([N-]CC(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823572222 587731237 /nfs/dbraw/zinc/73/12/37/587731237.db2.gz FBSJFAAOSRLJLF-UHFFFAOYSA-N -2 3 325.247 0.688 20 0 ECADHL O=S(=O)([N-]CC(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572222 587731239 /nfs/dbraw/zinc/73/12/39/587731239.db2.gz FBSJFAAOSRLJLF-UHFFFAOYSA-N -2 3 325.247 0.688 20 0 ECADHL CC(C)(CNC(=O)[O-])NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000823996984 587847439 /nfs/dbraw/zinc/84/74/39/587847439.db2.gz HKEKAOGVHXIJCF-MRXNPFEDSA-N -2 3 348.359 0.517 20 0 ECADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824119876 587856015 /nfs/dbraw/zinc/85/60/15/587856015.db2.gz RTERNTQMPWFVKQ-UHFFFAOYSA-N -2 3 339.377 0.487 20 0 ECADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824119876 587856017 /nfs/dbraw/zinc/85/60/17/587856017.db2.gz RTERNTQMPWFVKQ-UHFFFAOYSA-N -2 3 339.377 0.487 20 0 ECADHL C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000824544944 587879701 /nfs/dbraw/zinc/87/97/01/587879701.db2.gz UAOLIMVKJIJGFT-DGCLKSJQSA-N -2 3 335.408 0.947 20 0 ECADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(C(=O)[O-])CCC1 ZINC000824745117 587892208 /nfs/dbraw/zinc/89/22/08/587892208.db2.gz MSYIJTPQDYAZJK-VIFPVBQESA-N -2 3 331.332 0.758 20 0 ECADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(C(=O)[O-])CCC1 ZINC000824745117 587892210 /nfs/dbraw/zinc/89/22/10/587892210.db2.gz MSYIJTPQDYAZJK-VIFPVBQESA-N -2 3 331.332 0.758 20 0 ECADHL C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000824967756 587905921 /nfs/dbraw/zinc/90/59/21/587905921.db2.gz VQABVIJZMVBMOE-XXFAHNHDSA-N -2 3 348.359 0.469 20 0 ECADHL C[C@H](COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)NC(=O)[O-] ZINC000824981635 587907927 /nfs/dbraw/zinc/90/79/27/587907927.db2.gz ZKANSTQVXMJKLL-HTQZYQBOSA-N -2 3 336.391 0.614 20 0 ECADHL C[C@H](COC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)NC(=O)[O-] ZINC000824981639 587907978 /nfs/dbraw/zinc/90/79/78/587907978.db2.gz ZKANSTQVXMJKLL-SFYZADRCSA-N -2 3 336.391 0.614 20 0 ECADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825075501 587915629 /nfs/dbraw/zinc/91/56/29/587915629.db2.gz OPYZMICFIVHIRV-SECBINFHSA-N -2 3 339.377 0.487 20 0 ECADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825075501 587915631 /nfs/dbraw/zinc/91/56/31/587915631.db2.gz OPYZMICFIVHIRV-SECBINFHSA-N -2 3 339.377 0.487 20 0 ECADHL C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCO1 ZINC000825335490 587933235 /nfs/dbraw/zinc/93/32/35/587933235.db2.gz NWTPXLCKFBEOKB-UFBFGSQYSA-N -2 3 347.327 0.067 20 0 ECADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1 ZINC000826037516 587983550 /nfs/dbraw/zinc/98/35/50/587983550.db2.gz AEDDMIJUAQCXIX-OIBJUYFYSA-N -2 3 332.316 0.662 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000826174369 588005158 /nfs/dbraw/zinc/00/51/58/588005158.db2.gz UGUPEYXNINWUHE-JTQLQIEISA-N -2 3 347.331 0.187 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000826174369 588005160 /nfs/dbraw/zinc/00/51/60/588005160.db2.gz UGUPEYXNINWUHE-JTQLQIEISA-N -2 3 347.331 0.187 20 0 ECADHL CS[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826224709 588012048 /nfs/dbraw/zinc/01/20/48/588012048.db2.gz KKNBOSDTBWZARV-QMMMGPOBSA-N -2 3 341.418 0.813 20 0 ECADHL CS[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826224709 588012050 /nfs/dbraw/zinc/01/20/50/588012050.db2.gz KKNBOSDTBWZARV-QMMMGPOBSA-N -2 3 341.418 0.813 20 0 ECADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)n1 ZINC000826338125 588027819 /nfs/dbraw/zinc/02/78/19/588027819.db2.gz LNTKEQQGEBEOPJ-QMMMGPOBSA-N -2 3 349.376 0.906 20 0 ECADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)n1 ZINC000826338125 588027821 /nfs/dbraw/zinc/02/78/21/588027821.db2.gz LNTKEQQGEBEOPJ-QMMMGPOBSA-N -2 3 349.376 0.906 20 0 ECADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]OCc1cccnc1 ZINC000826418880 588045550 /nfs/dbraw/zinc/04/55/50/588045550.db2.gz ZZAVCDYKOYGTPX-UHFFFAOYSA-N -2 3 326.316 0.889 20 0 ECADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]OCc1cccnc1 ZINC000826418880 588045552 /nfs/dbraw/zinc/04/55/52/588045552.db2.gz ZZAVCDYKOYGTPX-UHFFFAOYSA-N -2 3 326.316 0.889 20 0 ECADHL O=C([N-]S(=O)(=O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450065 588052504 /nfs/dbraw/zinc/05/25/04/588052504.db2.gz VVWUZINBSXJOAG-UHFFFAOYSA-N -2 3 346.372 0.497 20 0 ECADHL O=C([N-]S(=O)(=O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450065 588052507 /nfs/dbraw/zinc/05/25/07/588052507.db2.gz VVWUZINBSXJOAG-UHFFFAOYSA-N -2 3 346.372 0.497 20 0 ECADHL O=C([O-])CCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826461388 588053940 /nfs/dbraw/zinc/05/39/40/588053940.db2.gz RZQKDFUOGLXGLF-UHFFFAOYSA-N -2 3 329.313 0.149 20 0 ECADHL O=C([O-])CCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826461388 588053942 /nfs/dbraw/zinc/05/39/42/588053942.db2.gz RZQKDFUOGLXGLF-UHFFFAOYSA-N -2 3 329.313 0.149 20 0 ECADHL O=S(=O)([N-]C[C@H](O)C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826489292 588060842 /nfs/dbraw/zinc/06/08/42/588060842.db2.gz LVOLHSZBJNISME-JTQLQIEISA-N -2 3 345.331 0.194 20 0 ECADHL O=S(=O)([N-]C[C@H](O)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489292 588060844 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346.343 0.376 20 0 ECADHL CC(C)(CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]C(C)(C)CO ZINC000003151942 588932803 /nfs/dbraw/zinc/93/28/03/588932803.db2.gz GENQOYYWTCWFET-UHFFFAOYSA-N -2 3 332.294 0.031 20 0 ECADHL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1 ZINC000837297093 588948475 /nfs/dbraw/zinc/94/84/75/588948475.db2.gz YWJVTEZYPYEPDS-MRVPVSSYSA-N -2 3 335.309 0.183 20 0 ECADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2c[nH]nc2Cl)nn1 ZINC000840798622 588973325 /nfs/dbraw/zinc/97/33/25/588973325.db2.gz CBZZJBNEIJAAIV-UHFFFAOYSA-N -2 3 348.772 0.112 20 0 ECADHL COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000840892171 586286148 /nfs/dbraw/zinc/28/61/48/586286148.db2.gz WRCOXPLOVWLOKD-CYBMUJFWSA-N -2 3 335.353 0.590 20 0 ECADHL C[C@H](C(=O)NCc1nc([O-])cc(=O)[n-]1)N1CCc2ccccc2C1 ZINC000898751199 586447967 /nfs/dbraw/zinc/44/79/67/586447967.db2.gz KPXZNZYIYFZLBZ-LLVKDONJSA-N -2 3 328.372 0.951 20 0 ECADHL Cc1cn[nH]c1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000903409281 586775471 /nfs/dbraw/zinc/77/54/71/586775471.db2.gz UMULSOFCMFBHMU-WCBMZHEXSA-N -2 3 334.298 0.814 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)c1cn(CC2CC2)nn1 ZINC000838913397 586828455 /nfs/dbraw/zinc/82/84/55/586828455.db2.gz RCWXKGXLBQLWHO-UHFFFAOYSA-N -2 3 347.360 0.078 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@H]1CCCSC1 ZINC000838913963 586829321 /nfs/dbraw/zinc/82/93/21/586829321.db2.gz YADNRXRQDSKAEH-QMMMGPOBSA-N -2 3 326.403 0.906 20 0 ECADHL O=C([O-])c1cccc(S(=O)(=O)[N-]CCN2CCCOCC2)c1F ZINC000905206002 586878550 /nfs/dbraw/zinc/87/85/50/586878550.db2.gz KRWNODSGBDYGNL-UHFFFAOYSA-N -2 3 346.380 0.525 20 0 ECADHL CN1C[C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])C[C@]2(C)C1 ZINC000907114476 587015530 /nfs/dbraw/zinc/01/55/30/587015530.db2.gz VLMQXSSOLCBWRK-ABAIWWIYSA-N -2 3 340.401 0.663 20 0 ECADHL CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1 ZINC000816733911 587321979 /nfs/dbraw/zinc/32/19/79/587321979.db2.gz QQBALGPLMRLELK-UHFFFAOYSA-N -2 3 346.752 0.520 20 0 ECADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000819158008 587470883 /nfs/dbraw/zinc/47/08/83/587470883.db2.gz BWNWVRVZGOMEPZ-UHFFFAOYSA-N -2 3 330.391 0.845 20 0 ECADHL CC(C)(C)n1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)N2CCCC2)n1 ZINC000819971744 587500004 /nfs/dbraw/zinc/50/00/04/587500004.db2.gz RXWGXWXONBMXGE-UHFFFAOYSA-N -2 3 340.413 0.571 20 0 ECADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)N2CCCC2)n1 ZINC000819971744 587500006 /nfs/dbraw/zinc/50/00/06/587500006.db2.gz RXWGXWXONBMXGE-UHFFFAOYSA-N -2 3 340.413 0.571 20 0 ECADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000820368985 587530379 /nfs/dbraw/zinc/53/03/79/587530379.db2.gz CRXOZMPNMOSPSC-UHFFFAOYSA-N -2 3 347.393 0.817 20 0 ECADHL C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820384485 587531416 /nfs/dbraw/zinc/53/14/16/587531416.db2.gz GKJYIKSWFIJBCH-MRVPVSSYSA-N -2 3 341.331 0.157 20 0 ECADHL C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820384485 587531418 /nfs/dbraw/zinc/53/14/18/587531418.db2.gz GKJYIKSWFIJBCH-MRVPVSSYSA-N -2 3 341.331 0.157 20 0 ECADHL O=C([O-])CSCC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000821536305 587599172 /nfs/dbraw/zinc/59/91/72/587599172.db2.gz CICZKWOIQIVMMI-SNVBAGLBSA-N -2 3 337.357 0.193 20 0 ECADHL Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822486656 587662262 /nfs/dbraw/zinc/66/22/62/587662262.db2.gz RKHJCTAAWIZUKH-UHFFFAOYSA-N -2 3 341.331 0.744 20 0 ECADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000822622970 587669873 /nfs/dbraw/zinc/66/98/73/587669873.db2.gz MLZXQGQFXSBXCS-UHFFFAOYSA-N -3 3 349.332 0.099 20 0 ECADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)CCCF ZINC000823078869 587700975 /nfs/dbraw/zinc/70/09/75/587700975.db2.gz VUATVBIQCDFSMB-UHFFFAOYSA-N -2 3 327.341 0.215 20 0 ECADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)CCCF ZINC000823078869 587700977 /nfs/dbraw/zinc/70/09/77/587700977.db2.gz VUATVBIQCDFSMB-UHFFFAOYSA-N -2 3 327.341 0.215 20 0 ECADHL CC(C)(CNC(=O)[O-])C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000823951455 587845569 /nfs/dbraw/zinc/84/55/69/587845569.db2.gz JJWYQZHURXVXIY-UHFFFAOYSA-N -2 3 349.387 0.970 20 0 ECADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824052317 587851459 /nfs/dbraw/zinc/85/14/59/587851459.db2.gz MXATUAUMHSIHCS-LURJTMIESA-N -2 3 345.768 0.614 20 0 ECADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824052317 587851462 /nfs/dbraw/zinc/85/14/62/587851462.db2.gz MXATUAUMHSIHCS-LURJTMIESA-N -2 3 345.768 0.614 20 0 ECADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824053102 587851507 /nfs/dbraw/zinc/85/15/07/587851507.db2.gz UWDBBAYUANBMDT-RXMQYKEDSA-N -2 3 347.303 0.239 20 0 ECADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824053102 587851509 /nfs/dbraw/zinc/85/15/09/587851509.db2.gz UWDBBAYUANBMDT-RXMQYKEDSA-N -2 3 347.303 0.239 20 0 ECADHL CC(C)[C@H](CCN(C)C(=O)CC[C@@H]1NC(=O)[N-]C1=O)NC(=O)[O-] ZINC000824079770 587853529 /nfs/dbraw/zinc/85/35/29/587853529.db2.gz UUPCIFKEWCBXHK-UWVGGRQHSA-N -2 3 328.369 0.115 20 0 ECADHL C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824698740 587888175 /nfs/dbraw/zinc/88/81/75/587888175.db2.gz NYZMOFOVGXCYIJ-BQBZGAKWSA-N -2 3 347.347 0.583 20 0 ECADHL C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824698740 587888176 /nfs/dbraw/zinc/88/81/76/587888176.db2.gz NYZMOFOVGXCYIJ-BQBZGAKWSA-N -2 3 347.347 0.583 20 0 ECADHL C[C@@H](O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824697811 587888182 /nfs/dbraw/zinc/88/81/82/587888182.db2.gz GLMNGYVQCIBJID-ZCFIWIBFSA-N -2 3 333.320 0.194 20 0 ECADHL C[C@@H](O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824697811 587888183 /nfs/dbraw/zinc/88/81/83/587888183.db2.gz GLMNGYVQCIBJID-ZCFIWIBFSA-N -2 3 333.320 0.194 20 0 ECADHL C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000824727597 587890497 /nfs/dbraw/zinc/89/04/97/587890497.db2.gz BYDWOYSTOOAIAJ-SNVBAGLBSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000824727597 587890498 /nfs/dbraw/zinc/89/04/98/587890498.db2.gz BYDWOYSTOOAIAJ-SNVBAGLBSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@H](COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F)NC(=O)[O-] ZINC000824979669 587907561 /nfs/dbraw/zinc/90/75/61/587907561.db2.gz FIXFCBKSXGUYLS-RKDXNWHRSA-N -2 3 348.352 0.692 20 0 ECADHL CCC[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825248607 587926716 /nfs/dbraw/zinc/92/67/16/587926716.db2.gz WUHCPCIGOIYTHW-QMMMGPOBSA-N -2 3 347.347 0.584 20 0 ECADHL CCC[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825248607 587926718 /nfs/dbraw/zinc/92/67/18/587926718.db2.gz WUHCPCIGOIYTHW-QMMMGPOBSA-N -2 3 347.347 0.584 20 0 ECADHL CCCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000825307484 587930526 /nfs/dbraw/zinc/93/05/26/587930526.db2.gz AZRNDXFJKSVPGH-JTQLQIEISA-N -2 3 333.348 0.957 20 0 ECADHL CCCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825307484 587930528 /nfs/dbraw/zinc/93/05/28/587930528.db2.gz AZRNDXFJKSVPGH-JTQLQIEISA-N -2 3 333.348 0.957 20 0 ECADHL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000825377692 587936442 /nfs/dbraw/zinc/93/64/42/587936442.db2.gz IYBKWWVWNPNFHD-SKDRFNHKSA-N -2 3 348.359 0.620 20 0 ECADHL COc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000826181164 588006381 /nfs/dbraw/zinc/00/63/81/588006381.db2.gz NDSXRVVSLRCDDK-UHFFFAOYSA-N -2 3 333.333 0.466 20 0 ECADHL COc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000826181164 588006383 /nfs/dbraw/zinc/00/63/83/588006383.db2.gz NDSXRVVSLRCDDK-UHFFFAOYSA-N -2 3 333.333 0.466 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000826249486 588016181 /nfs/dbraw/zinc/01/61/81/588016181.db2.gz FNDWIOSDYUATCK-UHFFFAOYSA-N -2 3 345.344 0.084 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000826249486 588016183 /nfs/dbraw/zinc/01/61/83/588016183.db2.gz FNDWIOSDYUATCK-UHFFFAOYSA-N -2 3 345.344 0.084 20 0 ECADHL Cc1[nH]nc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1-c1nnn[n-]1 ZINC000826322648 588024838 /nfs/dbraw/zinc/02/48/38/588024838.db2.gz VGERAMGMHYFZOA-UHFFFAOYSA-N -2 3 337.369 0.476 20 0 ECADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)n1 ZINC000826338124 588026843 /nfs/dbraw/zinc/02/68/43/588026843.db2.gz LNTKEQQGEBEOPJ-MRVPVSSYSA-N -2 3 349.376 0.906 20 0 ECADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)n1 ZINC000826338124 588026845 /nfs/dbraw/zinc/02/68/45/588026845.db2.gz LNTKEQQGEBEOPJ-MRVPVSSYSA-N -2 3 349.376 0.906 20 0 ECADHL O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826449925 588052491 /nfs/dbraw/zinc/05/24/91/588052491.db2.gz PBASQPUITHYQCT-NSHDSACASA-N -2 3 337.361 0.105 20 0 ECADHL O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826449925 588052493 /nfs/dbraw/zinc/05/24/93/588052493.db2.gz PBASQPUITHYQCT-NSHDSACASA-N -2 3 337.361 0.105 20 0 ECADHL O=C([N-]CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000826463880 588054455 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/nfs/dbraw/zinc/68/08/02/579680802.db2.gz UIAOTYFXDPMELG-UHFFFAOYSA-N -2 3 327.358 0.757 20 0 ECADHL O=C([O-])CSCc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000739872134 579720417 /nfs/dbraw/zinc/72/04/17/579720417.db2.gz GSLIYAJNORTBDS-UHFFFAOYSA-N -2 3 337.357 0.495 20 0 ECADHL COc1ccc(C(=O)[N-]C(=O)CN2CCCN(C(=O)[O-])CC2)cc1 ZINC000739880668 579720665 /nfs/dbraw/zinc/72/06/65/579720665.db2.gz CFWDCESKUIDCPO-UHFFFAOYSA-N -2 3 335.360 0.637 20 0 ECADHL Cc1ccc(C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)cc1NC(=O)[O-] ZINC000740104796 579729642 /nfs/dbraw/zinc/72/96/42/579729642.db2.gz DJNLBXHAQOMQLF-OAHLLOKOSA-N -2 3 332.316 0.509 20 0 ECADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCN1C(=O)[O-] ZINC000740247287 579734248 /nfs/dbraw/zinc/73/42/48/579734248.db2.gz WQELAYQXBNZKEY-MRVPVSSYSA-N -2 3 336.801 0.803 20 0 ECADHL O=C([O-])NCCc1ccc(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000740671569 579758883 /nfs/dbraw/zinc/75/88/83/579758883.db2.gz RNDWAPVOIZGVJM-LBPRGKRZSA-N -2 3 348.359 0.101 20 0 ECADHL O=C([O-])N1CC[C@H](C(=O)Oc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000834289423 588893810 /nfs/dbraw/zinc/89/38/10/588893810.db2.gz MDFTUTSQHMVHCJ-JQWIXIFHSA-N -2 3 347.327 0.342 20 0 ECADHL CCCO[N-]C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000834356756 588897316 /nfs/dbraw/zinc/89/73/16/588897316.db2.gz RFKHLTYGZFVMHR-UHFFFAOYSA-N -2 3 333.341 0.130 20 0 ECADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000837295979 588948434 /nfs/dbraw/zinc/94/84/34/588948434.db2.gz GPLXYNSBEYQAKQ-MRVPVSSYSA-N -2 3 334.300 0.411 20 0 ECADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000840896297 586307417 /nfs/dbraw/zinc/30/74/17/586307417.db2.gz HBNVQYWPGDXDCR-DTWKUNHWSA-N -2 3 344.364 0.765 20 0 ECADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000901821641 586715964 /nfs/dbraw/zinc/71/59/64/586715964.db2.gz GKGYVMRYORZVIS-DIFFPNOSSA-N -2 3 332.356 0.787 20 0 ECADHL COc1ccc(-n2cc([O-])c(C(=O)OCc3nc(=O)n(C)[n-]3)n2)cc1 ZINC000801366866 586992746 /nfs/dbraw/zinc/99/27/46/586992746.db2.gz XRKYBBMXIWAYAB-UHFFFAOYSA-N -2 3 345.315 0.365 20 0 ECADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC1CC1)C(=O)[O-] ZINC000806640810 587102169 /nfs/dbraw/zinc/10/21/69/587102169.db2.gz YKJHYYYMYIAAGR-SSDOTTSWSA-N -2 3 334.375 0.461 20 0 ECADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000819866646 587493853 /nfs/dbraw/zinc/49/38/53/587493853.db2.gz OOLGPALEDXAUQX-SECBINFHSA-N -2 3 335.389 0.859 20 0 ECADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000819866646 587493855 /nfs/dbraw/zinc/49/38/55/587493855.db2.gz OOLGPALEDXAUQX-SECBINFHSA-N -2 3 335.389 0.859 20 0 ECADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000819866648 587493895 /nfs/dbraw/zinc/49/38/95/587493895.db2.gz OOLGPALEDXAUQX-VIFPVBQESA-N -2 3 335.389 0.859 20 0 ECADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000819866648 587493897 /nfs/dbraw/zinc/49/38/97/587493897.db2.gz OOLGPALEDXAUQX-VIFPVBQESA-N -2 3 335.389 0.859 20 0 ECADHL CC(C)(C)[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000819898024 587496074 /nfs/dbraw/zinc/49/60/74/587496074.db2.gz BWTZVRWFLLWRBL-LBPRGKRZSA-N -2 3 333.348 0.861 20 0 ECADHL CC(C)(C)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000819898024 587496076 /nfs/dbraw/zinc/49/60/76/587496076.db2.gz BWTZVRWFLLWRBL-LBPRGKRZSA-N -2 3 333.348 0.861 20 0 ECADHL C[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820226360 587517789 /nfs/dbraw/zinc/51/77/89/587517789.db2.gz VBRZMSUNQXHFKL-MRVPVSSYSA-N -2 3 325.350 0.149 20 0 ECADHL C[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820226360 587517790 /nfs/dbraw/zinc/51/77/90/587517790.db2.gz VBRZMSUNQXHFKL-MRVPVSSYSA-N -2 3 325.350 0.149 20 0 ECADHL CCCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[nH]n1 ZINC000821138913 587574983 /nfs/dbraw/zinc/57/49/83/587574983.db2.gz KKJSGFFHGJRUGH-UHFFFAOYSA-N -2 3 334.365 0.738 20 0 ECADHL CCCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n[nH]1 ZINC000821138913 587574984 /nfs/dbraw/zinc/57/49/84/587574984.db2.gz KKJSGFFHGJRUGH-UHFFFAOYSA-N -2 3 334.365 0.738 20 0 ECADHL CCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[nH]n1 ZINC000821138913 587574985 /nfs/dbraw/zinc/57/49/85/587574985.db2.gz KKJSGFFHGJRUGH-UHFFFAOYSA-N -2 3 334.365 0.738 20 0 ECADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C ZINC000821245831 587579665 /nfs/dbraw/zinc/57/96/65/587579665.db2.gz AVIGWICEPFYBGJ-UWVGGRQHSA-N -2 3 334.394 0.820 20 0 ECADHL CCn1cnc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821566643 587600645 /nfs/dbraw/zinc/60/06/45/587600645.db2.gz NNWTYCKBHMEVEV-UHFFFAOYSA-N -2 3 349.376 0.893 20 0 ECADHL CCn1cnc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821566643 587600646 /nfs/dbraw/zinc/60/06/46/587600646.db2.gz NNWTYCKBHMEVEV-UHFFFAOYSA-N -2 3 349.376 0.893 20 0 ECADHL COCCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821689261 587622830 /nfs/dbraw/zinc/62/28/30/587622830.db2.gz SJZJSUOGGAUGHD-SNVBAGLBSA-N -2 3 349.347 0.194 20 0 ECADHL COCCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821689261 587622831 /nfs/dbraw/zinc/62/28/31/587622831.db2.gz SJZJSUOGGAUGHD-SNVBAGLBSA-N -2 3 349.347 0.194 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821956360 587638870 /nfs/dbraw/zinc/63/88/70/587638870.db2.gz MTYOHABXNLVKRL-WAYWQWQTSA-N -2 3 339.402 0.689 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821956360 587638871 /nfs/dbraw/zinc/63/88/71/587638871.db2.gz MTYOHABXNLVKRL-WAYWQWQTSA-N -2 3 339.402 0.689 20 0 ECADHL Cc1c(NC(=O)C(=O)[N-]OCC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822061848 587643313 /nfs/dbraw/zinc/64/33/13/587643313.db2.gz ZPBCBZIYOIKGTO-UHFFFAOYSA-N -2 3 344.253 0.724 20 0 ECADHL Cc1c(NC(=O)C(=O)[N-]OCC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822061848 587643315 /nfs/dbraw/zinc/64/33/15/587643315.db2.gz ZPBCBZIYOIKGTO-UHFFFAOYSA-N -2 3 344.253 0.724 20 0 ECADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822241209 587649752 /nfs/dbraw/zinc/64/97/52/587649752.db2.gz OLYRHMQREXOLAM-UHFFFAOYSA-N -2 3 337.340 0.849 20 0 ECADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822454621 587660762 /nfs/dbraw/zinc/66/07/62/587660762.db2.gz ZKICOQNHJIZXEP-UHFFFAOYSA-N -2 3 343.303 0.394 20 0 ECADHL Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)N2CCCCCC2)n1 ZINC000822619854 587669721 /nfs/dbraw/zinc/66/97/21/587669721.db2.gz IHOBDIXNWHNADG-UHFFFAOYSA-N -2 3 326.386 0.133 20 0 ECADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)N2CCCCCC2)n1 ZINC000822619854 587669723 /nfs/dbraw/zinc/66/97/23/587669723.db2.gz IHOBDIXNWHNADG-UHFFFAOYSA-N -2 3 326.386 0.133 20 0 ECADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000822622787 587669793 /nfs/dbraw/zinc/66/97/93/587669793.db2.gz IYLZNNFALYFPKK-UHFFFAOYSA-N -2 3 341.303 0.679 20 0 ECADHL Cn1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822684935 587674603 /nfs/dbraw/zinc/67/46/03/587674603.db2.gz MRHVUCCCUDDDRD-UHFFFAOYSA-N -2 3 332.345 0.324 20 0 ECADHL Cn1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822684935 587674605 /nfs/dbraw/zinc/67/46/05/587674605.db2.gz MRHVUCCCUDDDRD-UHFFFAOYSA-N -2 3 332.345 0.324 20 0 ECADHL O=C(CCC(=O)N1CCOCC1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822945283 587692569 /nfs/dbraw/zinc/69/25/69/587692569.db2.gz AAPKDKRYZPFROE-UHFFFAOYSA-N -2 3 346.347 0.150 20 0 ECADHL O=C([O-])c1ccc(CNC(=O)COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823036520 587698477 /nfs/dbraw/zinc/69/84/77/587698477.db2.gz FKJCZNXCMMVLCK-UHFFFAOYSA-N -2 3 343.299 0.853 20 0 ECADHL O=C([O-])c1ccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823036520 587698479 /nfs/dbraw/zinc/69/84/79/587698479.db2.gz FKJCZNXCMMVLCK-UHFFFAOYSA-N -2 3 343.299 0.853 20 0 ECADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823556910 587729784 /nfs/dbraw/zinc/72/97/84/587729784.db2.gz BGJUVXGEABJYSH-VIFPVBQESA-N -3 3 325.350 0.493 20 0 ECADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000824029851 587849612 /nfs/dbraw/zinc/84/96/12/587849612.db2.gz RJCKMVPIWVNIBW-UHFFFAOYSA-N -2 3 333.333 0.593 20 0 ECADHL CC(C)[C@H](CCN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1N)NC(=O)[O-] ZINC000824092328 587854517 /nfs/dbraw/zinc/85/45/17/587854517.db2.gz PWIPUWAQXBPEEN-ZETCQYMHSA-N -2 3 327.341 0.224 20 0 ECADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824385417 587871731 /nfs/dbraw/zinc/87/17/31/587871731.db2.gz SJOQJVILBPENHJ-ZCFIWIBFSA-N -2 3 329.313 0.147 20 0 ECADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824385417 587871733 /nfs/dbraw/zinc/87/17/33/587871733.db2.gz SJOQJVILBPENHJ-ZCFIWIBFSA-N -2 3 329.313 0.147 20 0 ECADHL C[C@@H](CN(C(=O)COc1ccc(-c2nnn[n-]2)cc1)C1CC1)C(=O)[O-] ZINC000824413098 587873396 /nfs/dbraw/zinc/87/33/96/587873396.db2.gz JLVMJLKZTZEJMH-JTQLQIEISA-N -2 3 345.359 0.957 20 0 ECADHL C[C@@H](CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1)C(=O)[O-] ZINC000824413098 587873397 /nfs/dbraw/zinc/87/33/97/587873397.db2.gz JLVMJLKZTZEJMH-JTQLQIEISA-N -2 3 345.359 0.957 20 0 ECADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)OCCN(C)C(=O)[O-] ZINC000825502872 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/nfs/dbraw/zinc/64/60/86/579646086.db2.gz LPOWUHJXWPLMLT-GFCCVEGCSA-N -2 3 345.355 0.468 20 0 ECADHL Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)CC2 ZINC000738882505 579653717 /nfs/dbraw/zinc/65/37/17/579653717.db2.gz YQULBZFAOAESAC-SECBINFHSA-N -2 3 342.402 0.640 20 0 ECADHL C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1[O-])N1CCN(C)CC1 ZINC000738941586 579657930 /nfs/dbraw/zinc/65/79/30/579657930.db2.gz WRLHOHQRTBWUCI-NSHDSACASA-N -2 3 336.392 0.848 20 0 ECADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739036324 579662555 /nfs/dbraw/zinc/66/25/55/579662555.db2.gz COIZAWDNHPOGHT-IUCAKERBSA-N -2 3 347.418 0.283 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC(C)(C)CNC(=O)[O-] ZINC000739040456 579662785 /nfs/dbraw/zinc/66/27/85/579662785.db2.gz RJJOPKQLSRSZCF-MRVPVSSYSA-N -2 3 349.434 0.577 20 0 ECADHL C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000739100278 579666489 /nfs/dbraw/zinc/66/64/89/579666489.db2.gz MKZTZRSKTDVHSD-VFZGTOFNSA-N -2 3 338.364 0.432 20 0 ECADHL CCN(CC[N-]S(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000739433834 579686814 /nfs/dbraw/zinc/68/68/14/579686814.db2.gz GFNUHOKVEPWSNG-UHFFFAOYSA-N -2 3 336.391 0.813 20 0 ECADHL CC[C@H](NC(=O)[O-])C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000739531135 579693063 /nfs/dbraw/zinc/69/30/63/579693063.db2.gz PSGCKPMHQOTFEY-ZUZCIYMTSA-N -2 3 334.332 0.726 20 0 ECADHL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000739722733 579705570 /nfs/dbraw/zinc/70/55/70/579705570.db2.gz XZSQIWOEGWTTDJ-NSHDSACASA-N -2 3 346.339 0.666 20 0 ECADHL COC(=O)Cc1n[n-]c(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)n1 ZINC000739768225 579711636 /nfs/dbraw/zinc/71/16/36/579711636.db2.gz KGHKBVAWWYICJD-LLVKDONJSA-N -2 3 333.304 0.468 20 0 ECADHL COC(=O)Cc1nnc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)[n-]1 ZINC000739768225 579711638 /nfs/dbraw/zinc/71/16/38/579711638.db2.gz KGHKBVAWWYICJD-LLVKDONJSA-N -2 3 333.304 0.468 20 0 ECADHL COC(=O)Cc1nc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)n[n-]1 ZINC000739768225 579711639 /nfs/dbraw/zinc/71/16/39/579711639.db2.gz KGHKBVAWWYICJD-LLVKDONJSA-N -2 3 333.304 0.468 20 0 ECADHL COc1cc(F)c(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)cc1OC ZINC000739866727 579720054 /nfs/dbraw/zinc/72/00/54/579720054.db2.gz KGGOYEMUTNQUKA-UHFFFAOYSA-N -2 3 334.325 0.483 20 0 ECADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCN(C(=O)[O-])C1 ZINC000739997486 579726468 /nfs/dbraw/zinc/72/64/68/579726468.db2.gz IFPABNCXDMYFJN-VIFPVBQESA-N -2 3 348.402 0.121 20 0 ECADHL Cc1nc(S(=O)(=O)[N-]C[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])cn1C ZINC000740221090 579732931 /nfs/dbraw/zinc/73/29/31/579732931.db2.gz TZHJIVBLINTZJD-PSASIEDQSA-N -2 3 346.409 0.510 20 0 ECADHL O=C([O-])N(CCNC(=O)C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000740377339 579743359 /nfs/dbraw/zinc/74/33/59/579743359.db2.gz YUWMHUCCCNVGDD-UHFFFAOYSA-N -2 3 347.418 0.285 20 0 ECADHL O=C([O-])NC1(CNC(=O)CN2CC(=O)[N-]C2=O)CCCCCC1 ZINC000740546386 579752353 /nfs/dbraw/zinc/75/23/53/579752353.db2.gz WMUIFSCYHVBLRU-UHFFFAOYSA-N -2 3 326.353 0.015 20 0 ECADHL O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000740621848 579755830 /nfs/dbraw/zinc/75/58/30/579755830.db2.gz DJEBDWBOPYZWNE-JOYOIKCWSA-N -2 3 331.328 0.736 20 0 ECADHL O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000740731634 579760872 /nfs/dbraw/zinc/76/08/72/579760872.db2.gz TWAQNVUNSCDZJL-QWRGUYRKSA-N -2 3 338.364 0.062 20 0 ECADHL CC(C)(O)C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]CC(C)(C)O ZINC000743766673 579802017 /nfs/dbraw/zinc/80/20/17/579802017.db2.gz TVLBCTFUISDULI-UHFFFAOYSA-N -2 3 332.294 0.031 20 0 ECADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000841421347 588987646 /nfs/dbraw/zinc/98/76/46/588987646.db2.gz HYJIXDYPVYHYGZ-UHFFFAOYSA-N -2 3 343.261 0.771 20 0 ECADHL O=C1[N-]C(=O)C2(CN(Cc3cccc([O-])c3Br)C2)N1 ZINC000897904306 586380578 /nfs/dbraw/zinc/38/05/78/586380578.db2.gz ZSPFYAOMHXCCFH-UHFFFAOYSA-N -2 3 326.150 0.549 20 0 ECADHL CO[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000899934873 586514112 /nfs/dbraw/zinc/51/41/12/586514112.db2.gz MUMCCHVLLNWGHR-FWOIEVBISA-N -2 3 327.280 0.870 20 0 ECADHL CCN1CCN(S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2[O-])CC1 ZINC000906791856 586984421 /nfs/dbraw/zinc/98/44/21/586984421.db2.gz YHTLIJBXNXUASY-UHFFFAOYSA-N -2 3 328.390 0.725 20 0 ECADHL CCN(c1ccc(NC(=O)c2c([O-])[nH]c(=O)[n-]c2=O)cc1)C(C)C ZINC000809278577 587172862 /nfs/dbraw/zinc/17/28/62/587172862.db2.gz WGRVNDAUALXUAH-UHFFFAOYSA-N -2 3 332.360 0.842 20 0 ECADHL CC1=C([O-])N(C)S(=O)(=O)N1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000840209199 587202780 /nfs/dbraw/zinc/20/27/80/587202780.db2.gz XMDMIGUSWABDHY-JTQLQIEISA-N -2 3 348.384 0.757 20 0 ECADHL C[C@@]1(c2ccc(CNC(=O)NCCC(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000818084848 587401267 /nfs/dbraw/zinc/40/12/67/587401267.db2.gz DQMFKVZOLXTWBO-HNNXBMFYSA-N -2 3 334.332 0.015 20 0 ECADHL O=C([O-])c1cn([C@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)nn1 ZINC000818317735 587422400 /nfs/dbraw/zinc/42/24/00/587422400.db2.gz OSEQFLNMPTXRPJ-VIFPVBQESA-N -2 3 327.304 0.335 20 0 ECADHL COC(=O)c1sc2[n-]c(CN(C)[C@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000818528338 587437505 /nfs/dbraw/zinc/43/75/05/587437505.db2.gz WLZRPPOLDFHWPU-SSDOTTSWSA-N -2 3 339.373 0.985 20 0 ECADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000820289541 587524920 /nfs/dbraw/zinc/52/49/20/587524920.db2.gz XCHOINHLIDPHCJ-UHFFFAOYSA-N -2 3 338.711 0.256 20 0 ECADHL CCCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821088327 587572514 /nfs/dbraw/zinc/57/25/14/587572514.db2.gz LBEWNGPZRKPJKV-SNVBAGLBSA-N -2 3 333.348 0.957 20 0 ECADHL CCCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821088327 587572515 /nfs/dbraw/zinc/57/25/15/587572515.db2.gz LBEWNGPZRKPJKV-SNVBAGLBSA-N -2 3 333.348 0.957 20 0 ECADHL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)N2CCOCC2)c1 ZINC000821106639 587573479 /nfs/dbraw/zinc/57/34/79/587573479.db2.gz KYZLGBFCYOPBLG-UHFFFAOYSA-N -2 3 337.357 0.922 20 0 ECADHL CCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000821309293 587584193 /nfs/dbraw/zinc/58/41/93/587584193.db2.gz LZTZHKACLVVKNH-UHFFFAOYSA-N -2 3 348.392 0.833 20 0 ECADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000821309293 587584194 /nfs/dbraw/zinc/58/41/94/587584194.db2.gz LZTZHKACLVVKNH-UHFFFAOYSA-N -2 3 348.392 0.833 20 0 ECADHL CCOCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821373960 587589308 /nfs/dbraw/zinc/58/93/08/587589308.db2.gz PKBILEIXHBGMSV-UHFFFAOYSA-N -2 3 325.350 0.098 20 0 ECADHL CCOCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821373960 587589309 /nfs/dbraw/zinc/58/93/09/587589309.db2.gz PKBILEIXHBGMSV-UHFFFAOYSA-N -2 3 325.350 0.098 20 0 ECADHL CCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821427610 587592975 /nfs/dbraw/zinc/59/29/75/587592975.db2.gz WPLJERXRRUPRHA-UHFFFAOYSA-N -2 3 349.376 0.800 20 0 ECADHL CN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821622201 587606676 /nfs/dbraw/zinc/60/66/76/587606676.db2.gz WDEFMEFJFWWGHE-MRVPVSSYSA-N -2 3 344.347 0.127 20 0 ECADHL CN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821622201 587606677 /nfs/dbraw/zinc/60/66/77/587606677.db2.gz WDEFMEFJFWWGHE-MRVPVSSYSA-N -2 3 344.347 0.127 20 0 ECADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)s1 ZINC000822266800 587650691 /nfs/dbraw/zinc/65/06/91/587650691.db2.gz JJYBTIUOOPPJRN-UHFFFAOYSA-N -2 3 325.379 0.771 20 0 ECADHL Cc1cncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822399398 587657906 /nfs/dbraw/zinc/65/79/06/587657906.db2.gz GNEZTAJJPPEKPG-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL Cc1cncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822399398 587657908 /nfs/dbraw/zinc/65/79/08/587657908.db2.gz GNEZTAJJPPEKPG-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC000822623400 587670413 /nfs/dbraw/zinc/67/04/13/587670413.db2.gz VOLHZTNRGFNGLS-UHFFFAOYSA-N -2 3 347.360 0.336 20 0 ECADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000822645799 587671993 /nfs/dbraw/zinc/67/19/93/587671993.db2.gz PPWILIUEBNSTRV-UHFFFAOYSA-N -2 3 338.374 0.385 20 0 ECADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000822645799 587671995 /nfs/dbraw/zinc/67/19/95/587671995.db2.gz PPWILIUEBNSTRV-UHFFFAOYSA-N -2 3 338.374 0.385 20 0 ECADHL O=C(NCCCc1n[nH]c(=O)[n-]1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823196597 587709057 /nfs/dbraw/zinc/70/90/57/587709057.db2.gz IYWBFZRFVOHOLM-UHFFFAOYSA-N -2 3 329.324 0.445 20 0 ECADHL O=C(NCCCc1n[nH]c(=O)[n-]1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823196597 587709058 /nfs/dbraw/zinc/70/90/58/587709058.db2.gz IYWBFZRFVOHOLM-UHFFFAOYSA-N -2 3 329.324 0.445 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCCO1 ZINC000823284087 587714153 /nfs/dbraw/zinc/71/41/53/587714153.db2.gz CFBVVFNOKULLGO-NSHDSACASA-N -2 3 337.361 0.241 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCO1 ZINC000823284087 587714155 /nfs/dbraw/zinc/71/41/55/587714155.db2.gz CFBVVFNOKULLGO-NSHDSACASA-N -2 3 337.361 0.241 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCCO1 ZINC000823284761 587714556 /nfs/dbraw/zinc/71/45/56/587714556.db2.gz JFTIAQFNFBXGLE-NSHDSACASA-N -2 3 337.361 0.241 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCCO1 ZINC000823284761 587714557 /nfs/dbraw/zinc/71/45/57/587714557.db2.gz JFTIAQFNFBXGLE-NSHDSACASA-N -2 3 337.361 0.241 20 0 ECADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(-n2cncn2)nc1 ZINC000823294495 587714725 /nfs/dbraw/zinc/71/47/25/587714725.db2.gz CWGFFVXXNOGCAK-UHFFFAOYSA-N -2 3 349.314 0.800 20 0 ECADHL O=C([O-])CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000823387535 587719465 /nfs/dbraw/zinc/71/94/65/587719465.db2.gz ODEWJOWIVFVSKF-UHFFFAOYSA-N -2 3 331.332 0.573 20 0 ECADHL O=C([O-])CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000823387535 587719466 /nfs/dbraw/zinc/71/94/66/587719466.db2.gz ODEWJOWIVFVSKF-UHFFFAOYSA-N -2 3 331.332 0.573 20 0 ECADHL CC(C)(CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)NC(=O)[O-] ZINC000824001605 587847772 /nfs/dbraw/zinc/84/77/72/587847772.db2.gz JJRQETNEQWFNNE-MRXNPFEDSA-N -2 3 348.359 0.517 20 0 ECADHL C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824377611 587871321 /nfs/dbraw/zinc/87/13/21/587871321.db2.gz INFZHIUEZDVYHT-VIFPVBQESA-N -2 3 327.352 0.291 20 0 ECADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824384760 587871665 /nfs/dbraw/zinc/87/16/65/587871665.db2.gz HIQGWNSIECQMNC-LURJTMIESA-N -2 3 345.768 0.662 20 0 ECADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824384760 587871666 /nfs/dbraw/zinc/87/16/66/587871666.db2.gz HIQGWNSIECQMNC-LURJTMIESA-N -2 3 345.768 0.662 20 0 ECADHL C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000824731871 587891054 /nfs/dbraw/zinc/89/10/54/587891054.db2.gz ZKYDGCUSVDPEPU-ONGXEEELSA-N -2 3 331.332 0.567 20 0 ECADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000824731871 587891055 /nfs/dbraw/zinc/89/10/55/587891055.db2.gz ZKYDGCUSVDPEPU-ONGXEEELSA-N -2 3 331.332 0.567 20 0 ECADHL C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000824875030 587899891 /nfs/dbraw/zinc/89/98/91/587899891.db2.gz YNUJTUARLQGQFN-ABKXIKBNSA-N -2 3 348.359 0.926 20 0 ECADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825075502 587915780 /nfs/dbraw/zinc/91/57/80/587915780.db2.gz OPYZMICFIVHIRV-VIFPVBQESA-N -2 3 339.377 0.487 20 0 ECADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825075502 587915782 /nfs/dbraw/zinc/91/57/82/587915782.db2.gz OPYZMICFIVHIRV-VIFPVBQESA-N -2 3 339.377 0.487 20 0 ECADHL C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000825193671 587922019 /nfs/dbraw/zinc/92/20/19/587922019.db2.gz KGUCYWDSHXWQGX-RQJHMYQMSA-N -2 3 325.325 0.121 20 0 ECADHL C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1 ZINC000825271016 587928026 /nfs/dbraw/zinc/92/80/26/587928026.db2.gz DANSCXRJIFYHEE-ZJUUUORDSA-N -2 3 334.380 0.937 20 0 ECADHL C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCO1 ZINC000825335487 587933096 /nfs/dbraw/zinc/93/30/96/587933096.db2.gz NWTPXLCKFBEOKB-QPUJVOFHSA-N -2 3 347.327 0.067 20 0 