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([O-])c1ccccc1-c1ccc(C=NNC(=O)[C@@H]2COCCO2)o1 ZINC000833334114 600690364 /nfs/dbraw/zinc/69/03/64/600690364.db2.gz JLUPSHHWMPAJIX-HNNXBMFYSA-N -1 0 344.323 1.510 20 50 EDGDRM Cc1cc(C(=O)NNC(=O)c2ccoc2)cc(C)c1OCC(=O)[O-] ZINC000832864482 601679776 /nfs/dbraw/zinc/67/97/76/601679776.db2.gz ISHWNDWCNWCBQK-UHFFFAOYSA-N -1 0 332.312 1.435 20 50 EDGDRM Cc1cc(C(=O)NNC(=O)CC(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000832864497 601679804 /nfs/dbraw/zinc/67/98/04/601679804.db2.gz JREQEIPKQPWABJ-UHFFFAOYSA-N -1 0 336.388 1.964 20 50 EDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNC(=O)c1cccc2cccnc21 ZINC000831339258 602774170 /nfs/dbraw/zinc/77/41/70/602774170.db2.gz FQZRMMPJNJNWIR-LBPRGKRZSA-N -1 0 342.355 1.528 20 50 EDGDRM O=C([O-])N(CC(=O)NNC(=O)c1ccc(Cl)cc1)CC1CC1 ZINC000831464355 603215550 /nfs/dbraw/zinc/21/55/50/603215550.db2.gz PFLJKZRVWRXJIY-UHFFFAOYSA-N -1 0 325.752 1.491 20 50 EDGDRM COc1cc[nH]c(=NNC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])n1 ZINC000829650126 603465928 /nfs/dbraw/zinc/46/59/28/603465928.db2.gz PBFKXXKOYHWYBK-GFCCVEGCSA-N -1 0 345.359 1.197 20 50 EDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000831340209 603514205 /nfs/dbraw/zinc/51/42/05/603514205.db2.gz SZEYAQCMJGDQIP-VIFPVBQESA-N -1 0 343.742 1.773 20 50 EDGDRM COc1ccccc1NC(=S)NNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000829637743 603539801 /nfs/dbraw/zinc/53/98/01/603539801.db2.gz GRCIOKMTUOZJMP-SECBINFHSA-N -1 0 340.405 1.259 20 50 EDGDRM CCC(CC)(CNC(=O)NNC(=O)c1cc(C)oc1C)NC(=O)[O-] ZINC000826541056 603548754 /nfs/dbraw/zinc/54/87/54/603548754.db2.gz OIMCZCNFDCXDRE-UHFFFAOYSA-N -1 0 340.380 1.667 20 50 EDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNC(=O)CCCc2ccccc2)C1 ZINC000832279085 603562802 /nfs/dbraw/zinc/56/28/02/603562802.db2.gz PNIAHMLUIYCTOJ-ZIAGYGMSSA-N -1 0 333.388 1.593 20 50 EDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NN=c2[nH]cccc2C(F)(F)F)C1 ZINC000832279433 603656331 /nfs/dbraw/zinc/65/63/31/603656331.db2.gz QSSXGIOLZOBHIY-SFYZADRCSA-N -1 0 332.282 1.980 20 50 EDGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccccc1F ZINC000824196112 603662455 /nfs/dbraw/zinc/66/24/55/603662455.db2.gz HAFSWSNLEDOKNC-JTQLQIEISA-N -1 0 340.355 1.452 20 50 EDGDRM O=C([O-])NC[C@H]1CCCN1C(=O)NNC(=O)CCCc1ccccc1 ZINC000832555707 603750366 /nfs/dbraw/zinc/75/03/66/603750366.db2.gz BMZKFBMBZNHVQU-CQSZACIVSA-N -1 0 348.403 1.482 20 50 EDGDRM COc1ccc(OCC(=O)NN=CC2CCN(C(=O)[O-])CC2)cc1 ZINC000829501275 603855860 /nfs/dbraw/zinc/85/58/60/603855860.db2.gz YIBUXMHCDWJZSW-UHFFFAOYSA-N -1 0 335.360 1.566 20 50 EDGDRM Cc1cc(C)[nH]c(=NNC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)n1 ZINC000830025863 603885890 /nfs/dbraw/zinc/88/58/90/603885890.db2.gz RIPJLGRABMQCOF-CYBMUJFWSA-N -1 0 344.375 1.728 20 50 EDGDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccccc1F ZINC000826795710 603889443 /nfs/dbraw/zinc/88/94/43/603889443.db2.gz RBGFTDPDOCHDME-JTQLQIEISA-N -1 0 340.355 1.596 20 50 EDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2nc(=O)c3ccccc3[nH]2)C1 ZINC000832278415 604005450 /nfs/dbraw/zinc/00/54/50/604005450.db2.gz NPCZFCRYXQNRDV-RKDXNWHRSA-N -1 0 331.332 1.215 20 50 EDGDRM CC(=NNC(=O)CNC(=O)c1ccco1)[C@H]1CCCCN1C(=O)[O-] ZINC000823527447 604087102 /nfs/dbraw/zinc/08/71/02/604087102.db2.gz KDOOAFANAHAVDD-LLVKDONJSA-N -1 0 336.348 1.034 20 50 EDGDRM CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@@H]1CCCCN1C(=O)[O-] ZINC000823531713 604087293 /nfs/dbraw/zinc/08/72/93/604087293.db2.gz CJQBKWPSCAGMNT-ZDUSSCGKSA-N -1 0 349.347 1.815 20 50 EDGDRM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)[O-] ZINC000823818423 604200796 /nfs/dbraw/zinc/20/07/96/604200796.db2.gz ZRSSYCSCUJLCGG-NXEZZACHSA-N -1 0 330.385 1.552 20 50 EDGDRM O=C([O-])NC1(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000832175819 604421214 /nfs/dbraw/zinc/42/12/14/604421214.db2.gz NYZAABGOUMDQAX-UHFFFAOYSA-N -1 0 332.143 1.555 20 50 EDGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NN=c1nccc[nH]1)c1ccccc1 ZINC000826103974 604531580 /nfs/dbraw/zinc/53/15/80/604531580.db2.gz ZHLCHUFLPLGZAK-GFCCVEGCSA-N -1 0 329.360 1.955 20 50 EDGDRM O=C([O-])N1CC(NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000831742566 604623874 /nfs/dbraw/zinc/62/38/74/604623874.db2.gz KOKCCARPHVDFII-UHFFFAOYSA-N -1 0 346.265 1.012 20 50 EDGDRM CC(=NNC(=O)c1ccc2ccccc2c1)c1cn(CC(=O)[O-])nn1 ZINC000825804574 604784943 /nfs/dbraw/zinc/78/49/43/604784943.db2.gz MNFNKJBGMBYSMZ-UHFFFAOYSA-N -1 0 337.339 1.670 20 50 EDGDRM CCOc1ccccc1OCC(=O)NN[C@@H](C(=O)[O-])c1cccnc1 ZINC000830109859 604987539 /nfs/dbraw/zinc/98/75/39/604987539.db2.gz PEUSCNSRRFDKGQ-MRXNPFEDSA-N -1 0 345.355 1.306 20 50 EDGDRM O=C([O-])N1CCC[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)C1 ZINC000831736908 605280530 /nfs/dbraw/zinc/28/05/30/605280530.db2.gz XRRWBFICXXTCRQ-JTQLQIEISA-N -1 0 330.344 1.319 20 50 EDGDRM O=C([O-])N1CCC[C@@H](OCC(=O)NNc2ccc(F)cc2F)C1 ZINC000831517684 605298418 /nfs/dbraw/zinc/29/84/18/605298418.db2.gz UKLYQWDJWLELSN-SNVBAGLBSA-N -1 0 329.303 1.567 20 50 EDGDRM O=C([O-])N1CCC[C@H](OCC(=O)NNc2c(F)cccc2F)C1 ZINC000831518366 605351652 /nfs/dbraw/zinc/35/16/52/605351652.db2.gz ZYWDXXRYRBXZRM-VIFPVBQESA-N -1 0 329.303 1.567 20 50 EDGDRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NNC(=O)c3ccccc3)C[C@H]21 ZINC000834176512 605357695 /nfs/dbraw/zinc/35/76/95/605357695.db2.gz DDXZJAUIAYHJHW-MGPQQGTHSA-N -1 0 346.387 1.409 20 50 EDGDRM O=C([O-])NNC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000834250957 605381631 /nfs/dbraw/zinc/38/16/31/605381631.db2.gz PPMBCPHQYYDZGG-ZCFIWIBFSA-N -1 0 330.703 1.066 20 50 EDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CCC2 ZINC000824299527 605575575 /nfs/dbraw/zinc/57/55/75/605575575.db2.gz QVXZDHAUBRBUOT-JTQLQIEISA-N -1 0 339.417 1.680 20 50 EDGDRM CC(C)(C=NNC(=O)NCC(=O)[O-])[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000833450886 605588321 /nfs/dbraw/zinc/58/83/21/605588321.db2.gz AFABKZXVGUEIGJ-GFCCVEGCSA-N -1 0 336.348 1.443 