ECADHL CCCS(=O)(=O)[N-]c1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825341675 587933531 /nfs/dbraw/zinc/93/35/31/587933531.db2.gz HQZOQCRXGQICGI-UHFFFAOYSA-N -2 3 348.392 0.658 20 0 ECADHL CCCS(=O)(=O)[N-]c1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825341675 587933532 /nfs/dbraw/zinc/93/35/32/587933532.db2.gz HQZOQCRXGQICGI-UHFFFAOYSA-N -2 3 348.392 0.658 20 0 ECADHL CN1CCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc21 ZINC000826044354 587984175 /nfs/dbraw/zinc/98/41/75/587984175.db2.gz DZTZKYKVNIYKBY-UHFFFAOYSA-N -2 3 346.376 0.383 20 0 ECADHL COCCn1[n-]c(C)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000826159498 588001885 /nfs/dbraw/zinc/00/18/85/588001885.db2.gz IFXVYGQZIIDCKN-LBPRGKRZSA-N -2 3 343.347 0.286 20 0 ECADHL COCCn1[n-]c(C)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000826159498 588001887 /nfs/dbraw/zinc/00/18/87/588001887.db2.gz IFXVYGQZIIDCKN-LBPRGKRZSA-N -2 3 343.347 0.286 20 0 ECADHL COCCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826157941 588001958 /nfs/dbraw/zinc/00/19/58/588001958.db2.gz SFEAVAPKYDIMAO-SNVBAGLBSA-N -2 3 349.347 0.194 20 0 ECADHL COCCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826157941 588001960 /nfs/dbraw/zinc/00/19/60/588001960.db2.gz SFEAVAPKYDIMAO-SNVBAGLBSA-N -2 3 349.347 0.194 20 0 ECADHL COc1ccc(CNC(=O)c2cncc([O-])c2)cc1-c1nnn[n-]1 ZINC000826201526 588009313 /nfs/dbraw/zinc/00/93/13/588009313.db2.gz UUXWUHYCYLYGAV-UHFFFAOYSA-N -2 3 326.316 0.906 20 0 ECADHL COc1ccc(CNC(=O)c2cncc([O-])c2)cc1-c1nn[n-]n1 ZINC000826201526 588009315 /nfs/dbraw/zinc/00/93/15/588009315.db2.gz UUXWUHYCYLYGAV-UHFFFAOYSA-N -2 3 326.316 0.906 20 0 ECADHL Cc1cc(C[N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC000826266877 588017891 /nfs/dbraw/zinc/01/78/91/588017891.db2.gz GBTOMOAEODLKKX-UHFFFAOYSA-N -2 3 338.324 0.781 20 0 ECADHL Cc1cc(C[N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)no1 ZINC000826266877 588017893 /nfs/dbraw/zinc/01/78/93/588017893.db2.gz GBTOMOAEODLKKX-UHFFFAOYSA-N -2 3 338.324 0.781 20 0 ECADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC000826301027 588021313 /nfs/dbraw/zinc/02/13/13/588021313.db2.gz PGRFMWFPTSCUIT-VIFPVBQESA-N -2 3 337.361 0.270 20 0 ECADHL Cc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC000826301027 588021315 /nfs/dbraw/zinc/02/13/15/588021315.db2.gz PGRFMWFPTSCUIT-VIFPVBQESA-N -2 3 337.361 0.270 20 0 ECADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826301663 588021404 /nfs/dbraw/zinc/02/14/04/588021404.db2.gz LTRQGZFRPGHILL-UHFFFAOYSA-N -2 3 332.345 0.622 20 0 ECADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826301663 588021406 /nfs/dbraw/zinc/02/14/06/588021406.db2.gz LTRQGZFRPGHILL-UHFFFAOYSA-N -2 3 332.345 0.622 20 0 ECADHL Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC000826301911 588021648 /nfs/dbraw/zinc/02/16/48/588021648.db2.gz UJFSHMWLNIPNOW-SECBINFHSA-N -2 3 337.361 0.413 20 0 ECADHL Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC000826301911 588021650 /nfs/dbraw/zinc/02/16/50/588021650.db2.gz UJFSHMWLNIPNOW-SECBINFHSA-N -2 3 337.361 0.413 20 0 ECADHL O=S(=O)([N-][C@@H](CO)C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826487445 588059824 /nfs/dbraw/zinc/05/98/24/588059824.db2.gz OVTCWNKSFBVIGB-JTQLQIEISA-N -2 3 345.331 0.194 20 0 ECADHL O=S(=O)([N-][C@@H](CO)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487445 588059826 /nfs/dbraw/zinc/05/98/26/588059826.db2.gz OVTCWNKSFBVIGB-JTQLQIEISA-N -2 3 345.331 0.194 20 0 ECADHL O=S(=O)([N-][C@H](CO)C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826487446 588060066 /nfs/dbraw/zinc/06/00/66/588060066.db2.gz OVTCWNKSFBVIGB-SNVBAGLBSA-N -2 3 345.331 0.194 20 0 ECADHL O=S(=O)([N-][C@H](CO)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487446 588060067 /nfs/dbraw/zinc/06/00/67/588060067.db2.gz OVTCWNKSFBVIGB-SNVBAGLBSA-N -2 3 345.331 0.194 20 0 ECADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000827379752 588116584 /nfs/dbraw/zinc/11/65/84/588116584.db2.gz KGXCHVCEPHMUJO-NSHDSACASA-N -2 3 344.371 0.544 20 0 ECADHL C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000827422363 588119936 /nfs/dbraw/zinc/11/99/36/588119936.db2.gz QSVBXSKBEMBFHA-ZETCQYMHSA-N -2 3 341.432 0.548 20 0 ECADHL CN(CCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-] ZINC000828329578 588172949 /nfs/dbraw/zinc/17/29/49/588172949.db2.gz HWXWGLGASCNVLC-HNNXBMFYSA-N -2 3 334.332 0.081 20 0 ECADHL CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000828562384 588190063 /nfs/dbraw/zinc/19/00/63/588190063.db2.gz OMQBEFKGIIWYIC-VIFPVBQESA-N -2 3 332.403 0.736 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)CNC(=O)[O-])ccc1F ZINC000828579661 588191087 /nfs/dbraw/zinc/19/10/87/588191087.db2.gz ORFQRRYGCRVXBK-UHFFFAOYSA-N -2 3 347.368 0.510 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)C[C@H](C)NC(=O)[O-])s1 ZINC000828584619 588191465 /nfs/dbraw/zinc/19/14/65/588191465.db2.gz FAODSXPTBZHFHU-ZETCQYMHSA-N -2 3 335.407 0.319 20 0 ECADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-] ZINC000828739727 588202139 /nfs/dbraw/zinc/20/21/39/588202139.db2.gz OMZGNPABQDXNBV-UHFFFAOYSA-N -2 3 348.352 0.937 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](C)NC(=O)[O-])oc1C ZINC000828761126 588203267 /nfs/dbraw/zinc/20/32/67/588203267.db2.gz OTXAHBBTDZGLIH-ZETCQYMHSA-N -2 3 334.350 0.699 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]C2CCN(C(=O)[O-])CC2)oc1C ZINC000828761438 588203410 /nfs/dbraw/zinc/20/34/10/588203410.db2.gz UQFRLENJCHTNSH-UHFFFAOYSA-N -2 3 346.361 0.795 20 0 ECADHL CCCc1c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)[nH]c(C)c1C(=O)[O-] ZINC000829555333 588329404 /nfs/dbraw/zinc/32/94/04/588329404.db2.gz BMHWXJRVWXORIE-JTQLQIEISA-N -2 3 348.359 0.350 20 0 ECADHL CC[S@@](=O)CC[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000830145703 588362534 /nfs/dbraw/zinc/36/25/34/588362534.db2.gz QZQZUBXVSPGVSS-HXUWFJFHSA-N -2 3 341.357 0.710 20 0 ECADHL Cc1nc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CNC(=O)[O-])cn1C ZINC000830773615 588385260 /nfs/dbraw/zinc/38/52/60/588385260.db2.gz BDTDEEWHMMNZCX-WDEREUQCSA-N -2 3 330.410 0.833 20 0 ECADHL Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C(=O)[O-])nc1Cl ZINC000831013985 588399236 /nfs/dbraw/zinc/39/92/36/588399236.db2.gz IEIWUXQXXIBYAJ-QMMMGPOBSA-N -2 3 336.801 0.884 20 0 ECADHL Cn1cc(S(=O)(=O)[N-]CCCN(C(=O)[O-])C2CC2)nc1Cl ZINC000831013843 588399325 /nfs/dbraw/zinc/39/93/25/588399325.db2.gz BIJKHDKBKWSMSX-UHFFFAOYSA-N -2 3 336.801 0.884 20 0 ECADHL O=C([N-]CC1CN(C(=O)c2cc3n[n-]nc3cc2F)C1)C(F)(F)F ZINC000831133799 588407700 /nfs/dbraw/zinc/40/77/00/588407700.db2.gz DNEAUQCCRPJUSQ-UHFFFAOYSA-N -2 3 345.256 0.848 20 0 ECADHL COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])c1cccs1 ZINC000831135170 588408203 /nfs/dbraw/zinc/40/82/03/588408203.db2.gz YOBCQZWURUNMTO-BDAKNGLRSA-N -2 3 335.403 0.992 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC[S@@](C)=O ZINC000831939898 588457724 /nfs/dbraw/zinc/45/77/24/588457724.db2.gz XZMBIEONXJBQJF-GOSISDBHSA-N -2 3 327.405 0.112 20 0 ECADHL O=C([O-])NC[C@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000832556852 588489070 /nfs/dbraw/zinc/48/90/70/588489070.db2.gz QPYIMJJJKHDADR-SECBINFHSA-N -2 3 332.316 0.834 20 0 ECADHL O=C([O-])NCc1nnnn1Cc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000832744966 588503202 /nfs/dbraw/zinc/50/32/02/588503202.db2.gz QVVSXRKKCNAODS-UHFFFAOYSA-N -2 3 347.360 0.688 20 0 ECADHL Cc1ccc(N2CC[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C2=O)cc1 ZINC000832936392 588510804 /nfs/dbraw/zinc/51/08/04/588510804.db2.gz GAVXSLOSCAGZOY-WCQYABFASA-N -2 3 340.401 0.740 20 0 ECADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC000833027767 588514922 /nfs/dbraw/zinc/51/49/22/588514922.db2.gz JEWXWPFSOGZPIZ-WPRPVWTQSA-N -2 3 330.362 0.609 20 0 ECADHL NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000833079587 588518716 /nfs/dbraw/zinc/51/87/16/588518716.db2.gz GVMARZYVDODYBF-KOLCDFICSA-N -2 3 344.364 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/nfs/dbraw/zinc/49/01/87/587490187.db2.gz LWKAZABVEGFWSG-JTQLQIEISA-N -2 3 348.355 0.910 20 0 ECADHL CC(C)N(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820534273 587539947 /nfs/dbraw/zinc/53/99/47/587539947.db2.gz KXMYUXXZZPHEST-JTQLQIEISA-N -2 3 333.348 0.956 20 0 ECADHL CC(C)N(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820534273 587539948 /nfs/dbraw/zinc/53/99/48/587539948.db2.gz KXMYUXXZZPHEST-JTQLQIEISA-N -2 3 333.348 0.956 20 0 ECADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000820542474 587540872 /nfs/dbraw/zinc/54/08/72/587540872.db2.gz OLXJEQNFHOUUDJ-VIFPVBQESA-N -2 3 333.348 0.861 20 0 ECADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000820542474 587540873 /nfs/dbraw/zinc/54/08/73/587540873.db2.gz OLXJEQNFHOUUDJ-VIFPVBQESA-N -2 3 333.348 0.861 20 0 ECADHL Cc1nc(S(=O)(=O)[N-]Cc2nc3cc(C(=O)[O-])ccc3[nH]2)c[nH]1 ZINC000821236892 587579184 /nfs/dbraw/zinc/57/91/84/587579184.db2.gz AKXJKSAGBASADI-UHFFFAOYSA-N -2 3 335.345 0.771 20 0 ECADHL CCOCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821373683 587589278 /nfs/dbraw/zinc/58/92/78/587589278.db2.gz KPHRGQVFBGLFDI-UHFFFAOYSA-N -2 3 339.377 0.239 20 0 ECADHL CCOCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821373683 587589279 /nfs/dbraw/zinc/58/92/79/587589279.db2.gz KPHRGQVFBGLFDI-UHFFFAOYSA-N -2 3 339.377 0.239 20 0 ECADHL CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)ccn1 ZINC000821589077 587602916 /nfs/dbraw/zinc/60/29/16/587602916.db2.gz WEUYQTSUYLOVRK-UHFFFAOYSA-N -2 3 346.372 0.538 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c[nH]1 ZINC000821668283 587617471 /nfs/dbraw/zinc/61/74/71/587617471.db2.gz YTVIQSIASLRHNI-UHFFFAOYSA-N -2 3 349.332 0.177 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c[nH]1 ZINC000821668283 587617473 /nfs/dbraw/zinc/61/74/73/587617473.db2.gz YTVIQSIASLRHNI-UHFFFAOYSA-N -2 3 349.332 0.177 20 0 ECADHL COC(C)(C)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821673469 587618112 /nfs/dbraw/zinc/61/81/12/587618112.db2.gz CCTWHGQUDLMZAY-UHFFFAOYSA-N -2 3 347.347 0.848 20 0 ECADHL COC(C)(C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821673469 587618113 /nfs/dbraw/zinc/61/81/13/587618113.db2.gz CCTWHGQUDLMZAY-UHFFFAOYSA-N -2 3 347.347 0.848 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821956359 587638730 /nfs/dbraw/zinc/63/87/30/587638730.db2.gz MTYOHABXNLVKRL-AATRIKPKSA-N -2 3 339.402 0.689 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821956359 587638732 /nfs/dbraw/zinc/63/87/32/587638732.db2.gz MTYOHABXNLVKRL-AATRIKPKSA-N -2 3 339.402 0.689 20 0 ECADHL Cc1c(NC(=O)c2cnc([O-])n(C)c2=O)cccc1-c1nn[n-]n1 ZINC000822103310 587644526 /nfs/dbraw/zinc/64/45/26/587644526.db2.gz FPEAADOWFKIUNN-UHFFFAOYSA-N -2 3 327.304 0.227 20 0 ECADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccc1O ZINC000822414635 587658445 /nfs/dbraw/zinc/65/84/45/587658445.db2.gz NXTQFTJLNGCWTQ-UHFFFAOYSA-N -2 3 335.349 0.713 20 0 ECADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822414635 587658447 /nfs/dbraw/zinc/65/84/47/587658447.db2.gz NXTQFTJLNGCWTQ-UHFFFAOYSA-N -2 3 335.349 0.713 20 0 ECADHL Cc1nn(CCC[N-]C(=O)C(F)(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500949 587662883 /nfs/dbraw/zinc/66/28/83/587662883.db2.gz NYOPOTGILKFRJQ-UHFFFAOYSA-N -2 3 345.285 0.109 20 0 ECADHL Cc1nn(CCC[N-]C(=O)C(F)(F)F)c(=O)c(-c2nnn[n-]2)c1C ZINC000822500949 587662884 /nfs/dbraw/zinc/66/28/84/587662884.db2.gz NYOPOTGILKFRJQ-UHFFFAOYSA-N -2 3 345.285 0.109 20 0 ECADHL Cc1nonc1C[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822530476 587664334 /nfs/dbraw/zinc/66/43/34/587664334.db2.gz CULGHSSUNSCQFA-UHFFFAOYSA-N -2 3 339.312 0.176 20 0 ECADHL Cc1nonc1C[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822530476 587664335 /nfs/dbraw/zinc/66/43/35/587664335.db2.gz CULGHSSUNSCQFA-UHFFFAOYSA-N -2 3 339.312 0.176 20 0 ECADHL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccc1O ZINC000822527778 587664469 /nfs/dbraw/zinc/66/44/69/587664469.db2.gz DOXOUTWUSBTCSS-UHFFFAOYSA-N -2 3 336.333 0.978 20 0 ECADHL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822527778 587664470 /nfs/dbraw/zinc/66/44/70/587664470.db2.gz DOXOUTWUSBTCSS-UHFFFAOYSA-N -2 3 336.333 0.978 20 0 ECADHL O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N-]OCc1ccccc1 ZINC000823022418 587697410 /nfs/dbraw/zinc/69/74/10/587697410.db2.gz GBPKZPDKYGSJJH-UHFFFAOYSA-N -2 3 342.315 0.600 20 0 ECADHL O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N-]OCc1ccccc1 ZINC000823022418 587697411 /nfs/dbraw/zinc/69/74/11/587697411.db2.gz GBPKZPDKYGSJJH-UHFFFAOYSA-N -2 3 342.315 0.600 20 0 ECADHL O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cc(F)ccc1[O-] ZINC000823205947 587709856 /nfs/dbraw/zinc/70/98/56/587709856.db2.gz CXHNABMBHWOVNW-UHFFFAOYSA-N -2 3 343.322 0.948 20 0 ECADHL O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cc(F)ccc1[O-] ZINC000823205947 587709858 /nfs/dbraw/zinc/70/98/58/587709858.db2.gz CXHNABMBHWOVNW-UHFFFAOYSA-N -2 3 343.322 0.948 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CC12CCC2 ZINC000823285187 587714578 /nfs/dbraw/zinc/71/45/78/587714578.db2.gz NTRKNVDDFVMZPZ-NSHDSACASA-N -2 3 333.373 0.862 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CC12CCC2 ZINC000823285187 587714580 /nfs/dbraw/zinc/71/45/80/587714580.db2.gz NTRKNVDDFVMZPZ-NSHDSACASA-N -2 3 333.373 0.862 20 0 ECADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823323335 587716088 /nfs/dbraw/zinc/71/60/88/587716088.db2.gz KVMUJKNQGDBHJE-UHFFFAOYSA-N -2 3 338.287 0.790 20 0 ECADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823323335 587716090 /nfs/dbraw/zinc/71/60/90/587716090.db2.gz KVMUJKNQGDBHJE-UHFFFAOYSA-N -2 3 338.287 0.790 20 0 ECADHL CC(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823989402 587847025 /nfs/dbraw/zinc/84/70/25/587847025.db2.gz WTCWCIIYZHUPRM-JTQLQIEISA-N -2 3 334.361 0.432 20 0 ECADHL CC(=O)c1ccc(-c2nnn[n-]2)c(NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000824015454 587848701 /nfs/dbraw/zinc/84/87/01/587848701.db2.gz WAKNGBNENIWREM-UHFFFAOYSA-N -2 3 328.336 0.938 20 0 ECADHL CC(=O)c1ccc(-c2nn[n-]n2)c(NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000824015454 587848703 /nfs/dbraw/zinc/84/87/03/587848703.db2.gz WAKNGBNENIWREM-UHFFFAOYSA-N -2 3 328.336 0.938 20 0 ECADHL C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])N1CCSCC1 ZINC000824045374 587850704 /nfs/dbraw/zinc/85/07/04/587850704.db2.gz LSQAFXHLWFLESZ-SECBINFHSA-N -2 3 334.405 0.948 20 0 ECADHL CC(C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824172685 587858486 /nfs/dbraw/zinc/85/84/86/587858486.db2.gz OLDUPOGACVDCDS-UHFFFAOYSA-N -2 3 333.320 0.194 20 0 ECADHL CC(C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824172685 587858484 /nfs/dbraw/zinc/85/84/84/587858484.db2.gz OLDUPOGACVDCDS-UHFFFAOYSA-N -2 3 333.320 0.194 20 0 ECADHL C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000824543062 587879690 /nfs/dbraw/zinc/87/96/90/587879690.db2.gz DZEOSABARCCEGJ-AAEUAGOBSA-N -2 3 335.408 0.899 20 0 ECADHL C[C@@H](CC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)NC(=O)[O-] ZINC000824654716 587883918 /nfs/dbraw/zinc/88/39/18/587883918.db2.gz HBNZIOLOIKPEQQ-FVMDXXJSSA-N -2 3 348.359 0.404 20 0 ECADHL C[C@@H](CC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)NC(=O)[O-] ZINC000824654718 587883947 /nfs/dbraw/zinc/88/39/47/587883947.db2.gz HBNZIOLOIKPEQQ-XXFAHNHDSA-N -2 3 348.359 0.404 20 0 ECADHL C[C@H](CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)NC(=O)[O-] ZINC000824697102 587887714 /nfs/dbraw/zinc/88/77/14/587887714.db2.gz YYCFMEDKMZOEDK-ANRSDYALSA-N -2 3 334.332 0.726 20 0 ECADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825158827 587920212 /nfs/dbraw/zinc/92/02/12/587920212.db2.gz BHXKTHPLZAFFBK-SNVBAGLBSA-N -2 3 341.418 0.813 20 0 ECADHL CC[C@@H](SC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825158827 587920214 /nfs/dbraw/zinc/92/02/14/587920214.db2.gz BHXKTHPLZAFFBK-SNVBAGLBSA-N -2 3 341.418 0.813 20 0 ECADHL C[C@]1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CCN(C(=O)[O-])C1 ZINC000825664187 587955581 /nfs/dbraw/zinc/95/55/81/587955581.db2.gz YXVYXNIVJLVFCV-INIZCTEOSA-N -2 3 335.360 0.628 20 0 ECADHL C[C@]1(c2ccc(C(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2)NC(=O)[N-]C1=O ZINC000825766258 587960066 /nfs/dbraw/zinc/96/00/66/587960066.db2.gz NGBCRMISXKLROI-BDJLRTHQSA-N -2 3 346.343 0.223 20 0 ECADHL C[C@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000825896731 587970128 /nfs/dbraw/zinc/97/01/28/587970128.db2.gz SAUYBNGBZNDMMP-JKYUHCHBSA-N -2 3 339.352 0.416 20 0 ECADHL COC[C@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000826148416 587998985 /nfs/dbraw/zinc/99/89/85/587998985.db2.gz IDRLFQKVJSYSTO-PSLIRLAXSA-N -2 3 349.347 0.240 20 0 ECADHL COC[C@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000826148416 587998987 /nfs/dbraw/zinc/99/89/87/587998987.db2.gz IDRLFQKVJSYSTO-PSLIRLAXSA-N -2 3 349.347 0.240 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000826245580 588015153 /nfs/dbraw/zinc/01/51/53/588015153.db2.gz BVORMXQZEBKJLK-UHFFFAOYSA-N -2 3 337.343 0.869 20 0 ECADHL O=C([N-]OCc1cccnc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826450019 588052478 /nfs/dbraw/zinc/05/24/78/588052478.db2.gz TXXBXWXVRQXPFC-ZDUSSCGKSA-N -2 3 326.316 0.543 20 0 ECADHL O=C([N-]OCc1cccnc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826450019 588052480 /nfs/dbraw/zinc/05/24/80/588052480.db2.gz TXXBXWXVRQXPFC-ZDUSSCGKSA-N -2 3 326.316 0.543 20 0 ECADHL O=C([N-]OCc1cccnc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826450018 588052832 /nfs/dbraw/zinc/05/28/32/588052832.db2.gz TXXBXWXVRQXPFC-CYBMUJFWSA-N -2 3 326.316 0.543 20 0 ECADHL O=C([N-]OCc1cccnc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826450018 588052834 /nfs/dbraw/zinc/05/28/34/588052834.db2.gz TXXBXWXVRQXPFC-CYBMUJFWSA-N -2 3 326.316 0.543 20 0 ECADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(-n2cnnn2)c1 ZINC000826451098 588053390 /nfs/dbraw/zinc/05/33/90/588053390.db2.gz QCEPXTSAVYCOOY-UHFFFAOYSA-N -2 3 349.314 0.800 20 0 ECADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826460984 588054141 /nfs/dbraw/zinc/05/41/41/588054141.db2.gz AJOSNNQQJURIBC-SECBINFHSA-N -2 3 341.324 0.244 20 0 ECADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826460984 588054143 /nfs/dbraw/zinc/05/41/43/588054143.db2.gz AJOSNNQQJURIBC-SECBINFHSA-N -2 3 341.324 0.244 20 0 ECADHL CC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000827513653 588124972 /nfs/dbraw/zinc/12/49/72/588124972.db2.gz CLOFSFHVWHNEJV-LBPRGKRZSA-N -2 3 335.360 0.723 20 0 ECADHL CN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)C1CCC(NC(=O)[O-])CC1 ZINC000827753477 588139205 /nfs/dbraw/zinc/13/92/05/588139205.db2.gz RHMNRNLRYDHPNT-RTBKNWGFSA-N -2 3 326.353 0.012 20 0 ECADHL CN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827776171 588140516 /nfs/dbraw/zinc/14/05/16/588140516.db2.gz ZREJFUPFLFNIDF-SECBINFHSA-N -2 3 347.418 0.237 20 0 ECADHL C[C@@H](OC(=O)c1ccc(NC(=O)[O-])c([O-])c1)C(=O)N1CCNC1=O ZINC000827862036 588144344 /nfs/dbraw/zinc/14/43/44/588144344.db2.gz 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/nfs/dbraw/zinc/71/15/28/579711528.db2.gz JTMSNVOCBNJHKP-UHFFFAOYSA-N -2 3 349.299 0.266 20 0 ECADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCN(C(=O)[O-])C2CC2)s1 ZINC000739792491 579713625 /nfs/dbraw/zinc/71/36/25/579713625.db2.gz OSMNQUKHUZXFDT-UHFFFAOYSA-N -2 3 348.402 0.955 20 0 ECADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000739794667 579713888 /nfs/dbraw/zinc/71/38/88/579713888.db2.gz YCFRQFDXVIKDHB-MRVPVSSYSA-N -2 3 334.375 0.565 20 0 ECADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2)o1 ZINC000740175643 579731528 /nfs/dbraw/zinc/73/15/28/579731528.db2.gz QNSMGOHXSUWFGA-ZETCQYMHSA-N -2 3 342.295 0.893 20 0 ECADHL Cn1cnc(S(=O)(=O)[N-][C@H](CNC(=O)[O-])C2CCCCC2)c1 ZINC000740294536 579736382 /nfs/dbraw/zinc/73/63/82/579736382.db2.gz HVZNONXBSXZVHR-LLVKDONJSA-N -2 3 330.410 0.915 20 0 ECADHL O=C([O-])N1CC[C@H](CCNC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000740374324 579742999 /nfs/dbraw/zinc/74/29/99/579742999.db2.gz MWGQJZCPHWEFOU-NSHDSACASA-N -2 3 335.360 0.628 20 0 ECADHL O=C([O-])N(CCCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000740430720 579746895 /nfs/dbraw/zinc/74/68/95/579746895.db2.gz OMCAVVHGCSWPMU-UHFFFAOYSA-N -2 3 331.328 0.833 20 0 ECADHL O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000740621849 579755802 /nfs/dbraw/zinc/75/58/02/579755802.db2.gz DJEBDWBOPYZWNE-SKDRFNHKSA-N -2 3 331.328 0.736 20 0 ECADHL O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000740621847 579755824 /nfs/dbraw/zinc/75/58/24/579755824.db2.gz DJEBDWBOPYZWNE-CABZTGNLSA-N -2 3 331.328 0.736 20 0 ECADHL O=C([O-])NCCc1ccc(CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000740671567 579758922 /nfs/dbraw/zinc/75/89/22/579758922.db2.gz RNDWAPVOIZGVJM-GFCCVEGCSA-N -2 3 348.359 0.101 20 0 ECADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)c1F ZINC000840899107 588975064 /nfs/dbraw/zinc/97/50/64/588975064.db2.gz NTTVVXORJMFZEV-UHFFFAOYSA-N -2 3 344.364 0.731 20 0 ECADHL COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838913668 586828924 /nfs/dbraw/zinc/82/89/24/586828924.db2.gz WFSQFSLPOIUQDK-RKDXNWHRSA-N -2 3 326.378 0.681 20 0 ECADHL C[C@H]1CN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCO1 ZINC000906945664 586997436 /nfs/dbraw/zinc/99/74/36/586997436.db2.gz WLMGZWIQCAUPDY-JTQLQIEISA-N -2 3 346.380 0.523 20 0 ECADHL COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000818523943 587437044 /nfs/dbraw/zinc/43/70/44/587437044.db2.gz XXAJJSUBJKXSDX-ZETCQYMHSA-N -2 3 326.330 0.406 20 0 ECADHL O=C([O-])C[C@]1([N-]S(=O)(=O)c2cn3c(n2)CCCC3)CCCOC1 ZINC000819107084 587468784 /nfs/dbraw/zinc/46/87/84/587468784.db2.gz DSOANAMCQXLHNM-CQSZACIVSA-N -2 3 343.405 0.522 20 0 ECADHL C[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820396286 587532281 /nfs/dbraw/zinc/53/22/81/587532281.db2.gz DVERLAGIEQFPJC-QMMMGPOBSA-N -2 3 342.315 0.922 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000820534014 587540279 /nfs/dbraw/zinc/54/02/79/587540279.db2.gz IWTCGABQMXSJGW-HWPZZCPQSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000820534014 587540280 /nfs/dbraw/zinc/54/02/80/587540280.db2.gz IWTCGABQMXSJGW-HWPZZCPQSA-N -2 3 345.359 0.957 20 0 ECADHL CCC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1nnn[n-]1 ZINC000821020582 587570188 /nfs/dbraw/zinc/57/01/88/587570188.db2.gz FRNHFAKAGLEDIK-JTQLQIEISA-N -2 3 343.351 0.416 20 0 ECADHL CCCN(CCC)S(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1 ZINC000821099781 587573557 /nfs/dbraw/zinc/57/35/57/587573557.db2.gz NVEYHNQZEJTEJN-UHFFFAOYSA-N -2 3 328.402 0.379 20 0 ECADHL CCCN(CCC)S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821099781 587573558 /nfs/dbraw/zinc/57/35/58/587573558.db2.gz NVEYHNQZEJTEJN-UHFFFAOYSA-N -2 3 328.402 0.379 20 0 ECADHL O=C([O-])Cc1ccccc1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000821539042 587599042 /nfs/dbraw/zinc/59/90/42/587599042.db2.gz DTTFMVASFHVMIE-NSHDSACASA-N -2 3 332.316 0.082 20 0 ECADHL O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823145528 587705743 /nfs/dbraw/zinc/70/57/43/587705743.db2.gz RVIJHGJLYHBERE-UHFFFAOYSA-N -2 3 331.365 0.641 20 0 ECADHL O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823145528 587705745 /nfs/dbraw/zinc/70/57/45/587705745.db2.gz RVIJHGJLYHBERE-UHFFFAOYSA-N -2 3 331.365 0.641 20 0 ECADHL O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823145528 587705746 /nfs/dbraw/zinc/70/57/46/587705746.db2.gz RVIJHGJLYHBERE-UHFFFAOYSA-N -2 3 331.365 0.641 20 0 ECADHL O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823145528 587705748 /nfs/dbraw/zinc/70/57/48/587705748.db2.gz RVIJHGJLYHBERE-UHFFFAOYSA-N -2 3 331.365 0.641 20 0 ECADHL O=c1[n-]c(CCCNc2snc(Cl)c2-c2nnn[n-]2)n[nH]1 ZINC000823664653 587737058 /nfs/dbraw/zinc/73/70/58/587737058.db2.gz BWTBLZLDFHAGKB-UHFFFAOYSA-N -2 3 327.761 0.845 20 0 ECADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)O[C@H]1CCCN(C(=O)[O-])C1 ZINC000823760714 587742054 /nfs/dbraw/zinc/74/20/54/587742054.db2.gz VAVDDIJDEJFCRK-VHSXEESVSA-N -2 3 336.410 0.636 20 0 ECADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824053103 587851599 /nfs/dbraw/zinc/85/15/99/587851599.db2.gz UWDBBAYUANBMDT-YFKPBYRVSA-N -2 3 347.303 0.239 20 0 ECADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824053103 587851601 /nfs/dbraw/zinc/85/16/01/587851601.db2.gz UWDBBAYUANBMDT-YFKPBYRVSA-N -2 3 347.303 0.239 20 0 ECADHL C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000824840059 587897076 /nfs/dbraw/zinc/89/70/76/587897076.db2.gz IHCCKZKLSJPDPX-GFCCVEGCSA-N -2 3 349.387 0.923 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OC[C@H](C)NC(=O)[O-] ZINC000824979665 587907447 /nfs/dbraw/zinc/90/74/47/587907447.db2.gz FIXFCBKSXGUYLS-DTWKUNHWSA-N -2 3 348.352 0.692 20 0 ECADHL C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)CCO1 ZINC000825336939 587933370 /nfs/dbraw/zinc/93/33/70/587933370.db2.gz WQBVGULFHMTYQT-SDBXPKJASA-N -2 3 338.316 0.618 20 0 ECADHL CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000825679848 587956043 /nfs/dbraw/zinc/95/60/43/587956043.db2.gz KCACNGWONGBUTD-SECBINFHSA-N -2 3 329.313 0.147 20 0 ECADHL CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000825679848 587956044 /nfs/dbraw/zinc/95/60/44/587956044.db2.gz KCACNGWONGBUTD-SECBINFHSA-N -2 3 329.313 0.147 20 0 ECADHL CCc1nc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)no1 ZINC000825749628 587959140 /nfs/dbraw/zinc/95/91/40/587959140.db2.gz FCJBMRSLTXKPHJ-UHFFFAOYSA-N -2 3 335.349 0.921 20 0 ECADHL CCc1nc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)no1 ZINC000825749628 587959142 /nfs/dbraw/zinc/95/91/42/587959142.db2.gz FCJBMRSLTXKPHJ-UHFFFAOYSA-N -2 3 335.349 0.921 20 0 ECADHL C/C(=C/COC(=O)C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000825765515 587960085 /nfs/dbraw/zinc/96/00/85/587960085.db2.gz RCJMUIQLEMCTMP-TWGQIWQCSA-N -2 3 331.321 0.678 20 0 ECADHL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C[N-]S(=O)(=O)Cc1ccon1 ZINC000826127736 587995604 /nfs/dbraw/zinc/99/56/04/587995604.db2.gz WMFJBJDHNBWGBN-WPRPVWTQSA-N -2 3 333.366 0.597 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000826174778 588005215 /nfs/dbraw/zinc/00/52/15/588005215.db2.gz JABVHVCWOPORIS-ZDUSSCGKSA-N -2 3 349.347 0.480 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000826174778 588005217 /nfs/dbraw/zinc/00/52/17/588005217.db2.gz JABVHVCWOPORIS-ZDUSSCGKSA-N -2 3 349.347 0.480 20 0 ECADHL COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000826185585 588007243 /nfs/dbraw/zinc/00/72/43/588007243.db2.gz NSZVLTXPYKISQO-UHFFFAOYSA-N -2 3 346.347 0.804 20 0 ECADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000826185585 588007245 /nfs/dbraw/zinc/00/72/45/588007245.db2.gz NSZVLTXPYKISQO-UHFFFAOYSA-N -2 3 346.347 0.804 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000826279131 588019242 /nfs/dbraw/zinc/01/92/42/588019242.db2.gz GLYOUGGAJVGFGR-MRVPVSSYSA-N -2 3 325.350 0.269 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000826279131 588019244 /nfs/dbraw/zinc/01/92/44/588019244.db2.gz GLYOUGGAJVGFGR-MRVPVSSYSA-N -2 3 325.350 0.269 20 0 ECADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826334450 588026515 /nfs/dbraw/zinc/02/65/15/588026515.db2.gz VQASPYBGEYHQJY-UHFFFAOYSA-N -2 3 343.760 0.086 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826450614 588053413 /nfs/dbraw/zinc/05/34/13/588053413.db2.gz UMJKDWIVWGFJDB-TUAOUCFPSA-N -2 3 349.372 0.097 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826450614 588053416 /nfs/dbraw/zinc/05/34/16/588053416.db2.gz UMJKDWIVWGFJDB-TUAOUCFPSA-N -2 3 349.372 0.097 20 0 ECADHL C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827597246 588130778 /nfs/dbraw/zinc/13/07/78/588130778.db2.gz PQRCWDLSMZLWBD-SSDOTTSWSA-N -2 3 346.315 0.622 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)[O-])C2)oc1C ZINC000828761475 588203456 /nfs/dbraw/zinc/20/34/56/588203456.db2.gz VUPDBMIOCIDMRX-SECBINFHSA-N -2 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O=C(COC(=O)c1cncc([O-])c1)Nc1sccc1-c1nn[n-]n1 ZINC000737916069 579584156 /nfs/dbraw/zinc/58/41/56/579584156.db2.gz QYCYBBQZGAZTJP-UHFFFAOYSA-N -2 3 346.328 0.824 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738138533 579607253 /nfs/dbraw/zinc/60/72/53/579607253.db2.gz FJMAWDVEFUGLDJ-UHFFFAOYSA-N -2 3 330.329 0.380 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738138533 579607254 /nfs/dbraw/zinc/60/72/54/579607254.db2.gz FJMAWDVEFUGLDJ-UHFFFAOYSA-N -2 3 330.329 0.380 20 0 ECADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)[O-])C2)s1 ZINC000738549354 579638387 /nfs/dbraw/zinc/63/83/87/579638387.db2.gz MBNJAZOOUZCRCV-SECBINFHSA-N -2 3 347.418 0.415 20 0 ECADHL Cc1ccc([C@H](CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)C(=O)[O-])cc1 ZINC000738554630 579638801 /nfs/dbraw/zinc/63/88/01/579638801.db2.gz RRVOWGDBJMZEGU-NWDGAFQWSA-N -2 3 333.344 0.268 20 0 ECADHL CC(C)[C@@H](NC(=O)[O-])C(=O)Oc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000738796611 579649830 /nfs/dbraw/zinc/64/98/30/579649830.db2.gz GHWJTJZDUXXQRD-NWDGAFQWSA-N -2 3 349.343 0.635 20 0 ECADHL C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1[O-])N1CCN(C)CC1 ZINC000738941580 579657966 /nfs/dbraw/zinc/65/79/66/579657966.db2.gz WRLHOHQRTBWUCI-LLVKDONJSA-N -2 3 336.392 0.848 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)CCCNC(=O)[O-] ZINC000739039342 579662836 /nfs/dbraw/zinc/66/28/36/579662836.db2.gz NYEWRTCCBKNGEV-SECBINFHSA-N -2 3 349.434 0.531 20 0 ECADHL C[C@@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)CC[C@@H]1NC(=O)[O-] ZINC000739137410 579668630 /nfs/dbraw/zinc/66/86/30/579668630.db2.gz VRYDAXCMUZWUNK-MFKMUULPSA-N -2 3 335.360 0.627 20 0 ECADHL CCC[C@H](NC(=O)[O-])C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000739315519 579681162 /nfs/dbraw/zinc/68/11/62/579681162.db2.gz IWYYREZLTHOXCS-VIFPVBQESA-N -2 3 349.434 0.709 20 0 ECADHL CCN(CC[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000739434212 579686880 /nfs/dbraw/zinc/68/68/80/579686880.db2.gz NSPJDVNPVIFSBX-UHFFFAOYSA-N -2 3 348.352 0.891 20 0 ECADHL CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000739606639 579697448 /nfs/dbraw/zinc/69/74/48/579697448.db2.gz ZFYPRJRGFGPOGF-UHFFFAOYSA-N -2 3 334.332 0.118 20 0 ECADHL CN(C[C@H]1CCCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1)C(=O)[O-] ZINC000739644319 579700021 /nfs/dbraw/zinc/70/00/21/579700021.db2.gz UGTDAMKSYHHEEF-GFCCVEGCSA-N -2 3 349.387 0.970 20 0 ECADHL CN(CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)[O-] ZINC000739688660 579703598 /nfs/dbraw/zinc/70/35/98/579703598.db2.gz NXKLCNKDJAOMDM-GFCCVEGCSA-N -2 3 335.360 0.723 20 0 ECADHL COc1ccc(NC(=O)[O-])c(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)c1 ZINC000739918877 579722244 /nfs/dbraw/zinc/72/22/44/579722244.db2.gz YIOICLNIPJHKGX-SECBINFHSA-N -2 3 336.304 0.712 20 0 ECADHL O=C(CC[C@@H]1NC(=O)[N-]C1=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740354748 579741535 /nfs/dbraw/zinc/74/15/35/579741535.db2.gz QRVHPHZMRRNMTC-JTQLQIEISA-N -2 3 332.316 0.654 20 0 ECADHL O=C([O-])N1CC[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000740363044 579741860 /nfs/dbraw/zinc/74/18/60/579741860.db2.gz MSFOFVNNDFCCGJ-JTQLQIEISA-N -2 3 346.343 0.361 20 0 ECADHL O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2 ZINC000740394823 579744528 /nfs/dbraw/zinc/74/45/28/579744528.db2.gz XHSUXHOUQZDQNP-FGWVZKOKSA-N -2 3 343.339 0.973 20 0 ECADHL O=C([O-])N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000740587327 579754040 /nfs/dbraw/zinc/75/40/40/579754040.db2.gz RFGXADRXYNRYHN-AAEUAGOBSA-N -2 3 347.371 0.865 20 0 ECADHL O=C([O-])NCCCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000740652110 579757731 /nfs/dbraw/zinc/75/77/31/579757731.db2.gz GCVPDKNFWHSEKZ-UHFFFAOYSA-N -2 3 346.343 0.032 20 0 ECADHL O=C([O-])NC1(C[N-]S(=O)(=O)c2cn3c(n2)CCCC3)CCC1 ZINC000834154611 588885430 /nfs/dbraw/zinc/88/54/30/588885430.db2.gz CPPRZUXPMXZAFD-UHFFFAOYSA-N -2 3 328.394 0.688 20 0 ECADHL O=C([O-])Nc1cccc(CC(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000834265390 588892477 /nfs/dbraw/zinc/89/24/77/588892477.db2.gz UPPAYHJBUHNSDX-HNNXBMFYSA-N -2 3 332.316 0.130 20 0 ECADHL O=C([O-])N1CCC[C@@H]1C(=O)Oc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000834287880 588893588 /nfs/dbraw/zinc/89/35/88/588893588.db2.gz AJXPAHVFEMDKKC-VXGBXAGGSA-N -2 3 347.327 0.485 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])ccc1Cl ZINC000837296336 588948298 /nfs/dbraw/zinc/94/82/98/588948298.db2.gz LXPFGVUUPDUPDD-SECBINFHSA-N -2 3 339.728 0.828 20 0 ECADHL CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1 ZINC000837294832 588948351 /nfs/dbraw/zinc/94/83/51/588948351.db2.gz NLWUVPPFPHHNSA-SECBINFHSA-N -2 3 349.336 0.573 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)ccc1F ZINC000841772532 589000187 /nfs/dbraw/zinc/00/01/87/589000187.db2.gz HTYADESAXGPGFV-QMMMGPOBSA-N -2 3 344.364 0.812 20 0 ECADHL COCCN(CCC(=O)[O-])CC(=O)N=c1cc(C(C)(C)C)[n-]n1C ZINC000903711720 586803283 /nfs/dbraw/zinc/80/32/83/586803283.db2.gz IMIWTIPOQOCPNG-UHFFFAOYSA-N -2 3 340.424 0.501 20 0 ECADHL C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838915225 586829334 /nfs/dbraw/zinc/82/93/34/586829334.db2.gz VBGXLYTXRUUPRM-BDAKNGLRSA-N -2 3 336.373 0.768 20 0 ECADHL CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000906860365 586990542 /nfs/dbraw/zinc/99/05/42/586990542.db2.gz DJEGWFQCHNEEEL-LLVKDONJSA-N -2 3 328.390 0.805 20 0 ECADHL CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906891020 586994173 /nfs/dbraw/zinc/99/41/73/586994173.db2.gz OKQXFZUPYKDCKV-LLVKDONJSA-N -2 3 328.390 0.805 20 0 ECADHL C[C@@H]1CN(CC[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2F)CCO1 ZINC000906943597 586996858 /nfs/dbraw/zinc/99/68/58/586996858.db2.gz BCWNIUITPQVIQF-SNVBAGLBSA-N -2 3 346.380 0.523 20 0 ECADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2cnn(C)n2)c1 ZINC000804610785 587088629 /nfs/dbraw/zinc/08/86/29/587088629.db2.gz RAVQABPIMYIRCD-UHFFFAOYSA-N -2 3 328.325 0.439 20 0 ECADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c(F)c1 ZINC000809224950 587172450 /nfs/dbraw/zinc/17/24/50/587172450.db2.gz JFRDGAYMEGGUFY-UHFFFAOYSA-N -2 3 331.321 0.898 20 0 ECADHL C[C@@H](C(=O)[O-])N(C(=O)COc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819876718 587494309 /nfs/dbraw/zinc/49/43/09/587494309.db2.gz JBYHTTFIWHZHQB-VIFPVBQESA-N -2 3 331.332 0.710 20 0 ECADHL C[C@@H](C(=O)[O-])N(C(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819876718 587494311 /nfs/dbraw/zinc/49/43/11/587494311.db2.gz JBYHTTFIWHZHQB-VIFPVBQESA-N -2 3 331.332 0.710 20 0 ECADHL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)[N-]c1nnc2[nH]cnn12 ZINC000819980628 587500571 /nfs/dbraw/zinc/50/05/71/587500571.db2.gz HZESZLYXUWWJMA-UHFFFAOYSA-N -2 3 342.344 0.090 20 0 ECADHL CC(C)Oc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1-c1nnn[n-]1 ZINC000820173908 587514770 /nfs/dbraw/zinc/51/47/70/587514770.db2.gz NEXKUVOGKGWHKG-UHFFFAOYSA-N -2 3 330.308 0.730 20 0 ECADHL CC(C)Oc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1-c1nn[n-]n1 ZINC000820173908 587514771 /nfs/dbraw/zinc/51/47/71/587514771.db2.gz NEXKUVOGKGWHKG-UHFFFAOYSA-N -2 3 330.308 0.730 20 0 ECADHL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000820215084 587517319 /nfs/dbraw/zinc/51/73/19/587517319.db2.gz SGABJOBKJWSJPW-UHFFFAOYSA-N -2 3 334.365 0.840 20 0 ECADHL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000820215084 587517321 /nfs/dbraw/zinc/51/73/21/587517321.db2.gz SGABJOBKJWSJPW-UHFFFAOYSA-N -2 3 334.365 0.840 20 0 ECADHL CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820892817 