20 50 EDGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000833469673 605736881 /nfs/dbraw/zinc/73/68/81/605736881.db2.gz YBYPLYGZRKMSIZ-JTQLQIEISA-N -1 0 330.728 1.984 20 50 EDGDRM O=C(CCc1ccco1)NN=C1CCC[C@@H]1[C@H]1COCCN1C(=O)[O-] ZINC000833998773 605742934 /nfs/dbraw/zinc/74/29/34/605742934.db2.gz CLDLELZXWPBCTR-DZGCQCFKSA-N -1 0 349.387 1.863 20 50 EDGDRM O=C([O-])NCCC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000834229156 605843982 /nfs/dbraw/zinc/84/39/82/605843982.db2.gz XWAASQNCBKWPER-UHFFFAOYSA-N -1 0 344.371 1.465 20 50 EDGDRM O=C([O-])NCCC(=O)NNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000834227600 605845608 /nfs/dbraw/zinc/84/56/08/605845608.db2.gz XCUMUMOXDBUYLA-UHFFFAOYSA-N -1 0 325.752 1.177 20 50 EDGDRM O=C([O-])N[C@@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000834145796 605947597 /nfs/dbraw/zinc/94/75/97/605947597.db2.gz WESFRDFWAGGWME-NSHDSACASA-N -1 0 340.767 1.330 20 50 EDGDRM Cn1c(CC(=O)NN=C2CCCN(C(=O)[O-])CC2)nc2ccccc21 ZINC000833940640 605990230 /nfs/dbraw/zinc/99/02/30/605990230.db2.gz CSCDLHSFECWMKN-UHFFFAOYSA-N -1 0 343.387 1.752 20 50 EDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)CCc1ccccc1 ZINC000833830467 606030238 /nfs/dbraw/zinc/03/02/38/606030238.db2.gz MRSUBTBZEIMLPL-KSSFIOAISA-N -1 0 347.415 1.983 20 50 EDGDRM O=C([O-])NCCNC(=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000834243805 606062506 /nfs/dbraw/zinc/06/25/06/606062506.db2.gz VHSAMZAZDOFKLG-IJLUTSLNSA-N -1 0 326.397 1.191 20 50 EDGDRM CC(C)c1ocnc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824371404 608580592 /nfs/dbraw/zinc/58/05/92/608580592.db2.gz DOWVIHTXDBRVKF-UHFFFAOYSA-N -1 0 348.754 1.783 20 50 EDGDRM CC(=O)N1CC[C@@](C)(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000825828794 601269584 /nfs/dbraw/zinc/26/95/84/601269584.db2.gz NLWBDXNFQXIXBC-OAHLLOKOSA-N -1 0 336.300 1.457 20 50 EDGDRM CCOC(=O)C(C#N)=CN[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829818606 601294329 /nfs/dbraw/zinc/29/43/29/601294329.db2.gz YQQPNWIKMKMHST-IQQGHNRFSA-N -1 0 349.368 1.112 20 50 EDGDRM O=C([O-])C1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCCC1 ZINC000833136640 601421144 /nfs/dbraw/zinc/42/11/44/601421144.db2.gz SVODWCJQWNUKTI-UHFFFAOYSA-N -1 0 339.779 1.929 20 50 EDGDRM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000826754069 601542534 /nfs/dbraw/zinc/54/25/34/601542534.db2.gz IJLJBBLKYMPHJO-BLLLJJGKSA-N -1 0 347.415 1.252 20 50 EDGDRM C[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@@H]1C(=O)[O-] ZINC000828478976 601592973 /nfs/dbraw/zinc/59/29/73/601592973.db2.gz DNOWEGWSYNWQDB-MFKMUULPSA-N -1 0 331.821 1.809 20 50 EDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cc(F)ccc1Br ZINC000827303701 602147713 /nfs/dbraw/zinc/14/77/13/602147713.db2.gz IKIRPFXSQBSEBI-ZCFIWIBFSA-N -1 0 347.140 1.460 20 50 EDGDRM O=C([O-])N(CC(=O)NNC(=O)c1cc2c(s1)CCC2)CC1CC1 ZINC000831463854 603226765 /nfs/dbraw/zinc/22/67/65/603226765.db2.gz DUYXJPSEAKIZIX-UHFFFAOYSA-N -1 0 337.401 1.388 20 50 EDGDRM