587562135 /nfs/dbraw/zinc/56/21/35/587562135.db2.gz FPNVXMBXXMFXNE-UHFFFAOYSA-N -2 3 340.409 0.701 20 0 ECADHL CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820892817 587562136 /nfs/dbraw/zinc/56/21/36/587562136.db2.gz FPNVXMBXXMFXNE-UHFFFAOYSA-N -2 3 340.409 0.701 20 0 ECADHL CN(C)c1ccc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccnn2C)c1 ZINC000821589419 587602972 /nfs/dbraw/zinc/60/29/72/587602972.db2.gz MSLBCUXIWUMZFH-UHFFFAOYSA-N -2 3 348.392 0.467 20 0 ECADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccnn2C)c1 ZINC000821589419 587602974 /nfs/dbraw/zinc/60/29/74/587602974.db2.gz MSLBCUXIWUMZFH-UHFFFAOYSA-N -2 3 348.392 0.467 20 0 ECADHL COCCO[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000821692895 587624130 /nfs/dbraw/zinc/62/41/30/587624130.db2.gz HZUNELKMQLUUCK-ZDUSSCGKSA-N -2 3 332.364 0.530 20 0 ECADHL COCCO[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000821692895 587624132 /nfs/dbraw/zinc/62/41/32/587624132.db2.gz HZUNELKMQLUUCK-ZDUSSCGKSA-N -2 3 332.364 0.530 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821955980 587638789 /nfs/dbraw/zinc/63/87/89/587638789.db2.gz DHGJIJFSIXPPIL-AATRIKPKSA-N -2 3 339.402 0.857 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821955980 587638791 /nfs/dbraw/zinc/63/87/91/587638791.db2.gz DHGJIJFSIXPPIL-AATRIKPKSA-N -2 3 339.402 0.857 20 0 ECADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822369191 587656282 /nfs/dbraw/zinc/65/62/82/587656282.db2.gz CUADKWPVEMMLDR-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL Cc1cccnc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822369191 587656283 /nfs/dbraw/zinc/65/62/83/587656283.db2.gz CUADKWPVEMMLDR-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CC12CCC2 ZINC000823284776 587714570 /nfs/dbraw/zinc/71/45/70/587714570.db2.gz JNZOJUBLGVFEIA-LLVKDONJSA-N -2 3 333.373 0.862 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CC12CCC2 ZINC000823284776 587714572 /nfs/dbraw/zinc/71/45/72/587714572.db2.gz JNZOJUBLGVFEIA-LLVKDONJSA-N -2 3 333.373 0.862 20 0 ECADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccnc(-n2cncn2)c1 ZINC000823294807 587714828 /nfs/dbraw/zinc/71/48/28/587714828.db2.gz RZDZINMNUSXTIM-UHFFFAOYSA-N -2 3 349.314 0.800 20 0 ECADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000824274109 587864961 /nfs/dbraw/zinc/86/49/61/587864961.db2.gz FYBKOIJVXIULLA-LLVKDONJSA-N -2 3 339.377 0.644 20 0 ECADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824274109 587864963 /nfs/dbraw/zinc/86/49/63/587864963.db2.gz FYBKOIJVXIULLA-LLVKDONJSA-N -2 3 339.377 0.644 20 0 ECADHL C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824640175 587883115 /nfs/dbraw/zinc/88/31/15/587883115.db2.gz CCNOSBIUKCTZGP-YFKPBYRVSA-N -2 3 331.741 0.272 20 0 ECADHL C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824640175 587883116 /nfs/dbraw/zinc/88/31/16/587883116.db2.gz CCNOSBIUKCTZGP-YFKPBYRVSA-N -2 3 331.741 0.272 20 0 ECADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000824745043 587892268 /nfs/dbraw/zinc/89/22/68/587892268.db2.gz LBZKAXIYFUHHKZ-UWVGGRQHSA-N -2 3 331.332 0.567 20 0 ECADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000824745043 587892269 /nfs/dbraw/zinc/89/22/69/587892269.db2.gz LBZKAXIYFUHHKZ-UWVGGRQHSA-N -2 3 331.332 0.567 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)OC[C@H](C)NC(=O)[O-] ZINC000824981637 587907680 /nfs/dbraw/zinc/90/76/80/587907680.db2.gz ZKANSTQVXMJKLL-JGVFFNPUSA-N -2 3 336.391 0.614 20 0 ECADHL C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825020141 587912799 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O=S(=O)([N-]C1(CO)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487560 588059886 /nfs/dbraw/zinc/05/98/86/588059886.db2.gz RORBJNGDWWSICP-UHFFFAOYSA-N -2 3 345.331 0.338 20 0 ECADHL CCOC(=O)c1ccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)c([O-])c1 ZINC000827343969 588113709 /nfs/dbraw/zinc/11/37/09/588113709.db2.gz RZKUQIDLFWJNRJ-GFCCVEGCSA-N -2 3 338.316 0.886 20 0 ECADHL C[C@H](CS(=O)(=O)[N-]CC(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC000827558927 588128025 /nfs/dbraw/zinc/12/80/25/588128025.db2.gz TUBLUGMYNRQIFO-SSDOTTSWSA-N -2 3 336.316 0.543 20 0 ECADHL CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000827871137 588144744 /nfs/dbraw/zinc/14/47/44/588144744.db2.gz LOYJMQYSWYIKKL-GFCCVEGCSA-N -2 3 341.389 0.882 20 0 ECADHL C[C@H]1C[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(=O)N1c1ccccc1 ZINC000828183385 588163999 /nfs/dbraw/zinc/16/39/99/588163999.db2.gz HGEIQCOJUOXKLW-AAEUAGOBSA-N -2 3 340.401 0.965 20 0 ECADHL CN(CCCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-] ZINC000828301834 588170678 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333.304 0.832 20 0 ECADHL Cc1nc(S(=O)(=O)[N-]C[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])cn1C ZINC000740221091 579732899 /nfs/dbraw/zinc/73/28/99/579732899.db2.gz TZHJIVBLINTZJD-SCZZXKLOSA-N -2 3 346.409 0.510 20 0 ECADHL O=C([O-])N1CC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000740493786 579750309 /nfs/dbraw/zinc/75/03/09/579750309.db2.gz IOGJLXSEJQWEPI-GFCCVEGCSA-N -2 3 347.371 0.677 20 0 ECADHL O=C([O-])NC[C@H]1CCCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000740634977 579756714 /nfs/dbraw/zinc/75/67/14/579756714.db2.gz OPMDBFAZXNIGNP-LLVKDONJSA-N -2 3 335.360 0.628 20 0 ECADHL O=C([O-])N[C@H](CNC(=O)C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000834140771 588884019 /nfs/dbraw/zinc/88/40/19/588884019.db2.gz RXQKRWZAAFJVBQ-SECBINFHSA-N -2 3 347.418 0.189 20 0 ECADHL O=C([O-])Nc1cnc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000834278331 588893131 /nfs/dbraw/zinc/89/31/31/588893131.db2.gz ZIKIFIPLEUXQMM-UHFFFAOYSA-N -2 3 326.276 0.999 20 0 ECADHL O=C([O-])Nc1cnc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000834278331 588893133 /nfs/dbraw/zinc/89/31/33/588893133.db2.gz ZIKIFIPLEUXQMM-UHFFFAOYSA-N -2 3 326.276 0.999 20 0 ECADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837289906 588947749 /nfs/dbraw/zinc/94/77/49/588947749.db2.gz IXCVYZVUCZQVDN-ZCFIWIBFSA-N -2 3 335.725 0.254 20 0 ECADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000037385797 586788194 /nfs/dbraw/zinc/78/81/94/586788194.db2.gz COOABWRXRUXINJ-RXMQYKEDSA-N -3 3 327.767 0.998 20 0 ECADHL CC[C@@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838912198 586828532 /nfs/dbraw/zinc/82/85/32/586828532.db2.gz GNRRXXMOJQVUOG-PRHODGIISA-N -2 3 326.378 0.824 20 0 ECADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)n(C)n1 ZINC000838916870 586829295 /nfs/dbraw/zinc/82/92/95/586829295.db2.gz LHKNHUPJTZEFAI-UHFFFAOYSA-N -2 3 348.388 0.934 20 0 ECADHL COc1ccc([O-])c(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000818315551 587422152 /nfs/dbraw/zinc/42/21/52/587422152.db2.gz HPRULWBBXFRFDH-VIFPVBQESA-N -2 3 332.316 0.778 20 0 ECADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000819835339 587492615 /nfs/dbraw/zinc/49/26/15/587492615.db2.gz WERQTXRYXGKJQT-UHFFFAOYSA-N -2 3 347.360 0.604 20 0 ECADHL C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820384486 587531213 /nfs/dbraw/zinc/53/12/13/587531213.db2.gz GKJYIKSWFIJBCH-QMMMGPOBSA-N -2 3 341.331 0.157 20 0 ECADHL C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820384486 587531215 /nfs/dbraw/zinc/53/12/15/587531215.db2.gz GKJYIKSWFIJBCH-QMMMGPOBSA-N -2 3 341.331 0.157 20 0 ECADHL C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820396284 587532246 /nfs/dbraw/zinc/53/22/46/587532246.db2.gz DVERLAGIEQFPJC-MRVPVSSYSA-N -2 3 342.315 0.922 20 0 ECADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC000820577530 587542572 /nfs/dbraw/zinc/54/25/72/587542572.db2.gz QPMBNBIIKSCAAO-CYBMUJFWSA-N -2 3 337.361 0.241 20 0 ECADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000820577530 587542574 /nfs/dbraw/zinc/54/25/74/587542574.db2.gz QPMBNBIIKSCAAO-CYBMUJFWSA-N -2 3 337.361 0.241 20 0 ECADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(C)nc2Cl)[n-]1 ZINC000820797370 587556881 /nfs/dbraw/zinc/55/68/81/587556881.db2.gz LPIJDOCSRXDROJ-UHFFFAOYSA-N -2 3 345.768 0.678 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC(C)(C)C(=O)[O-] ZINC000821700789 587625212 /nfs/dbraw/zinc/62/52/12/587625212.db2.gz YCXMPNCUIOIBNY-UHFFFAOYSA-N -2 3 335.320 0.234 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC(C)(C)C(=O)[O-] ZINC000821700789 587625213 /nfs/dbraw/zinc/62/52/13/587625213.db2.gz YCXMPNCUIOIBNY-UHFFFAOYSA-N -2 3 335.320 0.234 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821956761 587638715 /nfs/dbraw/zinc/63/87/15/587638715.db2.gz XADDABVJVCBZSG-VOTSOKGWSA-N -2 3 339.402 0.689 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821956761 587638716 /nfs/dbraw/zinc/63/87/16/587638716.db2.gz XADDABVJVCBZSG-VOTSOKGWSA-N -2 3 339.402 0.689 20 0 ECADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822206162 587647504 /nfs/dbraw/zinc/64/75/04/587647504.db2.gz WRNRHBQXKRLMJD-UHFFFAOYSA-N -2 3 337.340 0.849 20 0 ECADHL O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822941133 587692425 /nfs/dbraw/zinc/69/24/25/587692425.db2.gz QVRUNRUVMKPBFI-QMMMGPOBSA-N -2 3 335.345 0.459 20 0 ECADHL O=C([N-]N1C(=O)c2ccccc2C1=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823269807 587713585 /nfs/dbraw/zinc/71/35/85/587713585.db2.gz PHODKDDFOCYSMD-UHFFFAOYSA-N -2 3 340.324 0.869 20 0 ECADHL O=C([N-]N1C(=O)c2ccccc2C1=O)c1cc(-c2nnn[n-]2)cs1 ZINC000823269807 587713587 /nfs/dbraw/zinc/71/35/87/587713587.db2.gz PHODKDDFOCYSMD-UHFFFAOYSA-N -2 3 340.324 0.869 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823284806 587714443 /nfs/dbraw/zinc/71/44/43/587714443.db2.gz KFSRJYDGMAMFAJ-UHFFFAOYSA-N -2 3 336.358 0.442 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1=CCCC1 ZINC000823284814 587714470 /nfs/dbraw/zinc/71/44/70/587714470.db2.gz KHWWPJXEGDDOAC-UHFFFAOYSA-N -2 3 333.373 0.923 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1=CCCC1 ZINC000823284814 587714472 /nfs/dbraw/zinc/71/44/72/587714472.db2.gz KHWWPJXEGDDOAC-UHFFFAOYSA-N -2 3 333.373 0.923 20 0 ECADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)s1 ZINC000823580273 587732210 /nfs/dbraw/zinc/73/22/10/587732210.db2.gz QMCKTHCOBKWCIO-UHFFFAOYSA-N -2 3 347.418 0.067 20 0 ECADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824051634 587851135 /nfs/dbraw/zinc/85/11/35/587851135.db2.gz AXPXKCHTSSOJOY-ZCFIWIBFSA-N -2 3 345.768 0.614 20 0 ECADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824051634 587851136 /nfs/dbraw/zinc/85/11/36/587851136.db2.gz AXPXKCHTSSOJOY-ZCFIWIBFSA-N -2 3 345.768 0.614 20 0 ECADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824385023 587871721 /nfs/dbraw/zinc/87/17/21/587871721.db2.gz KDXAMKJVISRYRU-QMMMGPOBSA-N -2 3 325.350 0.149 20 0 ECADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824385023 587871723 /nfs/dbraw/zinc/87/17/23/587871723.db2.gz KDXAMKJVISRYRU-QMMMGPOBSA-N -2 3 325.350 0.149 20 0 ECADHL C[C@H](CN1CCOCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000824421734 587873693 /nfs/dbraw/zinc/87/36/93/587873693.db2.gz ULBYHBXYZBAFIM-SNVBAGLBSA-N -2 3 332.364 0.479 20 0 ECADHL C[C@H](CN(C)C(=O)[O-])C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000824887632 587900973 /nfs/dbraw/zinc/90/09/73/587900973.db2.gz ATJCOHHYBKKQQV-MRVPVSSYSA-N -2 3 328.346 0.794 20 0 ECADHL C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1cccc2nonc21)C1CC1 ZINC000824952282 587905256 /nfs/dbraw/zinc/90/52/56/587905256.db2.gz MGQFXUBHZALVBX-CYBMUJFWSA-N -2 3 340.361 0.937 20 0 ECADHL CC[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC000825679818 587956063 /nfs/dbraw/zinc/95/60/63/587956063.db2.gz IMWJYMGGVORGMW-MRVPVSSYSA-N -2 3 325.350 0.317 20 0 ECADHL CC[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC000825679818 587956064 /nfs/dbraw/zinc/95/60/64/587956064.db2.gz IMWJYMGGVORGMW-MRVPVSSYSA-N -2 3 325.350 0.317 20 0 ECADHL C[C@@]1(c2cccc(C(=O)N3CCN(C(=O)[O-])CC3)c2)NC(=O)[N-]C1=O ZINC000825766484 587960139 /nfs/dbraw/zinc/96/01/39/587960139.db2.gz QRGCOMBNSNWATI-INIZCTEOSA-N -2 3 346.343 0.177 20 0 ECADHL CN(CCC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825915023 587972487 /nfs/dbraw/zinc/97/24/87/587972487.db2.gz RJZSQILZHNEIFZ-UHFFFAOYSA-N -2 3 345.768 0.615 20 0 ECADHL C[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)[C@H]1CNC(=O)[O-] ZINC000825932162 587974065 /nfs/dbraw/zinc/97/40/65/587974065.db2.gz PMFNSQWBHFKKKH-ONGXEEELSA-N -2 3 334.380 0.937 20 0 ECADHL COc1ccc(C(=O)[N-]C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826187510 588007504 /nfs/dbraw/zinc/00/75/04/588007504.db2.gz TVCVFQCKVLBCQW-UHFFFAOYSA-N -2 3 327.304 0.028 20 0 ECADHL COc1ccc(C(=O)[N-]C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826187510 588007506 /nfs/dbraw/zinc/00/75/06/588007506.db2.gz TVCVFQCKVLBCQW-UHFFFAOYSA-N -2 3 327.304 0.028 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000826248329 588015539 /nfs/dbraw/zinc/01/55/39/588015539.db2.gz DQWZFSQCYHKJRH-UHFFFAOYSA-N -2 3 328.336 0.361 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000826248329 588015541 /nfs/dbraw/zinc/01/55/41/588015541.db2.gz DQWZFSQCYHKJRH-UHFFFAOYSA-N -2 3 328.336 0.361 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000826249752 588016098 /nfs/dbraw/zinc/01/60/98/588016098.db2.gz SLCOZHIZCAHHTR-SNVBAGLBSA-N -2 3 337.361 0.024 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000826249752 588016100 /nfs/dbraw/zinc/01/61/00/588016100.db2.gz SLCOZHIZCAHHTR-SNVBAGLBSA-N -2 3 337.361 0.024 20 0 ECADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826286671 588020866 /nfs/dbraw/zinc/02/08/66/588020866.db2.gz LJNCAVPODIJATF-UHFFFAOYSA-N -2 3 347.356 0.816 20 0 ECADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826286671 588020868 /nfs/dbraw/zinc/02/08/68/588020868.db2.gz LJNCAVPODIJATF-UHFFFAOYSA-N -2 3 347.356 0.816 20 0 ECADHL Cc1cccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c1-c1nnn[n-]1 ZINC000826300846 588020962 /nfs/dbraw/zinc/02/09/62/588020962.db2.gz IOFUEAPSGBTBRV-MRVPVSSYSA-N -2 3 325.350 0.269 20 0 ECADHL Cc1cccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c1-c1nn[n-]n1 ZINC000826300846 588020963 /nfs/dbraw/zinc/02/09/63/588020963.db2.gz IOFUEAPSGBTBRV-MRVPVSSYSA-N -2 3 325.350 0.269 20 0 ECADHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000826317394 588023650 /nfs/dbraw/zinc/02/36/50/588023650.db2.gz AZFNVCMQGLJASG-QMMMGPOBSA-N -2 3 335.349 0.598 20 0 ECADHL O=C([O-])[C@]1(NC(=O)COc2ccc(-c3nnn[n-]3)cc2)CCSC1 ZINC000826417220 588045330 /nfs/dbraw/zinc/04/53/30/588045330.db2.gz IYOATQSCKCLYDM-AWEZNQCLSA-N -2 3 349.372 0.322 20 0 ECADHL O=C([O-])[C@]1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCSC1 ZINC000826417220 588045332 /nfs/dbraw/zinc/04/53/32/588045332.db2.gz IYOATQSCKCLYDM-AWEZNQCLSA-N -2 3 349.372 0.322 20 0 ECADHL O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826449618 588052751 /nfs/dbraw/zinc/05/27/51/588052751.db2.gz BJQTVIKBXALQEE-SSDOTTSWSA-N -2 3 343.390 0.024 20 0 ECADHL O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826449618 588052753 /nfs/dbraw/zinc/05/27/53/588052753.db2.gz BJQTVIKBXALQEE-SSDOTTSWSA-N -2 3 343.390 0.024 20 0 ECADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826461225 588053873 /nfs/dbraw/zinc/05/38/73/588053873.db2.gz LTXKQIOVMFXBJP-SSDOTTSWSA-N -2 3 341.324 0.101 20 0 ECADHL O=C([O-])CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826461466 588054219 /nfs/dbraw/zinc/05/42/19/588054219.db2.gz WFYIVCKJYXRDBE-UHFFFAOYSA-N -2 3 331.741 0.273 20 0 ECADHL O=S(=O)([N-]CCN1CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826491082 588061994 /nfs/dbraw/zinc/06/19/94/588061994.db2.gz SSDNAGICVPKMQZ-UHFFFAOYSA-N -2 3 344.347 0.129 20 0 ECADHL O=S(=O)([N-]CCN1CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491082 588061996 /nfs/dbraw/zinc/06/19/96/588061996.db2.gz SSDNAGICVPKMQZ-UHFFFAOYSA-N -2 3 344.347 0.129 20 0 ECADHL CCN(CC1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1)C(=O)[O-] ZINC000827080231 588098368 /nfs/dbraw/zinc/09/83/68/588098368.db2.gz ULUVECUPHTYGPO-UHFFFAOYSA-N -2 3 339.352 0.322 20 0 ECADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000827350042 588114234 /nfs/dbraw/zinc/11/42/34/588114234.db2.gz PZWBURSVPYLKDO-MRVPVSSYSA-N -2 3 346.365 0.007 20 0 ECADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000827350042 588114235 /nfs/dbraw/zinc/11/42/35/588114235.db2.gz PZWBURSVPYLKDO-MRVPVSSYSA-N -2 3 346.365 0.007 20 0 ECADHL C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000827422362 588119855 /nfs/dbraw/zinc/11/98/55/588119855.db2.gz QSVBXSKBEMBFHA-SSDOTTSWSA-N -2 3 341.432 0.548 20 0 ECADHL CCc1ocnc1C(=O)[N-]c1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000827679314 588135032 /nfs/dbraw/zinc/13/50/32/588135032.db2.gz BBRDQVYXGSQBQH-UHFFFAOYSA-N -2 3 335.324 0.407 20 0 ECADHL 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O=C([O-])[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000823387613 587719175 /nfs/dbraw/zinc/71/91/75/587719175.db2.gz QQFNPPNJTCWVFI-NSHDSACASA-N -2 3 337.361 0.246 20 0 ECADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000823387613 587719176 /nfs/dbraw/zinc/71/91/76/587719176.db2.gz QQFNPPNJTCWVFI-NSHDSACASA-N -2 3 337.361 0.246 20 0 ECADHL CC(C)(CNC(=O)[O-])C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000823951342 587845478 /nfs/dbraw/zinc/84/54/78/587845478.db2.gz IHUYFHFGGZJKKG-UHFFFAOYSA-N -2 3 349.387 0.970 20 0 ECADHL C[C@@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824406301 587872797 /nfs/dbraw/zinc/87/27/97/587872797.db2.gz HFIOEDWSIJRXRA-LURJTMIESA-N -2 3 333.320 0.194 20 0 ECADHL C[C@@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824406301 587872799 /nfs/dbraw/zinc/87/27/99/587872799.db2.gz HFIOEDWSIJRXRA-LURJTMIESA-N -2 3 333.320 0.194 20 0 ECADHL C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824432856 587873970 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0.714 20 0 ECADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825234034 587925888 /nfs/dbraw/zinc/92/58/88/587925888.db2.gz VMNIUTZPYMOWIK-QMMMGPOBSA-N -2 3 326.382 0.691 20 0 ECADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825234034 587925889 /nfs/dbraw/zinc/92/58/89/587925889.db2.gz VMNIUTZPYMOWIK-QMMMGPOBSA-N -2 3 326.382 0.691 20 0 ECADHL C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2nnc3ccccc3c2[O-])CCO1 ZINC000825346895 587934022 /nfs/dbraw/zinc/93/40/22/587934022.db2.gz YYVHKWRPUYBIIE-BXKDBHETSA-N -2 3 346.343 0.833 20 0 ECADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000825503226 587946524 /nfs/dbraw/zinc/94/65/24/587946524.db2.gz PXUJFCVEUTVNKF-DTWKUNHWSA-N -2 3 348.402 0.710 20 0 ECADHL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825914393 587972746 /nfs/dbraw/zinc/97/27/46/587972746.db2.gz CNZQRMQNMPIOQC-UHFFFAOYSA-N -2 3 329.313 0.101 20 0 ECADHL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825914393 587972747 /nfs/dbraw/zinc/97/27/47/587972747.db2.gz CNZQRMQNMPIOQC-UHFFFAOYSA-N -2 3 329.313 0.101 20 0 ECADHL CN(CCCC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825918947 587972778 /nfs/dbraw/zinc/97/27/78/587972778.db2.gz QDIVTNONBNOTHN-UHFFFAOYSA-N -2 3 339.377 0.493 20 0 ECADHL CN(CCCC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825918947 587972780 /nfs/dbraw/zinc/97/27/80/587972780.db2.gz QDIVTNONBNOTHN-UHFFFAOYSA-N -2 3 339.377 0.493 20 0 ECADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826147714 587998747 /nfs/dbraw/zinc/99/87/47/587998747.db2.gz JIMSEKVHMUIOMD-UHFFFAOYSA-N -2 3 339.377 0.344 20 0 ECADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826147714 587998748 /nfs/dbraw/zinc/99/87/48/587998748.db2.gz JIMSEKVHMUIOMD-UHFFFAOYSA-N -2 3 339.377 0.344 20 0 ECADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826149156 587999209 /nfs/dbraw/zinc/99/92/09/587999209.db2.gz AQBXFAXLZSCGFG-VIFPVBQESA-N -2 3 339.377 0.270 20 0 ECADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826149156 587999210 /nfs/dbraw/zinc/99/92/10/587999210.db2.gz AQBXFAXLZSCGFG-VIFPVBQESA-N -2 3 339.377 0.270 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000826254966 588016844 /nfs/dbraw/zinc/01/68/44/588016844.db2.gz HCPCDNHIMLVXQD-QMMMGPOBSA-N -2 3 325.350 0.269 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000826254966 588016846 /nfs/dbraw/zinc/01/68/46/588016846.db2.gz HCPCDNHIMLVXQD-QMMMGPOBSA-N -2 3 325.350 0.269 20 0 ECADHL Cc1ccnc2nc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])nn21 ZINC000826314758 588023543 /nfs/dbraw/zinc/02/35/43/588023543.db2.gz LRDDHXNQGTUXDU-UHFFFAOYSA-N -2 3 337.303 0.571 20 0 ECADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826461226 588053699 /nfs/dbraw/zinc/05/36/99/588053699.db2.gz LTXKQIOVMFXBJP-ZETCQYMHSA-N -2 3 341.324 0.101 20 0 ECADHL O=C([O-])CCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826461231 588053922 /nfs/dbraw/zinc/05/39/22/588053922.db2.gz MCAUGYCDIKAVJO-UHFFFAOYSA-N -2 3 331.741 0.273 20 0 ECADHL O=C([O-])CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826461231 588053924 /nfs/dbraw/zinc/05/39/24/588053924.db2.gz MCAUGYCDIKAVJO-UHFFFAOYSA-N -2 3 331.741 0.273 20 0 ECADHL O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826476020 588056422 /nfs/dbraw/zinc/05/64/22/588056422.db2.gz YXVWXAXKXJAKOJ-SSDOTTSWSA-N -2 3 331.365 0.461 20 0 ECADHL O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826476020 588056424 /nfs/dbraw/zinc/05/64/24/588056424.db2.gz YXVWXAXKXJAKOJ-SSDOTTSWSA-N -2 3 331.365 0.461 20 0 ECADHL O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826476020 588056426 /nfs/dbraw/zinc/05/64/26/588056426.db2.gz YXVWXAXKXJAKOJ-SSDOTTSWSA-N -2 3 331.365 0.461 20 0 ECADHL CC(C)C[C@H]([N-]S(=O)(=O)N(C)CCC(=O)[O-])C(=O)OC(C)C ZINC000826909512 588088939 /nfs/dbraw/zinc/08/89/39/588088939.db2.gz AHDXFEQAXBNQTR-NSHDSACASA-N -2 3 338.426 0.594 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NCCN(C(=O)[O-])C2CC2)c(C)o1 ZINC000828579410 588191250 /nfs/dbraw/zinc/19/12/50/588191250.db2.gz LVUVGZCFLFTNOK-UHFFFAOYSA-N -2 3 345.377 0.368 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](NC(=O)[O-])C(C)C)oc1C ZINC000828761681 588203526 /nfs/dbraw/zinc/20/35/26/588203526.db2.gz YVGWYTHZTZJZCG-JTQLQIEISA-N -2 3 348.377 0.945 20 0 ECADHL Cc1cc(CS(=O)(=O)[N-]C[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])no1 ZINC000830044539 588356665 /nfs/dbraw/zinc/35/66/65/588356665.db2.gz IHQODKZSKAXODB-GXSJLCMTSA-N -2 3 347.393 0.906 20 0 ECADHL Cn1c(=O)[n-]c(=O)c2cc(C(=O)OC[C@@H]3CCCN3C(=O)[O-])cnc21 ZINC000830963607 588395597 /nfs/dbraw/zinc/39/55/97/588395597.db2.gz KUGOMYDCNDOIFG-VIFPVBQESA-N -2 3 348.315 0.333 20 0 ECADHL Cn1c(=O)[n-]c(=O)c2cc(C(=O)OC[C@H]3CCN(C(=O)[O-])C3)cnc21 ZINC000830964783 588395709 /nfs/dbraw/zinc/39/57/09/588395709.db2.gz WVHPAEGWENYVJC-QMMMGPOBSA-N -2 3 348.315 0.191 20 0 ECADHL Cn1cc(S(=O)(=O)[N-][C@](C)(CNC(=O)[O-])C2CC2)nc1Cl ZINC000831013903 588399221 /nfs/dbraw/zinc/39/92/21/588399221.db2.gz DWPZMYYTZDOUGP-LLVKDONJSA-N -2 3 336.801 0.788 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCCN(C)C1=O ZINC000831934782 588457403 /nfs/dbraw/zinc/45/74/03/588457403.db2.gz VDPAGGSQUKYYME-SSDOTTSWSA-N -2 3 348.402 0.354 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(=O)NC(C)C ZINC000831934602 588457482 /nfs/dbraw/zinc/45/74/82/588457482.db2.gz QKDGQHKWCFRMKC-UHFFFAOYSA-N -2 3 336.391 0.258 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(=O)NC1CC1 ZINC000831933860 588457543 /nfs/dbraw/zinc/45/75/43/588457543.db2.gz ACKSPWXEZDMFHX-UHFFFAOYSA-N -2 3 334.375 0.012 20 0 ECADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)[C@H](C)N2CCOCC2)cc1C(=O)[O-] ZINC000833028266 588515205 /nfs/dbraw/zinc/51/52/05/588515205.db2.gz NFRPVNTVDFZVNE-UWVGGRQHSA-N -2 3 346.405 0.674 20 0 ECADHL Cc1sc(C(=O)[O-])cc1COC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000833030654 588515269 /nfs/dbraw/zinc/51/52/69/588515269.db2.gz BUTWXEZLFWOHDH-QMMMGPOBSA-N -2 3 326.330 0.786 20 0 ECADHL 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OIXKCCVQIWJOQZ-UHFFFAOYSA-N -2 3 344.253 0.207 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823285387 587714398 /nfs/dbraw/zinc/71/43/98/587714398.db2.gz RQFKMPZZCXZCOB-VXGBXAGGSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823285387 587714399 /nfs/dbraw/zinc/71/43/99/587714399.db2.gz RQFKMPZZCXZCOB-VXGBXAGGSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823285383 587714420 /nfs/dbraw/zinc/71/44/20/587714420.db2.gz RQFKMPZZCXZCOB-NEPJUHHUSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823285383 587714421 /nfs/dbraw/zinc/71/44/21/587714421.db2.gz RQFKMPZZCXZCOB-NEPJUHHUSA-N -2 3 333.373 0.718 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCCO1 ZINC000823284759 587714500 /nfs/dbraw/zinc/71/45/00/587714500.db2.gz JFTIAQFNFBXGLE-LLVKDONJSA-N -2 3 337.361 0.241 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCO1 ZINC000823284759 587714501 /nfs/dbraw/zinc/71/45/01/587714501.db2.gz JFTIAQFNFBXGLE-LLVKDONJSA-N -2 3 337.361 0.241 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CC12CCC2 ZINC000823285184 587714600 /nfs/dbraw/zinc/71/46/00/587714600.db2.gz NTRKNVDDFVMZPZ-LLVKDONJSA-N -2 3 333.373 0.862 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CC12CCC2 ZINC000823285184 587714602 /nfs/dbraw/zinc/71/46/02/587714602.db2.gz NTRKNVDDFVMZPZ-LLVKDONJSA-N -2 3 333.373 0.862 20 0 ECADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(-n2ccnc2)nn1 ZINC000823294748 587714684 /nfs/dbraw/zinc/71/46/84/587714684.db2.gz PWTIGUHPAAXPAL-UHFFFAOYSA-N -2 3 349.314 0.800 20 0 ECADHL CC(C)(CNC(=O)CC[N-]S(=O)(=O)c1cccs1)NC(=O)[O-] ZINC000823912288 587843843 /nfs/dbraw/zinc/84/38/43/587843843.db2.gz MUPAWOKWOYGKKF-UHFFFAOYSA-N -2 3 349.434 0.579 20 0 ECADHL C[C@H](CN(C)C(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000824412827 587872755 /nfs/dbraw/zinc/87/27/55/587872755.db2.gz GOAPZGMDAXNHFF-ZJUUUORDSA-N -2 3 333.348 0.813 20 0 ECADHL C[C@H](CN(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824412827 587872757 /nfs/dbraw/zinc/87/27/57/587872757.db2.gz GOAPZGMDAXNHFF-ZJUUUORDSA-N -2 3 333.348 0.813 20 0 ECADHL C[C@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824406302 587872817 /nfs/dbraw/zinc/87/28/17/587872817.db2.gz HFIOEDWSIJRXRA-ZCFIWIBFSA-N -2 3 333.320 0.194 20 0 ECADHL C[C@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824406302 587872819 /nfs/dbraw/zinc/87/28/19/587872819.db2.gz HFIOEDWSIJRXRA-ZCFIWIBFSA-N -2 3 333.320 0.194 20 0 ECADHL C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000824875032 587899800 /nfs/dbraw/zinc/89/98/00/587899800.db2.gz YNUJTUARLQGQFN-JDNHERCYSA-N -2 3 348.359 0.926 20 0 ECADHL C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1cccc2nonc21)C1CC1 ZINC000824952283 587905324 /nfs/dbraw/zinc/90/53/24/587905324.db2.gz MGQFXUBHZALVBX-ZDUSSCGKSA-N -2 3 340.361 0.937 20 0 ECADHL CC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])N1CCCC1=O ZINC000825038766 587913252 /nfs/dbraw/zinc/91/32/52/587913252.db2.gz HWTGUUNOYVZDRA-NSHDSACASA-N -2 3 330.348 0.912 20 0 ECADHL C[C@H](NC(=O)[O-])c1ccc(CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000825377691 587936761 /nfs/dbraw/zinc/93/67/61/587936761.db2.gz IYBKWWVWNPNFHD-JOYOIKCWSA-N -2 3 348.359 0.620 20 0 ECADHL C[C@]1(C(=O)OCC(=O)[N-]C(=O)c2cccs2)CCN(C(=O)[O-])C1 ZINC000825684469 587956141 /nfs/dbraw/zinc/95/61/41/587956141.db2.gz HISGSIXUPGBMJI-AWEZNQCLSA-N -2 3 340.357 0.938 20 0 ECADHL CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000825680250 587956193 /nfs/dbraw/zinc/95/61/93/587956193.db2.gz YNLFBXWEYRHPMK-MRVPVSSYSA-N -2 3 329.313 0.147 20 0 ECADHL C[C@@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)[C@@H]1CNC(=O)[O-] ZINC000825932161 587973945 /nfs/dbraw/zinc/97/39/45/587973945.db2.gz PMFNSQWBHFKKKH-MWLCHTKSSA-N -2 3 334.380 0.937 20 0 ECADHL C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCN1C(=O)[O-] ZINC000826014689 587980737 /nfs/dbraw/zinc/98/07/37/587980737.db2.gz LSRKSWZCHKPIJY-MRVPVSSYSA-N -2 3 332.316 0.786 20 0 ECADHL COCC(=O)N[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])C(C)C ZINC000826147829 587998330 /nfs/dbraw/zinc/99/83/30/587998330.db2.gz NKJSIJLINMVCLS-ZDUSSCGKSA-N -2 3 348.363 0.298 20 0 ECADHL COc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c(C)nn1C ZINC000826166512 588003972 /nfs/dbraw/zinc/00/39/72/588003972.db2.gz OFRZNPCFPXLMSV-UHFFFAOYSA-N -2 3 329.320 0.875 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000826254858 588016820 /nfs/dbraw/zinc/01/68/20/588016820.db2.gz CTFXDNDJCARCFI-JTQLQIEISA-N -2 3 337.361 0.270 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000826254858 588016822 /nfs/dbraw/zinc/01/68/22/588016822.db2.gz CTFXDNDJCARCFI-JTQLQIEISA-N -2 3 337.361 0.270 20 0 ECADHL O=C([O-])[C@@H](CC1CC1)NC(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826417447 588045619 /nfs/dbraw/zinc/04/56/19/588045619.db2.gz RGPMBTGEBQRUDA-GFCCVEGCSA-N -2 3 331.332 0.615 20 0 ECADHL O=C([O-])[C@@H](CC1CC1)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826417447 588045620 /nfs/dbraw/zinc/04/56/20/588045620.db2.gz RGPMBTGEBQRUDA-GFCCVEGCSA-N -2 3 331.332 0.615 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccccc1F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450658 588053580 /nfs/dbraw/zinc/05/35/80/588053580.db2.gz XLKHSDWOBLCBPK-UHFFFAOYSA-N -2 3 336.308 0.453 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450658 588053582 /nfs/dbraw/zinc/05/35/82/588053582.db2.gz XLKHSDWOBLCBPK-UHFFFAOYSA-N -2 3 336.308 0.453 20 0 ECADHL O=C1OCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc21 ZINC000826483698 588058802 /nfs/dbraw/zinc/05/88/02/588058802.db2.gz XABBZHPNLJFATR-UHFFFAOYSA-N -2 3 347.316 0.061 20 0 ECADHL O=S(=O)([N-]c1ccncc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492769 588062353 /nfs/dbraw/zinc/06/23/53/588062353.db2.gz CEXAPFXCLLDRQA-UHFFFAOYSA-N -2 3 338.299 0.763 20 0 ECADHL O=S(=O)([N-]c1ccc2nncn2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826493116 588062573 /nfs/dbraw/zinc/06/25/73/588062573.db2.gz UMXPPNDUGBFETR-UHFFFAOYSA-N -2 3 342.344 0.710 20 0 ECADHL O=S(=O)([N-]c1ccc2nncn2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493116 588062574 /nfs/dbraw/zinc/06/25/74/588062574.db2.gz UMXPPNDUGBFETR-UHFFFAOYSA-N -2 3 342.344 0.710 20 0 ECADHL O=c1cc(CSc2cccnn2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC000826510698 588066207 /nfs/dbraw/zinc/06/62/07/588066207.db2.gz GMSJRKGTSRTMFX-UHFFFAOYSA-N -2 3 327.333 0.697 20 0 ECADHL O=c1cc(CSc2cccnn2)nc2c(-c3nn[n-]n3)c[n-]n21 ZINC000826510698 588066209 /nfs/dbraw/zinc/06/62/09/588066209.db2.gz GMSJRKGTSRTMFX-UHFFFAOYSA-N -2 3 327.333 0.697 20 0 ECADHL CC(C)(CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000826577352 588071467 /nfs/dbraw/zinc/07/14/67/588071467.db2.gz VQCLTDLGTQCBFO-UHFFFAOYSA-N -2 3 349.387 0.970 20 0 ECADHL CN(C(=O)[O-])[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000827840455 588143260 /nfs/dbraw/zinc/14/32/60/588143260.db2.gz BZDGMSGNILEKNB-SECBINFHSA-N -2 3 347.418 0.237 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H](C)NC(=O)[O-])c(C)o1 ZINC000828578514 588190753 /nfs/dbraw/zinc/19/07/53/588190753.db2.gz BGAIMESRLNRNHT-ZETCQYMHSA-N -2 3 333.366 0.272 20 0 ECADHL COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000828805052 588205165 /nfs/dbraw/zinc/20/51/65/588205165.db2.gz SKAARQRVWWNYIQ-ZETCQYMHSA-N -2 3 343.361 0.588 20 0 ECADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC000829706724 588337108 /nfs/dbraw/zinc/33/71/08/588337108.db2.gz LEKNEFUQOOJJTR-UHFFFAOYSA-N -2 3 338.389 0.712 20 0 ECADHL CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829827800 588343235 /nfs/dbraw/zinc/34/32/35/588343235.db2.gz RBSADUAAQHFBDM-DGCLKSJQSA-N -2 3 343.401 0.801 20 0 ECADHL Cn1ncc2c1nc(COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[n-]c2=O ZINC000831055166 588401768 /nfs/dbraw/zinc/40/17/68/588401768.db2.gz PUEAMWWEWXWGMP-CYBMUJFWSA-N -2 3 339.283 0.204 20 0 ECADHL O=C([O-])N1CCC[C@@H]1CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000831332781 588421695 /nfs/dbraw/zinc/42/16/95/588421695.db2.gz AJKGRACAEVUMAJ-GFCCVEGCSA-N -2 3 335.360 0.771 20 0 ECADHL O=C([O-])N1CC[C@H](COC(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000831492588 588429085 /nfs/dbraw/zinc/42/90/85/588429085.db2.gz HNEKWIZZUCHONE-VIFPVBQESA-N -2 3 348.402 0.570 20 0 ECADHL COC[C@](C)(CC(=O)[O-])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000831559410 588433646 /nfs/dbraw/zinc/43/36/46/588433646.db2.gz QFIDJNCTDHEZAA-HNNXBMFYSA-N -2 3 335.316 0.572 20 0 ECADHL COC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC ZINC000831631538 588438733 /nfs/dbraw/zinc/43/87/33/588438733.db2.gz KMBWDFZNCHVWMK-GFCCVEGCSA-N -2 3 335.334 0.143 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1CCN(C)CC1 ZINC000831934882 588457505 /nfs/dbraw/zinc/45/75/05/588457505.db2.gz ZOQXZAMWNJCVGE-UHFFFAOYSA-N -2 3 334.419 0.827 20 0 ECADHL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(=O)n(C)c1 ZINC000832899906 588509753 /nfs/dbraw/zinc/50/97/53/588509753.db2.gz UYFJBBDHTCGFFX-UHFFFAOYSA-N -2 3 329.359 0.649 20 0 ECADHL 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588948323 /nfs/dbraw/zinc/94/83/23/588948323.db2.gz JUNINXMCTXDQBC-SECBINFHSA-N -2 3 339.728 0.828 20 0 ECADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cc1OC ZINC000837296979 588948491 /nfs/dbraw/zinc/94/84/91/588948491.db2.gz WDCFUXYVBVWIBE-SSDOTTSWSA-N -2 3 325.289 0.544 20 0 ECADHL C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCC(=O)N1 ZINC000840899173 588974989 /nfs/dbraw/zinc/97/49/89/588974989.db2.gz ZSZHCIWOAJXLLR-ZDUSSCGKSA-N -2 3 330.337 0.471 20 0 ECADHL CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000840889020 588974390 /nfs/dbraw/zinc/97/43/90/588974390.db2.gz DNDSWPHRUWIXRX-ZYHUDNBSSA-N -2 3 347.364 0.854 20 0 ECADHL COC(=O)c1ncccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1 ZINC000841776361 589000457 /nfs/dbraw/zinc/00/04/57/589000457.db2.gz IQGJKAXDRSZJOR-UHFFFAOYSA-N -2 3 342.373 0.934 20 0 ECADHL C[C@](O)(C[N-]S(=O)(=O)C1=Cc2ccccc2OCC1)C(=O)[O-] ZINC000841783295 589000908 /nfs/dbraw/zinc/00/09/08/589000908.db2.gz ROLASOMXVZRUPS-AWEZNQCLSA-N -2 3 327.358 0.565 20 0 ECADHL CCOc1nc2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)ccc2[n-]1 ZINC000838802108 586822691 /nfs/dbraw/zinc/82/26/91/586822691.db2.gz LPOBCKFZWOGINM-JTQLQIEISA-N -2 3 339.373 0.810 20 0 ECADHL C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F)[C@H]1CN(C)CCO1 ZINC000906897318 586994417 /nfs/dbraw/zinc/99/44/17/586994417.db2.gz YMBIICNPVODGLW-GXSJLCMTSA-N -2 3 346.380 0.521 20 0 ECADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cncc(I)c1 ZINC000816731127 587321437 /nfs/dbraw/zinc/32/14/37/587321437.db2.gz CEDBKDOGHGLGOK-UHFFFAOYSA-N -2 3 347.072 0.073 20 0 ECADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccnn1C ZINC000819090008 587467983 /nfs/dbraw/zinc/46/79/83/587467983.db2.gz QWHGDDPVWDDXAI-QMMMGPOBSA-N -2 3 347.784 0.220 20 0 ECADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820112273 587510243 /nfs/dbraw/zinc/51/02/43/587510243.db2.gz PIBVSKYHICRDFB-UHFFFAOYSA-N -2 3 330.395 0.243 20 0 ECADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820112273 587510244 /nfs/dbraw/zinc/51/02/44/587510244.db2.gz PIBVSKYHICRDFB-UHFFFAOYSA-N -2 3 330.395 0.243 20 0 ECADHL CCN(C)S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000821164388 587576097 /nfs/dbraw/zinc/57/60/97/587576097.db2.gz DHFCVHFKXVASNN-UHFFFAOYSA-N -2 3 328.402 0.427 20 0 ECADHL CCN(C)S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000821164388 587576099 /nfs/dbraw/zinc/57/60/99/587576099.db2.gz DHFCVHFKXVASNN-UHFFFAOYSA-N -2 3 328.402 0.427 20 0 ECADHL CCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1ccnn1C ZINC000821309761 587583979 /nfs/dbraw/zinc/58/39/79/587583979.db2.gz RYISPLQKYDWGAU-UHFFFAOYSA-N -2 3 348.392 0.833 20 0 ECADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccnn1C ZINC000821309761 587583980 /nfs/dbraw/zinc/58/39/80/587583980.db2.gz RYISPLQKYDWGAU-UHFFFAOYSA-N -2 3 348.392 0.833 20 0 ECADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821920392 587635809 /nfs/dbraw/zinc/63/58/09/587635809.db2.gz QMEWEDACEUULCV-UHFFFAOYSA-N -2 3 347.360 0.775 20 0 ECADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821920392 587635811 /nfs/dbraw/zinc/63/58/11/587635811.db2.gz QMEWEDACEUULCV-UHFFFAOYSA-N -2 3 347.360 0.775 20 0 ECADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000822444183 587659881 /nfs/dbraw/zinc/65/98/81/587659881.db2.gz FSEDIHFBWUXPFD-UHFFFAOYSA-N -2 3 339.312 0.176 20 0 ECADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000822444183 587659883 /nfs/dbraw/zinc/65/98/83/587659883.db2.gz FSEDIHFBWUXPFD-UHFFFAOYSA-N -2 3 339.312 0.176 20 0 ECADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)CCc2ccccc2)n1 ZINC000822619670 587669970 /nfs/dbraw/zinc/66/99/70/587669970.db2.gz DXEURVPBFLKZLA-UHFFFAOYSA-N -2 3 333.377 0.585 20 0 ECADHL Cn1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)nc1Cl ZINC000822685122 587674614 /nfs/dbraw/zinc/67/46/14/587674614.db2.gz SMERVTKCUMRXMO-UHFFFAOYSA-N -2 3 346.785 0.511 20 0 ECADHL O=C(NCCCc1n[nH]c(=O)[n-]1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823196602 587709083 /nfs/dbraw/zinc/70/90/83/587709083.db2.gz IYXATMFTHPJALG-UHFFFAOYSA-N -2 3 329.324 0.445 20 0 ECADHL O=C(NCCCc1n[nH]c(=O)[n-]1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823196602 587709084 /nfs/dbraw/zinc/70/90/84/587709084.db2.gz IYXATMFTHPJALG-UHFFFAOYSA-N -2 3 329.324 0.445 20 0 ECADHL O=C([N-]S(=O)(=O)C1CCCC1)c1sccc1-c1nnn[n-]1 ZINC000823285437 587714475 /nfs/dbraw/zinc/71/44/75/587714475.db2.gz TVOQWFMLEAKZKU-UHFFFAOYSA-N -2 3 327.391 0.930 20 0 ECADHL O=C([N-]S(=O)(=O)C1CCCC1)c1sccc1-c1nn[n-]n1 ZINC000823285437 587714477 /nfs/dbraw/zinc/71/44/77/587714477.db2.gz TVOQWFMLEAKZKU-UHFFFAOYSA-N -2 3 327.391 0.930 20 0 ECADHL CC(=O)N1CC[C@](C)(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])C1 ZINC000823974754 587846413 /nfs/dbraw/zinc/84/64/13/587846413.db2.gz RIZRWCZMKXFGJP-HNNXBMFYSA-N -2 3 330.348 0.769 20 0 ECADHL C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000824412825 587872903 /nfs/dbraw/zinc/87/29/03/587872903.db2.gz GOAPZGMDAXNHFF-VHSXEESVSA-N -2 3 333.348 0.813 20 0 ECADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000824412825 587872905 /nfs/dbraw/zinc/87/29/05/587872905.db2.gz GOAPZGMDAXNHFF-VHSXEESVSA-N -2 3 333.348 0.813 20 0 ECADHL C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824545791 587879766 /nfs/dbraw/zinc/87/97/66/587879766.db2.gz ZYCJVWUHCFOXOY-WCQYABFASA-N -2 3 335.408 0.899 20 0 ECADHL C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000824731394 587890674 /nfs/dbraw/zinc/89/06/74/587890674.db2.gz VOMQAKYKVQAXEI-HWPZZCPQSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000824731394 587890676 /nfs/dbraw/zinc/89/06/76/587890676.db2.gz VOMQAKYKVQAXEI-HWPZZCPQSA-N -2 3 345.359 0.957 20 0 ECADHL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824796865 587894803 /nfs/dbraw/zinc/89/48/03/587894803.db2.gz TUYYPFYSSOUZRE-NSHDSACASA-N -2 3 335.389 0.859 20 0 ECADHL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824796865 587894805 /nfs/dbraw/zinc/89/48/05/587894805.db2.gz TUYYPFYSSOUZRE-NSHDSACASA-N -2 3 335.389 0.859 20 0 ECADHL C[C@H](CNC(=O)[O-])N(C)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000824967750 587906033 /nfs/dbraw/zinc/90/60/33/587906033.db2.gz VQABVIJZMVBMOE-ABKXIKBNSA-N -2 3 348.359 0.469 20 0 ECADHL C[C@@H](COC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1)NC(=O)[O-] ZINC000825001433 587910840 /nfs/dbraw/zinc/91/08/40/587910840.db2.gz JAPQQPQMLCVNHF-ZETCQYMHSA-N -2 3 348.315 0.645 20 0 ECADHL C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825020144 587912626 /nfs/dbraw/zinc/91/26/26/587912626.db2.gz IUIXCAJSHGYZAL-WKEGUHRASA-N -2 3 345.331 0.601 20 0 ECADHL C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825020144 587912627 /nfs/dbraw/zinc/91/26/27/587912627.db2.gz IUIXCAJSHGYZAL-WKEGUHRASA-N -2 3 345.331 0.601 20 0 ECADHL C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])CCO1 ZINC000825346896 587934093 /nfs/dbraw/zinc/93/40/93/587934093.db2.gz YYVHKWRPUYBIIE-CABZTGNLSA-N -2 3 346.343 0.833 20 0 ECADHL C[C@@]1(c2ccc(CNC(=O)C3(NC(=O)[O-])CC3)cc2)NC(=O)[N-]C1=O ZINC000825766037 587959991 /nfs/dbraw/zinc/95/99/91/587959991.db2.gz GRSLNHRHHSDGEE-HNNXBMFYSA-N -2 3 346.343 0.158 20 0 ECADHL C[C@]1(c2cccc(C(=O)N3CC[C@H](NC(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000825766079 587960103 /nfs/dbraw/zinc/96/01/03/587960103.db2.gz HZYIIVILGRCDJK-MEDUHNTESA-N -2 3 346.343 0.223 20 0 ECADHL C[C@@]1(c2ccc(C(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2)NC(=O)[N-]C1=O ZINC000825766259 587960311 /nfs/dbraw/zinc/96/03/11/587960311.db2.gz NGBCRMISXKLROI-BZNIZROVSA-N -2 3 346.343 0.223 20 0 ECADHL CC(=O)c1[nH]c(CC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c(C(=O)[O-])c1C ZINC000825937634 587974602 /nfs/dbraw/zinc/97/46/02/587974602.db2.gz ZZPSFNCVMHAXNL-UHFFFAOYSA-N -2 3 348.315 0.915 20 0 ECADHL CC(C)(C(=O)[O-])[C@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000826089195 587990289 /nfs/dbraw/zinc/99/02/89/587990289.db2.gz JXEVLILWLDQGNH-WCQYABFASA-N -2 3 347.371 0.943 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000826279217 588019336 /nfs/dbraw/zinc/01/93/36/588019336.db2.gz JJNLLYWGPDYWAI-JTQLQIEISA-N -2 3 337.361 0.270 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000826279217 588019338 /nfs/dbraw/zinc/01/93/38/588019338.db2.gz JJNLLYWGPDYWAI-JTQLQIEISA-N -2 3 337.361 0.270 20 0 ECADHL O=C([N-]OCc1cccnc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826449784 588052593 /nfs/dbraw/zinc/05/25/93/588052593.db2.gz JRWPZULCHYISJK-UHFFFAOYSA-N -2 3 339.315 0.448 20 0 ECADHL O=C([N-]OCc1cccnc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826449784 588052596 /nfs/dbraw/zinc/05/25/96/588052596.db2.gz JRWPZULCHYISJK-UHFFFAOYSA-N -2 3 339.315 0.448 20 0 ECADHL O=c1[n-]cnc2c1CCN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000826501509 588064789 /nfs/dbraw/zinc/06/47/89/588064789.db2.gz TXQQCHNVYDTVBO-UHFFFAOYSA-N -2 3 347.342 0.868 20 0 ECADHL O=c1[n-]cnc2c1CCN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000826501509 588064790 /nfs/dbraw/zinc/06/47/90/588064790.db2.gz TXQQCHNVYDTVBO-UHFFFAOYSA-N -2 3 347.342 0.868 20 0 ECADHL CCN(CC(=O)OCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)C(=O)[O-] ZINC000827014292 588095568 /nfs/dbraw/zinc/09/55/68/588095568.db2.gz BFYZKHPTFDLISR-JTQLQIEISA-N -2 3 338.364 0.758 20 0 ECADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CN1CCN(C)CC1 ZINC000827507235 588124579 /nfs/dbraw/zinc/12/45/79/588124579.db2.gz GMZPGRFAYKRYCW-LLVKDONJSA-N -2 3 345.421 0.140 20 0 ECADHL C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1=O ZINC000828201319 588165816 /nfs/dbraw/zinc/16/58/16/588165816.db2.gz RCEFAXPGAPYVOQ-QNSHHTMESA-N -2 3 344.414 0.734 20 0 ECADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H](C)NC(=O)[O-] ZINC000828740301 588202157 /nfs/dbraw/zinc/20/21/57/588202157.db2.gz RMXLZVIOEFNESR-MRVPVSSYSA-N -2 3 348.352 0.937 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]CCN(C(=O)[O-])C2CC2)oc1C ZINC000828760926 588203218 /nfs/dbraw/zinc/20/32/18/588203218.db2.gz LPNXTJMGHMOGRM-UHFFFAOYSA-N -2 3 346.361 0.795 20 0 ECADHL CCCCC[C@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000829928618 588348188 /nfs/dbraw/zinc/34/81/88/588348188.db2.gz ILYJNCWJMNKEJX-JTQLQIEISA-N -2 3 331.394 0.977 20 0 ECADHL CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830021732 588354900 /nfs/dbraw/zinc/35/49/00/588354900.db2.gz MMXVOOMNTRXUOU-UHFFFAOYSA-N -2 3 348.352 0.418 20 0 ECADHL CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000830022076 588355075 /nfs/dbraw/zinc/35/50/75/588355075.db2.gz PUQPQJSGNFDGLT-UHFFFAOYSA-N -2 3 344.389 0.588 20 0 ECADHL Cc1nc(C)c(S(=O)(=O)[N-]CCN2CCN(C(=O)[O-])CC2)s1 ZINC000830726770 588383324 /nfs/dbraw/zinc/38/33/24/588383324.db2.gz CUXGGEPSZNRRSZ-UHFFFAOYSA-N -2 3 348.450 0.334 20 0 ECADHL Cc1nc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cn1C ZINC000830775477 588385183 /nfs/dbraw/zinc/38/51/83/588385183.db2.gz PAXZGWLVQXPZBJ-FGWVZKOKSA-N -2 3 328.394 0.680 20 0 ECADHL Cn1ccnc1-c1cc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n[n-]1 ZINC000831031512 588400244 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ECADHL Cc1nc(SCC(=O)NCC(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000737484560 578499465 /nfs/dbraw/zinc/49/94/65/578499465.db2.gz VGFRWOGDBDCQNT-UHFFFAOYSA-N -2 3 336.377 0.480 20 0 ECADHL Cc1nc(SCC(=O)NCC(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000737484560 578499466 /nfs/dbraw/zinc/49/94/66/578499466.db2.gz VGFRWOGDBDCQNT-UHFFFAOYSA-N -2 3 336.377 0.480 20 0 ECADHL COC(=O)C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C(=O)[O-] ZINC000737597918 578510067 /nfs/dbraw/zinc/51/00/67/578510067.db2.gz NDXNTGZQUKBHSV-JTQLQIEISA-N -2 3 345.254 0.603 20 0 ECADHL COC(=O)c1cccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)n1 ZINC000737707508 578518594 /nfs/dbraw/zinc/51/85/94/578518594.db2.gz GPRBEWWWWFMWPY-UHFFFAOYSA-N -2 3 336.329 0.989 20 0 ECADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C/C=C/C(=O)[O-])c1 ZINC000794764367 578599505 /nfs/dbraw/zinc/59/95/05/578599505.db2.gz UALKRLVWOBMDBG-ONEGZZNKSA-N -2 3 331.321 0.922 20 0 ECADHL CC(=O)NCCN(C(=O)c1nnc2ccccc2c1[O-])[C@@H](C)C(=O)[O-] ZINC000781136530 578705504 /nfs/dbraw/zinc/70/55/04/578705504.db2.gz OWWGEUHZQBUUOX-VIFPVBQESA-N -2 3 346.343 0.387 20 0 ECADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-]C/C=C/C(=O)[O-] ZINC000788447155 578837456 /nfs/dbraw/zinc/83/74/56/578837456.db2.gz OFUKVCHPQPJFJB-NSCUHMNNSA-N -2 3 333.337 0.770 20 0 ECADHL COCCO[N-]C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000792321090 578905469 /nfs/dbraw/zinc/90/54/69/578905469.db2.gz OAUOFTVIIUTSOA-UHFFFAOYSA-N -2 3 333.366 0.766 20 0 ECADHL O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)[N-]OCC(F)(F)F ZINC000766762723 579092557 /nfs/dbraw/zinc/09/25/57/579092557.db2.gz OOBYIKVVZZPDQM-UHFFFAOYSA-N -2 3 343.261 0.868 20 0 ECADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000776485609 579282198 /nfs/dbraw/zinc/28/21/98/579282198.db2.gz SZWNTLBDQFJENS-YFKPBYRVSA-N -2 3 339.782 0.163 20 0 ECADHL Cc1nc(S(=O)(=O)[N-][C@@H](CC2CCOCC2)C(=O)[O-])cn1C ZINC000776600437 579286022 /nfs/dbraw/zinc/28/60/22/579286022.db2.gz HXHZFVVMWZZWBV-NSHDSACASA-N -2 3 331.394 0.277 20 0 ECADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000760116769 579505115 /nfs/dbraw/zinc/50/51/15/579505115.db2.gz NAWKIBWSSUHTBM-VIFPVBQESA-N -2 3 347.393 0.672 20 0 ECADHL O=C([O-])[C@@H](NC(=O)c1nnc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000762238843 579539004 /nfs/dbraw/zinc/53/90/04/579539004.db2.gz XIXJXLXPPKAJKL-SKDRFNHKSA-N -2 3 331.328 0.945 20 0 ECADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738340512 579622034 /nfs/dbraw/zinc/62/20/34/579622034.db2.gz WPXFKJNNCANGLN-UHFFFAOYSA-N -2 3 343.332 0.105 20 0 ECADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738340512 579622035 /nfs/dbraw/zinc/62/20/35/579622035.db2.gz WPXFKJNNCANGLN-UHFFFAOYSA-N -2 3 343.332 0.105 20 0 ECADHL Cc1cccc(C[C@@H](CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)C(=O)[O-])c1 ZINC000738704792 579646005 /nfs/dbraw/zinc/64/60/05/579646005.db2.gz USUVITSCPTWKEB-QWHCGFSZSA-N -2 3 347.371 0.343 20 0 ECADHL Cc1nc(S(=O)(=O)[N-]CCC(=O)O[C@H](C(=O)[O-])C(C)C)cn1C ZINC000738868240 579653334 /nfs/dbraw/zinc/65/33/34/579653334.db2.gz FXJMBCJFAXRJRI-LBPRGKRZSA-N -2 3 347.393 0.049 20 0 ECADHL C[C@@H](NC(=O)[O-])C1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1 ZINC000739014483 579661574 /nfs/dbraw/zinc/66/15/74/579661574.db2.gz JWNGQEZXYGRELJ-SECBINFHSA-N -2 3 334.380 0.937 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000739040041 579662863 /nfs/dbraw/zinc/66/28/63/579662863.db2.gz PXUJFCVEUTVNKF-BDAKNGLRSA-N -2 3 348.402 0.710 20 0 ECADHL C[C@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)CC[C@H]1NC(=O)[O-] ZINC000739137408 579668663 /nfs/dbraw/zinc/66/86/63/579668663.db2.gz VRYDAXCMUZWUNK-GXFFZTMASA-N -2 3 335.360 0.627 20 0 ECADHL C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000739170455 579671643 /nfs/dbraw/zinc/67/16/43/579671643.db2.gz SDHRGHAUEMHXDP-SNVBAGLBSA-N -2 3 341.389 0.882 20 0 ECADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C2CC2)c1 ZINC000739790285 579713314 /nfs/dbraw/zinc/71/33/14/579713314.db2.gz AWZMZIXXMRSLJQ-VIFPVBQESA-N -2 3 348.402 0.859 20 0 ECADHL O=C([O-])NCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000739932566 579722958 /nfs/dbraw/zinc/72/29/58/579722958.db2.gz MQWYKYKXJBFSHD-UHFFFAOYSA-N -2 3 331.325 0.473 20 0 ECADHL Cc1ccc(C(=O)NCCC(=O)NCC[C@H](C)NC(=O)[O-])c([O-])c1 ZINC000740106894 579729798 /nfs/dbraw/zinc/72/97/98/579729798.db2.gz LEYYOPQTFLCUAU-NSHDSACASA-N -2 3 337.376 0.983 20 0 ECADHL Cc1ccc(S(=O)(=O)[N-]CCN2CCN(C(=O)[O-])CC2)c(F)c1 ZINC000740148000 579730747 /nfs/dbraw/zinc/73/07/47/579730747.db2.gz RXYQUGDCXZOZQK-UHFFFAOYSA-N -2 3 345.396 0.708 20 0 ECADHL Cn1ncc2c1nc(COC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])[n-]c2=O ZINC000740298489 579736589 /nfs/dbraw/zinc/73/65/89/579736589.db2.gz UBRIWICTBCKLJU-IONNQARKSA-N -2 3 335.320 0.548 20 0 ECADHL COC(=O)C1(CS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])CCCCC1 ZINC000837294433 588948266 /nfs/dbraw/zinc/94/82/66/588948266.db2.gz KWJDJKANFJEAKG-SECBINFHSA-N -2 3 325.358 0.452 20 0 ECADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cccc3c2OCO3)n1 ZINC000800837131 586974641 /nfs/dbraw/zinc/97/46/41/586974641.db2.gz BIEFWRSYGKSTOV-UHFFFAOYSA-N -2 3 338.345 0.828 20 0 ECADHL COCCN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000906943618 586997015 /nfs/dbraw/zinc/99/70/15/586997015.db2.gz BHRKUVNFXDPXHB-JTQLQIEISA-N -2 3 334.419 0.445 20 0 ECADHL COCCN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000906944488 586997336 /nfs/dbraw/zinc/99/73/36/586997336.db2.gz MMDZDKBXFLNWKW-LLVKDONJSA-N -2 3 346.380 0.523 20 0 ECADHL CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000907016603 587006923 /nfs/dbraw/zinc/00/69/23/587006923.db2.gz JCOXFGKPHQCGFZ-LLVKDONJSA-N -2 3 328.390 0.805 20 0 ECADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(F)F ZINC000809227369 587172457 /nfs/dbraw/zinc/17/24/57/587172457.db2.gz WWVLOUBHLULLHI-MRVPVSSYSA-N -2 3 337.348 0.854 20 0 ECADHL CCCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000844085123 589093046 /nfs/dbraw/zinc/09/30/46/589093046.db2.gz LBCOVUIPDDWVDH-UHFFFAOYSA-N -2 3 349.434 0.120 20 0 ECADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccccc1I ZINC000816730777 587321553 /nfs/dbraw/zinc/32/15/53/587321553.db2.gz PAICMSBVPQACTN-UHFFFAOYSA-N -2 3 346.084 0.678 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000818494946 587435690 /nfs/dbraw/zinc/43/56/90/587435690.db2.gz NLMNKTIIUYYCMG-MRVPVSSYSA-N -2 3 347.418 0.272 20 0 ECADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000819157986 587470766 /nfs/dbraw/zinc/47/07/66/587470766.db2.gz BHRVTPQUPCNWLA-UHFFFAOYSA-N -2 3 342.352 0.922 20 0 ECADHL C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1cccc(-c2nnn[n-]2)c1 ZINC000820385824 587531433 /nfs/dbraw/zinc/53/14/33/587531433.db2.gz UOROXAQYPWSVHR-LURJTMIESA-N -2 3 342.319 0.141 20 0 ECADHL CC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)C(=O)[O-] ZINC000820912989 587563586 /nfs/dbraw/zinc/56/35/86/587563586.db2.gz BIHPJLGLPDZESP-VIFPVBQESA-N -2 3 335.320 0.234 20 0 ECADHL CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC000820912989 587563588 /nfs/dbraw/zinc/56/35/88/587563588.db2.gz BIHPJLGLPDZESP-VIFPVBQESA-N -2 3 335.320 0.234 20 0 ECADHL CC[C@H](NS(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000820926160 587563987 /nfs/dbraw/zinc/56/39/87/587563987.db2.gz PUDZDPXRIHDYGI-JTQLQIEISA-N -2 3 325.350 0.149 20 0 ECADHL CC[C@H](NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820926160 587563988 /nfs/dbraw/zinc/56/39/88/587563988.db2.gz PUDZDPXRIHDYGI-JTQLQIEISA-N -2 3 325.350 0.149 20 0 ECADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C ZINC000821245832 587579651 /nfs/dbraw/zinc/57/96/51/587579651.db2.gz AVIGWICEPFYBGJ-VHSXEESVSA-N -2 3 334.394 0.820 20 0 ECADHL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000821589152 587602841 /nfs/dbraw/zinc/60/28/41/587602841.db2.gz ZPMVCKHSMNPJNI-UHFFFAOYSA-N -2 3 339.377 0.069 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1=COCCC1 ZINC000822222581 587649428 /nfs/dbraw/zinc/64/94/28/587649428.db2.gz MSDFRVJKGRBYFW-UHFFFAOYSA-N -2 3 349.372 0.674 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1=COCCC1 ZINC000822222581 587649430 /nfs/dbraw/zinc/64/94/30/587649430.db2.gz MSDFRVJKGRBYFW-UHFFFAOYSA-N -2 3 349.372 0.674 20 0 ECADHL Cc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822472416 587661879 /nfs/dbraw/zinc/66/18/79/587661879.db2.gz SAZGZKRYGJVOAR-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL Cc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822472416 587661881 /nfs/dbraw/zinc/66/18/81/587661881.db2.gz SAZGZKRYGJVOAR-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL O=C([O-])[C@]1(F)CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000823031564 587698235 /nfs/dbraw/zinc/69/82/35/587698235.db2.gz DRGCLXCRTHJOKS-AWEZNQCLSA-N -2 3 335.295 0.271 20 0 ECADHL O=C([O-])[C@]1(F)CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000823031564 587698236 /nfs/dbraw/zinc/69/82/36/587698236.db2.gz DRGCLXCRTHJOKS-AWEZNQCLSA-N -2 3 335.295 0.271 20 0 ECADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCc1n[nH]c(=O)[n-]1 ZINC000823060421 587700223 /nfs/dbraw/zinc/70/02/23/587700223.db2.gz BISCBOBULICONJ-UHFFFAOYSA-N -2 3 346.376 0.240 20 0 ECADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCc1n[nH]c(=O)[n-]1 ZINC000823060421 587700225 /nfs/dbraw/zinc/70/02/25/587700225.db2.gz BISCBOBULICONJ-UHFFFAOYSA-N -2 3 346.376 0.240 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCSC1 ZINC000823285525 587714480 /nfs/dbraw/zinc/71/44/80/587714480.db2.gz VJMWSPCEUORIBC-VIFPVBQESA-N -2 3 339.402 0.425 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCSC1 ZINC000823285525 587714481 /nfs/dbraw/zinc/71/44/81/587714481.db2.gz VJMWSPCEUORIBC-VIFPVBQESA-N -2 3 339.402 0.425 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H](C)CO ZINC000824432857 587874167 /nfs/dbraw/zinc/87/41/67/587874167.db2.gz AIFGONGMYGTKRP-RNFRBKRXSA-N -2 3 347.347 0.440 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H](C)CO ZINC000824432857 587874168 /nfs/dbraw/zinc/87/41/68/587874168.db2.gz AIFGONGMYGTKRP-RNFRBKRXSA-N -2 3 347.347 0.440 20 0 ECADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000825075845 587915563 /nfs/dbraw/zinc/91/55/63/587915563.db2.gz RIIQMRLLFYUKLM-SECBINFHSA-N -2 3 339.377 0.490 20 0 ECADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000825075845 587915565 /nfs/dbraw/zinc/91/55/65/587915565.db2.gz RIIQMRLLFYUKLM-SECBINFHSA-N -2 3 339.377 0.490 20 0 ECADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825074344 587915800 /nfs/dbraw/zinc/91/58/00/587915800.db2.gz GRLMRCDWPJMPOC-VIFPVBQESA-N -2 3 339.377 0.487 20 0 ECADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825074344 587915801 /nfs/dbraw/zinc/91/58/01/587915801.db2.gz GRLMRCDWPJMPOC-VIFPVBQESA-N -2 3 339.377 0.487 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC000826279019 588019348 /nfs/dbraw/zinc/01/93/48/588019348.db2.gz BWJZOBHXZZXNDD-MRVPVSSYSA-N -2 3 325.350 0.317 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC000826279019 588019349 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CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844785881 589121189 /nfs/dbraw/zinc/12/11/89/589121189.db2.gz CWYPPLUCLVQVPS-BDAKNGLRSA-N -2 3 340.760 0.767 20 0 ECADHL CC(=O)NCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844893074 589124670 /nfs/dbraw/zinc/12/46/70/589124670.db2.gz QCUJUIHVGRSZRU-UHFFFAOYSA-N -2 3 336.316 0.468 20 0 ECADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000848680800 589306661 /nfs/dbraw/zinc/30/66/61/589306661.db2.gz PLHOZUOGAMUOLK-MRVPVSSYSA-N -2 3 341.158 0.935 20 0 ECADHL CC(C)(C)O[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000851016694 589393082 /nfs/dbraw/zinc/39/30/82/589393082.db2.gz BUKDFPSVOZVKCQ-BXKDBHETSA-N -2 3 338.389 0.966 20 0 ECADHL O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)C2 ZINC000851652661 589410214 /nfs/dbraw/zinc/41/02/14/589410214.db2.gz WOZYVNQVARXVDG-KSBSHMNSSA-N -2 3 349.269 0.066 20 0 ECADHL O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)C2 ZINC000851652661 589410216 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/nfs/dbraw/zinc/85/89/30/578858930.db2.gz NHRITDLQZDOUCP-UHFFFAOYSA-N -2 3 339.377 0.920 20 0 ECADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCOCC2)s1 ZINC000776524512 579282874 /nfs/dbraw/zinc/28/28/74/579282874.db2.gz HNYYYHSXQSSVPF-SNVBAGLBSA-N -2 3 334.419 0.918 20 0 ECADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)[O-] ZINC000776535825 579283098 /nfs/dbraw/zinc/28/30/98/579283098.db2.gz AANCPDZCBMYEAD-SNVBAGLBSA-N -2 3 348.446 0.816 20 0 ECADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CC1 ZINC000776573349 579284453 /nfs/dbraw/zinc/28/44/53/579284453.db2.gz IIPIYZJZKMEYGR-SSDOTTSWSA-N -2 3 334.375 0.461 20 0 ECADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])c1 ZINC000776644638 579286865 /nfs/dbraw/zinc/28/68/65/579286865.db2.gz MXQIRTZWEZCKKC-VIFPVBQESA-N -2 3 344.780 0.672 20 0 ECADHL Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)[N-]OCC(F)F ZINC000760142540 579505600 /nfs/dbraw/zinc/50/56/00/579505600.db2.gz UUVQXDFTXDNRTK-UHFFFAOYSA-N -2 3 346.334 0.573 20 0 ECADHL O=C([O-])[C@@H](NC(=O)c1nnc2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000762238837 579539020 /nfs/dbraw/zinc/53/90/20/579539020.db2.gz XIXJXLXPPKAJKL-CABZTGNLSA-N -2 3 331.328 0.945 20 0 ECADHL O=C([O-])[C@H](NC(=O)c1nnc2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000762238840 579539030 /nfs/dbraw/zinc/53/90/30/579539030.db2.gz XIXJXLXPPKAJKL-JOYOIKCWSA-N -2 3 331.328 0.945 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cocn1 ZINC000738139727 579607187 /nfs/dbraw/zinc/60/71/87/579607187.db2.gz OIGQDLPDHOGDSQ-UHFFFAOYSA-N -2 3 334.317 0.115 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cocn1 ZINC000738139727 579607188 /nfs/dbraw/zinc/60/71/88/579607188.db2.gz OIGQDLPDHOGDSQ-UHFFFAOYSA-N -2 3 334.317 0.115 20 0 ECADHL Cc1cccc(C[C@H](CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)C(=O)[O-])c1 ZINC000738704778 579645966 /nfs/dbraw/zinc/64/59/66/579645966.db2.gz USUVITSCPTWKEB-CHWSQXEVSA-N -2 3 347.371 0.343 20 0 ECADHL C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000738997182 579660584 /nfs/dbraw/zinc/66/05/84/579660584.db2.gz RKOSEZOTELKVTJ-IVZWLZJFSA-N -2 3 326.353 0.012 20 0 ECADHL C[C@H](CNC(=O)[O-])N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000739040491 579662958 /nfs/dbraw/zinc/66/29/58/579662958.db2.gz RQVVFMULLZAIOD-BDAKNGLRSA-N -2 3 349.434 0.529 20 0 ECADHL C[C@]1(c2ccc(NC(=O)[C@H]3CCN(C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O ZINC000739069242 579664512 /nfs/dbraw/zinc/66/45/12/579664512.db2.gz DZGKRDBHEINMAM-XXFAHNHDSA-N -2 3 346.343 0.680 20 0 ECADHL O=C([O-])[C@H](NC(=O)CC[C@H]1NC(=O)[N-]C1=O)c1cc(F)ccc1F ZINC000739233277 579676925 /nfs/dbraw/zinc/67/69/25/579676925.db2.gz AYAXUYRJSBVUGF-MWLCHTKSSA-N -2 3 341.270 0.195 20 0 ECADHL CCN(CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000739422766 579686140 /nfs/dbraw/zinc/68/61/40/579686140.db2.gz GJDAGAATLDTMJC-SECBINFHSA-N -2 3 349.434 0.531 20 0 ECADHL O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000739545687 579693504 /nfs/dbraw/zinc/69/35/04/579693504.db2.gz AOVKBGGBYGQQPC-UWVGGRQHSA-N -2 3 342.348 0.926 20 0 ECADHL COCCN(CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000739823723 579716669 /nfs/dbraw/zinc/71/66/69/579716669.db2.gz WGLUUFNWSOJVOZ-UHFFFAOYSA-N -2 3 345.377 0.623 20 0 ECADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCNC(=O)[O-] ZINC000740027830 579727602 /nfs/dbraw/zinc/72/76/02/579727602.db2.gz BRBPJJGQTGMKGR-VIFPVBQESA-N -2 3 347.368 0.266 20 0 ECADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCNc2ncccn2)c1 ZINC000740271363 579735170 /nfs/dbraw/zinc/73/51/70/579735170.db2.gz JMXZBPOSJNOWJQ-UHFFFAOYSA-N -2 3 328.375 0.627 20 0 ECADHL O=C([O-])NC[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000740639771 579756839 /nfs/dbraw/zinc/75/68/39/579756839.db2.gz DRMWXUHIQTZGSR-SECBINFHSA-N -2 3 347.418 0.143 20 0 ECADHL O=C([N-]Cc1cc[nH]n1)C(F)(F)C(F)(F)C(=O)[N-]Cc1cc[nH]n1 ZINC000742539569 579788196 /nfs/dbraw/zinc/78/81/96/579788196.db2.gz BCRQNUAKJAIZKQ-UHFFFAOYSA-N -2 3 348.260 0.336 20 0 ECADHL O=C([O-])NCC1(C(=O)Nc2nnc(SCCO)[n-]2)CCCC1 ZINC000834208189 588889802 /nfs/dbraw/zinc/88/98/02/588889802.db2.gz WTHPBMITRUDDFD-UHFFFAOYSA-N -2 3 329.382 0.656 20 0 ECADHL O=C([O-])NCC1(C(=O)Nc2nc(SCCO)n[n-]2)CCCC1 ZINC000834208189 588889803 /nfs/dbraw/zinc/88/98/03/588889803.db2.gz WTHPBMITRUDDFD-UHFFFAOYSA-N -2 3 329.382 0.656 20 0 ECADHL O=C([O-])NCC1(C(=O)Nc2n[n-]c(SCCO)n2)CCCC1 ZINC000834208189 588889805 /nfs/dbraw/zinc/88/98/05/588889805.db2.gz WTHPBMITRUDDFD-UHFFFAOYSA-N -2 3 329.382 0.656 20 0 ECADHL CC(C)Cn1nccc1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000842792294 589036889 /nfs/dbraw/zinc/03/68/89/589036889.db2.gz LYEAHCIAJVEQIB-UHFFFAOYSA-N -2 3 348.388 0.929 20 0 ECADHL CC1(C)CCN(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000903550117 586787842 /nfs/dbraw/zinc/78/78/42/586787842.db2.gz ORWHOIQAQYNRDS-UHFFFAOYSA-N -2 3 333.435 0.852 20 0 ECADHL CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838912103 586828438 /nfs/dbraw/zinc/82/84/38/586828438.db2.gz CKQFCQLPKLZQEK-GWCFXTLKSA-N -2 3 338.389 0.968 20 0 ECADHL C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000905198139 586877753 /nfs/dbraw/zinc/87/77/53/586877753.db2.gz VUOYLIFDPUBMKG-SNVBAGLBSA-N -2 3 346.380 0.523 20 0 ECADHL CC(C)c1nc(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCCOC2)c[nH]1 ZINC000819107446 587468652 /nfs/dbraw/zinc/46/86/52/587468652.db2.gz IILMKMPTKZQLBZ-CYBMUJFWSA-N -2 3 331.394 0.835 20 0 ECADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)[C@H]1CCCOC1 ZINC000819105803 587468763 /nfs/dbraw/zinc/46/87/63/587468763.db2.gz PIBRYJKHAXKMTO-GWCFXTLKSA-N -2 3 343.405 0.378 20 0 ECADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCOC1 ZINC000819104910 587468786 /nfs/dbraw/zinc/46/87/86/587468786.db2.gz AOQUKFCCCJNTJF-HNNXBMFYSA-N -2 3 339.369 0.973 20 0 ECADHL Cc1cc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)ccc1C(=O)[O-] ZINC000821023557 587570055 /nfs/dbraw/zinc/57/00/55/587570055.db2.gz AIJRAFRWJWSLAW-LLVKDONJSA-N -2 3 332.316 0.461 20 0 ECADHL CCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821088742 587572866 /nfs/dbraw/zinc/57/28/66/587572866.db2.gz UPXZGLCURGMVOR-UHFFFAOYSA-N -2 3 338.393 0.112 20 0 ECADHL CCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821088742 587572867 /nfs/dbraw/zinc/57/28/67/587572867.db2.gz UPXZGLCURGMVOR-UHFFFAOYSA-N -2 3 338.393 0.112 20 0 ECADHL Cn1cnc(S(=O)(=O)[N-]Cc2nc3cc(C(=O)[O-])ccc3[nH]2)c1 ZINC000821237000 587579310 /nfs/dbraw/zinc/57/93/10/587579310.db2.gz BQLBDLZPGBTYHJ-UHFFFAOYSA-N -2 3 335.345 0.473 20 0 ECADHL CCOCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821374659 587589311 /nfs/dbraw/zinc/58/93/11/587589311.db2.gz ZJNJOILULMDJFH-UHFFFAOYSA-N -2 3 339.377 0.239 20 0 ECADHL CCOCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821374659 587589312 /nfs/dbraw/zinc/58/93/12/587589312.db2.gz ZJNJOILULMDJFH-UHFFFAOYSA-N -2 3 339.377 0.239 20 0 ECADHL COC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821682944 587619956 /nfs/dbraw/zinc/61/99/56/587619956.db2.gz QZLORLWNAJJQOH-ZCFIWIBFSA-N -2 3 333.320 0.458 20 0 ECADHL COC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821682944 587619957 /nfs/dbraw/zinc/61/99/57/587619957.db2.gz QZLORLWNAJJQOH-ZCFIWIBFSA-N -2 3 333.320 0.458 20 0 ECADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821682054 587620421 /nfs/dbraw/zinc/62/04/21/587620421.db2.gz YRHYEYVCTDIKLM-SECBINFHSA-N -2 3 339.377 0.344 20 0 ECADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821682054 587620423 /nfs/dbraw/zinc/62/04/23/587620423.db2.gz YRHYEYVCTDIKLM-SECBINFHSA-N -2 3 339.377 0.344 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000821700766 587625216 /nfs/dbraw/zinc/62/52/16/587625216.db2.gz WWGKYWAOIHYBAX-VIFPVBQESA-N -2 3 349.347 0.433 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000821700766 587625217 /nfs/dbraw/zinc/62/52/17/587625217.db2.gz WWGKYWAOIHYBAX-VIFPVBQESA-N -2 3 349.347 0.433 20 0 ECADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)n1 ZINC000822622786 587669980 /nfs/dbraw/zinc/66/99/80/587669980.db2.gz IYGIQUUIFLKXLA-UHFFFAOYSA-N -2 3 345.348 0.277 20 0 ECADHL O=C([N-]OCC(F)(F)F)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823284385 587713896 /nfs/dbraw/zinc/71/38/96/587713896.db2.gz GFKBQQBLCVDKKA-UHFFFAOYSA-N -2 3 348.216 0.554 20 0 ECADHL O=C([N-]OCC(F)(F)F)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823284385 587713897 /nfs/dbraw/zinc/71/38/97/587713897.db2.gz GFKBQQBLCVDKKA-UHFFFAOYSA-N -2 3 348.216 0.554 20 0 ECADHL O=S(=O)([N-]c1c(O)cccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823583332 587732270 /nfs/dbraw/zinc/73/22/70/587732270.db2.gz NIVUTWSAMIAQIL-UHFFFAOYSA-N -2 3 336.308 0.907 20 0 ECADHL O=S(=O)([N-]c1c(O)cccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823583332 587732272 /nfs/dbraw/zinc/73/22/72/587732272.db2.gz NIVUTWSAMIAQIL-UHFFFAOYSA-N -2 3 336.308 0.907 20 0 ECADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1ccc2c(c1)CCO2 ZINC000823582784 587732283 /nfs/dbraw/zinc/73/22/83/587732283.db2.gz ALDQFLRMQYYAPD-UHFFFAOYSA-N -2 3 344.356 0.997 20 0 ECADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)CCO2 ZINC000823582784 587732284 /nfs/dbraw/zinc/73/22/84/587732284.db2.gz ALDQFLRMQYYAPD-UHFFFAOYSA-N -2 3 344.356 0.997 20 0 ECADHL C[C@@H](CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)NC(=O)[O-] ZINC000824697107 587887712 /nfs/dbraw/zinc/88/77/12/587887712.db2.gz YYCFMEDKMZOEDK-VXJOIVPMSA-N -2 3 334.332 0.726 20 0 ECADHL C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000824966262 587905825 /nfs/dbraw/zinc/90/58/25/587905825.db2.gz CJGNJFKGGUZDCY-ABKXIKBNSA-N -2 3 348.359 0.469 20 0 ECADHL C[C@H](COC(=O)CC[N-]S(=O)(=O)c1ccccc1F)NC(=O)[O-] ZINC000824986439 587908102 /nfs/dbraw/zinc/90/81/02/587908102.db2.gz GOZMSFFYKQVDMC-SECBINFHSA-N -2 3 348.352 0.693 20 0 ECADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)ccc2O1 ZINC000825012364 587911962 /nfs/dbraw/zinc/91/19/62/587911962.db2.gz HUYKHXSSWDRPKQ-ZETCQYMHSA-N -2 3 347.360 0.714 20 0 ECADHL C[C@@]1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CCN(C(=O)[O-])C1 ZINC000825664188 587955670 /nfs/dbraw/zinc/95/56/70/587955670.db2.gz YXVYXNIVJLVFCV-MRXNPFEDSA-N -2 3 335.360 0.628 20 0 ECADHL C[C@]1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCN(C(=O)[O-])C1 ZINC000825673426 587956018 /nfs/dbraw/zinc/95/60/18/587956018.db2.gz QFXYFZNXDNICRX-HNNXBMFYSA-N -2 3 330.348 0.873 20 0 ECADHL C[C@]1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCN(C(=O)[O-])C1 ZINC000825673426 587956019 /nfs/dbraw/zinc/95/60/19/587956019.db2.gz QFXYFZNXDNICRX-HNNXBMFYSA-N -2 3 330.348 0.873 20 0 ECADHL CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC000825679768 587956091 /nfs/dbraw/zinc/95/60/91/587956091.db2.gz FHCKZDAVTVGEPG-SECBINFHSA-N -2 3 345.768 0.662 20 0 ECADHL CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000825679768 587956093 /nfs/dbraw/zinc/95/60/93/587956093.db2.gz FHCKZDAVTVGEPG-SECBINFHSA-N -2 3 345.768 0.662 20 0 ECADHL COCCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826157940 588001879 /nfs/dbraw/zinc/00/18/79/588001879.db2.gz SFEAVAPKYDIMAO-JTQLQIEISA-N -2 3 349.347 0.194 20 0 ECADHL COCCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826157940 588001881 /nfs/dbraw/zinc/00/18/81/588001881.db2.gz SFEAVAPKYDIMAO-JTQLQIEISA-N -2 3 349.347 0.194 20 0 ECADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826220912 588011100 /nfs/dbraw/zinc/01/11/00/588011100.db2.gz GMHRXNJARWLIQU-UHFFFAOYSA-N -2 3 348.344 0.322 20 0 ECADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826220912 588011102 /nfs/dbraw/zinc/01/11/02/588011102.db2.gz GMHRXNJARWLIQU-UHFFFAOYSA-N -2 3 348.344 0.322 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000826279218 588019539 /nfs/dbraw/zinc/01/95/39/588019539.db2.gz JJNLLYWGPDYWAI-SNVBAGLBSA-N -2 3 337.361 0.270 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000826279218 588019540 /nfs/dbraw/zinc/01/95/40/588019540.db2.gz JJNLLYWGPDYWAI-SNVBAGLBSA-N -2 3 337.361 0.270 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826279066 588019652 /nfs/dbraw/zinc/01/96/52/588019652.db2.gz DUYVABIQTHKJLF-UHFFFAOYSA-N -2 3 325.350 0.270 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826279066 588019654 /nfs/dbraw/zinc/01/96/54/588019654.db2.gz DUYVABIQTHKJLF-UHFFFAOYSA-N -2 3 325.350 0.270 20 0 ECADHL Cc1cccc(S(=O)(=O)N[C@H](C)CC(=O)[O-])c1-c1nnn[n-]1 ZINC000826302441 588022002 /nfs/dbraw/zinc/02/20/02/588022002.db2.gz JSGOZYZFYBNZHQ-MRVPVSSYSA-N -2 3 325.350 0.317 20 0 ECADHL Cc1cccc(S(=O)(=O)N[C@H](C)CC(=O)[O-])c1-c1nn[n-]n1 ZINC000826302441 588022004 /nfs/dbraw/zinc/02/20/04/588022004.db2.gz JSGOZYZFYBNZHQ-MRVPVSSYSA-N -2 3 325.350 0.317 20 0 ECADHL Cc1nnc2n1C[C@@H](C(=O)Nc1cc(-c3nn[n-]n3)ccc1[O-])CC2 ZINC000826337728 588026817 /nfs/dbraw/zinc/02/68/17/588026817.db2.gz YZTNUEAEERPANN-JTQLQIEISA-N -2 3 340.347 0.673 20 0 ECADHL Cn1ncc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C(=O)[O-] ZINC000826366285 588035828 /nfs/dbraw/zinc/03/58/28/588035828.db2.gz AQIDCTBNTYTXDG-UHFFFAOYSA-N -3 3 349.332 0.099 20 0 ECADHL Cn1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C(=O)[O-] ZINC000826366285 588035830 /nfs/dbraw/zinc/03/58/30/588035830.db2.gz AQIDCTBNTYTXDG-UHFFFAOYSA-N -3 3 349.332 0.099 20 0 ECADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])[C@H]1CCn2ccnc2C1 ZINC000826451093 588053279 /nfs/dbraw/zinc/05/32/79/588053279.db2.gz PZWYVVVFPSPFPS-JTQLQIEISA-N -2 3 325.332 0.970 20 0 ECADHL O=S(=O)([N-]c1ccc2nncn2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492981 588062288 /nfs/dbraw/zinc/06/22/88/588062288.db2.gz NSOAJGPZTZVPNF-UHFFFAOYSA-N -2 3 343.332 0.105 20 0 ECADHL O=c1[n-]c(CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)n[nH]1 ZINC000826502077 588064724 /nfs/dbraw/zinc/06/47/24/588064724.db2.gz TYSHIRYDONJPHH-UHFFFAOYSA-N -2 3 342.363 0.734 20 0 ECADHL O=c1[n-]c(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n[nH]1 ZINC000826502077 588064727 /nfs/dbraw/zinc/06/47/27/588064727.db2.gz TYSHIRYDONJPHH-UHFFFAOYSA-N -2 3 342.363 0.734 20 0 ECADHL O=c1[n-]cnc2c1CN(c1nc3c(cc1-c1nnn[n-]1)CCC3)CC2 ZINC000826501262 588064988 /nfs/dbraw/zinc/06/49/88/588064988.db2.gz HOVPFRNUIAGLFA-UHFFFAOYSA-N -2 3 336.359 0.809 20 0 ECADHL CC(C)(NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000826621308 588074463 /nfs/dbraw/zinc/07/44/63/588074463.db2.gz JVYNUOHKFATMRI-UHFFFAOYSA-N -2 3 335.360 0.723 20 0 ECADHL CCCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H]1CCN(C(=O)[O-])C1 ZINC000826880327 588087947 /nfs/dbraw/zinc/08/79/47/588087947.db2.gz ZKHORMRKPMYLQN-ZETCQYMHSA-N -2 3 325.325 0.075 20 0 ECADHL CCN(CC1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1)C(=O)[O-] ZINC000827059145 588097829 /nfs/dbraw/zinc/09/78/29/588097829.db2.gz HFMLPRZNOKJQMF-NSHDSACASA-N -2 3 340.380 0.213 20 0 ECADHL CCN(CCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-] ZINC000827150197 588102181 /nfs/dbraw/zinc/10/21/81/588102181.db2.gz AXWIPOVZALUPLS-MRXNPFEDSA-N -2 3 348.359 0.471 20 0 ECADHL CCn1cnc(S(=O)(=O)[N-]C[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c1 ZINC000827706659 588136418 /nfs/dbraw/zinc/13/64/18/588136418.db2.gz MHSMHTPAGJMDNV-VHSXEESVSA-N -2 3 346.409 0.685 20 0 ECADHL CN(Cc1ccccc1NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)C(=O)[O-] ZINC000828399733 588176754 /nfs/dbraw/zinc/17/67/54/588176754.db2.gz FIMCLKAENWHMAQ-UHFFFAOYSA-N -2 3 333.304 0.832 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)ccc1F ZINC000828579001 588191050 /nfs/dbraw/zinc/19/10/50/588191050.db2.gz HSNQQBNEFXRFHI-SECBINFHSA-N -2 3 345.352 0.216 20 0 ECADHL COc1cc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)ccc1NC(=O)[O-] ZINC000829192928 588318183 /nfs/dbraw/zinc/31/81/83/588318183.db2.gz UFEAOADRRPOHCB-UHFFFAOYSA-N -2 3 335.276 0.821 20 0 ECADHL CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829823176 588343022 /nfs/dbraw/zinc/34/30/22/588343022.db2.gz RZGMNVVMJNWGIA-SECBINFHSA-N -2 3 331.346 0.988 20 0 ECADHL CCOC[C@H](C(=O)[O-])N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000829944945 588349331 /nfs/dbraw/zinc/34/93/31/588349331.db2.gz BOFTZVAJZDAMFK-GFCCVEGCSA-N -2 3 325.365 0.680 20 0 ECADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000829963104 588350693 /nfs/dbraw/zinc/35/06/93/588350693.db2.gz CFTOCOQXCQUKNQ-CYBMUJFWSA-N -2 3 331.394 0.378 20 0 ECADHL Cc1cc(CS(=O)(=O)[N-]C[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])on1 ZINC000830045300 588356530 /nfs/dbraw/zinc/35/65/30/588356530.db2.gz MICKSJMVBDEZCD-MWLCHTKSSA-N -2 3 347.393 0.906 20 0 ECADHL Cc1cc([N-]C(=O)[C@@H](C)OC(=O)COC2CN(C(=O)[O-])C2)on1 ZINC000830097681 588360582 /nfs/dbraw/zinc/36/05/82/588360582.db2.gz PYJDCYCQKSTOSP-MRVPVSSYSA-N -2 3 327.293 0.232 20 0 ECADHL CN(CC(=O)[O-])C(=O)CCN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000830692301 588382226 /nfs/dbraw/zinc/38/22/26/588382226.db2.gz KGGWYVQZUWKJCP-UHFFFAOYSA-N -2 3 349.387 0.083 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)ccc1F ZINC000831029602 588400456 /nfs/dbraw/zinc/40/04/56/588400456.db2.gz YPMLOTBKMYSWAF-AWEZNQCLSA-N -2 3 344.364 0.717 20 0 ECADHL O=C([O-])N(CC(=O)NCCNC(=O)c1ccc([O-])cc1)CC1CC1 ZINC000831459532 588427058 /nfs/dbraw/zinc/42/70/58/588427058.db2.gz AXUPYMYMIOHTDG-UHFFFAOYSA-N -2 3 335.360 0.628 20 0 ECADHL COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831590229 588435900 /nfs/dbraw/zinc/43/59/00/588435900.db2.gz FFYJRIQBDMCLIW-LBPRGKRZSA-N -2 3 335.334 0.224 20 0 ECADHL COC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)OC ZINC000831631972 588439108 /nfs/dbraw/zinc/43/91/08/588439108.db2.gz QMCAKMYDRDRGRR-LLVKDONJSA-N -2 3 337.375 0.303 20 0 ECADHL O=C([O-])N1CC(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000831846412 588454088 /nfs/dbraw/zinc/45/40/88/588454088.db2.gz CYOCRZKAFUUTLA-UHFFFAOYSA-N -2 3 348.359 0.222 20 0 ECADHL O=C([O-])N1CC([N-]S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000831852970 588454321 /nfs/dbraw/zinc/45/43/21/588454321.db2.gz YUTXETLIKXIZBS-UHFFFAOYSA-N -2 3 336.167 0.485 20 0 ECADHL O=C([O-])NC1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CCCC1 ZINC000832167717 588471364 /nfs/dbraw/zinc/47/13/64/588471364.db2.gz IZBPJZLQJMCLMW-UHFFFAOYSA-N -2 3 335.360 0.819 20 0 ECADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1C(=O)[O-] ZINC000833027202 588514893 /nfs/dbraw/zinc/51/48/93/588514893.db2.gz FHXUFPGTCYOVFW-BCMRRPTOSA-N -2 3 342.373 0.574 20 0 ECADHL O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833097670 588521555 /nfs/dbraw/zinc/52/15/55/588521555.db2.gz RYNKPTJRHGSMAJ-VWYCJHECSA-N -2 3 325.365 0.514 20 0 ECADHL O=C([O-])Nc1cc(C(=O)NN2CC(=O)[N-]C2=O)cc(C(F)(F)F)c1 ZINC000833281928 588533556 /nfs/dbraw/zinc/53/35/56/588533556.db2.gz RRLXVYHUJNXBGQ-UHFFFAOYSA-N -2 3 346.221 0.992 20 0 ECADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)CC2CC2)o1 ZINC000833323440 588534471 /nfs/dbraw/zinc/53/44/71/588534471.db2.gz RTRHULLTPQNQKA-UHFFFAOYSA-N -2 3 337.375 0.081 20 0 ECADHL O=C([O-])c1cccc(OCc2noc(CN3CC(=O)[N-]C3=O)n2)c1 ZINC000833358470 588535996 /nfs/dbraw/zinc/53/59/96/588535996.db2.gz KLBVTQKOGSYXSK-UHFFFAOYSA-N -2 3 332.272 0.399 20 0 ECADHL O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000833359569 588536026 /nfs/dbraw/zinc/53/60/26/588536026.db2.gz XQCUUJGUNHTSAO-ZDUSSCGKSA-N -2 3 329.255 0.831 20 0 ECADHL CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@H](C)C1 ZINC000833393452 588538316 /nfs/dbraw/zinc/53/83/16/588538316.db2.gz JMZVSTDQEYLUEG-KCJUWKMLSA-N -2 3 330.362 0.513 20 0 ECADHL CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H](C)C1 ZINC000833393052 588538473 /nfs/dbraw/zinc/53/84/73/588538473.db2.gz GNPOUOZYCPFCJA-PSASIEDQSA-N -2 3 330.362 0.513 20 0 ECADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833426591 588540983 /nfs/dbraw/zinc/54/09/83/588540983.db2.gz OTCATNXNDSEMDK-SNVBAGLBSA-N -2 3 329.378 0.682 20 0 ECADHL CC(C)N1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833623297 588553513 /nfs/dbraw/zinc/55/35/13/588553513.db2.gz JUOOCISFJFRAAB-RKDXNWHRSA-N -2 3 333.435 0.848 20 0 ECADHL O=C([O-])N1CC(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000833993005 588585054 /nfs/dbraw/zinc/58/50/54/588585054.db2.gz PPPDQZOQOFJGIR-UHFFFAOYSA-N -2 3 347.418 0.143 20 0 ECADHL O=C(CN(C(=O)[O-])C1CC1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000834000910 588585933 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587691119 /nfs/dbraw/zinc/69/11/19/587691119.db2.gz MOZQIAYKXSNQCX-SREVYHEPSA-N -2 3 333.373 0.779 20 0 ECADHL O=C(CS(=O)(=O)c1ncc[n-]1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823054834 587699946 /nfs/dbraw/zinc/69/99/46/587699946.db2.gz FDNHHYJIKVIIOZ-UHFFFAOYSA-N -2 3 333.333 0.002 20 0 ECADHL O=C(CS(=O)(=O)c1ncc[n-]1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823054834 587699947 /nfs/dbraw/zinc/69/99/47/587699947.db2.gz FDNHHYJIKVIIOZ-UHFFFAOYSA-N -2 3 333.333 0.002 20 0 ECADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000823078757 587700942 /nfs/dbraw/zinc/70/09/42/587700942.db2.gz RVPRFUBUTFZECV-UHFFFAOYSA-N -2 3 335.389 0.798 20 0 ECADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000823078757 587700943 /nfs/dbraw/zinc/70/09/43/587700943.db2.gz RVPRFUBUTFZECV-UHFFFAOYSA-N -2 3 335.389 0.798 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000823284105 587714035 /nfs/dbraw/zinc/71/40/35/587714035.db2.gz CUUQZTUOFHFBGR-CHWSQXEVSA-N -2 3 347.400 0.859 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000823284105 587714037 /nfs/dbraw/zinc/71/40/37/587714037.db2.gz CUUQZTUOFHFBGR-CHWSQXEVSA-N -2 3 347.400 0.859 20 0 ECADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])[C@@H]1CC(=O)N(C2CC2)C1 ZINC000823289916 587714566 /nfs/dbraw/zinc/71/45/66/587714566.db2.gz QNHOPLLCQRQMDO-SECBINFHSA-N -2 3 328.332 0.522 20 0 ECADHL c1ccc(-n2[n-]nnc2=NCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000823772789 587742653 /nfs/dbraw/zinc/74/26/53/587742653.db2.gz OBMHIKJLJXEYNR-UHFFFAOYSA-N -2 3 349.362 0.183 20 0 ECADHL c1ccc(-n2[n-]nnc2=NCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000823772789 587742654 /nfs/dbraw/zinc/74/26/54/587742654.db2.gz OBMHIKJLJXEYNR-UHFFFAOYSA-N -2 3 349.362 0.183 20 0 ECADHL CC(C)(NC(=O)[O-])c1noc(Cn2cc(Cl)c(=O)[n-]c2=O)n1 ZINC000824034280 587849730 /nfs/dbraw/zinc/84/97/30/587849730.db2.gz ADPJNFNKVNBBAD-UHFFFAOYSA-N -2 3 329.700 0.536 20 0 ECADHL C[C@H](CCO)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824407199 587872609 /nfs/dbraw/zinc/87/26/09/587872609.db2.gz VQUNOOCSRWTDSD-SSDOTTSWSA-N -2 3 347.347 0.442 20 0 ECADHL C[C@H](CCO)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824407199 587872610 /nfs/dbraw/zinc/87/26/10/587872610.db2.gz VQUNOOCSRWTDSD-SSDOTTSWSA-N -2 3 347.347 0.442 20 0 ECADHL C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000824543065 587879584 /nfs/dbraw/zinc/87/95/84/587879584.db2.gz DZEOSABARCCEGJ-YPMHNXCESA-N -2 3 335.408 0.899 20 0 ECADHL C[C@H](CC(=O)OCC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)NC(=O)[O-] ZINC000824721860 587890052 /nfs/dbraw/zinc/89/00/52/587890052.db2.gz UEROOHADLVGIJY-NXEZZACHSA-N -2 3 338.364 0.804 20 0 ECADHL CC(C)N(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000824730447 587890831 /nfs/dbraw/zinc/89/08/31/587890831.db2.gz NVLYDXBNARIMJN-JTQLQIEISA-N -2 3 333.348 0.956 20 0 ECADHL CC(C)N(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824730447 587890832 /nfs/dbraw/zinc/89/08/32/587890832.db2.gz NVLYDXBNARIMJN-JTQLQIEISA-N -2 3 333.348 0.956 20 0 ECADHL C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000825193669 587922013 /nfs/dbraw/zinc/92/20/13/587922013.db2.gz KGUCYWDSHXWQGX-RNFRBKRXSA-N -2 3 325.325 0.121 20 0 ECADHL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825763142 587959611 /nfs/dbraw/zinc/95/96/11/587959611.db2.gz PONIGSIZOPMMSJ-UHFFFAOYSA-N -2 3 333.377 0.963 20 0 ECADHL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825763142 587959613 /nfs/dbraw/zinc/95/96/13/587959613.db2.gz PONIGSIZOPMMSJ-UHFFFAOYSA-N -2 3 333.377 0.963 20 0 ECADHL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825782989 587960903 /nfs/dbraw/zinc/96/09/03/587960903.db2.gz YFQFHWRNZQHQCS-UHFFFAOYSA-N -2 3 335.349 0.921 20 0 ECADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC000826180999 588005982 /nfs/dbraw/zinc/00/59/82/588005982.db2.gz HNRDBYWZMNNWOB-UHFFFAOYSA-N -2 3 333.333 0.466 20 0 ECADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000826180999 588005984 /nfs/dbraw/zinc/00/59/84/588005984.db2.gz HNRDBYWZMNNWOB-UHFFFAOYSA-N -2 3 333.333 0.466 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000826249686 588015981 /nfs/dbraw/zinc/01/59/81/588015981.db2.gz OPGHVKDKXBCOSD-UHFFFAOYSA-N -2 3 336.377 0.246 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000826249686 588015983 /nfs/dbraw/zinc/01/59/83/588015983.db2.gz OPGHVKDKXBCOSD-UHFFFAOYSA-N -2 3 336.377 0.246 20 0 ECADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])[C@]12CCC(=O)N1CCS2 ZINC000826479821 588057619 /nfs/dbraw/zinc/05/76/19/588057619.db2.gz IZZSDKFCWPENNT-CQSZACIVSA-N -2 3 346.372 0.576 20 0 ECADHL CC(C)(NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000826621269 588074411 /nfs/dbraw/zinc/07/44/11/588074411.db2.gz DRNHGYICVVZBMG-UHFFFAOYSA-N -2 3 335.360 0.723 20 0 ECADHL C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000827517589 588124783 /nfs/dbraw/zinc/12/47/83/588124783.db2.gz RLELWAKPWVAAQY-KOLCDFICSA-N -2 3 347.364 0.996 20 0 ECADHL C[C@H](CS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC000827550995 588127443 /nfs/dbraw/zinc/12/74/43/588127443.db2.gz DGJBEOCTOPDCSX-YPMHNXCESA-N -2 3 340.401 0.822 20 0 ECADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)[C@H]1CN(C)CCO1 ZINC000827747271 588138939 /nfs/dbraw/zinc/13/89/39/588138939.db2.gz KIIBTSBPMLKBFW-JOYOIKCWSA-N -2 3 346.380 0.521 20 0 ECADHL COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000828957070 588210488 /nfs/dbraw/zinc/21/04/88/588210488.db2.gz FJNMLWSDXPOVAM-UHFFFAOYSA-N -2 3 346.365 0.066 20 0 ECADHL COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000828957050 588210659 /nfs/dbraw/zinc/21/06/59/588210659.db2.gz DXGUOLGQIRRKLS-UHFFFAOYSA-N -2 3 345.377 0.671 20 0 ECADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000829884265 588345934 /nfs/dbraw/zinc/34/59/34/588345934.db2.gz WGBHDHSXQSRJJK-CYBMUJFWSA-N -2 3 337.401 0.950 20 0 ECADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cn3c(n2)CCCC3)CCSC1 ZINC000829938444 588348949 /nfs/dbraw/zinc/34/89/49/588348949.db2.gz XALFVGUBSRBGMD-LBPRGKRZSA-N -2 3 331.419 0.458 20 0 ECADHL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000829966373 588350997 /nfs/dbraw/zinc/35/09/97/588350997.db2.gz GHZAZVYTGRFPNT-GFCCVEGCSA-N -2 3 344.389 0.620 20 0 ECADHL CCc1nncn1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830339089 588368978 /nfs/dbraw/zinc/36/89/78/588368978.db2.gz MLCWPDDWFSETHG-UHFFFAOYSA-N -2 3 328.350 0.419 20 0 ECADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c1F ZINC000831226841 588414528 /nfs/dbraw/zinc/41/45/28/588414528.db2.gz UZBSEZUDQOWCPO-LLVKDONJSA-N -2 3 349.311 0.893 20 0 ECADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000831261059 588417262 /nfs/dbraw/zinc/41/72/62/588417262.db2.gz UPLPJDLPMZCTCU-UHFFFAOYSA-N -2 3 349.303 0.369 20 0 ECADHL COC(=O)c1cc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)ccc1C(=O)[O-] ZINC000831305719 588420629 /nfs/dbraw/zinc/42/06/29/588420629.db2.gz DMRPZOAWSOURFM-UHFFFAOYSA-N -2 3 348.271 0.207 20 0 ECADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000832231120 588475747 /nfs/dbraw/zinc/47/57/47/588475747.db2.gz NUJJDUYJPKCRIK-NEPJUHHUSA-N -2 3 349.343 0.315 20 0 ECADHL Cc1sc(C(=O)[O-])cc1COC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000833030653 588515320 /nfs/dbraw/zinc/51/53/20/588515320.db2.gz BUTWXEZLFWOHDH-MRVPVSSYSA-N -2 3 326.330 0.786 20 0 ECADHL Cn1cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c(=O)[n-]c1=O ZINC000833042162 588516103 /nfs/dbraw/zinc/51/61/03/588516103.db2.gz XITPEDSGDSWYQI-WCQYABFASA-N -2 3 349.387 0.982 20 0 ECADHL O=C([O-])Cn1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)cn1 ZINC000833274232 588532633 /nfs/dbraw/zinc/53/26/33/588532633.db2.gz QUVILDGBIKIJOB-ZCFIWIBFSA-N -2 3 328.177 0.440 20 0 ECADHL COC(=O)c1cccc2nc(NC(=O)Cn3cc(C(=O)[O-])nn3)[n-]c21 ZINC000833716541 588562394 /nfs/dbraw/zinc/56/23/94/588562394.db2.gz LCFFEWJQZYYCIA-UHFFFAOYSA-N -2 3 344.287 0.278 20 0 ECADHL COC(=O)c1cccc2[n-]c(NC(=O)Cn3cc(C(=O)[O-])nn3)nc21 ZINC000833716541 588562395 /nfs/dbraw/zinc/56/23/95/588562395.db2.gz LCFFEWJQZYYCIA-UHFFFAOYSA-N -2 3 344.287 0.278 20 0 ECADHL C[C@@H](NC(=O)[O-])[C@H]1CN(CCC[N-]C(=O)C(F)(F)F)CCO1 ZINC000833820272 588569990 /nfs/dbraw/zinc/56/99/90/588569990.db2.gz RPXGSHJEMIPGET-RKDXNWHRSA-N -2 3 327.303 0.412 20 0 ECADHL Cn1ncc2c1nc(CN(C1CC1)[C@@H]1CCN(C(=O)[O-])C1)[n-]c2=O ZINC000833962432 588582170 /nfs/dbraw/zinc/58/21/70/588582170.db2.gz UGLUHARSNVCDTB-SNVBAGLBSA-N -2 3 332.364 0.786 20 0 ECADHL O=C([O-])N1CC(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000834068420 588592447 /nfs/dbraw/zinc/59/24/47/588592447.db2.gz CUXDMHJSTKQCOD-UHFFFAOYSA-N -2 3 339.295 0.989 20 0 ECADHL Cc1ccc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])c(Cl)n1 ZINC000844782881 589120866 /nfs/dbraw/zinc/12/08/66/589120866.db2.gz KZRNRJCTXYWHKM-SECBINFHSA-N -2 3 344.780 0.741 20 0 ECADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)s1 ZINC000844791199 589121381 /nfs/dbraw/zinc/12/13/81/589121381.db2.gz ZXKYXHXRRNRNAL-MRVPVSSYSA-N -2 3 333.391 0.633 20 0 ECADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1F ZINC000844900721 589125220 /nfs/dbraw/zinc/12/52/20/589125220.db2.gz UHMFQXMVOIMLOO-CQSZACIVSA-N -2 3 347.364 0.652 20 0 ECADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000848676452 589306060 /nfs/dbraw/zinc/30/60/60/589306060.db2.gz UHUUJONZWBEURN-HQJQHLMTSA-N -2 3 349.336 0.033 20 0 ECADHL COc1cccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCOCC2)c1F ZINC000848675498 589306071 /nfs/dbraw/zinc/30/60/71/589306071.db2.gz COAWBXAOZJWWSM-ZDUSSCGKSA-N -2 3 347.364 0.992 20 0 ECADHL COC(=O)CCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733709 589507827 /nfs/dbraw/zinc/50/78/27/589507827.db2.gz WWYYGBKWLUHMKL-SCZZXKLOSA-N -2 3 340.298 0.536 20 0 ECADHL Cc1cnn(CCN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852736465 589508472 /nfs/dbraw/zinc/50/84/72/589508472.db2.gz MVDSROCHMWFHDU-MNOVXSKESA-N -2 3 348.325 0.788 20 0 ECADHL CCOC(=O)CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733767 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COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821682055 587620217 /nfs/dbraw/zinc/62/02/17/587620217.db2.gz YRHYEYVCTDIKLM-VIFPVBQESA-N -2 3 339.377 0.344 20 0 ECADHL COCCN1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])CC1=O ZINC000821690437 587622395 /nfs/dbraw/zinc/62/23/95/587622395.db2.gz LOZYUCMRJKZAJI-SNVBAGLBSA-N -2 3 346.347 0.006 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000822220256 587648964 /nfs/dbraw/zinc/64/89/64/587648964.db2.gz JRNGSGVLYKFJBF-UHFFFAOYSA-N -2 3 327.304 0.227 20 0 ECADHL Cc1occc1C(=O)NCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822553878 587666188 /nfs/dbraw/zinc/66/61/88/587666188.db2.gz SIFRMUXXURVMFG-UHFFFAOYSA-N -2 3 342.315 0.842 20 0 ECADHL O=C(C=C1CCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822917392 587690967 /nfs/dbraw/zinc/69/09/67/587690967.db2.gz TXYPXLMULSAQDV-UHFFFAOYSA-N -2 3 333.373 0.923 20 0 ECADHL O=C(C=C1CCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822917392 587690969 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C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)O ZINC000824634769 587883111 /nfs/dbraw/zinc/88/31/11/587883111.db2.gz XYKAUDQTJCDQDV-ZCFIWIBFSA-N -2 3 347.347 0.583 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)O ZINC000824634769 587883112 /nfs/dbraw/zinc/88/31/12/587883112.db2.gz XYKAUDQTJCDQDV-ZCFIWIBFSA-N -2 3 347.347 0.583 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCCCNC(=O)[O-] ZINC000825501366 587946866 /nfs/dbraw/zinc/94/68/66/587946866.db2.gz COQUOAYGKQREKZ-SECBINFHSA-N -2 3 348.352 0.693 20 0 ECADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000825643278 587954323 /nfs/dbraw/zinc/95/43/23/587954323.db2.gz KKPGDKWTITUGQO-UHFFFAOYSA-N -2 3 347.360 0.856 20 0 ECADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000825643278 587954325 /nfs/dbraw/zinc/95/43/25/587954325.db2.gz KKPGDKWTITUGQO-UHFFFAOYSA-N -2 3 347.360 0.856 20 0 ECADHL C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000825810968 587962790 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ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(C)COC1 ZINC000826279387 588019767 /nfs/dbraw/zinc/01/97/67/588019767.db2.gz OQIGTSKJVCAWHX-UHFFFAOYSA-N -2 3 337.361 0.017 20 0 ECADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826282535 588020764 /nfs/dbraw/zinc/02/07/64/588020764.db2.gz SXCRUIJEBINTCY-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826282535 588020766 /nfs/dbraw/zinc/02/07/66/588020766.db2.gz SXCRUIJEBINTCY-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL Cc1ccccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826308210 588022511 /nfs/dbraw/zinc/02/25/11/588022511.db2.gz OMEGPNUGELBLQO-UHFFFAOYSA-N -2 3 332.345 0.622 20 0 ECADHL Cc1ccccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826308210 588022513 /nfs/dbraw/zinc/02/25/13/588022513.db2.gz OMEGPNUGELBLQO-UHFFFAOYSA-N -2 3 332.345 0.622 20 0 ECADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccn2c(=O)[nH]nc12 ZINC000826451144 588053627 /nfs/dbraw/zinc/05/36/27/588053627.db2.gz RQNDGDUPICIBMZ-UHFFFAOYSA-N -2 3 338.287 0.573 20 0 ECADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc2c(c1)CCCO2 ZINC000826492695 588062321 /nfs/dbraw/zinc/06/23/21/588062321.db2.gz YHXJHVGJVZYKTD-UHFFFAOYSA-N -2 3 347.360 0.716 20 0 ECADHL CC(C)(CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000826559069 588070488 /nfs/dbraw/zinc/07/04/88/588070488.db2.gz KJVDMAWPFRDWBQ-UHFFFAOYSA-N -2 3 346.380 0.721 20 0 ECADHL C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000827517588 588124815 /nfs/dbraw/zinc/12/48/15/588124815.db2.gz RLELWAKPWVAAQY-GXSJLCMTSA-N -2 3 347.364 0.996 20 0 ECADHL C[C@@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)C)C(=O)[O-] ZINC000827552499 588127425 /nfs/dbraw/zinc/12/74/25/588127425.db2.gz JICZVWCWKKVUQR-AAEUAGOBSA-N -2 3 342.417 0.326 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)[C@H]1CN(C)CCO1 ZINC000827747268 588139027 /nfs/dbraw/zinc/13/90/27/588139027.db2.gz KIIBTSBPMLKBFW-BXKDBHETSA-N -2 3 346.380 0.521 20 0 ECADHL CN(CCCNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-] ZINC000828301803 588170794 /nfs/dbraw/zinc/17/07/94/588170794.db2.gz FPEDTOMZSHKNTE-INIZCTEOSA-N -2 3 348.359 0.471 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)NC(=O)[O-])ccc1F ZINC000828578479 588190774 /nfs/dbraw/zinc/19/07/74/588190774.db2.gz AWCDTUAUJHBDMH-MRVPVSSYSA-N -2 3 347.368 0.510 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)[O-])C2)oc1C ZINC000828761476 588203502 /nfs/dbraw/zinc/20/35/02/588203502.db2.gz VUPDBMIOCIDMRX-VIFPVBQESA-N -2 3 346.361 0.795 20 0 ECADHL COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000828804782 588205064 /nfs/dbraw/zinc/20/50/64/588205064.db2.gz QMCHASJLYNEVKB-UHFFFAOYSA-N -2 3 341.345 0.295 20 0 ECADHL COc1ccc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1NC(=O)[O-] ZINC000829474941 588326357 /nfs/dbraw/zinc/32/63/57/588326357.db2.gz WAMVMYMVCALRGH-UHFFFAOYSA-N -2 3 335.276 0.821 20 0 ECADHL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000829966683 588350957 /nfs/dbraw/zinc/35/09/57/588350957.db2.gz MJBVVJVWNQAELP-SNVBAGLBSA-N -2 3 348.377 0.058 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)ccc1F ZINC000831029577 588400247 /nfs/dbraw/zinc/40/02/47/588400247.db2.gz XBGHSMNDCICHPD-LLVKDONJSA-N -2 3 330.337 0.327 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])ccc1F ZINC000831029107 588400297 /nfs/dbraw/zinc/40/02/97/588400297.db2.gz GRCMESSBTNGAKS-JTQLQIEISA-N -2 3 344.364 0.813 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)ccc1F ZINC000831029120 588400427 /nfs/dbraw/zinc/40/04/27/588400427.db2.gz HTMHZERMDBHUMO-WPRPVWTQSA-N -2 3 344.364 0.527 20 0 ECADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000831071629 588402905 /nfs/dbraw/zinc/40/29/05/588402905.db2.gz DQFZZZOVSRMUKD-SECBINFHSA-N -2 3 337.300 0.568 20 0 ECADHL COC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CCOC1 ZINC000831093550 588404540 /nfs/dbraw/zinc/40/45/40/588404540.db2.gz IUBLPWPYBWPNTE-LLVKDONJSA-N -2 3 335.359 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ZINC000832936391 588510845 /nfs/dbraw/zinc/51/08/45/588510845.db2.gz GAVXSLOSCAGZOY-DGCLKSJQSA-N -2 3 340.401 0.740 20 0 ECADHL O=C([O-])[C@H](NC(=O)CC[C@H]1NC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000833097279 588521548 /nfs/dbraw/zinc/52/15/48/588521548.db2.gz IVGSDWRCRHJHCP-MWLCHTKSSA-N -2 3 339.735 0.570 20 0 ECADHL O=C([O-])CC1(CS(=O)(=O)[N-]CC(=O)Nc2ccccc2)CC1 ZINC000833202993 588527318 /nfs/dbraw/zinc/52/73/18/588527318.db2.gz WFALNNHKPMDDLI-UHFFFAOYSA-N -2 3 326.374 0.799 20 0 ECADHL O=C([O-])C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000833266035 588531803 /nfs/dbraw/zinc/53/18/03/588531803.db2.gz RGQJNUMOPNRNDK-JTQLQIEISA-N -2 3 339.735 0.524 20 0 ECADHL CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)[C@@H](C)C1 ZINC000833392420 588538190 /nfs/dbraw/zinc/53/81/90/588538190.db2.gz DSLLWUGVBVOHBA-UFBFGSQYSA-N -2 3 344.389 0.821 20 0 ECADHL COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833724429 588563100 /nfs/dbraw/zinc/56/31/00/588563100.db2.gz 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COc1nc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n[n-]1 ZINC000770451347 579167153 /nfs/dbraw/zinc/16/71/53/579167153.db2.gz BWEQUYJFOPHIPT-UHFFFAOYSA-N -2 3 332.345 0.601 20 0 ECADHL COc1n[n-]c(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000770451347 579167154 /nfs/dbraw/zinc/16/71/54/579167154.db2.gz BWEQUYJFOPHIPT-UHFFFAOYSA-N -2 3 332.345 0.601 20 0 ECADHL COc1nc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc(=O)[n-]1 ZINC000770515954 579169419 /nfs/dbraw/zinc/16/94/19/579169419.db2.gz REOXFBRPRFRRTM-UHFFFAOYSA-N -2 3 337.313 0.366 20 0 ECADHL O=C(C[N-]S(=O)(=O)C=Cc1ccccc1)OCc1n[nH]c(=O)[n-]1 ZINC000774900407 579258824 /nfs/dbraw/zinc/25/88/24/579258824.db2.gz DKOCIOYDLIGKJQ-SREVYHEPSA-N -2 3 338.345 0.144 20 0 ECADHL O=C(c1n[n-]c2ccccc2c1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776564570 579284046 /nfs/dbraw/zinc/28/40/46/579284046.db2.gz NPJGITBQMMLMJQ-JTQLQIEISA-N -2 3 343.372 0.779 20 0 ECADHL O=C(c1n[n-]c2ccccc2c1=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776564570 579284048 /nfs/dbraw/zinc/28/40/48/579284048.db2.gz NPJGITBQMMLMJQ-JTQLQIEISA-N -2 3 343.372 0.779 20 0 ECADHL O=C(c1nnc2ccccc2c1[O-])N1CCSC[C@H]1c1nnn[n-]1 ZINC000776564570 579284049 /nfs/dbraw/zinc/28/40/49/579284049.db2.gz NPJGITBQMMLMJQ-JTQLQIEISA-N -2 3 343.372 0.779 20 0 ECADHL O=C(c1nnc2ccccc2c1[O-])N1CCSC[C@H]1c1nn[n-]n1 ZINC000776564570 579284051 /nfs/dbraw/zinc/28/40/51/579284051.db2.gz NPJGITBQMMLMJQ-JTQLQIEISA-N -2 3 343.372 0.779 20 0 ECADHL O=C([O-])[C@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)[C@H](O)c1ccccc1 ZINC000776600826 579286002 /nfs/dbraw/zinc/28/60/02/579286002.db2.gz UWFPCYKUNHSVFK-MGPQQGTHSA-N -2 3 343.401 0.662 20 0 ECADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)c2ccccc2)cn1C ZINC000776601891 579286122 /nfs/dbraw/zinc/28/61/22/579286122.db2.gz XTHPAPNVBQARSE-STQMWFEESA-N -2 3 339.373 0.194 20 0 ECADHL Cc1cccc(C[C@@H](CNC(=O)c2cn(C)c(=O)[n-]c2=O)C(=O)[O-])c1 ZINC000738711578 579646037 /nfs/dbraw/zinc/64/60/37/579646037.db2.gz LPOWUHJXWPLMLT-LBPRGKRZSA-N -2 3 345.355 0.468 20 0 ECADHL NC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000739182771 579673311 /nfs/dbraw/zinc/67/33/11/579673311.db2.gz QVKRHZGAXJAAAV-UHFFFAOYSA-N -2 3 338.341 0.598 20 0 ECADHL CCC[C@H](NC(=O)[O-])C(=O)Oc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000739329340 579681840 /nfs/dbraw/zinc/68/18/40/579681840.db2.gz MUETZGSOTNYTJR-RYUDHWBXSA-N -2 3 349.343 0.779 20 0 ECADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C2CC2)s1 ZINC000739793919 579713770 /nfs/dbraw/zinc/71/37/70/579713770.db2.gz YBVBFPJEDJAEGC-QMMMGPOBSA-N -2 3 348.402 0.859 20 0 ECADHL COCCN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000739818859 579716321 /nfs/dbraw/zinc/71/63/21/579716321.db2.gz ROPUVQSTAFXOHD-UHFFFAOYSA-N -2 3 334.336 0.109 20 0 ECADHL COCCN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000739818859 579716323 /nfs/dbraw/zinc/71/63/23/579716323.db2.gz ROPUVQSTAFXOHD-UHFFFAOYSA-N -2 3 334.336 0.109 20 0 ECADHL O=C([O-])Cc1nc([N-]C(=O)c2cn(Cc3ccccc3)nn2)n[nH]1 ZINC000739899339 579721084 /nfs/dbraw/zinc/72/10/84/579721084.db2.gz KTPYBIDDRWEJLI-UHFFFAOYSA-N -2 3 327.304 0.324 20 0 ECADHL CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)ccc1F ZINC000740003144 579726825 /nfs/dbraw/zinc/72/68/25/579726825.db2.gz ULEJKWGQQCBIKP-SECBINFHSA-N -2 3 345.352 0.679 20 0 ECADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c1 ZINC000740270863 579735172 /nfs/dbraw/zinc/73/51/72/579735172.db2.gz IAGWSLAPJPKZRC-QMMMGPOBSA-N -2 3 328.375 0.331 20 0 ECADHL O=C([O-])[C@H](OC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1cccc(Cl)c1 ZINC000740317567 579737767 /nfs/dbraw/zinc/73/77/67/579737767.db2.gz UWYDWJQKTDALDC-GXSJLCMTSA-N -2 3 340.719 0.997 20 0 ECADHL O=C([O-])N1CCC[C@@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000740416225 579746280 /nfs/dbraw/zinc/74/62/80/579746280.db2.gz QKQHXKBCHDYKJF-VIFPVBQESA-N -2 3 331.328 0.690 20 0 ECADHL O=C([O-])N[C@@H]1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000740586016 579753932 /nfs/dbraw/zinc/75/39/32/579753932.db2.gz MEWSELAWPUCQFM-SNVBAGLBSA-N -2 3 346.343 0.361 20 0 ECADHL O=C([O-])NCC1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000740639471 579756797 /nfs/dbraw/zinc/75/67/97/579756797.db2.gz BTPVBAHWAKICHK-UHFFFAOYSA-N -2 3 335.360 0.628 20 0 ECADHL COc1cc[nH]c(=N[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000743253574 579796128 /nfs/dbraw/zinc/79/61/28/579796128.db2.gz PJFGCEBUBSTZRN-UHFFFAOYSA-N -2 3 342.308 0.628 20 0 ECADHL O=C([O-])NCCCCC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000834235845 588891089 /nfs/dbraw/zinc/89/10/89/588891089.db2.gz WLKYVZNXIDTDKO-GFCCVEGCSA-N -2 3 348.359 0.814 20 0 ECADHL O=C([O-])N(CC(=O)Oc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)C1CC1 ZINC000834288573 588893668 /nfs/dbraw/zinc/89/36/68/588893668.db2.gz HEZAAJOIGWWUEY-LBPRGKRZSA-N -2 3 347.327 0.485 20 0 ECADHL O=C([O-])N1CC[C@H](C(=O)Oc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000834289422 588893808 /nfs/dbraw/zinc/89/38/08/588893808.db2.gz MDFTUTSQHMVHCJ-CMPLNLGQSA-N -2 3 347.327 0.342 20 0 ECADHL O=C([O-])N1CCC[C@H]1C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000834290082 588894019 /nfs/dbraw/zinc/89/40/19/588894019.db2.gz PMPCNJBJISCHGZ-NEPJUHHUSA-N -2 3 346.343 0.518 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c(F)cc1C ZINC000841783153 589000794 /nfs/dbraw/zinc/00/07/94/589000794.db2.gz ODPNVZIHBQGVRO-CYBMUJFWSA-N -2 3 349.336 0.035 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)c1noc2c1CCCC2 ZINC000838918255 586829181 /nfs/dbraw/zinc/82/91/81/586829181.db2.gz VIPWMWPUOHUULI-UHFFFAOYSA-N -2 3 347.356 0.943 20 0 ECADHL Cc1cc(=O)c(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)n[n-]1 ZINC000802167088 587012059 /nfs/dbraw/zinc/01/20/59/587012059.db2.gz UPONRDJQDWNKFM-LLVKDONJSA-N -2 3 331.394 0.498 20 0 ECADHL Cn1[n-]c(COC(=O)Cc2ccc(Br)cc2[O-])nc1=O ZINC000814481561 587275149 /nfs/dbraw/zinc/27/51/49/587275149.db2.gz WCFMYXZGCOVPGV-UHFFFAOYSA-N -2 3 342.149 0.862 20 0 ECADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000816731561 587321596 /nfs/dbraw/zinc/32/15/96/587321596.db2.gz WJIMROZFJIQRBU-UHFFFAOYSA-N -2 3 337.723 0.853 20 0 ECADHL O=C([O-])C[C@]1([N-]S(=O)(=O)c2cccc3nonc32)CCCOC1 ZINC000819106798 587468661 /nfs/dbraw/zinc/46/86/61/587468661.db2.gz BDPPYEBGXKVYTB-CYBMUJFWSA-N -2 3 341.345 0.525 20 0 ECADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000820534015 587540032 /nfs/dbraw/zinc/54/00/32/587540032.db2.gz IWTCGABQMXSJGW-MGPLVRAMSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000820534015 587540034 /nfs/dbraw/zinc/54/00/34/587540034.db2.gz IWTCGABQMXSJGW-MGPLVRAMSA-N -2 3 345.359 0.957 20 0 ECADHL O=S(=O)([N-]Cc1ccon1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823578302 587731706 /nfs/dbraw/zinc/73/17/06/587731706.db2.gz LNQCFVCPLACYNE-UHFFFAOYSA-N -2 3 342.287 0.611 20 0 ECADHL O=S(=O)([N-]Cc1ccon1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578302 587731707 /nfs/dbraw/zinc/73/17/07/587731707.db2.gz LNQCFVCPLACYNE-UHFFFAOYSA-N -2 3 342.287 0.611 20 0 ECADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)c(F)c1 ZINC000823611106 587734007 /nfs/dbraw/zinc/73/40/07/587734007.db2.gz MCCOCGPNXOGNBW-UHFFFAOYSA-N -2 3 331.325 0.425 20 0 ECADHL CC(C)(CNC(=O)[O-])C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000823969037 587846139 /nfs/dbraw/zinc/84/61/39/587846139.db2.gz DQMSNQTZUFWVFO-INIZCTEOSA-N -2 3 348.359 0.974 20 0 ECADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824052318 587851447 /nfs/dbraw/zinc/85/14/47/587851447.db2.gz MXATUAUMHSIHCS-ZCFIWIBFSA-N -2 3 345.768 0.614 20 0 ECADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824052318 587851449 /nfs/dbraw/zinc/85/14/49/587851449.db2.gz MXATUAUMHSIHCS-ZCFIWIBFSA-N -2 3 345.768 0.614 20 0 ECADHL C[C@H](CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)NC(=O)[O-] ZINC000824592168 587881632 /nfs/dbraw/zinc/88/16/32/587881632.db2.gz SVULLASJSQXKQA-LLVKDONJSA-N -2 3 335.360 0.723 20 0 ECADHL C[C@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)C[C@H](C)NC(=O)[O-] ZINC000824721864 587890235 /nfs/dbraw/zinc/89/02/35/587890235.db2.gz UEROOHADLVGIJY-VHSXEESVSA-N -2 3 338.364 0.804 20 0 ECADHL C[C@H](CN(C)C(=O)[O-])C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000824854431 587898709 /nfs/dbraw/zinc/89/87/09/587898709.db2.gz KADPUFQLBPQINP-LLVKDONJSA-N -2 3 337.376 0.874 20 0 ECADHL CCN(Cc1nc(=O)n(C)[n-]1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825445043 587941040 /nfs/dbraw/zinc/94/10/40/587941040.db2.gz VHULTWNGIYPZQB-JTQLQIEISA-N -2 3 328.380 0.872 20 0 ECADHL CCN(Cc1nc(=O)n(C)[n-]1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825445043 587941041 /nfs/dbraw/zinc/94/10/41/587941041.db2.gz VHULTWNGIYPZQB-JTQLQIEISA-N -2 3 328.380 0.872 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)OCCN(C)C(=O)[O-] ZINC000825502871 587946490 /nfs/dbraw/zinc/94/64/90/587946490.db2.gz LYFPWAOWALUZTP-MRVPVSSYSA-N -2 3 336.391 0.568 20 0 ECADHL C[C@@]1(c2cccc(NC(=O)C3(NC(=O)[O-])CC3)c2)NC(=O)[N-]C1=O ZINC000825772858 587960535 /nfs/dbraw/zinc/96/05/35/587960535.db2.gz RZBPLASGFIUIFP-AWEZNQCLSA-N -2 3 332.316 0.480 20 0 ECADHL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])s1 ZINC000825855107 587966554 /nfs/dbraw/zinc/96/65/54/587966554.db2.gz UNEPBMMBMLWFMP-JGVFFNPUSA-N -2 3 334.419 0.944 20 0 ECADHL CN(CCC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825914343 587972774 /nfs/dbraw/zinc/97/27/74/587972774.db2.gz AOMKGFSYJYFYRH-UHFFFAOYSA-N -2 3 345.768 0.615 20 0 ECADHL CN(CCC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825914343 587972775 /nfs/dbraw/zinc/97/27/75/587972775.db2.gz AOMKGFSYJYFYRH-UHFFFAOYSA-N -2 3 345.768 0.615 20 0 ECADHL COC[C@@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000826148415 587999308 /nfs/dbraw/zinc/99/93/08/587999308.db2.gz IDRLFQKVJSYSTO-BJOHPYRUSA-N -2 3 349.347 0.240 20 0 ECADHL COC[C@@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000826148415 587999309 /nfs/dbraw/zinc/99/93/09/587999309.db2.gz IDRLFQKVJSYSTO-BJOHPYRUSA-N -2 3 349.347 0.240 20 0 ECADHL COCc1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826164480 588003721 /nfs/dbraw/zinc/00/37/21/588003721.db2.gz BYSYGBKXIBUVBF-UHFFFAOYSA-N -2 3 335.349 0.537 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000826255430 588016996 /nfs/dbraw/zinc/01/69/96/588016996.db2.gz XXOXWWNMHVKPFP-SNVBAGLBSA-N -2 3 337.361 0.413 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000826255430 588016998 /nfs/dbraw/zinc/01/69/98/588016998.db2.gz XXOXWWNMHVKPFP-SNVBAGLBSA-N -2 3 337.361 0.413 20 0 ECADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C)o1 ZINC000826272558 588018632 /nfs/dbraw/zinc/01/86/32/588018632.db2.gz PSPLPPFIDXOXML-UHFFFAOYSA-N -2 3 336.333 0.523 20 0 ECADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C)o1 ZINC000826272558 588018634 /nfs/dbraw/zinc/01/86/34/588018634.db2.gz PSPLPPFIDXOXML-UHFFFAOYSA-N -2 3 336.333 0.523 20 0 ECADHL Cc1cccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c1-c1nnn[n-]1 ZINC000826300847 588021375 /nfs/dbraw/zinc/02/13/75/588021375.db2.gz IOFUEAPSGBTBRV-QMMMGPOBSA-N -2 3 325.350 0.269 20 0 ECADHL Cc1cccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c1-c1nn[n-]n1 ZINC000826300847 588021377 /nfs/dbraw/zinc/02/13/77/588021377.db2.gz IOFUEAPSGBTBRV-QMMMGPOBSA-N -2 3 325.350 0.269 20 0 ECADHL Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1-c1nnn[n-]1 ZINC000826302038 588021710 /nfs/dbraw/zinc/02/17/10/588021710.db2.gz YQKLAYBUOYTPTO-NSHDSACASA-N -2 3 339.377 0.563 20 0 ECADHL Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1-c1nn[n-]n1 ZINC000826302038 588021712 /nfs/dbraw/zinc/02/17/12/588021712.db2.gz YQKLAYBUOYTPTO-NSHDSACASA-N -2 3 339.377 0.563 20 0 ECADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493127 588062564 /nfs/dbraw/zinc/06/25/64/588062564.db2.gz UZYFRJOKFYFTEJ-UHFFFAOYSA-N -3 3 336.308 0.907 20 0 ECADHL CC(C)c1nncn1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000827175781 588102958 /nfs/dbraw/zinc/10/29/58/588102958.db2.gz ZWRYSUVYOVHZIT-UHFFFAOYSA-N -2 3 328.350 0.671 20 0 ECADHL C[C@H](CS(=O)(=O)[N-]CC(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000827559344 588128147 /nfs/dbraw/zinc/12/81/47/588128147.db2.gz WGBVEQSTXWKEOC-SNVBAGLBSA-N -2 3 326.374 0.216 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c(C)o1 ZINC000828579184 588191201 /nfs/dbraw/zinc/19/12/01/588191201.db2.gz ISVXLFHJCDGJDW-VIFPVBQESA-N -2 3 345.377 0.368 20 0 ECADHL COC(=O)Cc1n[n-]c(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)n1 ZINC000828700293 588199968 /nfs/dbraw/zinc/19/99/68/588199968.db2.gz RTUVQKDMVWBKSJ-SNVBAGLBSA-N -2 3 347.331 0.510 20 0 ECADHL COC(=O)Cc1nnc(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)[n-]1 ZINC000828700293 588199969 /nfs/dbraw/zinc/19/99/69/588199969.db2.gz RTUVQKDMVWBKSJ-SNVBAGLBSA-N -2 3 347.331 0.510 20 0 ECADHL COC(=O)Cc1nc(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)n[n-]1 ZINC000828700293 588199970 /nfs/dbraw/zinc/19/99/70/588199970.db2.gz RTUVQKDMVWBKSJ-SNVBAGLBSA-N -2 3 347.331 0.510 20 0 ECADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-])c1 ZINC000828777779 588204012 /nfs/dbraw/zinc/20/40/12/588204012.db2.gz APPQDWIRNZNYLX-UHFFFAOYSA-N -2 3 348.352 0.937 20 0 ECADHL Cc1cc(CS(=O)(=O)[N-]C[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])no1 ZINC000830044540 588356513 /nfs/dbraw/zinc/35/65/13/588356513.db2.gz IHQODKZSKAXODB-KOLCDFICSA-N -2 3 347.393 0.906 20 0 ECADHL Cc1cc(CS(=O)(=O)[N-]C[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])no1 ZINC000830044543 588356558 /nfs/dbraw/zinc/35/65/58/588356558.db2.gz IHQODKZSKAXODB-ONGXEEELSA-N -2 3 347.393 0.906 20 0 ECADHL Cn1ncc2c1nc(COC(=O)C[C@H]1CCCN1C(=O)[O-])[n-]c2=O ZINC000831054320 588401742 /nfs/dbraw/zinc/40/17/42/588401742.db2.gz BJYUCJGZPNSZJB-MRVPVSSYSA-N -2 3 335.320 0.645 20 0 ECADHL Cn1ncc2c1nc(CN1CC[C@H]3CC[C@@H](C1)N3C(=O)[O-])[n-]c2=O ZINC000831054591 588401799 /nfs/dbraw/zinc/40/17/99/588401799.db2.gz GUPCSFVARHOYEJ-ZJUUUORDSA-N -2 3 332.364 0.786 20 0 ECADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C1CC1 ZINC000831078837 588403478 /nfs/dbraw/zinc/40/34/78/588403478.db2.gz OWNNOTLDRWUPGJ-NSHDSACASA-N -2 3 349.311 0.893 20 0 ECADHL O=C([O-])N1CCO[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000831394532 588424059 /nfs/dbraw/zinc/42/40/59/588424059.db2.gz NYQKDMVWHTYEGM-NSHDSACASA-N -2 3 332.320 0.574 20 0 ECADHL O=C([O-])N1CCO[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000831394532 588424061 /nfs/dbraw/zinc/42/40/61/588424061.db2.gz NYQKDMVWHTYEGM-NSHDSACASA-N -2 3 332.320 0.574 20 0 ECADHL O=C([O-])N1CC[C@](F)(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000831901048 588456184 /nfs/dbraw/zinc/45/61/84/588456184.db2.gz FAZBSZMTNHBQRG-CQSZACIVSA-N -2 3 334.311 0.575 20 0 ECADHL O=C([O-])N1CC[C@](F)(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000831901048 588456185 /nfs/dbraw/zinc/45/61/85/588456185.db2.gz FAZBSZMTNHBQRG-CQSZACIVSA-N -2 3 334.311 0.575 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1 ZINC000831933946 588457378 /nfs/dbraw/zinc/45/73/78/588457378.db2.gz DPJKGTZRZHUADR-ZETCQYMHSA-N -2 3 348.402 0.354 20 0 ECADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000832231123 588475721 /nfs/dbraw/zinc/47/57/21/588475721.db2.gz NUJJDUYJPKCRIK-RYUDHWBXSA-N -2 3 349.343 0.315 20 0 ECADHL NC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000833086034 588520019 /nfs/dbraw/zinc/52/00/19/588520019.db2.gz ZXCKKKVLFRINQL-UHFFFAOYSA-N -2 3 330.343 0.617 20 0 ECADHL O=C([O-])[C@@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000833097280 588521614 /nfs/dbraw/zinc/52/16/14/588521614.db2.gz IVGSDWRCRHJHCP-ONGXEEELSA-N -2 3 339.735 0.570 20 0 ECADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCn2cncn2)cc(F)c1F ZINC000833304679 588534275 /nfs/dbraw/zinc/53/42/75/588534275.db2.gz DCOFQBYBOBGISU-UHFFFAOYSA-N -2 3 332.288 0.233 20 0 ECADHL CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@@H](C)C1 ZINC000833393454 588538372 /nfs/dbraw/zinc/53/83/72/588538372.db2.gz JMZVSTDQEYLUEG-KWQFWETISA-N -2 3 330.362 0.513 20 0 ECADHL CC(=O)NC1CCC([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000833396848 588539153 /nfs/dbraw/zinc/53/91/53/588539153.db2.gz ZKPDQQQLIZVION-UHFFFAOYSA-N -2 3 347.418 0.567 20 0 ECADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000833722263 588562749 /nfs/dbraw/zinc/56/27/49/588562749.db2.gz PHEFPNITHYGNQU-CYBMUJFWSA-N -2 3 349.361 0.533 20 0 ECADHL O=C([O-])N1CCC(CCC(=O)Nc2nnc(SCCO)[n-]2)CC1 ZINC000833991636 588585003 /nfs/dbraw/zinc/58/50/03/588585003.db2.gz SKHXTKQJPITRSX-UHFFFAOYSA-N -2 3 343.409 0.998 20 0 ECADHL O=C([O-])N1CCC(CCC(=O)Nc2n[n-]c(SCCO)n2)CC1 ZINC000833991636 588585004 /nfs/dbraw/zinc/58/50/04/588585004.db2.gz SKHXTKQJPITRSX-UHFFFAOYSA-N -2 3 343.409 0.998 20 0 ECADHL O=C([O-])N1CCC(CCC(=O)Nc2nc(SCCO)n[n-]2)CC1 ZINC000833991636 588585005 /nfs/dbraw/zinc/58/50/05/588585005.db2.gz SKHXTKQJPITRSX-UHFFFAOYSA-N -2 3 343.409 0.998 20 0 ECADHL O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000834073545 588592854 /nfs/dbraw/zinc/59/28/54/588592854.db2.gz JUQJQZIOFKMJSI-LLVKDONJSA-N -2 3 342.421 0.888 20 0 ECADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844788575 589121433 /nfs/dbraw/zinc/12/14/33/589121433.db2.gz KGJFLNLBVLZUTI-RXMQYKEDSA-N -3 3 340.716 0.328 20 0 ECADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000844799340 589121951 /nfs/dbraw/zinc/12/19/51/589121951.db2.gz PTMPAHPPIWOKNC-SECBINFHSA-N -2 3 329.309 0.801 20 0 ECADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nnnn1C1CC1 ZINC000844888552 589124625 /nfs/dbraw/zinc/12/46/25/589124625.db2.gz UZENVQMGAHHDFH-LURJTMIESA-N -2 3 343.390 0.807 20 0 ECADHL CC[S@@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000844894074 589124985 /nfs/dbraw/zinc/12/49/85/589124985.db2.gz IVLLHABZQZKERU-HXUWFJFHSA-N -2 3 337.394 0.879 20 0 ECADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000846002025 589180567 /nfs/dbraw/zinc/18/05/67/589180567.db2.gz KQXNVOJOZFSGJW-UHFFFAOYSA-N -2 3 328.177 0.734 20 0 ECADHL CCO[N-]C(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000846493252 589204772 /nfs/dbraw/zinc/20/47/72/589204772.db2.gz SKSNNCKJGOQPKA-GFCCVEGCSA-N -2 3 335.360 0.181 20 0 ECADHL COC[C@H](CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])OC ZINC000852733154 589507775 /nfs/dbraw/zinc/50/77/75/589507775.db2.gz NUSBAXLNNNARKE-IVZWLZJFSA-N -2 3 342.314 0.244 20 0 ECADHL C[C@@](CC(=O)[O-])(NC(=O)C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000864199202 590059955 /nfs/dbraw/zinc/05/99/55/590059955.db2.gz QRRMUMFCRMJQRI-ZDUSSCGKSA-N -2 3 346.430 0.786 20 0 ECADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000864501044 590084454 /nfs/dbraw/zinc/08/44/54/590084454.db2.gz JHFIOJVYQSUACI-WRXNHJIOSA-N -2 3 335.179 0.986 20 0 ECADHL CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1=O ZINC000318843531 601237540 /nfs/dbraw/zinc/23/75/40/601237540.db2.gz VKHDJCXDXFZRSC-SSDOTTSWSA-N -2 3 334.300 0.172 20 0 ECADHL CC(C)CCC(=O)[N-][N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000066589548 608948698 /nfs/dbraw/zinc/94/86/98/608948698.db2.gz ZNVMQQILKMYWOA-UHFFFAOYSA-N -2 3 349.434 0.080 20 0 ECADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(O)c(C(=O)OC)c1 ZINC000064375365 609720728 /nfs/dbraw/zinc/72/07/28/609720728.db2.gz KSFITHHLNVOFKM-UHFFFAOYSA-N -2 3 345.377 0.471 20 0 ECADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000170306715 609749502 /nfs/dbraw/zinc/74/95/02/609749502.db2.gz UHSZAGFEXBHWHM-RYUDHWBXSA-N -2 3 340.357 0.757 20 0 ECADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(O)c(C(=O)OC)c1 ZINC000070776414 610527258 /nfs/dbraw/zinc/52/72/58/610527258.db2.gz WGQBOTWMRXVOMZ-UHFFFAOYSA-N -2 3 331.350 0.081 20 0 ECADHL O=C([N-]C[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1)C(F)(F)F ZINC000867282999 611311893 /nfs/dbraw/zinc/31/18/93/611311893.db2.gz SLGSBIWMMDPCQJ-QMMMGPOBSA-N -2 3 340.327 0.489 20 0 ECADHL O=C(NC[C@H]1CCN1C(=O)c1ncccc1[O-])c1ncccc1[O-] ZINC000949535704 612024950 /nfs/dbraw/zinc/02/49/50/612024950.db2.gz YOZSIMZTJFQGDA-SNVBAGLBSA-N -2 3 328.328 0.532 20 0 ECADHL Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)c1[O-] ZINC001024930260 738404894 /nfs/dbraw/zinc/40/48/94/738404894.db2.gz RSFIXDMCJZHLHO-SECBINFHSA-N -2 3 335.368 0.032 20 0 ECADHL C[C@H](NC(=O)c1cnc[n-]c1=O)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025453572 739545628 /nfs/dbraw/zinc/54/56/28/739545628.db2.gz SIALUGYRMCWXGC-UWVGGRQHSA-N -2 3 347.379 0.036 20 0 ECADHL CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)c1ncccc1[O-] ZINC000977621693 745307462 /nfs/dbraw/zinc/30/74/62/745307462.db2.gz UQGBZLSUSRYPTC-LLVKDONJSA-N -2 3 342.355 0.875 20 0 ECADHL O=C(c1ccccc1[O-])N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981630838 750903866 /nfs/dbraw/zinc/90/38/66/750903866.db2.gz AYNHTHDLGMFSHH-UHFFFAOYSA-N -2 3 343.387 0.954 20 0 ECADHL O=C(NCCCc1c[n-][nH]c1=O)c1ncc(Br)cc1[O-] ZINC001168401896 762333211 /nfs/dbraw/zinc/33/32/11/762333211.db2.gz BSGAOCHHPHLUEG-SSDOTTSWSA-N -2 3 341.165 0.792 20 0 ECADHL C[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)c1ncccc1[O-] ZINC001012514407 760151870 /nfs/dbraw/zinc/15/18/70/760151870.db2.gz YPKRCAPQJCJCQQ-NXEZZACHSA-N -2 3 343.343 0.316 20 0 ECADHL Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000993698537 769532517 /nfs/dbraw/zinc/53/25/17/769532517.db2.gz AIRDFETXBMORPF-ZJUUUORDSA-N -2 3 347.379 0.097 20 0 ECADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000036960362 213126997 /nfs/dbraw/zinc/12/69/97/213126997.db2.gz UXOSYDGSZVWZHR-MHTLYPKNSA-N -2 3 344.208 0.623 20 0 ECADHL CCCN(CC(=O)[O-])C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000262358526 244940548 /nfs/dbraw/zinc/94/05/48/244940548.db2.gz IBMLYRRCWLFTGL-JTQLQIEISA-N -2 3 346.380 0.816 20 0 ECADHL O=C([O-])[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000262679931 245114655 /nfs/dbraw/zinc/11/46/55/245114655.db2.gz SKRQUSUCVFVIIW-VIFPVBQESA-N -2 3 332.403 0.492 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C)o1 ZINC000262748595 245157514 /nfs/dbraw/zinc/15/75/14/245157514.db2.gz IGWNCCBCSDIUCI-ZDUSSCGKSA-N -2 3 330.362 0.433 20 0 ECADHL CCC[C@@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-] ZINC000263187599 245357963 /nfs/dbraw/zinc/35/79/63/245357963.db2.gz MFBJLOYNJQWUNM-APPDUMDISA-N -2 3 347.371 0.972 20 0 ECADHL Cc1nc[n-]c(=O)c1C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001077938858 781970695 /nfs/dbraw/zinc/97/06/95/781970695.db2.gz KNCUPXGHLFSSEN-VIFPVBQESA-N -2 3 345.359 0.530 20 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VGIJIVPCEMEPAK-NSHDSACASA-N -2 3 335.360 0.689 20 0 ECADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(NC(=O)[O-])CCCCC1 ZINC000740343648 579740852 /nfs/dbraw/zinc/74/08/52/579740852.db2.gz TZZGQICCFZKMHK-UHFFFAOYSA-N -2 3 325.325 0.170 20 0 ECADHL O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740352230 579741396 /nfs/dbraw/zinc/74/13/96/579741396.db2.gz BXAAYDYXJPCIBU-GFCCVEGCSA-N -2 3 346.343 0.649 20 0 ECADHL O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740355868 579741579 /nfs/dbraw/zinc/74/15/79/579741579.db2.gz ZAZNVCAATDYPPM-GFCCVEGCSA-N -2 3 346.343 0.649 20 0 ECADHL O=C([O-])N1CC[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000740363046 579741833 /nfs/dbraw/zinc/74/18/33/579741833.db2.gz MSFOFVNNDFCCGJ-SNVBAGLBSA-N -2 3 346.343 0.361 20 0 ECADHL O=C([O-])N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000740401038 579745016 /nfs/dbraw/zinc/74/50/16/579745016.db2.gz RMJXYEGTGDIFTG-AAEUAGOBSA-N -2 3 347.371 0.865 20 0 ECADHL O=C([O-])N1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000740408884 579745882 /nfs/dbraw/zinc/74/58/82/579745882.db2.gz DGBQRIYZXWTMAQ-SNVBAGLBSA-N -2 3 331.328 0.833 20 0 ECADHL CS(=O)(=O)c1nc([N-]C(=O)c2cnn(-c3ccccc3)n2)n[n-]1 ZINC000747343237 579851372 /nfs/dbraw/zinc/85/13/72/579851372.db2.gz PPBXVASAZHVHFF-UHFFFAOYSA-N -2 3 333.333 0.041 20 0 ECADHL O=C([O-])N[C@@H](CC(F)F)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000834132397 588883584 /nfs/dbraw/zinc/88/35/84/588883584.db2.gz ZLSLHFRIMLSZNK-VIFPVBQESA-N -2 3 340.290 0.774 20 0 ECADHL O=C([O-])N[C@@H](CC(F)F)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000834132397 588883586 /nfs/dbraw/zinc/88/35/86/588883586.db2.gz ZLSLHFRIMLSZNK-VIFPVBQESA-N -2 3 340.290 0.774 20 0 ECADHL O=C([O-])NCC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000834197769 588889021 /nfs/dbraw/zinc/88/90/21/588889021.db2.gz AVJBOSDDPQUECE-UHFFFAOYSA-N -2 3 335.238 0.733 20 0 ECADHL O=C([O-])NCC(=O)NCC(=O)Nc1ccc(Br)cc1[O-] ZINC000834198888 588889177 /nfs/dbraw/zinc/88/91/77/588889177.db2.gz QZGAICUBYNQODB-UHFFFAOYSA-N -2 3 346.137 0.477 20 0 ECADHL CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000840889018 588974486 /nfs/dbraw/zinc/97/44/86/588974486.db2.gz DNDSWPHRUWIXRX-JQWIXIFHSA-N -2 3 347.364 0.854 20 0 ECADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CCO1 ZINC000838915275 586829000 /nfs/dbraw/zinc/82/90/00/586829000.db2.gz VHMZVCCRVUBECS-ZJUUUORDSA-N -2 3 338.389 0.968 20 0 ECADHL C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000905198138 586877703 /nfs/dbraw/zinc/87/77/03/586877703.db2.gz VUOYLIFDPUBMKG-JTQLQIEISA-N -2 3 346.380 0.523 20 0 ECADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000907004078 587005370 /nfs/dbraw/zinc/00/53/70/587005370.db2.gz GKSATMXGKVSVOR-PHIMTYICSA-N -2 3 346.430 0.588 20 0 ECADHL CCOC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(OC)c1)C(=O)[O-] ZINC000811673037 587222998 /nfs/dbraw/zinc/22/29/98/587222998.db2.gz BJFIUEUUTAYDHR-QMMMGPOBSA-N -2 3 338.769 0.512 20 0 ECADHL COc1ccc(Br)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1 ZINC000816733517 587322059 /nfs/dbraw/zinc/32/20/59/587322059.db2.gz AGYIZXIEARYIPM-UHFFFAOYSA-N -2 3 329.110 0.844 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1F ZINC000817869992 587389818 /nfs/dbraw/zinc/38/98/18/587389818.db2.gz HTMHZERMDBHUMO-PSASIEDQSA-N -2 3 344.364 0.527 20 0 ECADHL COc1ccc([O-])c(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000818315550 587422166 /nfs/dbraw/zinc/42/21/66/587422166.db2.gz HPRULWBBXFRFDH-SECBINFHSA-N -2 3 332.316 0.778 20 0 ECADHL COc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c([O-])c1 ZINC000818317007 587422466 /nfs/dbraw/zinc/42/24/66/587422466.db2.gz UPNWELVVCATOFE-VIFPVBQESA-N -2 3 332.316 0.778 20 0 ECADHL O=C([O-])C[C@]1([N-]S(=O)(=O)c2cccc3nonc32)CCOC1 ZINC000819105689 587468792 /nfs/dbraw/zinc/46/87/92/587468792.db2.gz HUINDWNDGLUXSI-GFCCVEGCSA-N -2 3 327.318 0.135 20 0 ECADHL CC(C)(C)[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000819898012 587495783 /nfs/dbraw/zinc/49/57/83/587495783.db2.gz BWTZVRWFLLWRBL-GFCCVEGCSA-N -2 3 333.348 0.861 20 0 ECADHL CC(C)(C)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000819898012 587495785 /nfs/dbraw/zinc/49/57/85/587495785.db2.gz BWTZVRWFLLWRBL-GFCCVEGCSA-N -2 3 333.348 0.861 20 0 ECADHL CC(C)n1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cn1 ZINC000820214507 587517069 /nfs/dbraw/zinc/51/70/69/587517069.db2.gz GAGMRXNMCZEIAX-UHFFFAOYSA-N -2 3 340.394 0.901 20 0 ECADHL CC(C)N(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820534274 587539943 /nfs/dbraw/zinc/53/99/43/587539943.db2.gz KXMYUXXZZPHEST-SNVBAGLBSA-N -2 3 333.348 0.956 20 0 ECADHL CC(C)N(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820534274 587539944 /nfs/dbraw/zinc/53/99/44/587539944.db2.gz KXMYUXXZZPHEST-SNVBAGLBSA-N -2 3 333.348 0.956 20 0 ECADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821016469 587569663 /nfs/dbraw/zinc/56/96/63/587569663.db2.gz WYEHILWRCLXDCD-VIFPVBQESA-N -2 3 340.409 0.701 20 0 ECADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821016469 587569664 /nfs/dbraw/zinc/56/96/64/587569664.db2.gz WYEHILWRCLXDCD-VIFPVBQESA-N -2 3 340.409 0.701 20 0 ECADHL CCN1CCN(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])CC1 ZINC000821266444 587581206 /nfs/dbraw/zinc/58/12/06/587581206.db2.gz CWYJVIJSJFZJDH-UHFFFAOYSA-N -2 3 331.380 0.148 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@H]1CSCCS1 ZINC000821588810 587602781 /nfs/dbraw/zinc/60/27/81/587602781.db2.gz JSWOJBYHWGVXSA-SNVBAGLBSA-N -2 3 344.443 0.611 20 0 ECADHL COc1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821877548 587634318 /nfs/dbraw/zinc/63/43/18/587634318.db2.gz LOEWGSJOMQQTCL-UHFFFAOYSA-N -2 3 335.349 0.410 20 0 ECADHL Cc1nn(C)c(C)c1OCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822491568 587662041 /nfs/dbraw/zinc/66/20/41/587662041.db2.gz DWOIMIFCIUIQJO-UHFFFAOYSA-N -2 3 343.347 0.940 20 0 ECADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000822622416 587669959 /nfs/dbraw/zinc/66/99/59/587669959.db2.gz CQKQTXHPMFPKHF-UHFFFAOYSA-N -2 3 341.303 0.679 20 0 ECADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccnc2Cl)n1 ZINC000822623149 587670189 /nfs/dbraw/zinc/67/01/89/587670189.db2.gz PKRKNNYWMOREEL-UHFFFAOYSA-N -2 3 340.756 0.449 20 0 ECADHL O=C(C=CC1CC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822923198 587690973 /nfs/dbraw/zinc/69/09/73/587690973.db2.gz OCPIYYICMUFIGS-BQYQJAHWSA-N -2 3 333.373 0.779 20 0 ECADHL O=C(C=CC1CC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822923198 587690975 /nfs/dbraw/zinc/69/09/75/587690975.db2.gz OCPIYYICMUFIGS-BQYQJAHWSA-N -2 3 333.373 0.779 20 0 ECADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823266139 587713404 /nfs/dbraw/zinc/71/34/04/587713404.db2.gz MQWWMYJDUUFKHL-UHFFFAOYSA-N -2 3 335.715 0.666 20 0 ECADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823266139 587713405 /nfs/dbraw/zinc/71/34/05/587713405.db2.gz MQWWMYJDUUFKHL-UHFFFAOYSA-N -2 3 335.715 0.666 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CC1 ZINC000823284044 587713977 /nfs/dbraw/zinc/71/39/77/587713977.db2.gz AMNXOYLWESGRHU-QWHCGFSZSA-N -2 3 347.400 0.859 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CC1 ZINC000823284044 587713979 /nfs/dbraw/zinc/71/39/79/587713979.db2.gz AMNXOYLWESGRHU-QWHCGFSZSA-N -2 3 347.400 0.859 20 0 ECADHL O=S(=O)([N-][C@@H]1CCCOC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823573029 587731041 /nfs/dbraw/zinc/73/10/41/587731041.db2.gz QLYNDAXELSMZCI-MRVPVSSYSA-N -2 3 345.331 0.602 20 0 ECADHL O=S(=O)([N-][C@@H]1CCCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573029 587731043 /nfs/dbraw/zinc/73/10/43/587731043.db2.gz QLYNDAXELSMZCI-MRVPVSSYSA-N -2 3 345.331 0.602 20 0 ECADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000823760436 587742209 /nfs/dbraw/zinc/74/22/09/587742209.db2.gz SIRNQGRDHSUWPN-UWVGGRQHSA-N -2 3 336.410 0.636 20 0 ECADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824052594 587851718 /nfs/dbraw/zinc/85/17/18/587851718.db2.gz PVKOHVMMVLWPEF-MRVPVSSYSA-N -2 3 325.350 0.101 20 0 ECADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824052594 587851719 /nfs/dbraw/zinc/85/17/19/587851719.db2.gz PVKOHVMMVLWPEF-MRVPVSSYSA-N -2 3 325.350 0.101 20 0 ECADHL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824152543 587857177 /nfs/dbraw/zinc/85/71/77/587857177.db2.gz GWYCXUZZDDYIRM-UHFFFAOYSA-N -2 3 339.377 0.788 20 0 ECADHL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824152543 587857178 /nfs/dbraw/zinc/85/71/78/587857178.db2.gz GWYCXUZZDDYIRM-UHFFFAOYSA-N -2 3 339.377 0.788 20 0 ECADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824640174 587883139 /nfs/dbraw/zinc/88/31/39/587883139.db2.gz CCNOSBIUKCTZGP-RXMQYKEDSA-N -2 3 331.741 0.272 20 0 ECADHL C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824640174 587883140 /nfs/dbraw/zinc/88/31/40/587883140.db2.gz CCNOSBIUKCTZGP-RXMQYKEDSA-N -2 3 331.741 0.272 20 0 ECADHL C[C@H](CCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)NC(=O)[O-] ZINC000824802964 587894754 /nfs/dbraw/zinc/89/47/54/587894754.db2.gz PJWNMXZSNMPDNK-ABKXIKBNSA-N -2 3 348.359 0.517 20 0 ECADHL C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])CCO1 ZINC000825346898 587934099 /nfs/dbraw/zinc/93/40/99/587934099.db2.gz YYVHKWRPUYBIIE-SKDRFNHKSA-N -2 3 346.343 0.833 20 0 ECADHL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cn(C)c(=O)[n-]c2=O)cc1 ZINC000825398036 587937973 /nfs/dbraw/zinc/93/79/73/587937973.db2.gz SHTKOXWGFPODGA-SECBINFHSA-N -2 3 346.343 0.745 20 0 ECADHL CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2n[nH]c(=O)[n-]2)n1 ZINC000825559843 587949926 /nfs/dbraw/zinc/94/99/26/587949926.db2.gz KDYFIVZOLQGRKB-UHFFFAOYSA-N -2 3 348.348 0.554 20 0 ECADHL CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2n[nH]c(=O)[n-]2)n1 ZINC000825559843 587949927 /nfs/dbraw/zinc/94/99/27/587949927.db2.gz KDYFIVZOLQGRKB-UHFFFAOYSA-N -2 3 348.348 0.554 20 0 ECADHL C[C@@]1(c2ccc(C(=O)NCCCNC(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000825766287 587960132 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/nfs/dbraw/zinc/28/36/63/579283663.db2.gz YGIDHBGTXJFGGH-VIFPVBQESA-N -2 3 344.780 0.443 20 0 ECADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)s1 ZINC000776577286 579284544 /nfs/dbraw/zinc/28/45/44/579284544.db2.gz KWIHYBSOEQVSBV-SNVBAGLBSA-N -2 3 347.414 0.995 20 0 ECADHL CCn1cnc(S(=O)(=O)[N-][C@H](CC2CCOCC2)C(=O)[O-])c1 ZINC000776599679 579285929 /nfs/dbraw/zinc/28/59/29/579285929.db2.gz BPFXASBYCBAJFN-LLVKDONJSA-N -2 3 331.394 0.451 20 0 ECADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])c1 ZINC000776644741 579287053 /nfs/dbraw/zinc/28/70/53/579287053.db2.gz FAMMZYHSNQRKJE-QMMMGPOBSA-N -2 3 347.784 0.010 20 0 ECADHL Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)c1C(=O)[O-] ZINC000738238720 579613341 /nfs/dbraw/zinc/61/33/41/579613341.db2.gz YNSAWIOGEJESGN-ABKXIKBNSA-N -2 3 348.359 0.185 20 0 ECADHL Cc1ccc(C(=O)NCCC(=O)N2CCN(C(=O)[O-])CC2)c([O-])c1 ZINC000738260145 579614686 /nfs/dbraw/zinc/61/46/86/579614686.db2.gz BYEOXROZEFWQMT-UHFFFAOYSA-N -2 3 335.360 0.643 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739036325 579662481 /nfs/dbraw/zinc/66/24/81/579662481.db2.gz COIZAWDNHPOGHT-RKDXNWHRSA-N -2 3 347.418 0.283 20 0 ECADHL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000739205805 579675823 /nfs/dbraw/zinc/67/58/23/579675823.db2.gz HAKVVXFGKDRLOP-DTWKUNHWSA-N -2 3 332.382 0.202 20 0 ECADHL CCN(CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000739395133 579684895 /nfs/dbraw/zinc/68/48/95/579684895.db2.gz YKQMCELKRLIGKC-UHFFFAOYSA-N -2 3 335.360 0.677 20 0 ECADHL O=C([O-])CC[C@@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000739659240 579700694 /nfs/dbraw/zinc/70/06/94/579700694.db2.gz LYVPKYVGSLYRJZ-NEPJUHHUSA-N -2 3 333.344 0.697 20 0 ECADHL COc1ccc(C(=O)[N-]C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739881311 579720680 /nfs/dbraw/zinc/72/06/80/579720680.db2.gz CXRWGPZLIPFDNZ-SMDDNHRTSA-N -2 3 349.387 0.930 20 0 ECADHL O=C([O-])Cc1nc([N-]C(=O)c2cn(-c3ccc(Cl)cc3)nn2)n[nH]1 ZINC000739899119 579721048 /nfs/dbraw/zinc/72/10/48/579721048.db2.gz CAJLTZDHBUAZHY-UHFFFAOYSA-N -2 3 347.722 0.918 20 0 ECADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c1 ZINC000740145852 579730609 /nfs/dbraw/zinc/73/06/09/579730609.db2.gz ZFBSEAOBYICVLP-VIFPVBQESA-N -2 3 340.336 0.409 20 0 ECADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNC(=O)c2ccco2)o1 ZINC000740176439 579731572 /nfs/dbraw/zinc/73/15/72/579731572.db2.gz CZGIRQJSHVMPSF-UHFFFAOYSA-N -2 3 328.302 0.279 20 0 ECADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCC(=O)[O-] ZINC000740206920 579732412 /nfs/dbraw/zinc/73/24/12/579732412.db2.gz IBWWMVOZYYNUJO-UHFFFAOYSA-N -2 3 330.344 0.664 20 0 ECADHL Cn1ncc2c1nc(COC(=O)[C@@H]1CCCCN1C(=O)[O-])[n-]c2=O ZINC000740297344 579736446 /nfs/dbraw/zinc/73/64/46/579736446.db2.gz MVLMQMIYQLBRLI-VIFPVBQESA-N -2 3 335.320 0.645 20 0 ECADHL Cn1ncc2c1nc(COC(=O)CCC(C)(C)NC(=O)[O-])[n-]c2=O ZINC000740298893 579736595 /nfs/dbraw/zinc/73/65/95/579736595.db2.gz XLEVWWKGWRHFES-UHFFFAOYSA-N -2 3 337.336 0.939 20 0 ECADHL O=C([O-])N1CCC[C@H]1C(=O)Oc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000740731046 579760847 /nfs/dbraw/zinc/76/08/47/579760847.db2.gz AJXPAHVFEMDKKC-RYUDHWBXSA-N -2 3 347.327 0.485 20 0 ECADHL COC[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@H](C)COC ZINC000742473270 579787467 /nfs/dbraw/zinc/78/74/67/579787467.db2.gz ZPHBSWXYXAEJCA-HTQZYQBOSA-N -2 3 332.294 0.559 20 0 ECADHL O=C([O-])Nc1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000834263293 588892425 /nfs/dbraw/zinc/89/24/25/588892425.db2.gz SNYLDTKZDGJAGX-SNVBAGLBSA-N -2 3 333.304 0.544 20 0 ECADHL Cc1n[n-]nc1C(=O)OCC(=O)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000837690552 588958662 /nfs/dbraw/zinc/95/86/62/588958662.db2.gz AHVVLYLUVDKQOV-UHFFFAOYSA-N -2 3 348.281 0.830 20 0 ECADHL CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000840889019 588974548 /nfs/dbraw/zinc/97/45/48/588974548.db2.gz DNDSWPHRUWIXRX-PWSUYJOCSA-N -2 3 347.364 0.854 20 0 ECADHL CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000842358373 589028823 /nfs/dbraw/zinc/02/88/23/589028823.db2.gz LFSKCRKVSNTUSQ-GFCCVEGCSA-N -2 3 326.378 0.824 20 0 ECADHL C[C@@H]1CO[C@@H](C)CN1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000907038120 587009040 /nfs/dbraw/zinc/00/90/40/587009040.db2.gz DTDIUCMTMAYOOO-ZJUUUORDSA-N -2 3 348.446 0.834 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2n[n-]c(C)cc2=O)c(C)o1 ZINC000802174297 587012323 /nfs/dbraw/zinc/01/23/23/587012323.db2.gz JJKLBQTVXBASDB-UHFFFAOYSA-N -2 3 341.345 0.657 20 0 ECADHL CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(NC(C)=O)ccc2[O-])C1=O ZINC000813546945 587256332 /nfs/dbraw/zinc/25/63/32/587256332.db2.gz LAFUMNVNAVWUKH-HNNXBMFYSA-N -2 3 334.332 0.716 20 0 ECADHL COC(=O)c1cc(C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)c[n-]1 ZINC000816013931 587304448 /nfs/dbraw/zinc/30/44/48/587304448.db2.gz HRRGZJSFFZMCSO-UHFFFAOYSA-N -2 3 345.315 0.240 20 0 ECADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1 ZINC000819091272 587467975 /nfs/dbraw/zinc/46/79/75/587467975.db2.gz CVSOKRILKHMQQV-LJGSYFOKSA-N -2 3 348.764 0.663 20 0 ECADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819868512 587493926 /nfs/dbraw/zinc/49/39/26/587493926.db2.gz ZILGVXOBXASVQY-SECBINFHSA-N -2 3 335.389 0.859 20 0 ECADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819868512 587493928 /nfs/dbraw/zinc/49/39/28/587493928.db2.gz ZILGVXOBXASVQY-SECBINFHSA-N -2 3 335.389 0.859 20 0 ECADHL CC(C)S(=O)(=O)c1ccccc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000820281426 587523770 /nfs/dbraw/zinc/52/37/70/587523770.db2.gz BHTOZDOMOQGEID-UHFFFAOYSA-N -2 3 326.334 0.255 20 0 ECADHL Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822366623 587655880 /nfs/dbraw/zinc/65/58/80/587655880.db2.gz PWCKSMZYPNJLEV-UHFFFAOYSA-N -2 3 346.372 0.632 20 0 ECADHL Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822366623 587655882 /nfs/dbraw/zinc/65/58/82/587655882.db2.gz PWCKSMZYPNJLEV-UHFFFAOYSA-N -2 3 346.372 0.632 20 0 ECADHL O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822945314 587692710 /nfs/dbraw/zinc/69/27/10/587692710.db2.gz AZIWQLRNFFRKMW-MRVPVSSYSA-N -2 3 337.361 0.336 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cncc(F)c1 ZINC000823284883 587714360 /nfs/dbraw/zinc/71/43/60/587714360.db2.gz LVAMQMNQFQCZCT-UHFFFAOYSA-N -2 3 348.319 0.520 20 0 ECADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cncc(F)c1 ZINC000823284883 587714362 /nfs/dbraw/zinc/71/43/62/587714362.db2.gz LVAMQMNQFQCZCT-UHFFFAOYSA-N -2 3 348.319 0.520 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000823285524 587714392 /nfs/dbraw/zinc/71/43/92/587714392.db2.gz VJMWSPCEUORIBC-SECBINFHSA-N -2 3 339.402 0.425 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000823285524 587714394 /nfs/dbraw/zinc/71/43/94/587714394.db2.gz VJMWSPCEUORIBC-SECBINFHSA-N -2 3 339.402 0.425 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC12CCC2 ZINC000823284777 587714551 /nfs/dbraw/zinc/71/45/51/587714551.db2.gz JNZOJUBLGVFEIA-NSHDSACASA-N -2 3 333.373 0.862 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC12CCC2 ZINC000823284777 587714552 /nfs/dbraw/zinc/71/45/52/587714552.db2.gz JNZOJUBLGVFEIA-NSHDSACASA-N -2 3 333.373 0.862 20 0 ECADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cccc2nonc21)NC(=O)[O-] ZINC000824124143 587856000 /nfs/dbraw/zinc/85/60/00/587856000.db2.gz WCJTVIBQZYTBDW-VIFPVBQESA-N -2 3 328.350 0.793 20 0 ECADHL CC(C)[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824338182 587869010 /nfs/dbraw/zinc/86/90/10/587869010.db2.gz RVNZJHYRNAUWSK-SNVBAGLBSA-N -2 3 325.350 0.254 20 0 ECADHL CC(C)[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824338182 587869011 /nfs/dbraw/zinc/86/90/11/587869011.db2.gz RVNZJHYRNAUWSK-SNVBAGLBSA-N -2 3 325.350 0.254 20 0 ECADHL C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)NC(=O)[O-] ZINC000824590341 587881207 /nfs/dbraw/zinc/88/12/07/587881207.db2.gz KGPNJKWMHAZVOC-NSHDSACASA-N -2 3 335.360 0.723 20 0 ECADHL C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000824731395 587890721 /nfs/dbraw/zinc/89/07/21/587890721.db2.gz VOMQAKYKVQAXEI-MGPLVRAMSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000824731395 587890722 /nfs/dbraw/zinc/89/07/22/587890722.db2.gz VOMQAKYKVQAXEI-MGPLVRAMSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@@H](COC(=O)CC[N-]S(=O)(=O)c1ccccc1F)NC(=O)[O-] ZINC000824986440 587908581 /nfs/dbraw/zinc/90/85/81/587908581.db2.gz GOZMSFFYKQVDMC-VIFPVBQESA-N -2 3 348.352 0.693 20 0 ECADHL C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2nnc3ccccc3c2[O-])CCO1 ZINC000825346897 587934078 /nfs/dbraw/zinc/93/40/78/587934078.db2.gz YYVHKWRPUYBIIE-JOYOIKCWSA-N -2 3 346.343 0.833 20 0 ECADHL CC(=O)NCCC[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000825875893 587968556 /nfs/dbraw/zinc/96/85/56/587968556.db2.gz NKYORFLZIQFNOB-UHFFFAOYSA-N -2 3 336.316 0.468 20 0 ECADHL C[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)[C@@H]1CNC(=O)[O-] ZINC000825932159 587974025 /nfs/dbraw/zinc/97/40/25/587974025.db2.gz PMFNSQWBHFKKKH-GXSJLCMTSA-N -2 3 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0.908 20 0 ECADHL Cc1nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)cn1C ZINC000560418063 322241108 /nfs/dbraw/zinc/24/11/08/322241108.db2.gz QCIWWYBRJIFLBW-SSDOTTSWSA-N -2 3 329.300 0.660 20 0 ECADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000564078990 322360826 /nfs/dbraw/zinc/36/08/26/322360826.db2.gz YGDFGHYBLWKFHZ-NSHDSACASA-N -2 3 327.366 0.302 20 0 ECADHL O=C([O-])c1ccc(N2CCN(c3nc4nncc-4c(O)[n-]3)CC2)nc1 ZINC000564456147 322376169 /nfs/dbraw/zinc/37/61/69/322376169.db2.gz JRTHTHVKWPFLST-UHFFFAOYSA-N -2 3 341.331 0.478 20 0 ECADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]Cc1nncn1C ZINC000567802897 322598550 /nfs/dbraw/zinc/59/85/50/322598550.db2.gz BEGPENHXCBHCRZ-UHFFFAOYSA-N -2 3 344.324 0.140 20 0 ECADHL Cc1ccc(S(=O)(=O)[N-]CCCCn2cc(C(=O)[O-])nn2)o1 ZINC000569107547 322643301 /nfs/dbraw/zinc/64/33/01/322643301.db2.gz AFTPPRZQZXJNBB-UHFFFAOYSA-N -2 3 328.350 0.636 20 0 ECADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)s1 ZINC000570469979 322688946 /nfs/dbraw/zinc/68/89/46/322688946.db2.gz URZZHFVNBGJHIS-UHFFFAOYSA-N -2 3 347.414 0.997 20 0 ECADHL CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000570680337 322695979 /nfs/dbraw/zinc/69/59/79/322695979.db2.gz SATLCBRUBKNBLL-ZDUSSCGKSA-N -2 3 331.394 0.833 20 0 ECADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])c(F)c1 ZINC000574134127 322773567 /nfs/dbraw/zinc/77/35/67/322773567.db2.gz MHWFXCJBVCNJGV-YUMQZZPRSA-N -2 3 333.337 1.000 20 0 ECADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC000574281558 322776565 /nfs/dbraw/zinc/77/65/65/322776565.db2.gz KWCNFBRWUKUERQ-YUMQZZPRSA-N -2 3 333.337 1.000 20 0 ECADHL Cn1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc3c(c2)CCO3)n1 ZINC000578766214 322874436 /nfs/dbraw/zinc/87/44/36/322874436.db2.gz GNWPROZUMMIOOI-ZDUSSCGKSA-N -2 3 337.357 0.459 20 0 ECADHL Cc1nnsc1C[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000579959395 322911785 /nfs/dbraw/zinc/91/17/85/322911785.db2.gz PWGSXLJREZPFPZ-UHFFFAOYSA-N -2 3 327.387 0.952 20 0 ECADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F)CC(=O)[O-] ZINC000323088157 545997971 /nfs/dbraw/zinc/99/79/71/545997971.db2.gz WYXNVLOZALQBEA-JTQLQIEISA-N -2 3 348.352 0.552 20 0 ECADHL Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000676333036 548825351 /nfs/dbraw/zinc/82/53/51/548825351.db2.gz JHSPGPZZACJIPK-MWLCHTKSSA-N -2 3 347.375 0.193 20 0 ECADHL Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000681568044 549274221 /nfs/dbraw/zinc/27/42/21/549274221.db2.gz RCGJLBLGYPELOZ-LLVKDONJSA-N -2 3 331.300 0.803 20 0 ECADHL CC[C@@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000681570797 549274640 /nfs/dbraw/zinc/27/46/40/549274640.db2.gz OGAYGWRPPYUJAN-VIFPVBQESA-N -2 3 335.403 0.479 20 0 ECADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c1 ZINC000682527341 549411101 /nfs/dbraw/zinc/41/11/01/549411101.db2.gz LUXUSNDRNCLQRU-UHFFFAOYSA-N -2 3 339.416 0.159 20 0 ECADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737180453 578484053 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C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1(CC(=O)[O-])CC1 ZINC000570521295 322690485 /nfs/dbraw/zinc/69/04/85/322690485.db2.gz NKTHUXADQUGCKL-QMMMGPOBSA-N -2 3 332.403 0.538 20 0 ECADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1cnn(C)c1C ZINC000572637240 322748454 /nfs/dbraw/zinc/74/84/54/322748454.db2.gz XIZJVKLDVLKXIR-UHFFFAOYSA-N -2 3 345.402 0.975 20 0 ECADHL COC(=O)c1ncccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000574142073 322773830 /nfs/dbraw/zinc/77/38/30/322773830.db2.gz YFPBLHAEXOTIOT-UHFFFAOYSA-N -2 3 328.346 0.544 20 0 ECADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCC1 ZINC000576368288 322806309 /nfs/dbraw/zinc/80/63/09/322806309.db2.gz QIBQRJAUOHWPER-UHFFFAOYSA-N -2 3 344.320 0.793 20 0 ECADHL C[C@]1(c2ccc(NC(=O)C3(C(=O)[O-])CCC3)cc2)NC(=O)[N-]C1=O ZINC000577637397 322841897 /nfs/dbraw/zinc/84/18/97/322841897.db2.gz UDXSSBAZXSTTHG-OAHLLOKOSA-N -2 3 331.328 0.935 20 0 ECADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)cc1F ZINC000579186643 322888630 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CC(C)[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000735921402 578400204 /nfs/dbraw/zinc/40/02/04/578400204.db2.gz RVNZJHYRNAUWSK-JTQLQIEISA-N -2 3 325.350 0.254 20 0 ECADHL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736237206 578417427 /nfs/dbraw/zinc/41/74/27/578417427.db2.gz VEGWPFXLNIMJBO-HZGVNTEJSA-N -2 3 341.780 0.981 20 0 ECADHL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736237206 578417428 /nfs/dbraw/zinc/41/74/28/578417428.db2.gz VEGWPFXLNIMJBO-HZGVNTEJSA-N -2 3 341.780 0.981 20 0 ECADHL CC(C)(CC(=O)[O-])NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000736311867 578422725 /nfs/dbraw/zinc/42/27/25/578422725.db2.gz HQZWGOPXXPNLII-UHFFFAOYSA-N -2 3 348.153 0.081 20 0 ECADHL CC(C)[C@@H]([N-]S(C)(=O)=O)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736389194 578426833 /nfs/dbraw/zinc/42/68/33/578426833.db2.gz FXHHJNLIPHUFMM-CYBMUJFWSA-N -2 3 340.401 0.848 20 0 ECADHL C[C@]1(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000736738493 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O=C(CCCC(=O)C1CC1)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838913049 586828694 /nfs/dbraw/zinc/82/86/94/586828694.db2.gz NETRONUSUSLPTN-UHFFFAOYSA-N -2 3 336.373 0.912 20 0 ECADHL C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838915229 586829106 /nfs/dbraw/zinc/82/91/06/586829106.db2.gz VBGXLYTXRUUPRM-IUCAKERBSA-N -2 3 336.373 0.768 20 0 ECADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)c1C ZINC000838918599 586829361 /nfs/dbraw/zinc/82/93/61/586829361.db2.gz XMFRCUWLYBWZTH-UHFFFAOYSA-N -2 3 348.388 0.910 20 0 ECADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c1 ZINC000907062628 587010895 /nfs/dbraw/zinc/01/08/95/587010895.db2.gz MERDGHFQNBRELH-SNVBAGLBSA-N -2 3 346.380 0.441 20 0 ECADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC(=O)[O-])C1CC1 ZINC000820534195 587540084 /nfs/dbraw/zinc/54/00/84/587540084.db2.gz JWXLMVKGUMVDTP-VIFPVBQESA-N -2 3 331.332 0.710 20 0 ECADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC(=O)[O-])C1CC1 ZINC000820534195 587540086 /nfs/dbraw/zinc/54/00/86/587540086.db2.gz JWXLMVKGUMVDTP-VIFPVBQESA-N -2 3 331.332 0.710 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCCCC(=O)[O-])s1 ZINC000820646081 587547399 /nfs/dbraw/zinc/54/73/99/587547399.db2.gz VBTITSPZLLSRCO-UHFFFAOYSA-N -2 3 349.434 0.710 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)c1ccc2c(c1)OCO2 ZINC000821589852 587602898 /nfs/dbraw/zinc/60/28/98/587602898.db2.gz DOEPSEAEMQANMR-UHFFFAOYSA-N -2 3 346.324 0.805 20 0 ECADHL COCCN1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])CC1=O ZINC000821690436 587622693 /nfs/dbraw/zinc/62/26/93/587622693.db2.gz LOZYUCMRJKZAJI-JTQLQIEISA-N -2 3 346.347 0.006 20 0 ECADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1F ZINC000822267238 587650615 /nfs/dbraw/zinc/65/06/15/587650615.db2.gz PKVJQKRCWRHRLT-UHFFFAOYSA-N -2 3 337.340 0.849 20 0 ECADHL O=S(=O)([N-][C@H]1CCSC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823573053 587731103 /nfs/dbraw/zinc/73/11/03/587731103.db2.gz REJMSXMPXZJAPX-ZETCQYMHSA-N -2 3 347.372 0.929 20 0 ECADHL O=S(=O)([N-][C@H]1CCSC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573053 587731104 /nfs/dbraw/zinc/73/11/04/587731104.db2.gz REJMSXMPXZJAPX-ZETCQYMHSA-N -2 3 347.372 0.929 20 0 ECADHL CC(C)(CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)NC(=O)[O-] ZINC000824001603 587847834 /nfs/dbraw/zinc/84/78/34/587847834.db2.gz JJRQETNEQWFNNE-INIZCTEOSA-N -2 3 348.359 0.517 20 0 ECADHL C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])N1CCN(C)CC1 ZINC000824045012 587850674 /nfs/dbraw/zinc/85/06/74/587850674.db2.gz DCGKDCRQEFSCKC-JTQLQIEISA-N -2 3 331.380 0.147 20 0 ECADHL C/C(=C\COC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000825758571 587959374 /nfs/dbraw/zinc/95/93/74/587959374.db2.gz LTBNLPPVARPAEL-WEVVVXLNSA-N -2 3 333.387 0.991 20 0 ECADHL CC(=O)N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000825833523 587964487 /nfs/dbraw/zinc/96/44/87/587964487.db2.gz CGYXJRNHNUDNTJ-UHFFFAOYSA-N -2 3 330.362 0.575 20 0 ECADHL COC[C@@](C)(CC(=O)[O-])NC(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826148594 587999112 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548714182 /nfs/dbraw/zinc/71/41/82/548714182.db2.gz RYRRXMGIKRCXFW-LLVKDONJSA-N -2 3 344.379 0.765 20 0 ECADHL O=C(NC[C@@H](CO)NC(=O)c1ccccc1[O-])c1ccccc1[O-] ZINC000680525070 549178600 /nfs/dbraw/zinc/17/86/00/549178600.db2.gz MOCWKTUXVBHDHH-NSHDSACASA-N -2 3 330.340 0.619 20 0 ECADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000682694773 549430076 /nfs/dbraw/zinc/43/00/76/549430076.db2.gz DMLSJIFCMMQNMI-UHFFFAOYSA-N -2 3 345.271 0.492 20 0 ECADHL CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000684497808 549604017 /nfs/dbraw/zinc/60/40/17/549604017.db2.gz KOPXLFZKDSIULS-UHFFFAOYSA-N -2 3 348.363 0.148 20 0 ECADHL C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)NC(=O)c1ncccc1[O-] ZINC000684845279 549631054 /nfs/dbraw/zinc/63/10/54/549631054.db2.gz MILMRWUQFUAOBO-UWVGGRQHSA-N -2 3 330.344 0.825 20 0 ECADHL Cc1cc(F)c(S(=O)(=O)[N-]N=c2nccc[nH]2)cc1C(=O)[O-] ZINC000753771327 579405597 /nfs/dbraw/zinc/40/55/97/579405597.db2.gz OADIPIPAWJCEQR-UHFFFAOYSA-N -2 3 326.309 0.928 20 0 ECADHL Cc1ncc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)s1 ZINC000755900563 579440692 /nfs/dbraw/zinc/44/06/92/579440692.db2.gz ZICNVNCLWWCKED-UHFFFAOYSA-N -2 3 342.402 0.612 20 0 ECADHL O=C(Nc1nnn[n-]1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000735821272 578397121 /nfs/dbraw/zinc/39/71/21/578397121.db2.gz WAJDLNIPYDUJSA-UHFFFAOYSA-N -2 3 326.313 0.032 20 0 ECADHL CCOc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1ccnn1C ZINC000736633660 578443050 /nfs/dbraw/zinc/44/30/50/578443050.db2.gz FAMZYQMOEMSUEJ-UHFFFAOYSA-N -2 3 349.376 0.800 20 0 ECADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccnn1C ZINC000736633660 578443051 /nfs/dbraw/zinc/44/30/51/578443051.db2.gz FAMZYQMOEMSUEJ-UHFFFAOYSA-N -2 3 349.376 0.800 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC000737225791 578486200 /nfs/dbraw/zinc/48/62/00/578486200.db2.gz JGKJVAIFJFHUBA-UHFFFAOYSA-N -2 3 349.376 0.165 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC000737225791 578486201 /nfs/dbraw/zinc/48/62/01/578486201.db2.gz JGKJVAIFJFHUBA-UHFFFAOYSA-N -2 3 349.376 0.165 20 0 ECADHL CNC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCCC1 ZINC000737535022 578504614 /nfs/dbraw/zinc/50/46/14/578504614.db2.gz IHNZBUXBRUVWJN-UHFFFAOYSA-N -2 3 332.403 0.783 20 0 ECADHL CNC(=O)C1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000737537772 578504955 /nfs/dbraw/zinc/50/49/55/578504955.db2.gz ISDWOTRHDNUEBC-UHFFFAOYSA-N -2 3 330.362 0.561 20 0 ECADHL CNC(=O)c1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cn1 ZINC000737544955 578505591 /nfs/dbraw/zinc/50/55/91/578505591.db2.gz UCFZSNJPDRCCAT-UHFFFAOYSA-N -2 3 349.372 0.952 20 0 ECADHL C[C@@H](OC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000737707205 578518633 /nfs/dbraw/zinc/51/86/33/578518633.db2.gz VOTGVXYZMWBRAV-SSDOTTSWSA-N -2 3 337.300 0.650 20 0 ECADHL Nc1nc2nc(CSc3ccccc3-c3nnn[n-]3)cc(=O)n2[n-]1 ZINC000737775993 578526835 /nfs/dbraw/zinc/52/68/35/578526835.db2.gz GAPZBFYRWVJIGC-UHFFFAOYSA-N -2 3 341.360 0.472 20 0 ECADHL Nc1nc2nc(CSc3ccccc3-c3nn[n-]n3)cc(=O)n2[n-]1 ZINC000737775993 578526836 /nfs/dbraw/zinc/52/68/36/578526836.db2.gz GAPZBFYRWVJIGC-UHFFFAOYSA-N -2 3 341.360 0.472 20 0 ECADHL COC(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)[n-]1 ZINC000796370669 578624739 /nfs/dbraw/zinc/62/47/39/578624739.db2.gz ZJBFAIRHIAAGOA-UHFFFAOYSA-N -2 3 330.296 0.915 20 0 ECADHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000788449025 578837683 /nfs/dbraw/zinc/83/76/83/578837683.db2.gz YJSAKAUVSFUIPA-UPHRSURJSA-N -2 3 332.721 0.694 20 0 ECADHL O=C(Cn1cc(Br)c(=O)[n-]c1=O)[N-]OCC(F)(F)F ZINC000766775567 579092729 /nfs/dbraw/zinc/09/27/29/579092729.db2.gz YCNZKTVFAOGMCX-UHFFFAOYSA-N -2 3 346.059 0.322 20 0 ECADHL Cn1cc([C@H]([N-]S(=O)(=O)c2cccc3nonc32)C(=O)[O-])cn1 ZINC000776495247 579282362 /nfs/dbraw/zinc/28/23/62/579282362.db2.gz CCEMXPRJEOZKGK-JTQLQIEISA-N -2 3 337.317 0.061 20 0 ECADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776537844 579283218 /nfs/dbraw/zinc/28/32/18/579283218.db2.gz JZRXRZITGMKGNN-MNOVXSKESA-N -2 3 343.405 0.378 20 0 ECADHL O=c1cc(CSc2cnccn2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC000738397106 579627170 /nfs/dbraw/zinc/62/71/70/579627170.db2.gz NKSBOMWHAXTATN-UHFFFAOYSA-N -2 3 327.333 0.697 20 0 ECADHL O=c1cc(CSc2cnccn2)nc2c(-c3nn[n-]n3)c[n-]n21 ZINC000738397106 579627171 /nfs/dbraw/zinc/62/71/71/579627171.db2.gz NKSBOMWHAXTATN-UHFFFAOYSA-N -2 3 327.333 0.697 20 0 ECADHL CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000738796608 579649844 /nfs/dbraw/zinc/64/98/44/579649844.db2.gz GHWJTJZDUXXQRD-NEPJUHHUSA-N -2 3 349.343 0.635 20 0 ECADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)Cc1cccc(F)c1 ZINC000739501452 579691598 /nfs/dbraw/zinc/69/15/98/579691598.db2.gz IVJACFWEIAMIMU-JTQLQIEISA-N -2 3 327.337 0.771 20 0 ECADHL CN(CCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-] ZINC000739692110 579704202 /nfs/dbraw/zinc/70/42/02/579704202.db2.gz NEUARIKQYNFBKB-UHFFFAOYSA-N -2 3 334.332 0.218 20 0 ECADHL CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])cc1 ZINC000739999537 579726618 /nfs/dbraw/zinc/72/66/18/579726618.db2.gz CRRNVEFGUQBFRJ-GFCCVEGCSA-N -2 3 341.389 0.930 20 0 ECADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740002736 579726851 /nfs/dbraw/zinc/72/68/51/579726851.db2.gz SZZJHLOVEDQNRD-LLVKDONJSA-N -2 3 327.362 0.540 20 0 ECADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CNC(=O)[O-])C1CC1 ZINC000740247127 579734127 /nfs/dbraw/zinc/73/41/27/579734127.db2.gz VLPGQZPIIDITKF-MRVPVSSYSA-N -2 3 336.801 0.706 20 0 ECADHL Cc1noc([N-]C(=O)c2nnn(C3CCN(C(=O)[O-])CC3)c2C)n1 ZINC000740264619 579734893 /nfs/dbraw/zinc/73/48/93/579734893.db2.gz VGJRCVWKJNRGRJ-UHFFFAOYSA-N -2 3 335.324 0.845 20 0 ECADHL O=C([O-])N(CC(=O)Nc1nc(C(F)(F)F)n[n-]1)C[C@@H]1CCCO1 ZINC000740369054 579742485 /nfs/dbraw/zinc/74/24/85/579742485.db2.gz OFUVPGIJZIKASZ-LURJTMIESA-N -2 3 337.258 0.921 20 0 ECADHL O=C([O-])N(CC(=O)Nc1nnc(C(F)(F)F)[n-]1)C[C@@H]1CCCO1 ZINC000740369054 579742487 /nfs/dbraw/zinc/74/24/87/579742487.db2.gz OFUVPGIJZIKASZ-LURJTMIESA-N -2 3 337.258 0.921 20 0 ECADHL O=C([O-])N1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000740415307 579746209 /nfs/dbraw/zinc/74/62/09/579746209.db2.gz JSXOQDQHFIXZFF-VIFPVBQESA-N -2 3 332.316 0.834 20 0 ECADHL O=C([O-])NCCCC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000834232781 588891061 /nfs/dbraw/zinc/89/10/61/588891061.db2.gz YCYHCVAYOSUYAN-NSHDSACASA-N -2 3 334.332 0.423 20 0 ECADHL O=C([O-])NCc1nc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cs1 ZINC000834249333 588892215 /nfs/dbraw/zinc/89/22/15/588892215.db2.gz PPKMOOPGJBOFDU-UHFFFAOYSA-N -2 3 335.345 0.605 20 0 ECADHL O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000834289383 588893814 /nfs/dbraw/zinc/89/38/14/588893814.db2.gz LUECKBXMQONRJU-GARJFASQSA-N -2 3 338.364 0.108 20 0 ECADHL O=C([O-])N1CC[C@@H](C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000834291388 588893919 /nfs/dbraw/zinc/89/39/19/588893919.db2.gz YLNUZRWYZYWYDA-PWSUYJOCSA-N -2 3 346.343 0.376 20 0 ECADHL COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000840892172 586286143 /nfs/dbraw/zinc/28/61/43/586286143.db2.gz WRCOXPLOVWLOKD-ZDUSSCGKSA-N -2 3 335.353 0.590 20 0 ECADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739106 586446931 /nfs/dbraw/zinc/44/69/31/586446931.db2.gz IFZNVGBRWRCTID-BDAKNGLRSA-N -2 3 336.314 0.318 20 0 ECADHL CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838912104 586828779 /nfs/dbraw/zinc/82/87/79/586828779.db2.gz CKQFCQLPKLZQEK-GXFFZTMASA-N -2 3 338.389 0.968 20 0 ECADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838917875 586829122 /nfs/dbraw/zinc/82/91/22/586829122.db2.gz SUAWYXUOWSETOY-SECBINFHSA-N -2 3 342.377 0.204 20 0 ECADHL CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000907061443 587010871 /nfs/dbraw/zinc/01/08/71/587010871.db2.gz CGOPVOSXWAKAKC-VIFPVBQESA-N -2 3 332.353 0.133 20 0 ECADHL CN1CCOC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000907063210 587011038 /nfs/dbraw/zinc/01/10/38/587011038.db2.gz SBNAMDLYWXUSNX-SNVBAGLBSA-N -2 3 332.353 0.133 20 0 ECADHL O=C(c1cc2n[n-]nc2cc1F)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000843878689 589082581 /nfs/dbraw/zinc/08/25/81/589082581.db2.gz PTTPUUZLCOASOP-ZETCQYMHSA-N -2 3 331.311 0.941 20 0 ECADHL CCOC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000812448888 587237484 /nfs/dbraw/zinc/23/74/84/587237484.db2.gz FSJLEHPPKPWSHQ-SSDOTTSWSA-N -2 3 325.774 0.150 20 0 ECADHL CC(C)OCCO[N-]C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000812803983 587243239 /nfs/dbraw/zinc/24/32/39/587243239.db2.gz DPXXEZBYMQUWAE-UHFFFAOYSA-N -2 3 347.371 0.731 20 0 ECADHL O=C([O-])c1cn([C@@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)nn1 ZINC000818317734 587422458 /nfs/dbraw/zinc/42/24/58/587422458.db2.gz OSEQFLNMPTXRPJ-SECBINFHSA-N -2 3 327.304 0.335 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NCCC(C)(C)C(=O)[O-])ccc1F ZINC000818324978 587423104 /nfs/dbraw/zinc/42/31/04/587423104.db2.gz SOOLWJUFZSJDBG-UHFFFAOYSA-N -2 3 346.380 0.965 20 0 ECADHL CC(C)CN(CC(=O)[O-])C(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000820081558 587507592 /nfs/dbraw/zinc/50/75/92/587507592.db2.gz LFBGDOQTZCMTGW-UHFFFAOYSA-N -2 3 333.348 0.815 20 0 ECADHL CC(C)CN(CC(=O)[O-])C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820081558 587507593 /nfs/dbraw/zinc/50/75/93/587507593.db2.gz LFBGDOQTZCMTGW-UHFFFAOYSA-N -2 3 333.348 0.815 20 0 ECADHL CC(C)[C@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000820183985 587515472 /nfs/dbraw/zinc/51/54/72/587515472.db2.gz RARSIRZWAXNIQG-NSHDSACASA-N -2 3 339.377 0.395 20 0 ECADHL CC(C)[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000820183985 587515473 /nfs/dbraw/zinc/51/54/73/587515473.db2.gz RARSIRZWAXNIQG-NSHDSACASA-N -2 3 339.377 0.395 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000820533613 587540013 /nfs/dbraw/zinc/54/00/13/587540013.db2.gz GTWCXWABCHOQMW-SNVBAGLBSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000820533613 587540015 /nfs/dbraw/zinc/54/00/15/587540015.db2.gz GTWCXWABCHOQMW-SNVBAGLBSA-N -2 3 345.359 0.957 20 0 ECADHL C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820650400 587547422 /nfs/dbraw/zinc/54/74/22/587547422.db2.gz URFNYWNHBQGCAV-DTORHVGOSA-N -2 3 340.413 0.235 20 0 ECADHL C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820650400 587547424 /nfs/dbraw/zinc/54/74/24/587547424.db2.gz URFNYWNHBQGCAV-DTORHVGOSA-N -2 3 340.413 0.235 20 0 ECADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821016468 587569767 /nfs/dbraw/zinc/56/97/67/587569767.db2.gz WYEHILWRCLXDCD-SECBINFHSA-N -2 3 340.409 0.701 20 0 ECADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821016468 587569769 /nfs/dbraw/zinc/56/97/69/587569769.db2.gz WYEHILWRCLXDCD-SECBINFHSA-N -2 3 340.409 0.701 20 0 ECADHL CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2nnn[n-]2)n1 ZINC000821342335 587586701 /nfs/dbraw/zinc/58/67/01/587586701.db2.gz BGTGRIYIKCHVSQ-UHFFFAOYSA-N -2 3 333.337 0.244 20 0 ECADHL CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2nn[n-]n2)n1 ZINC000821342335 587586703 /nfs/dbraw/zinc/58/67/03/587586703.db2.gz BGTGRIYIKCHVSQ-UHFFFAOYSA-N -2 3 333.337 0.244 20 0 ECADHL CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2nnn[n-]2)n1 ZINC000821342335 587586704 /nfs/dbraw/zinc/58/67/04/587586704.db2.gz BGTGRIYIKCHVSQ-UHFFFAOYSA-N -2 3 333.337 0.244 20 0 ECADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)[nH]n1 ZINC000821589050 587602786 /nfs/dbraw/zinc/60/27/86/587602786.db2.gz VFLMDFHNXQTKET-UHFFFAOYSA-N -2 3 334.361 0.923 20 0 ECADHL COCCC1(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CCC1 ZINC000821590407 587602903 /nfs/dbraw/zinc/60/29/03/587602903.db2.gz SVFTZLMUHRFSLM-UHFFFAOYSA-N -2 3 338.389 0.970 20 0 ECADHL COCCCC[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821686987 587621763 /nfs/dbraw/zinc/62/17/63/587621763.db2.gz IPHLYSDNSIQTFK-UHFFFAOYSA-N -2 3 347.347 0.850 20 0 ECADHL COCCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821686987 587621765 /nfs/dbraw/zinc/62/17/65/587621765.db2.gz IPHLYSDNSIQTFK-UHFFFAOYSA-N -2 3 347.347 0.850 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000821700548 587625134 /nfs/dbraw/zinc/62/51/34/587625134.db2.gz RLDPQSMBMBDZSZ-CYBMUJFWSA-N -2 3 347.331 0.234 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000821700548 587625135 /nfs/dbraw/zinc/62/51/35/587625135.db2.gz RLDPQSMBMBDZSZ-CYBMUJFWSA-N -2 3 347.331 0.234 20 0 ECADHL COc1ccc(NC(=O)C(=O)Nc2n[n-]cc2-c2nn[n-]n2)cc1 ZINC000821831609 587632794 /nfs/dbraw/zinc/63/27/94/587632794.db2.gz FZHQMNMBCZHOEY-UHFFFAOYSA-N -2 3 328.292 0.176 20 0 ECADHL O=C(CNC(=O)c1ccccn1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823005377 587695860 /nfs/dbraw/zinc/69/58/60/587695860.db2.gz OKOKZTCCMXHCSX-UHFFFAOYSA-N -2 3 339.315 0.336 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCCO1 ZINC000823284086 587714211 /nfs/dbraw/zinc/71/42/11/587714211.db2.gz CFBVVFNOKULLGO-LLVKDONJSA-N -2 3 337.361 0.241 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCCO1 ZINC000823284086 587714213 /nfs/dbraw/zinc/71/42/13/587714213.db2.gz CFBVVFNOKULLGO-LLVKDONJSA-N -2 3 337.361 0.241 20 0 ECADHL O=C([N-]S(=O)(=O)CC(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000823284463 587714266 /nfs/dbraw/zinc/71/42/66/587714266.db2.gz HOHICKIQBVGBQB-UHFFFAOYSA-N -2 3 341.296 0.550 20 0 ECADHL O=C([N-]S(=O)(=O)CC(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000823284463 587714267 /nfs/dbraw/zinc/71/42/67/587714267.db2.gz HOHICKIQBVGBQB-UHFFFAOYSA-N -2 3 341.296 0.550 20 0 ECADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824385587 587871716 /nfs/dbraw/zinc/87/17/16/587871716.db2.gz XCRIJMDLARMONY-ZCFIWIBFSA-N -2 3 345.768 0.662 20 0 ECADHL C[C@](NC(=O)COc1ccc(-c2nnn[n-]2)cc1)(C(=O)[O-])C1CC1 ZINC000824477678 587876596 /nfs/dbraw/zinc/87/65/96/587876596.db2.gz CDNDYOOOEZGWEH-OAHLLOKOSA-N -2 3 331.332 0.615 20 0 ECADHL C[C@](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)(C(=O)[O-])C1CC1 ZINC000824477678 587876598 /nfs/dbraw/zinc/87/65/98/587876598.db2.gz CDNDYOOOEZGWEH-OAHLLOKOSA-N -2 3 331.332 0.615 20 0 ECADHL C[C@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)C(C)(C)NC(=O)[O-] ZINC000824543648 587879629 /nfs/dbraw/zinc/87/96/29/587879629.db2.gz KBRPKVMDLBMWGR-SECBINFHSA-N -2 3 338.364 0.804 20 0 ECADHL C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000824731865 587890669 /nfs/dbraw/zinc/89/06/69/587890669.db2.gz ZKYDGCUSVDPEPU-KOLCDFICSA-N -2 3 331.332 0.567 20 0 ECADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000824731865 587890671 /nfs/dbraw/zinc/89/06/71/587890671.db2.gz ZKYDGCUSVDPEPU-KOLCDFICSA-N -2 3 331.332 0.567 20 0 ECADHL CC[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825044028 587913709 /nfs/dbraw/zinc/91/37/09/587913709.db2.gz MHHSHXFBDZVBKS-LBPRGKRZSA-N -2 3 347.347 0.584 20 0 ECADHL CC[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825044028 587913711 /nfs/dbraw/zinc/91/37/11/587913711.db2.gz MHHSHXFBDZVBKS-LBPRGKRZSA-N -2 3 347.347 0.584 20 0 ECADHL C/C(=C/COC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000825758570 587959484 /nfs/dbraw/zinc/95/94/84/587959484.db2.gz LTBNLPPVARPAEL-UITAMQMPSA-N -2 3 333.387 0.991 20 0 ECADHL C[C@]1(c2cccc(C(=O)N3CCN(C(=O)[O-])CC3)c2)NC(=O)[N-]C1=O ZINC000825766485 587960293 /nfs/dbraw/zinc/96/02/93/587960293.db2.gz QRGCOMBNSNWATI-MRXNPFEDSA-N -2 3 346.343 0.177 20 0 ECADHL C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000825810967 587962867 /nfs/dbraw/zinc/96/28/67/587962867.db2.gz YXCFCZLHPQSGBH-PWSUYJOCSA-N -2 3 335.360 0.769 20 0 ECADHL CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825883172 587968880 /nfs/dbraw/zinc/96/88/80/587968880.db2.gz CRDPIPHYODMFLS-UHFFFAOYSA-N -2 3 346.376 0.524 20 0 ECADHL CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825883172 587968882 /nfs/dbraw/zinc/96/88/82/587968882.db2.gz CRDPIPHYODMFLS-UHFFFAOYSA-N -2 3 346.376 0.524 20 0 ECADHL C[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCN1C(=O)[O-] ZINC000826014692 587980958 /nfs/dbraw/zinc/98/09/58/587980958.db2.gz LSRKSWZCHKPIJY-QMMMGPOBSA-N -2 3 332.316 0.786 20 0 ECADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000826089192 587990280 /nfs/dbraw/zinc/99/02/80/587990280.db2.gz JXEVLILWLDQGNH-AAEUAGOBSA-N -2 3 347.371 0.943 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000826174370 588005462 /nfs/dbraw/zinc/00/54/62/588005462.db2.gz UGUPEYXNINWUHE-SNVBAGLBSA-N -2 3 347.331 0.187 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000826174370 588005464 /nfs/dbraw/zinc/00/54/64/588005464.db2.gz UGUPEYXNINWUHE-SNVBAGLBSA-N -2 3 347.331 0.187 20 0 ECADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826211652 588010825 /nfs/dbraw/zinc/01/08/25/588010825.db2.gz OGMFRRMAGWDZPR-UHFFFAOYSA-N -2 3 348.344 0.322 20 0 ECADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826211652 588010827 /nfs/dbraw/zinc/01/08/27/588010827.db2.gz OGMFRRMAGWDZPR-UHFFFAOYSA-N -2 3 348.344 0.322 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000826249520 588016195 /nfs/dbraw/zinc/01/61/95/588016195.db2.gz GUOKBUDBUAUSQH-UHFFFAOYSA-N -2 3 349.294 0.797 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000826249520 588016196 /nfs/dbraw/zinc/01/61/96/588016196.db2.gz GUOKBUDBUAUSQH-UHFFFAOYSA-N -2 3 349.294 0.797 20 0 ECADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000826256142 588017518 /nfs/dbraw/zinc/01/75/18/588017518.db2.gz WQHCBZVNLCRFCU-LLVKDONJSA-N -2 3 339.377 0.563 20 0 ECADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000826256142 588017520 /nfs/dbraw/zinc/01/75/20/588017520.db2.gz WQHCBZVNLCRFCU-LLVKDONJSA-N -2 3 339.377 0.563 20 0 ECADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000826279199 588019305 /nfs/dbraw/zinc/01/93/05/588019305.db2.gz IPAXLUFNNUALFR-JTQLQIEISA-N -2 3 337.361 0.413 20 0 ECADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000826279199 588019307 /nfs/dbraw/zinc/01/93/07/588019307.db2.gz IPAXLUFNNUALFR-JTQLQIEISA-N -2 3 337.361 0.413 20 0 ECADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000826450080 588052549 /nfs/dbraw/zinc/05/25/49/588052549.db2.gz WLNBOMJISRZOMC-NSHDSACASA-N -2 3 337.361 0.105 20 0 ECADHL O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000826450080 588052551 /nfs/dbraw/zinc/05/25/51/588052551.db2.gz WLNBOMJISRZOMC-NSHDSACASA-N -2 3 337.361 0.105 20 0 ECADHL O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1sccc1-c1nnn[n-]1 ZINC000826449791 588052934 /nfs/dbraw/zinc/05/29/34/588052934.db2.gz KBJPJUKULCRPFK-SSDOTTSWSA-N -2 3 343.390 0.167 20 0 ECADHL O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1sccc1-c1nn[n-]n1 ZINC000826449791 588052938 /nfs/dbraw/zinc/05/29/38/588052938.db2.gz KBJPJUKULCRPFK-SSDOTTSWSA-N -2 3 343.390 0.167 20 0 ECADHL O=c1[n-]c(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n[nH]1 ZINC000826502103 588064502 /nfs/dbraw/zinc/06/45/02/588064502.db2.gz USSLVCMDKCITGZ-NSHDSACASA-N -2 3 328.336 0.264 20 0 ECADHL O=c1[n-]c(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n[nH]1 ZINC000826502103 588064503 /nfs/dbraw/zinc/06/45/03/588064503.db2.gz USSLVCMDKCITGZ-NSHDSACASA-N -2 3 328.336 0.264 20 0 ECADHL CCCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)C1CCN(C(=O)[O-])CC1 ZINC000826880140 588087952 /nfs/dbraw/zinc/08/79/52/588087952.db2.gz UUMSHPMASGMHOR-UHFFFAOYSA-N -2 3 339.352 0.465 20 0 ECADHL C[C@@H](CC(=O)[O-])C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000827310083 588111572 /nfs/dbraw/zinc/11/15/72/588111572.db2.gz FWQNLIADHJXQFL-VIFPVBQESA-N -2 3 342.373 0.981 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)NCCCN(C)C(=O)[O-])c(C)o1 ZINC000828579912 588191215 /nfs/dbraw/zinc/19/12/15/588191215.db2.gz SFBJYEHAWITZPI-UHFFFAOYSA-N -2 3 333.366 0.226 20 0 ECADHL COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)CCCNC(=O)[O-] ZINC000828805114 588205182 /nfs/dbraw/zinc/20/51/82/588205182.db2.gz UONAZYKRPNIODJ-UHFFFAOYSA-N -2 3 343.361 0.589 20 0 ECADHL CCC(CC)([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)OC ZINC000828849225 588206487 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/nfs/dbraw/zinc/75/75/63/579757563.db2.gz YVJIPQIKTQZOOQ-LLVKDONJSA-N -2 3 335.316 0.390 20 0 ECADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)Cc1ccccn1 ZINC000837288776 588947768 /nfs/dbraw/zinc/94/77/68/588947768.db2.gz QHUOPVOAZSQBAW-MRVPVSSYSA-N -2 3 344.780 0.680 20 0 ECADHL CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C ZINC000841774709 589000391 /nfs/dbraw/zinc/00/03/91/589000391.db2.gz OYETZVBKMMGFJK-VXNVDRBHSA-N -2 3 349.327 0.899 20 0 ECADHL COCc1nc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc(=O)[n-]1 ZINC000895040955 586426059 /nfs/dbraw/zinc/42/60/59/586426059.db2.gz XHPOLLXVONDINB-GFCCVEGCSA-N -2 3 334.298 0.976 20 0 ECADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCN(C3CC3)CC2)c1 ZINC000906832762 586985962 /nfs/dbraw/zinc/98/59/62/586985962.db2.gz BPGKOUVXRWRNEV-UHFFFAOYSA-N -2 3 340.401 0.868 20 0 ECADHL O=C(Cn1cc(Br)c(=O)[n-]c1=O)[N-]OC/C=C/Cl ZINC000812399131 587237035 /nfs/dbraw/zinc/23/70/35/587237035.db2.gz IOOSQTQTIDJCDA-OWOJBTEDSA-N -2 3 338.545 0.512 20 0 ECADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n[nH]1 ZINC000820187462 587515965 /nfs/dbraw/zinc/51/59/65/587515965.db2.gz CBRRWZQKEMLEIO-UHFFFAOYSA-N -2 3 334.365 0.909 20 0 ECADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[nH]n1 ZINC000820187462 587515968 /nfs/dbraw/zinc/51/59/68/587515968.db2.gz CBRRWZQKEMLEIO-UHFFFAOYSA-N -2 3 334.365 0.909 20 0 ECADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[nH]n1 ZINC000820187462 587515971 /nfs/dbraw/zinc/51/59/71/587515971.db2.gz CBRRWZQKEMLEIO-UHFFFAOYSA-N -2 3 334.365 0.909 20 0 ECADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n[nH]1 ZINC000820187462 587515973 /nfs/dbraw/zinc/51/59/73/587515973.db2.gz CBRRWZQKEMLEIO-UHFFFAOYSA-N -2 3 334.365 0.909 20 0 ECADHL C[C@@]1(C(=O)[O-])CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820577329 587542672 /nfs/dbraw/zinc/54/26/72/587542672.db2.gz OLUNECDRXYCXPG-OAHLLOKOSA-N -2 3 331.332 0.569 20 0 ECADHL C[C@@]1(C(=O)[O-])CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820577329 587542674 /nfs/dbraw/zinc/54/26/74/587542674.db2.gz OLUNECDRXYCXPG-OAHLLOKOSA-N -2 3 331.332 0.569 20 0 ECADHL CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1n[nH]c(=O)[n-]1 ZINC000821123239 587574300 /nfs/dbraw/zinc/57/43/00/587574300.db2.gz NRFJWZJYDVCCOX-UHFFFAOYSA-N -2 3 329.324 0.765 20 0 ECADHL CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1n[nH]c(=O)[n-]1 ZINC000821123239 587574301 /nfs/dbraw/zinc/57/43/01/587574301.db2.gz NRFJWZJYDVCCOX-UHFFFAOYSA-N -2 3 329.324 0.765 20 0 ECADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)nn1C ZINC000821590504 587602752 /nfs/dbraw/zinc/60/27/52/587602752.db2.gz VURVAZWFVOWXDS-UHFFFAOYSA-N -2 3 348.388 0.934 20 0 ECADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)c1cc(C2CC2)n[nH]1 ZINC000821588947 587603067 /nfs/dbraw/zinc/60/30/67/587603067.db2.gz POKJODKZESPSLJ-UHFFFAOYSA-N -2 3 332.345 0.677 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@H](C)C(=O)[O-] ZINC000821700180 587625419 /nfs/dbraw/zinc/62/54/19/587625419.db2.gz GIRULUDMXQSRKW-QMMMGPOBSA-N -2 3 335.320 0.091 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H](C)C(=O)[O-] ZINC000821700180 587625420 /nfs/dbraw/zinc/62/54/20/587625420.db2.gz GIRULUDMXQSRKW-QMMMGPOBSA-N -2 3 335.320 0.091 20 0 ECADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCC(C)(C)C(=O)[O-] ZINC000821700122 587625477 /nfs/dbraw/zinc/62/54/77/587625477.db2.gz DJBAPYYGOFBXDF-UHFFFAOYSA-N -2 3 349.347 0.481 20 0 ECADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC(C)(C)C(=O)[O-] ZINC000821700122 587625478 /nfs/dbraw/zinc/62/54/78/587625478.db2.gz DJBAPYYGOFBXDF-UHFFFAOYSA-N -2 3 349.347 0.481 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821955746 587638261 /nfs/dbraw/zinc/63/82/61/587638261.db2.gz AMKOMDDWOVNKER-VOTSOKGWSA-N -2 3 339.402 0.689 20 0 ECADHL CSC=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821955746 587638263 /nfs/dbraw/zinc/63/82/63/587638263.db2.gz AMKOMDDWOVNKER-VOTSOKGWSA-N -2 3 339.402 0.689 20 0 ECADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000822645841 587672238 /nfs/dbraw/zinc/67/22/38/587672238.db2.gz RXMNSWAJPQGOSO-UHFFFAOYSA-N -2 3 332.345 0.324 20 0 ECADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000822645841 587672240 /nfs/dbraw/zinc/67/22/40/587672240.db2.gz RXMNSWAJPQGOSO-UHFFFAOYSA-N -2 3 332.345 0.324 20 0 ECADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000822645891 587672316 /nfs/dbraw/zinc/67/23/16/587672316.db2.gz VHPHZMGDRBFPIB-UHFFFAOYSA-N -2 3 338.374 0.385 20 0 ECADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000822645891 587672317 /nfs/dbraw/zinc/67/23/17/587672317.db2.gz VHPHZMGDRBFPIB-UHFFFAOYSA-N -2 3 338.374 0.385 20 0 ECADHL O=C([O-])CCCNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000823387267 587719226 /nfs/dbraw/zinc/71/92/26/587719226.db2.gz GZFFRNRVBGEBCR-UHFFFAOYSA-N -2 3 325.350 0.151 20 0 ECADHL O=C([O-])CCCNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000823387267 587719227 /nfs/dbraw/zinc/71/92/27/587719227.db2.gz GZFFRNRVBGEBCR-UHFFFAOYSA-N -2 3 325.350 0.151 20 0 ECADHL O=C([O-])Cn1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823387599 587719493 /nfs/dbraw/zinc/71/94/93/587719493.db2.gz QCFCUSOEVPPWHD-UHFFFAOYSA-N -2 3 343.303 0.165 20 0 ECADHL O=C([O-])Cn1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823387599 587719495 /nfs/dbraw/zinc/71/94/95/587719495.db2.gz QCFCUSOEVPPWHD-UHFFFAOYSA-N -2 3 343.303 0.165 20 0 ECADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000823759070 587742037 /nfs/dbraw/zinc/74/20/37/587742037.db2.gz FAUZGWFVQGQUGU-VHSXEESVSA-N -2 3 336.410 0.493 20 0 ECADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)O[C@H]1CCCN(C(=O)[O-])C1 ZINC000823760713 587742118 /nfs/dbraw/zinc/74/21/18/587742118.db2.gz VAVDDIJDEJFCRK-UWVGGRQHSA-N -2 3 336.410 0.636 20 0 ECADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CNC(=O)[O-])C2CC2)c1 ZINC000824323721 587868109 /nfs/dbraw/zinc/86/81/09/587868109.db2.gz KFJCPNACXGWUGN-LLVKDONJSA-N -2 3 330.410 0.864 20 0 ECADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824384472 587871383 /nfs/dbraw/zinc/87/13/83/587871383.db2.gz BYMIPLVSHZTFAJ-ZCFIWIBFSA-N -2 3 329.313 0.147 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000824419661 587873282 /nfs/dbraw/zinc/87/32/82/587873282.db2.gz BIXGWSGADHQZOF-VHSXEESVSA-N -2 3 333.348 0.861 20 0 ECADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000824419661 587873283 /nfs/dbraw/zinc/87/32/83/587873283.db2.gz BIXGWSGADHQZOF-VHSXEESVSA-N -2 3 333.348 0.861 20 0 ECADHL C[C@@H](CC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)NC(=O)[O-] ZINC000824684944 587886529 /nfs/dbraw/zinc/88/65/29/587886529.db2.gz GVWOKTPCRHVSEY-VXJOIVPMSA-N -2 3 334.332 0.726 20 0 ECADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000824745044 587892128 /nfs/dbraw/zinc/89/21/28/587892128.db2.gz LBZKAXIYFUHHKZ-VHSXEESVSA-N -2 3 331.332 0.567 20 0 ECADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000824745044 587892130 /nfs/dbraw/zinc/89/21/30/587892130.db2.gz LBZKAXIYFUHHKZ-VHSXEESVSA-N -2 3 331.332 0.567 20 0 ECADHL C[C@@H](CCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)NC(=O)[O-] ZINC000824802967 587894581 /nfs/dbraw/zinc/89/45/81/587894581.db2.gz PJWNMXZSNMPDNK-XXFAHNHDSA-N -2 3 348.359 0.517 20 0 ECADHL C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000824873583 587899795 /nfs/dbraw/zinc/89/97/95/587899795.db2.gz IEJMRNCSMLEHQD-XXFAHNHDSA-N -2 3 348.359 0.926 20 0 ECADHL C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000824875033 587899971 /nfs/dbraw/zinc/89/99/71/587899971.db2.gz YNUJTUARLQGQFN-XXFAHNHDSA-N -2 3 348.359 0.926 20 0 ECADHL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000825378189 587936539 /nfs/dbraw/zinc/93/65/39/587936539.db2.gz SMLRUCGLFOTFPR-SECBINFHSA-N -2 3 334.332 0.183 20 0 ECADHL CCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cn1 ZINC000825643384 587954231 /nfs/dbraw/zinc/95/42/31/587954231.db2.gz NLZQHISWLGIQLS-UHFFFAOYSA-N -2 3 336.337 0.184 20 0 ECADHL C[C@@]1(c2cccc(C(=O)N[C@H]3CCN(C(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000825772928 587960575 /nfs/dbraw/zinc/96/05/75/587960575.db2.gz SWLQAZOVMYWOHK-ZBEGNZNMSA-N -2 3 346.343 0.223 20 0 ECADHL COCCn1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c(C)n1 ZINC000826164088 588003565 /nfs/dbraw/zinc/00/35/65/588003565.db2.gz ZCTASBGHFJYAGK-UHFFFAOYSA-N -2 3 343.347 0.976 20 0 ECADHL Cc1cc(Cl)cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1[O-] ZINC000826267561 588017933 /nfs/dbraw/zinc/01/79/33/588017933.db2.gz KVMWWACWWZETJE-UHFFFAOYSA-N -2 3 334.727 0.764 20 0 ECADHL Cc1cc(Cl)cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1[O-] ZINC000826267561 588017935 /nfs/dbraw/zinc/01/79/35/588017935.db2.gz KVMWWACWWZETJE-UHFFFAOYSA-N -2 3 334.727 0.764 20 0 ECADHL Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC000826301912 588021873 /nfs/dbraw/zinc/02/18/73/588021873.db2.gz UJFSHMWLNIPNOW-VIFPVBQESA-N -2 3 337.361 0.413 20 0 ECADHL Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC000826301912 588021875 /nfs/dbraw/zinc/02/18/75/588021875.db2.gz UJFSHMWLNIPNOW-VIFPVBQESA-N -2 3 337.361 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O=C([O-])C[C@]1([N-]S(=O)(=O)C[C@H]2CCCC2(F)F)CCOC1 ZINC000569715390 322662715 /nfs/dbraw/zinc/66/27/15/322662715.db2.gz IMYHTAMSSRHEFB-MWLCHTKSSA-N -2 3 327.349 0.975 20 0 ECADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000570277066 322682103 /nfs/dbraw/zinc/68/21/03/322682103.db2.gz XCMQLAXFKWLPHK-YFKPBYRVSA-N -2 3 327.236 0.709 20 0 ECADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2COCCO2)c1 ZINC000571927425 322736381 /nfs/dbraw/zinc/73/63/81/322736381.db2.gz XITDOLKVISTECA-SECBINFHSA-N -2 3 333.337 0.526 20 0 ECADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)[C@H]1OC ZINC000574515838 322780573 /nfs/dbraw/zinc/78/05/73/322780573.db2.gz WXXZWOAGQWSKKP-CKYFFXLPSA-N -2 3 333.362 0.757 20 0 ECADHL C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000574954667 322788135 /nfs/dbraw/zinc/78/81/35/322788135.db2.gz WQPHLGPKGHKROY-SSDOTTSWSA-N -2 3 345.352 0.861 20 0 ECADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)S(C)(=O)=O ZINC000093523989 545727396 /nfs/dbraw/zinc/72/73/96/545727396.db2.gz BCJGNNKQKFTANG-UHFFFAOYSA-N -2 3 341.432 0.548 20 0 ECADHL CCn1nccc1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1 ZINC000471958382 546248864 /nfs/dbraw/zinc/24/88/64/546248864.db2.gz XWRJPXNWFHHDQI-UHFFFAOYSA-N -2 3 333.377 0.808 20 0 ECADHL CCn1nccc1S(=O)(=O)[N-]c1ccc(Cc2nn[n-]n2)cc1 ZINC000471958382 546248867 /nfs/dbraw/zinc/24/88/67/546248867.db2.gz XWRJPXNWFHHDQI-UHFFFAOYSA-N -2 3 333.377 0.808 20 0 ECADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]Cc2ncc[nH]2)c(F)c1 ZINC000677601038 548946603 /nfs/dbraw/zinc/94/66/03/548946603.db2.gz YJTGABJOFBSMAL-UHFFFAOYSA-N -2 3 348.381 0.399 20 0 ECADHL Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000681568045 549274095 /nfs/dbraw/zinc/27/40/95/549274095.db2.gz RCGJLBLGYPELOZ-NSHDSACASA-N -2 3 331.300 0.803 20 0 ECADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-] ZINC000681566175 549274140 /nfs/dbraw/zinc/27/41/40/549274140.db2.gz JMFMUVHRHPOMMF-QMMMGPOBSA-N -2 3 339.364 0.932 20 0 ECADHL C[C@]1(c2cccc(C(=O)N(CC(=O)[O-])CC3CC3)c2)NC(=O)[N-]C1=O ZINC000683306044 549474442 /nfs/dbraw/zinc/47/44/42/549474442.db2.gz ZDEIDZMHBYOFMT-QGZVFWFLSA-N -2 3 345.355 0.678 20 0 ECADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000683295061 549474535 /nfs/dbraw/zinc/47/45/35/549474535.db2.gz NJAHJDUQKGULPJ-VIFPVBQESA-N -2 3 349.434 0.673 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])CC2CC2)c(C)o1 ZINC000683306004 549474771 /nfs/dbraw/zinc/47/47/71/549474771.db2.gz XNRIXMDKLOIHDP-UHFFFAOYSA-N -2 3 330.362 0.433 20 0 ECADHL O=C([N-][C@@H]1CCOC1)C(F)(F)C(F)(F)C(=O)[N-][C@@H]1CCOC1 ZINC000752417851 579384878 /nfs/dbraw/zinc/38/48/78/579384878.db2.gz DDXPRGNJOQLTDX-HTQZYQBOSA-N -2 3 328.262 0.067 20 0 ECADHL Cn1nccc1S(=O)(=O)[N-]N=c1c(F)c(F)[n-]c(F)c1F ZINC000729663440 578297702 /nfs/dbraw/zinc/29/77/02/578297702.db2.gz ZLOXCQNQHVYYBB-UHFFFAOYSA-N -2 3 325.247 0.677 20 0 ECADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1nnn[n-]1 ZINC000735736375 578394916 /nfs/dbraw/zinc/39/49/16/578394916.db2.gz TZFSCTWOFSFEIC-LBPRGKRZSA-N -2 3 343.351 0.100 20 0 ECADHL CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000736383021 578426562 /nfs/dbraw/zinc/42/65/62/578426562.db2.gz SYVYIVXUJNBQHG-JTQLQIEISA-N -2 3 328.346 0.840 20 0 ECADHL Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1nnn[n-]1 ZINC000737549265 578506010 /nfs/dbraw/zinc/50/60/10/578506010.db2.gz UJSYXYGTTBIUMS-UHFFFAOYSA-N -2 3 326.280 0.324 20 0 ECADHL Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1nn[n-]n1 ZINC000737549265 578506011 /nfs/dbraw/zinc/50/60/11/578506011.db2.gz UJSYXYGTTBIUMS-UHFFFAOYSA-N -2 3 326.280 0.324 20 0 ECADHL Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1nnn[n-]1 ZINC000737549265 578506012 /nfs/dbraw/zinc/50/60/12/578506012.db2.gz UJSYXYGTTBIUMS-UHFFFAOYSA-N -2 3 326.280 0.324 20 0 ECADHL C[C@H](CC(=O)N[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000737663194 578514632 /nfs/dbraw/zinc/51/46/32/578514632.db2.gz CMDGFRDDCDUAIQ-SFYZADRCSA-N -2 3 349.796 0.381 20 0 ECADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C/C=C\C(=O)[O-])c1 ZINC000794764366 578599518 /nfs/dbraw/zinc/59/95/18/578599518.db2.gz UALKRLVWOBMDBG-ARJAWSKDSA-N -2 3 331.321 0.922 20 0 ECADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000794766393 578599542 /nfs/dbraw/zinc/59/95/42/578599542.db2.gz GQWKIYVSGZLWIO-JTQLQIEISA-N -2 3 345.421 0.766 20 0 ECADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc3nonc32)c[n-]1 ZINC000789739580 578858966 /nfs/dbraw/zinc/85/89/66/578858966.db2.gz KUECISJZBKBFQJ-UHFFFAOYSA-N -2 3 337.317 0.923 20 0 ECADHL Cn1[n-]c(COC(=O)c2cccc(Br)c2[O-])nc1=O ZINC000765473221 579067075 /nfs/dbraw/zinc/06/70/75/579067075.db2.gz JVYWBZBIZPCDLU-UHFFFAOYSA-N -2 3 328.122 0.934 20 0 ECADHL O=C([O-])C[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C1CC1 ZINC000767071521 579100239 /nfs/dbraw/zinc/10/02/39/579100239.db2.gz CRISMSUFXRINQO-CYBMUJFWSA-N -2 3 345.355 0.862 20 0 ECADHL COCCN(CC(=O)[O-])CC(=O)N=c1cc(C(C)(C)C)[n-]n1C ZINC000769751602 579150982 /nfs/dbraw/zinc/15/09/82/579150982.db2.gz MOJPLNKGSILONH-UHFFFAOYSA-N -2 3 326.397 0.111 20 0 ECADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCOCC2)c1 ZINC000776523819 579282862 /nfs/dbraw/zinc/28/28/62/579282862.db2.gz FGYTYIWZCNYCQB-ZDUSSCGKSA-N -2 3 345.421 0.697 20 0 ECADHL O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000776604085 579286130 /nfs/dbraw/zinc/28/61/30/579286130.db2.gz YKLZKJAOGSSISK-GFCCVEGCSA-N -2 3 332.353 0.769 20 0 ECADHL Cc1cc(CS(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)c2ccccc2)on1 ZINC000776606221 579286213 /nfs/dbraw/zinc/28/62/13/579286213.db2.gz ZWOLYVCNIQTWGM-CHWSQXEVSA-N -2 3 340.357 0.589 20 0 ECADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)c(F)cc1F ZINC000761248155 579525650 /nfs/dbraw/zinc/52/56/50/579525650.db2.gz CFZWHKOIORCTTI-SNVBAGLBSA-N -2 3 348.327 0.610 20 0 ECADHL CC(C)OC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761263752 579525709 /nfs/dbraw/zinc/52/57/09/579525709.db2.gz LVVJCLBTQVEJHF-UHFFFAOYSA-N -2 3 337.300 0.893 20 0 ECADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000737960874 579588413 /nfs/dbraw/zinc/58/84/13/579588413.db2.gz IRWZHCPMFWPGJQ-UHFFFAOYSA-N -2 3 344.356 0.309 20 0 ECADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000737960874 579588414 /nfs/dbraw/zinc/58/84/14/579588414.db2.gz IRWZHCPMFWPGJQ-UHFFFAOYSA-N -2 3 344.356 0.309 20 0 ECADHL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738000026 579592752 /nfs/dbraw/zinc/59/27/52/579592752.db2.gz DUAAQCLNVPCGIA-GFCCVEGCSA-N -2 3 348.330 0.294 20 0 ECADHL O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738000026 579592753 /nfs/dbraw/zinc/59/27/53/579592753.db2.gz DUAAQCLNVPCGIA-GFCCVEGCSA-N -2 3 348.330 0.294 20 0 ECADHL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738000026 579592754 /nfs/dbraw/zinc/59/27/54/579592754.db2.gz DUAAQCLNVPCGIA-GFCCVEGCSA-N -2 3 348.330 0.294 20 0 ECADHL O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738000026 579592755 /nfs/dbraw/zinc/59/27/55/579592755.db2.gz DUAAQCLNVPCGIA-GFCCVEGCSA-N -2 3 348.330 0.294 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cocn1 ZINC000738139760 579607339 /nfs/dbraw/zinc/60/73/39/579607339.db2.gz PACVICPAABAIBL-UHFFFAOYSA-N -2 3 334.317 0.115 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cocn1 ZINC000738139760 579607341 /nfs/dbraw/zinc/60/73/41/579607341.db2.gz PACVICPAABAIBL-UHFFFAOYSA-N -2 3 334.317 0.115 20 0 ECADHL CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)NC(=O)[O-] ZINC000738780618 579649024 /nfs/dbraw/zinc/64/90/24/579649024.db2.gz ACYRGECLQZMYQO-NSHDSACASA-N -2 3 334.332 0.984 20 0 ECADHL C[C@H](CC(=O)N(C)CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000738895518 579654019 /nfs/dbraw/zinc/65/40/19/579654019.db2.gz WJYCRMBURBOBLR-MRVPVSSYSA-N -2 3 349.796 0.335 20 0 ECADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739037501 579662742 /nfs/dbraw/zinc/66/27/42/579662742.db2.gz IQDURUONLZTJAT-DTWKUNHWSA-N -2 3 347.418 0.283 20 0 ECADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2)o1 ZINC000739308492 579680588 /nfs/dbraw/zinc/68/05/88/579680588.db2.gz KUIIROHUNNGMNV-UHFFFAOYSA-N -2 3 339.325 1.000 20 0 ECADHL O=C([O-])N(CCC[N-]S(=O)(=O)c1c[nH]cn1)Cc1cccnc1 ZINC000740490666 579749892 /nfs/dbraw/zinc/74/98/92/579749892.db2.gz XDKBWNNOHQAJHX-UHFFFAOYSA-N -2 3 339.377 0.653 20 0 ECADHL O=C([O-])NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000740624987 579756043 /nfs/dbraw/zinc/75/60/43/579756043.db2.gz RWPXZWRIQHWFCI-SNVBAGLBSA-N -2 3 331.328 0.833 20 0 ECADHL CCCn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC000743264816 579796242 /nfs/dbraw/zinc/79/62/42/579796242.db2.gz YXAJQTZLKCQKSR-UHFFFAOYSA-N -2 3 334.357 0.978 20 0 ECADHL O=C([O-])NC1(C(=O)Oc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CC1 ZINC000834155366 588885774 /nfs/dbraw/zinc/88/57/74/588885774.db2.gz NYIOQGVCHKYBBK-SNVBAGLBSA-N -2 3 333.300 0.143 20 0 ECADHL O=C([O-])NCCCC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000834232779 588890970 /nfs/dbraw/zinc/89/09/70/588890970.db2.gz YCYHCVAYOSUYAN-LLVKDONJSA-N -2 3 334.332 0.423 20 0 ECADHL O=C([O-])COCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000837288764 588947680 /nfs/dbraw/zinc/94/76/80/588947680.db2.gz QCULWZAAKHPMIK-UHFFFAOYSA-N -2 3 335.725 0.256 20 0 ECADHL COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1 ZINC000837296007 588948288 /nfs/dbraw/zinc/94/82/88/588948288.db2.gz HXWWXHINGCBEGE-SECBINFHSA-N -2 3 337.300 0.622 20 0 ECADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C(N)=O ZINC000840889731 588974368 /nfs/dbraw/zinc/97/43/68/588974368.db2.gz HGPMBGHALBEUNV-MRVPVSSYSA-N -2 3 338.744 0.720 20 0 ECADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(N)=O)C2)c1F ZINC000840895738 588974698 /nfs/dbraw/zinc/97/46/98/588974698.db2.gz UYNQIGRESDRLAS-WCBMZHEXSA-N -2 3 344.364 0.765 20 0 ECADHL C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000841782803 589000641 /nfs/dbraw/zinc/00/06/41/589000641.db2.gz HJYNHKRQWJDJOA-SECBINFHSA-N -2 3 329.161 0.502 20 0 ECADHL CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838916593 586829144 /nfs/dbraw/zinc/82/91/44/586829144.db2.gz JCIFIHCYIHLEAC-SECBINFHSA-N -2 3 326.378 0.824 20 0 ECADHL CN(CCC(=O)[O-])C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000818432341 587430366 /nfs/dbraw/zinc/43/03/66/587430366.db2.gz SJWLCZRQADBNKU-INIZCTEOSA-N -2 3 348.359 0.357 20 0 ECADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820676532 587549012 /nfs/dbraw/zinc/54/90/12/587549012.db2.gz NZHGOXXKTVJTFF-GZMMTYOYSA-N -2 3 337.361 0.239 20 0 ECADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820676532 587549013 /nfs/dbraw/zinc/54/90/13/587549013.db2.gz NZHGOXXKTVJTFF-GZMMTYOYSA-N -2 3 337.361 0.239 20 0 ECADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)COC1 ZINC000820944417 587565287 /nfs/dbraw/zinc/56/52/87/587565287.db2.gz MMBPGFOPQQURSV-UHFFFAOYSA-N -2 3 337.361 0.098 20 0 ECADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)COC1 ZINC000820944417 587565288 /nfs/dbraw/zinc/56/52/88/587565288.db2.gz MMBPGFOPQQURSV-UHFFFAOYSA-N -2 3 337.361 0.098 20 0 ECADHL CCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000821309789 587584129 /nfs/dbraw/zinc/58/41/29/587584129.db2.gz UHZKROLTJYUCQV-UHFFFAOYSA-N -2 3 348.392 0.833 20 0 ECADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000821309789 587584131 /nfs/dbraw/zinc/58/41/31/587584131.db2.gz UHZKROLTJYUCQV-UHFFFAOYSA-N -2 3 348.392 0.833 20 0 ECADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822379204 587656778 /nfs/dbraw/zinc/65/67/78/587656778.db2.gz MAXLOTBRTVHIBJ-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822379204 587656780 /nfs/dbraw/zinc/65/67/80/587656780.db2.gz MAXLOTBRTVHIBJ-UHFFFAOYSA-N -2 3 344.356 0.689 20 0 ECADHL NC(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])nc1 ZINC000822880244 587687374 /nfs/dbraw/zinc/68/73/74/587687374.db2.gz LLQXOXUPMCWPKL-UHFFFAOYSA-N -2 3 325.288 0.319 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccon1)c1cccc(-c2nnn[n-]2)c1 ZINC000823284423 587714094 /nfs/dbraw/zinc/71/40/94/587714094.db2.gz GYFJMDQQFRBOCK-UHFFFAOYSA-N -2 3 334.317 0.115 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1ccon1)c1cccc(-c2nn[n-]n2)c1 ZINC000823284423 587714095 /nfs/dbraw/zinc/71/40/95/587714095.db2.gz GYFJMDQQFRBOCK-UHFFFAOYSA-N -2 3 334.317 0.115 20 0 ECADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824051633 587851094 /nfs/dbraw/zinc/85/10/94/587851094.db2.gz AXPXKCHTSSOJOY-LURJTMIESA-N -2 3 345.768 0.614 20 0 ECADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824051633 587851096 /nfs/dbraw/zinc/85/10/96/587851096.db2.gz AXPXKCHTSSOJOY-LURJTMIESA-N -2 3 345.768 0.614 20 0 ECADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824053191 587851587 /nfs/dbraw/zinc/85/15/87/587851587.db2.gz WBAPIMVYOGNMMT-ZCFIWIBFSA-N -2 3 329.313 0.099 20 0 ECADHL CC(C)[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000824199341 587860527 /nfs/dbraw/zinc/86/05/27/587860527.db2.gz IECYTVRZOBUAFS-NSHDSACASA-N -2 3 339.377 0.395 20 0 ECADHL CC(C)[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824199341 587860530 /nfs/dbraw/zinc/86/05/30/587860530.db2.gz IECYTVRZOBUAFS-NSHDSACASA-N -2 3 339.377 0.395 20 0 ECADHL C[C@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC000824634322 587883065 /nfs/dbraw/zinc/88/30/65/587883065.db2.gz VOOPGUOAZMCWMM-YFKPBYRVSA-N -2 3 331.741 0.272 20 0 ECADHL C[C@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC000824634322 587883066 /nfs/dbraw/zinc/88/30/66/587883066.db2.gz VOOPGUOAZMCWMM-YFKPBYRVSA-N -2 3 331.741 0.272 20 0 ECADHL C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000824840221 587897517 /nfs/dbraw/zinc/89/75/17/587897517.db2.gz JEAFSTLOADKVAT-LBPRGKRZSA-N -2 3 349.387 0.923 20 0 ECADHL C[C@H](COC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1)NC(=O)[O-] ZINC000825001432 587910710 /nfs/dbraw/zinc/91/07/10/587910710.db2.gz JAPQQPQMLCVNHF-SSDOTTSWSA-N -2 3 348.315 0.645 20 0 ECADHL CC[C@H](SC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825160004 587920342 /nfs/dbraw/zinc/92/03/42/587920342.db2.gz VWMCVTIJZVKRKP-JTQLQIEISA-N -2 3 341.418 0.813 20 0 ECADHL CC[C@H](SC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825160004 587920344 /nfs/dbraw/zinc/92/03/44/587920344.db2.gz VWMCVTIJZVKRKP-JTQLQIEISA-N -2 3 341.418 0.813 20 0 ECADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825234339 587925803 /nfs/dbraw/zinc/92/58/03/587925803.db2.gz YSPKNMICGHIUQN-MRVPVSSYSA-N -2 3 326.382 0.691 20 0 ECADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825234339 587925804 /nfs/dbraw/zinc/92/58/04/587925804.db2.gz YSPKNMICGHIUQN-MRVPVSSYSA-N -2 3 326.382 0.691 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000825503058 587946534 /nfs/dbraw/zinc/94/65/34/587946534.db2.gz ODHCKJRCMOHMRG-MRVPVSSYSA-N -2 3 349.434 0.577 20 0 ECADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826148019 587998603 /nfs/dbraw/zinc/99/86/03/587998603.db2.gz VLSYXUXKTPVJDW-UHFFFAOYSA-N -2 3 339.377 0.344 20 0 ECADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826148019 587998605 /nfs/dbraw/zinc/99/86/05/587998605.db2.gz VLSYXUXKTPVJDW-UHFFFAOYSA-N -2 3 339.377 0.344 20 0 ECADHL Cc1[nH]nc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1-c1nnn[n-]1 ZINC000826322705 588024558 /nfs/dbraw/zinc/02/45/58/588024558.db2.gz YEQCERSGEISFTI-UHFFFAOYSA-N -2 3 343.760 0.086 20 0 ECADHL O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826450056 588052454 /nfs/dbraw/zinc/05/24/54/588052454.db2.gz VJTBFKIYEZXAGY-QMMMGPOBSA-N -2 3 343.390 0.167 20 0 ECADHL O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826450056 588052457 /nfs/dbraw/zinc/05/24/57/588052457.db2.gz VJTBFKIYEZXAGY-QMMMGPOBSA-N -2 3 343.390 0.167 20 0 ECADHL O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1sccc1-c1nnn[n-]1 ZINC000826449699 588052720 /nfs/dbraw/zinc/05/27/20/588052720.db2.gz GBQJQBYDWIKNQQ-SSDOTTSWSA-N -2 3 343.390 0.024 20 0 ECADHL O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1sccc1-c1nn[n-]n1 ZINC000826449699 588052722 /nfs/dbraw/zinc/05/27/22/588052722.db2.gz GBQJQBYDWIKNQQ-SSDOTTSWSA-N -2 3 343.390 0.024 20 0 ECADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826461324 588054137 /nfs/dbraw/zinc/05/41/37/588054137.db2.gz PSWYRAOPGYIIHX-JTQLQIEISA-N -2 3 341.324 0.244 20 0 ECADHL CC(C)(CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000826550629 588069746 /nfs/dbraw/zinc/06/97/46/588069746.db2.gz IEIMFVWPXBYZOR-UHFFFAOYSA-N -2 3 339.391 0.469 20 0 ECADHL C[C@@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C[C@@H]1C(=O)[O-] ZINC000828401572 588176585 /nfs/dbraw/zinc/17/65/85/588176585.db2.gz HZWXXNOYMFGJIG-CIBPLQMKSA-N -2 3 345.355 0.534 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)c(C)o1 ZINC000828579420 588191244 /nfs/dbraw/zinc/19/12/44/588191244.db2.gz MFBJHRVHHFDTSW-QMMMGPOBSA-N -2 3 345.377 0.320 20 0 ECADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)[C@H]1OC ZINC000829668579 588334644 /nfs/dbraw/zinc/33/46/44/588334644.db2.gz KQMMPNDFLMQZAR-DMDPSCGWSA-N -2 3 347.364 0.995 20 0 ECADHL CCN1CCO[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000829786666 588341870 /nfs/dbraw/zinc/34/18/70/588341870.db2.gz QOWGXADDBNEPHL-JTQLQIEISA-N -2 3 332.378 0.285 20 0 ECADHL Cc1cc([N-]C(=O)[C@@H](C)OC(=O)[C@]2(F)CCN(C(=O)[O-])C2)on1 ZINC000830098111 588360369 /nfs/dbraw/zinc/36/03/69/588360369.db2.gz RTAPHWPVJIOPSC-OQPBUACISA-N -2 3 329.284 0.945 20 0 ECADHL CCn1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1=O ZINC000830424630 588372292 /nfs/dbraw/zinc/37/22/92/588372292.db2.gz ZOFLUKVPIWCXGS-UHFFFAOYSA-N -2 3 329.359 0.824 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)OC/C=C(/C)C(=O)[O-])ccc1F ZINC000831033964 588400704 /nfs/dbraw/zinc/40/07/04/588400704.db2.gz HHXQZYNLVKBUEZ-YVMONPNESA-N -2 3 331.321 0.922 20 0 ECADHL O=C([O-])N1CC[C@H](OC(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000831432711 588426095 /nfs/dbraw/zinc/42/60/95/588426095.db2.gz MWBZEYSSUONOAI-VIFPVBQESA-N -2 3 348.402 0.712 20 0 ECADHL COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831590227 588435810 /nfs/dbraw/zinc/43/58/10/588435810.db2.gz FFYJRIQBDMCLIW-GFCCVEGCSA-N -2 3 335.334 0.224 20 0 ECADHL O=C([O-])N1CC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000831610826 588437532 /nfs/dbraw/zinc/43/75/32/588437532.db2.gz VEKHAXCAKNRDFM-LBPRGKRZSA-N -2 3 333.344 0.475 20 0 ECADHL Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832858796 588508513 /nfs/dbraw/zinc/50/85/13/588508513.db2.gz SEKYOGJMGQTLQY-UHFFFAOYSA-N -2 3 329.359 0.649 20 0 ECADHL Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000832965489 588511912 /nfs/dbraw/zinc/51/19/12/588511912.db2.gz OTDSVSZJDGEEOF-LLVKDONJSA-N -2 3 328.390 0.882 20 0 ECADHL Cc1nonc1C[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833023599 588514569 /nfs/dbraw/zinc/51/45/69/588514569.db2.gz GUSHTARAUZXLLV-UHFFFAOYSA-N -2 3 327.318 0.320 20 0 ECADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC000833027763 588514868 /nfs/dbraw/zinc/51/48/68/588514868.db2.gz JEWXWPFSOGZPIZ-WCBMZHEXSA-N -2 3 330.362 0.609 20 0 ECADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000833089986 588521075 /nfs/dbraw/zinc/52/10/75/588521075.db2.gz KRRDJWOSCOHUHP-VIFPVBQESA-N -2 3 332.316 0.806 20 0 ECADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)c1 ZINC000833318822 588534549 /nfs/dbraw/zinc/53/45/49/588534549.db2.gz GCIMYILHUGKOFK-SNVBAGLBSA-N -2 3 340.336 0.929 20 0 ECADHL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000833361304 588535990 /nfs/dbraw/zinc/53/59/90/588535990.db2.gz RWVAFZJTDKMEEG-WCQYABFASA-N -2 3 331.328 0.185 20 0 ECADHL CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1=O ZINC000833431923 588541348 /nfs/dbraw/zinc/54/13/48/588541348.db2.gz YXKRSPMLYHPCAG-SSDOTTSWSA-N -2 3 347.418 0.519 20 0 ECADHL CC(C)C[C@H](NC(=O)CNC(=O)/C=C/c1cncc([O-])c1)C(=O)[O-] ZINC000833491018 588544871 /nfs/dbraw/zinc/54/48/71/588544871.db2.gz SNVVMXOVRFWLHV-OOPCZODUSA-N -2 3 335.360 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O=C(CSc1n[n-]c(=S)s1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000775546022 579267918 /nfs/dbraw/zinc/26/79/18/579267918.db2.gz PPLSVAKABRHXDG-LURJTMIESA-N -2 3 343.463 0.838 20 0 ECADHL O=C(CSc1n[n-]c(=S)s1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000775546022 579267920 /nfs/dbraw/zinc/26/79/20/579267920.db2.gz PPLSVAKABRHXDG-LURJTMIESA-N -2 3 343.463 0.838 20 0 ECADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000776571714 579284324 /nfs/dbraw/zinc/28/43/24/579284324.db2.gz ONIYKCDECVGPKN-SECBINFHSA-N -2 3 347.393 0.672 20 0 ECADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC2CCOCC2)C(=O)[O-])s1 ZINC000776600885 579286017 /nfs/dbraw/zinc/28/60/17/579286017.db2.gz KIUOCKZBLGGVGV-SNVBAGLBSA-N -2 3 334.419 1.000 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl)C(=O)[O-] ZINC000760102044 579504578 /nfs/dbraw/zinc/50/45/78/579504578.db2.gz WULSYRYSLOYVIU-SSDOTTSWSA-N -2 3 334.781 0.793 20 0 ECADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c1F ZINC000761291145 579526702 /nfs/dbraw/zinc/52/67/02/579526702.db2.gz FHAGQOUBWGQHPK-SNVBAGLBSA-N -2 3 344.364 0.731 20 0 ECADHL O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cncc([O-])c1 ZINC000738079354 579603163 /nfs/dbraw/zinc/60/31/63/579603163.db2.gz YRJIBFHAHFFEGK-UHFFFAOYSA-N -2 3 326.320 0.204 20 0 ECADHL O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cncc([O-])c1 ZINC000738079354 579603164 /nfs/dbraw/zinc/60/31/64/579603164.db2.gz YRJIBFHAHFFEGK-UHFFFAOYSA-N -2 3 326.320 0.204 20 0 ECADHL Cc1nc(C)c(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])c(=O)[n-]1 ZINC000738845569 579652072 /nfs/dbraw/zinc/65/20/72/579652072.db2.gz VBOSZFCIHAHWDE-JTQLQIEISA-N -2 3 325.390 0.760 20 0 ECADHL C[C@H]1CN(C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000739151517 579669821 /nfs/dbraw/zinc/66/98/21/579669821.db2.gz DFGANADACFCHEU-QMMMGPOBSA-N -2 3 332.316 0.786 20 0 ECADHL CCN(CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-] ZINC000739398403 579685025 /nfs/dbraw/zinc/68/50/25/579685025.db2.gz VUUJIBJJWLBYKV-OAHLLOKOSA-N -2 3 334.332 0.680 20 0 ECADHL CN(CCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000739689485 579703749 /nfs/dbraw/zinc/70/37/49/579703749.db2.gz VZFUKIJHXHGQGQ-UHFFFAOYSA-N -2 3 347.368 0.220 20 0 ECADHL Cc1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)cc1NC(=O)[O-] ZINC000740104795 579729661 /nfs/dbraw/zinc/72/96/61/579729661.db2.gz DJNLBXHAQOMQLF-HNNXBMFYSA-N -2 3 332.316 0.509 20 0 ECADHL O=C([O-])N1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000740401042 579745042 /nfs/dbraw/zinc/74/50/42/579745042.db2.gz RMJXYEGTGDIFTG-YPMHNXCESA-N -2 3 347.371 0.865 20 0 ECADHL O=C([O-])Nc1cccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000834266178 588892423 /nfs/dbraw/zinc/89/24/23/588892423.db2.gz WLWCRQFMKBHNSB-LLVKDONJSA-N -2 3 332.316 0.082 20 0 ECADHL O=C([O-])Nc1ccccc1CC(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000834270629 588892851 /nfs/dbraw/zinc/89/28/51/588892851.db2.gz KIIPXLZKORRCDT-HNNXBMFYSA-N -2 3 332.316 0.130 20 0 ECADHL CC(C)[C@@H](CO)O[N-]C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000836902094 588938072 /nfs/dbraw/zinc/93/80/72/588938072.db2.gz XWFANHYYWGLGJK-CQSZACIVSA-N -2 3 347.371 0.323 20 0 ECADHL O=C([N-]CC1CCN(S(=O)(=O)c2ncc[n-]2)CC1)C(F)(F)F ZINC000867225448 588946834 /nfs/dbraw/zinc/94/68/34/588946834.db2.gz RLWHKLNLNQQCRC-UHFFFAOYSA-N -2 3 340.327 0.489 20 0 ECADHL COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000840890734 588974668 /nfs/dbraw/zinc/97/46/68/588974668.db2.gz MGZREEJWOZNNFQ-AWEZNQCLSA-N -2 3 349.380 0.898 20 0 ECADHL C[C@@](O)(C[N-]S(=O)(=O)C1=Cc2ccccc2OCC1)C(=O)[O-] ZINC000841783298 589000833 /nfs/dbraw/zinc/00/08/33/589000833.db2.gz ROLASOMXVZRUPS-CQSZACIVSA-N -2 3 327.358 0.565 20 0 ECADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000840789249 586788078 /nfs/dbraw/zinc/78/80/78/586788078.db2.gz ADUKKCGFLSFDQH-RXMQYKEDSA-N -2 3 327.236 0.709 20 0 ECADHL CCOc1nc2cc(C(=O)[N-]S(=O)(=O)CC(=O)OC)ccc2[n-]1 ZINC000838796369 586821922 /nfs/dbraw/zinc/82/19/22/586821922.db2.gz HVUOILUZKROJLF-UHFFFAOYSA-N -2 3 341.345 0.194 20 0 ECADHL COCCCN(C)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000906876831 586989369 /nfs/dbraw/zinc/98/93/69/586989369.db2.gz MMYWGYGJZIZOIH-UHFFFAOYSA-N -2 3 348.396 0.771 20 0 ECADHL C[C@@H]1CN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)[C@@H](C)CO1 ZINC000907038119 587009075 /nfs/dbraw/zinc/00/90/75/587009075.db2.gz DTDIUCMTMAYOOO-VHSXEESVSA-N -2 3 348.446 0.834 20 0 ECADHL CN1CCC(O[N-]C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000808024818 587142458 /nfs/dbraw/zinc/14/24/58/587142458.db2.gz RHXNYUKPSKZUAY-UHFFFAOYSA-N -2 3 348.428 0.827 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])ccc1F ZINC000817869575 587389944 /nfs/dbraw/zinc/38/99/44/587389944.db2.gz DGERTLDONYMVPY-MRVPVSSYSA-N -2 3 332.353 0.527 20 0 ECADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000818494951 587435704 /nfs/dbraw/zinc/43/57/04/587435704.db2.gz NLMNKTIIUYYCMG-QMMMGPOBSA-N -2 3 347.418 0.272 20 0 ECADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccnn1C ZINC000819090007 587468033 /nfs/dbraw/zinc/46/80/33/587468033.db2.gz QWHGDDPVWDDXAI-MRVPVSSYSA-N -2 3 347.784 0.220 20 0 ECADHL CC(=O)N1CCC(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])CC1 ZINC000819789521 587490980 /nfs/dbraw/zinc/49/09/80/587490980.db2.gz RXVLPPUIOXOFGE-UHFFFAOYSA-N -2 3 330.348 0.769 20 0 ECADHL CC[C@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000820925801 587563994 /nfs/dbraw/zinc/56/39/94/587563994.db2.gz MUAOQQXXDUPROK-JTQLQIEISA-N -2 3 325.350 0.149 20 0 ECADHL CC[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000820925801 587563995 /nfs/dbraw/zinc/56/39/95/587563995.db2.gz MUAOQQXXDUPROK-JTQLQIEISA-N -2 3 325.350 0.149 20 0 ECADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)s1 ZINC000821250196 587580017 /nfs/dbraw/zinc/58/00/17/587580017.db2.gz RIENDZXXESLJNM-PSASIEDQSA-N -2 3 336.435 0.980 20 0 ECADHL O=C([O-])Cc1ccccc1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000821539041 587599313 /nfs/dbraw/zinc/59/93/13/587599313.db2.gz DTTFMVASFHVMIE-LLVKDONJSA-N -2 3 332.316 0.082 20 0 ECADHL CCOc1nc2cc(C(=O)[N-]S(=O)(=O)c3cnccn3)ccc2[n-]1 ZINC000821626805 587607846 /nfs/dbraw/zinc/60/78/46/587607846.db2.gz ZXDRMCDJLWLRES-UHFFFAOYSA-N -2 3 347.356 0.870 20 0 ECADHL Nc1nc2nc(CSc3cccc(-c4nnn[n-]4)c3)cc(=O)n2[n-]1 ZINC000822912113 587690264 /nfs/dbraw/zinc/69/02/64/587690264.db2.gz NEEUOLZUOHNKAE-UHFFFAOYSA-N -2 3 341.360 0.472 20 0 ECADHL Nc1nc2nc(CSc3cccc(-c4nn[n-]n4)c3)cc(=O)n2[n-]1 ZINC000822912113 587690266 /nfs/dbraw/zinc/69/02/66/587690266.db2.gz NEEUOLZUOHNKAE-UHFFFAOYSA-N -2 3 341.360 0.472 20 0 ECADHL O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822941132 587692257 /nfs/dbraw/zinc/69/22/57/587692257.db2.gz QVRUNRUVMKPBFI-MRVPVSSYSA-N -2 3 335.345 0.459 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823284711 587714519 /nfs/dbraw/zinc/71/45/19/587714519.db2.gz IMXFKVOAOZGJPB-QWHCGFSZSA-N -2 3 347.400 0.859 20 0 ECADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823284711 587714521 /nfs/dbraw/zinc/71/45/21/587714521.db2.gz IMXFKVOAOZGJPB-QWHCGFSZSA-N -2 3 347.400 0.859 20 0 ECADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000824323626 587868262 /nfs/dbraw/zinc/86/82/62/587868262.db2.gz HCLYESBTQUKFCF-NSHDSACASA-N -2 3 330.410 0.960 20 0 ECADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824384471 587871312 /nfs/dbraw/zinc/87/13/12/587871312.db2.gz BYMIPLVSHZTFAJ-LURJTMIESA-N -2 3 329.313 0.147 20 0 ECADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC000824633412 587882894 /nfs/dbraw/zinc/88/28/94/587882894.db2.gz MRFYEFFJLFDRHZ-RXMQYKEDSA-N -2 3 331.741 0.272 20 0 ECADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000824633412 587882896 /nfs/dbraw/zinc/88/28/96/587882896.db2.gz MRFYEFFJLFDRHZ-RXMQYKEDSA-N -2 3 331.741 0.272 20 0 ECADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824795903 587894421 /nfs/dbraw/zinc/89/44/21/587894421.db2.gz ICZHBOOUJYQADD-LLVKDONJSA-N -2 3 335.389 0.859 20 0 ECADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824795903 587894423 /nfs/dbraw/zinc/89/44/23/587894423.db2.gz ICZHBOOUJYQADD-LLVKDONJSA-N -2 3 335.389 0.859 20 0 ECADHL C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825020143 587912586 /nfs/dbraw/zinc/91/25/86/587912586.db2.gz IUIXCAJSHGYZAL-QUBYGPBYSA-N -2 3 345.331 0.601 20 0 ECADHL C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825020143 587912587 /nfs/dbraw/zinc/91/25/87/587912587.db2.gz IUIXCAJSHGYZAL-QUBYGPBYSA-N -2 3 345.331 0.601 20 0 ECADHL C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1 ZINC000825271011 587928073 /nfs/dbraw/zinc/92/80/73/587928073.db2.gz DANSCXRJIFYHEE-NXEZZACHSA-N -2 3 334.380 0.937 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000825501007 587946577 /nfs/dbraw/zinc/94/65/77/587946577.db2.gz ARHRSMZLNOVMOX-MRVPVSSYSA-N -2 3 348.402 0.710 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCCNC(=O)[O-] ZINC000825501352 587946872 /nfs/dbraw/zinc/94/68/72/587946872.db2.gz CJJHKCHSDJSXKR-MRVPVSSYSA-N -2 3 334.325 0.303 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)OCCCNC(=O)[O-] ZINC000825502538 587946874 /nfs/dbraw/zinc/94/68/74/587946874.db2.gz JDTNUOOJWKTEBT-MRVPVSSYSA-N -2 3 336.391 0.616 20 0 ECADHL CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000825679729 587955885 /nfs/dbraw/zinc/95/58/85/587955885.db2.gz CAWXIFSUYFIYHA-SNVBAGLBSA-N -2 3 325.350 0.149 20 0 ECADHL CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000825679729 587955887 /nfs/dbraw/zinc/95/58/87/587955887.db2.gz CAWXIFSUYFIYHA-SNVBAGLBSA-N -2 3 325.350 0.149 20 0 ECADHL C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000825896733 587970282 /nfs/dbraw/zinc/97/02/82/587970282.db2.gz SAUYBNGBZNDMMP-UOWDBTKRSA-N -2 3 339.352 0.416 20 0 ECADHL C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000825896732 587970298 /nfs/dbraw/zinc/97/02/98/587970298.db2.gz SAUYBNGBZNDMMP-NXSYQRQQSA-N -2 3 339.352 0.416 20 0 ECADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1-n1cnnn1 ZINC000826451102 588053551 /nfs/dbraw/zinc/05/35/51/588053551.db2.gz QJAKBRJWTPTNAP-UHFFFAOYSA-N -2 3 349.314 0.800 20 0 ECADHL O=C([O-])CCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826461520 588054663 /nfs/dbraw/zinc/05/46/63/588054663.db2.gz YDQOZRBTFGQPNN-UHFFFAOYSA-N -2 3 329.313 0.149 20 0 ECADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cc(F)c(F)c(F)c1 ZINC000826492641 588062127 /nfs/dbraw/zinc/06/21/27/588062127.db2.gz VVGJHLIMXHRTPV-UHFFFAOYSA-N -2 3 345.266 0.808 20 0 ECADHL O=c1[n-]c(CN2CCN(c3ccc(-c4nnn[n-]4)cc3F)CC2)n[nH]1 ZINC000826501726 588064449 /nfs/dbraw/zinc/06/44/49/588064449.db2.gz DXLVVTRZZANGIH-UHFFFAOYSA-N -2 3 345.342 0.152 20 0 ECADHL O=c1[n-]c(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n[nH]1 ZINC000826501726 588064450 /nfs/dbraw/zinc/06/44/50/588064450.db2.gz DXLVVTRZZANGIH-UHFFFAOYSA-N -2 3 345.342 0.152 20 0 ECADHL CC(C)[C@@H](OC(=O)c1ccc(NC(=O)[O-])c([O-])c1)C(=O)NC(N)=O ZINC000826723722 588080708 /nfs/dbraw/zinc/08/07/08/588080708.db2.gz XOGTWKDKCBLLNH-SNVBAGLBSA-N -2 3 339.304 0.858 20 0 ECADHL C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000827421926 588119892 /nfs/dbraw/zinc/11/98/92/588119892.db2.gz FHLANOGCWIUSLS-ZETCQYMHSA-N -2 3 325.364 0.079 20 0 ECADHL C[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC000827550989 588127469 /nfs/dbraw/zinc/12/74/69/588127469.db2.gz DGJBEOCTOPDCSX-DGCLKSJQSA-N -2 3 340.401 0.822 20 0 ECADHL CN(C[C@H]1CCCN1C(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000828192345 588164415 /nfs/dbraw/zinc/16/44/15/588164415.db2.gz UGPPYOCJNQJBRE-GFCCVEGCSA-N -2 3 335.360 0.723 20 0 ECADHL C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1=O ZINC000828201321 588165827 /nfs/dbraw/zinc/16/58/27/588165827.db2.gz RCEFAXPGAPYVOQ-SZEHBUNVSA-N -2 3 344.414 0.734 20 0 ECADHL C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCN(C(=O)[O-])C2)c(C)o1 ZINC000828580000 588191232 /nfs/dbraw/zinc/19/12/32/588191232.db2.gz SKXMQPNEJAASRO-VIFPVBQESA-N -2 3 346.361 0.653 20 0 ECADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCN2C(=O)[O-])oc1C ZINC000828761790 588203359 /nfs/dbraw/zinc/20/33/59/588203359.db2.gz ZOLVJTGEJLOKJS-VIFPVBQESA-N -2 3 346.361 0.795 20 0 ECADHL CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829822303 588343212 /nfs/dbraw/zinc/34/32/12/588343212.db2.gz FBKWWGOOALVJKO-ZCFIWIBFSA-N -2 3 337.375 0.685 20 0 ECADHL O=C([O-])CC1([N-]S(=O)(=O)c2cn3c(n2)CCCC3)CCOCC1 ZINC000829825736 588343432 /nfs/dbraw/zinc/34/34/32/588343432.db2.gz GOYINALBLQUNON-UHFFFAOYSA-N -2 3 343.405 0.522 20 0 ECADHL Cc1c([O-])ccc2c(Cn3nnnc3CNC(=O)[O-])cc(=O)oc12 ZINC000829884811 588346081 /nfs/dbraw/zinc/34/60/81/588346081.db2.gz TYFLLUXVJQMFON-UHFFFAOYSA-N -2 3 331.288 0.609 20 0 ECADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc3nonc32)CCSCC1 ZINC000829938684 588349079 /nfs/dbraw/zinc/34/90/79/588349079.db2.gz XPQNXOQEOWRHLY-UHFFFAOYSA-N -2 3 343.386 0.852 20 0 ECADHL Cc1cc(CS(=O)(=O)[N-]C[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])on1 ZINC000830045299 588356522 /nfs/dbraw/zinc/35/65/22/588356522.db2.gz MICKSJMVBDEZCD-KOLCDFICSA-N -2 3 347.393 0.906 20 0 ECADHL Cc1cc([N-]C(=O)[C@@H](C)OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)on1 ZINC000830095242 588360605 /nfs/dbraw/zinc/36/06/05/588360605.db2.gz DKYBRWVKUXEQNS-BDAKNGLRSA-N -2 3 327.293 0.232 20 0 ECADHL CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)[O-])c([O-])c1 ZINC000831000930 588398544 /nfs/dbraw/zinc/39/85/44/588398544.db2.gz QMSMGTMWWKGGFP-LURJTMIESA-N -2 3 325.277 0.483 20 0 ECADHL COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831060816 588402340 /nfs/dbraw/zinc/40/23/40/588402340.db2.gz ZRFVLXJLUNYBHC-LURJTMIESA-N -2 3 337.300 0.750 20 0 ECADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000831261548 588417215 /nfs/dbraw/zinc/41/72/15/588417215.db2.gz ZMDQTRFTQZPTEH-QMMMGPOBSA-N -2 3 333.304 0.209 20 0 ECADHL COC[C@@](C)(CC(=O)[O-])NCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1 ZINC000831573619 588434731 /nfs/dbraw/zinc/43/47/31/588434731.db2.gz SLFMODMTIANSIV-MEDUHNTESA-N -2 3 338.408 0.684 20 0 ECADHL COCCCN(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000831692215 588442338 /nfs/dbraw/zinc/44/23/38/588442338.db2.gz IACZYZYDBPPSLG-UHFFFAOYSA-N -2 3 348.396 0.771 20 0 ECADHL COCCOCCS(=O)(=O)[N-]c1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000831767694 588448633 /nfs/dbraw/zinc/44/86/33/588448633.db2.gz QUPSGQVSCVBNKM-UHFFFAOYSA-N -2 3 343.361 0.666 20 0 ECADHL O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)C1 ZINC000832271240 588477253 /nfs/dbraw/zinc/47/72/53/588477253.db2.gz WKWFXJZCXIAHNV-NEPJUHHUSA-N -2 3 335.360 0.675 20 0 ECADHL Cc1[nH]nc(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)c1C(=O)[O-] ZINC000832858711 588508762 /nfs/dbraw/zinc/50/87/62/588508762.db2.gz PUVBHNCJKUADLR-UHFFFAOYSA-N -2 3 326.334 0.224 20 0 ECADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C3CC3)C2)cc1C(=O)[O-] ZINC000833028219 588515318 /nfs/dbraw/zinc/51/53/18/588515318.db2.gz LNSQJJKDSFJFFP-MRVPVSSYSA-N -2 3 328.346 0.328 20 0 ECADHL Cn1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc(Cl)c1=O ZINC000833052827 588517033 /nfs/dbraw/zinc/51/70/33/588517033.db2.gz LAULIUJUKWYGBJ-UHFFFAOYSA-N -2 3 346.752 0.121 20 0 ECADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000833090350 588520958 /nfs/dbraw/zinc/52/09/58/588520958.db2.gz VXMMPDZKOVJRND-QMMMGPOBSA-N -2 3 340.242 0.304 20 0 ECADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000833090211 588521043 /nfs/dbraw/zinc/52/10/43/588521043.db2.gz TZAOMYAQUOOCJI-UHFFFAOYSA-N -2 3 330.300 0.761 20 0 ECADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCNC(=O)C2CCC2)o1 ZINC000833323189 588534460 /nfs/dbraw/zinc/53/44/60/588534460.db2.gz IGLOMXIIAAEDSY-UHFFFAOYSA-N -2 3 330.362 0.563 20 0 ECADHL CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)[C@@H](C)C1 ZINC000833394519 588538354 /nfs/dbraw/zinc/53/83/54/588538354.db2.gz RHORRKRDZOKATN-KWQFWETISA-N -2 3 346.430 0.982 20 0 ECADHL CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H](C)C1 ZINC000833393058 588538480 /nfs/dbraw/zinc/53/84/80/588538480.db2.gz GNPOUOZYCPFCJA-WCBMZHEXSA-N -2 3 330.362 0.513 20 0 ECADHL CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O ZINC000833431293 588541088 /nfs/dbraw/zinc/54/10/88/588541088.db2.gz LKHMRURBZVIFAJ-VIFPVBQESA-N -2 3 330.362 0.656 20 0 ECADHL CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O ZINC000833431292 588541163 /nfs/dbraw/zinc/54/11/63/588541163.db2.gz LKHMRURBZVIFAJ-SECBINFHSA-N -2 3 330.362 0.656 20 0 ECADHL Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833756117 588565013 /nfs/dbraw/zinc/56/50/13/588565013.db2.gz HCSKJYQRTNVAQL-QMMMGPOBSA-N -2 3 340.365 0.130 20 0 ECADHL Cc1nc(S(=O)(=O)[N-]CC2(C)CCN(C(=O)[O-])CC2)cn1C ZINC000833915824 588578060 /nfs/dbraw/zinc/57/80/60/588578060.db2.gz LEPTZKBIVUPZSN-UHFFFAOYSA-N -2 3 330.410 0.787 20 0 ECADHL Cc1nc(S(=O)(=O)[N-]C[C@@]2(C)CCCN(C(=O)[O-])C2)cn1C ZINC000833917484 588578107 /nfs/dbraw/zinc/57/81/07/588578107.db2.gz ZNCIQPHNFNQDLD-CYBMUJFWSA-N -2 3 330.410 0.787 20 0 ECADHL O=C([O-])N1CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000834041383 588590292 /nfs/dbraw/zinc/59/02/92/588590292.db2.gz LCLUQDRTGGTJQG-SECBINFHSA-N -2 3 347.418 0.143 20 0 ECADHL O=C([O-])N1CCN(CCC[N-]S(=O)(=O)c2ccccn2)CC1 ZINC000834113119 588595291 /nfs/dbraw/zinc/59/52/91/588595291.db2.gz PXZDKAKBKYDWPU-UHFFFAOYSA-N -2 3 328.394 0.046 20 0 ECADHL O=C([O-])N[C@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1 ZINC000834124248 588596276 /nfs/dbraw/zinc/59/62/76/588596276.db2.gz WDEPDYVGQPCNMH-NEPJUHHUSA-N -2 3 346.343 0.148 20 0 ECADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000848681103 589306664 /nfs/dbraw/zinc/30/66/64/589306664.db2.gz SYVJJOUAYNAEFZ-LURJTMIESA-N -2 3 337.716 0.967 20 0 ECADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cccn1 ZINC000852734408 589508532 /nfs/dbraw/zinc/50/85/32/589508532.db2.gz AVSPEMMRBDJANB-NXEZZACHSA-N -2 3 334.298 0.479 20 0 ECADHL Cc1cnn(CCN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852736467 589508635 /nfs/dbraw/zinc/50/86/35/589508635.db2.gz MVDSROCHMWFHDU-QWRGUYRKSA-N -2 3 348.325 0.788 20 0 ECADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CC=C(C(=O)[O-])C2)s1 ZINC000853068796 589530931 /nfs/dbraw/zinc/53/09/31/589530931.db2.gz FAGDLKLFYJQLQD-QMMMGPOBSA-N -2 3 331.375 0.553 20 0 ECADHL C[C@]1(c2cccc(C(=O)N[C@H]3CC=C(C(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000864165559 590058538 /nfs/dbraw/zinc/05/85/38/590058538.db2.gz GJHDLDURHKQTPE-YVEFUNNKSA-N -2 3 343.339 0.644 20 0 ECADHL O=C(c1cccc(Br)c1[O-])N1CC2(C1)NC(=O)[N-]C2=O ZINC000889303354 590725605 /nfs/dbraw/zinc/72/56/05/590725605.db2.gz FXAIMGBHHIGHCG-UHFFFAOYSA-N -2 3 340.133 0.189 20 0 ECADHL O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC2(C1)NC(=O)[N-]C2=O ZINC000889299809 591049440 /nfs/dbraw/zinc/04/94/40/591049440.db2.gz NTFYUEYEKLHTGT-UHFFFAOYSA-N -2 3 330.127 0.733 20 0 ECADHL COCCN1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000399501890 599779270 /nfs/dbraw/zinc/77/92/70/599779270.db2.gz JUMPPIPHUGNREO-JTQLQIEISA-N -2 3 332.378 0.367 20 0 ECADHL CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000320000227 599769502 /nfs/dbraw/zinc/76/95/02/599769502.db2.gz LGHOPUAKORJJMF-UHFFFAOYSA-N -2 3 344.389 0.903 20 0 ECADHL Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNC(=O)[O-])nc1Cl ZINC000831014462 605184232 /nfs/dbraw/zinc/18/42/32/605184232.db2.gz VKQCDNSXGMMQSA-SFYZADRCSA-N -2 3 336.801 0.788 20 0 ECADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nc[nH]n1 ZINC000318542846 605295977 /nfs/dbraw/zinc/29/59/77/605295977.db2.gz VNDJOFUECGMJMW-RXMQYKEDSA-N -2 3 332.288 0.821 20 0 ECADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC000948626409 611671946 /nfs/dbraw/zinc/67/19/46/611671946.db2.gz CFFBHJMXJQUMPH-MWLCHTKSSA-N -2 3 343.343 0.173 20 0 ECADHL C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000941836400 610525684 /nfs/dbraw/zinc/52/56/84/610525684.db2.gz JIWVRONPMNBBBT-PWSUYJOCSA-N -2 3 331.376 0.856 20 0 ECADHL