C[C@@H](CC(=O)NNC(=O)CCSc1ccc(F)cc1)NC(=O)[O-] ZINC000824671426 603228899 /nfs/dbraw/zinc/22/88/99/603228899.db2.gz HDOYDSNWGYISKR-VIFPVBQESA-N -1 0 343.380 1.502 20 50 EDGDRM CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827604704 603426458 /nfs/dbraw/zinc/42/64/58/603426458.db2.gz RDMUCUYFAYQYDE-OLZOCXBDSA-N -1 0 349.387 1.212 20 50 EDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1 ZINC000832276340 603431402 /nfs/dbraw/zinc/43/14/02/603431402.db2.gz ANCFNPVXJOGSOU-KOLCDFICSA-N -1 0 325.752 1.537 20 50 EDGDRM Cn1cc(C(=O)NNC(=O)NCC(C)(C)NC(=O)[O-])c2ccccc21 ZINC000830989603 603453326 /nfs/dbraw/zinc/45/33/26/603453326.db2.gz QXKAJLVWCOEEDI-UHFFFAOYSA-N -1 0 347.375 1.169 20 50 EDGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000824137702 603513266 /nfs/dbraw/zinc/51/32/66/603513266.db2.gz ULXKUXJOXVUNDM-SNVBAGLBSA-N -1 0 331.731 1.532 20 50 EDGDRM Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C)CN(C)C(=O)[O-])c1 ZINC000830275548 603539254 /nfs/dbraw/zinc/53/92/54/603539254.db2.gz UFBSRIUQCPUEFZ-NSHDSACASA-N -1 0 338.433 1.867 20 50 EDGDRM COc1cc(Cl)ccc1C(=O)NNC(=O)CC1CN(C(=O)[O-])C1 ZINC000829134714 603642239 /nfs/dbraw/zinc/64/22/39/603642239.db2.gz FXBXSQNCDBNWTG-UHFFFAOYSA-N -1 0 341.751 1.110 20 50 EDGDRM O=C([O-])NCCCNC(=O)NNC(=O)c1cccc2ccccc21 ZINC000832616580 603751625 /nfs/dbraw/zinc/75/16/25/603751625.db2.gz HUGNTSFTQQQJAK-UHFFFAOYSA-N -1 0 330.344 1.442 20 50 EDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNC(=O)c2c[nH]c3ccccc23)C1 ZINC000831736433 603822335 /nfs/dbraw/zinc/82/23/35/603822335.db2.gz LTJYLNZQPQBWBJ-OAHLLOKOSA-N -1 0 334.307 1.021 20 50 EDGDRM CN(NC(=O)NCCCN1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000828435092 603999265 /nfs/dbraw/zinc/99/92/65/603999265.db2.gz XIAUWELRCGCIDJ-UHFFFAOYSA-N -1 0 335.408 1.023 20 50 EDGDRM CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000828073556 604032457 /nfs/dbraw/zinc/03/24/57/604032457.db2.gz LXCJWAIBRMXPOS-CMPLNLGQSA-N -1 0 349.391 1.342 20 50 EDGDRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)CC(F)(F)F ZINC000832514121 604204970 /nfs/dbraw/zinc/20/49/70/604204970.db2.gz MLEOWWPFRILJMU-SFYZADRCSA-N -1 0 340.302 1.096 20 50 EDGDRM Cc1ccc(NCC(=O)NNC(=O)CC2(NC(=O)[O-])CCC2)c(C)c1 ZINC000830396115 604217888 /nfs/dbraw/zinc/21/78/88/604217888.db2.gz UQTKPFCEXAQZBG-UHFFFAOYSA-N -1 0 348.403 1.443 20 50 EDGDRM O=C([O-])N[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)c1ccccc1 ZINC000832136141 604222331 /nfs/dbraw/zinc/22/23/31/604222331.db2.gz QXKGYJLFDRKBLJ-VIFPVBQESA-N -1 0 348.281 1.278 20 50 EDGDRM COc1cc(F)cc(NNC(=O)c2csc(CNC(=O)[O-])n2)c1 ZINC000829141379 604315953 /nfs/dbraw/zinc/31/59/53/604315953.db2.gz DBEHEBKUQYZNJR-UHFFFAOYSA-N -1 0 340.336 1.815 20 50 EDGDRM C[C@@H](CC(=O)NNC(=O)NC1CCCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824672556 604321634 /nfs/dbraw/zinc/32/16/34/604321634.db2.gz YWRUXSTYOQCOQO-RYUDHWBXSA-N -1 0 340.424 1.676 20 50 EDGDRM C[C@H](CC(=O)NNc1nccnc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824679380 604580660 /nfs/dbraw/zinc/58/06/60/604580660.db2.gz KIVLJDNEHADMML-NXEZZACHSA-N -1 0 341.799 1.989 20 50 EDGDRM C[C@H](CC(=O)NNC(=O)NCC1CC1)C1CCN(C(=O)[O-])CC1 ZINC000824672579 604756593 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C[C@H](NC(=S)NNC(=O)c1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC000827710405 601343237 /nfs/dbraw/zinc/34/32/37/601343237.db2.gz QVCNDMLPNYGLPM-VIFPVBQESA-N -1 0 337.401 1.057 20 50 EDGDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=O)Cc1ccccc1C ZINC000832977018 601955715 /nfs/dbraw/zinc/95/57/15/601955715.db2.gz AEAVLGOQZYFJNM-UHFFFAOYSA-N -1 0 342.399 1.976 20 50 EDGDRM Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1C ZINC000830406371 603425055 /nfs/dbraw/zinc/42/50/55/603425055.db2.gz DJOYWVWQTRWACC-STQMWFEESA-N -1 0 349.387 1.266 20 50 EDGDRM O=C([O-])N1CC(OCC(=O)NNc2cccc(C(F)(F)F)c2)C1 ZINC000831537966 603471431 /nfs/dbraw/zinc/47/14/31/603471431.db2.gz QYAQMNRCBDAKPM-UHFFFAOYSA-N -1 0 333.266 1.527 20 50 EDGDRM C[C@H](NC(=S)NNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)C1CC1 ZINC000825467031 603612248 /nfs/dbraw/zinc/61/22/48/603612248.db2.gz YEFZEIKGWRCJIB-JMJZKYOTSA-N -1 0 328.438 1.107 20 50 EDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNc1ccc(Br)nc1 ZINC000831339562 603615834 /nfs/dbraw/zinc/61/58/34/603615834.db2.gz IYDJDJVVXWLWSM-VIFPVBQESA-N -1 0 343.181 1.820 20 50 EDGDRM Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c(C)o1 ZINC000829956710 603631000 /nfs/dbraw/zinc/63/10/00/603631000.db2.gz MBFMIMOZPQVEFW-MWLCHTKSSA-N -1 0 339.348 1.161 20 50 EDGDRM CC(C)CC1(C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)CCC1 ZINC000824223534 603675472 /nfs/dbraw/zinc/67/54/72/603675472.db2.gz GCOZNEPBYFKQIB-UHFFFAOYSA-N -1 0 340.424 1.676 20 50 EDGDRM Cc1cc(C)[nH]c(=NNC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])n1 ZINC000830023957 603859986 /nfs/dbraw/zinc/85/99/86/603859986.db2.gz COYJSWZAVBEDIP-NWDGAFQWSA-N -1 0 336.396 1.546 20 50 EDGDRM Cc1cc(C)[nH]c(=NNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])n1 ZINC000830023960 603860017 /nfs/dbraw/zinc/86/00/17/603860017.db2.gz COYJSWZAVBEDIP-VXGBXAGGSA-N -1 0 336.396 1.546 20 50 EDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNC(=O)Cc1ccncc1)C2 ZINC000831561916 603953739 /nfs/dbraw/zinc/95/37/39/603953739.db2.gz BHHWNEROXLLTGC-AGUYFDCRSA-N -1 0 346.387 1.083 20 50 EDGDRM CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@H]1CCCCN1C(=O)[O-] ZINC000823531712 604086911 /nfs/dbraw/zinc/08/69/11/604086911.db2.gz CJQBKWPSCAGMNT-CYBMUJFWSA-N -1 0 349.347 1.815 20 50 EDGDRM C[C@@H](CC(=O)NNC(=O)NC1CCCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672555 604321711 /nfs/dbraw/zinc/32/17/11/604321711.db2.gz YWRUXSTYOQCOQO-NWDGAFQWSA-N -1 0 340.424 1.676 20 50 EDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccnc(N(C)C)c1 ZINC000833405732 605039564 /nfs/dbraw/zinc/03/95/64/605039564.db2.gz HKWJHCZFYCDIOX-NSHDSACASA-N -1 0 329.360 1.359 20 50 EDGDRM O=C([O-])NCc1ccc(C(=O)NN=c2nc[nH]c3ccsc32)o1 ZINC000832702825 605127453 /nfs/dbraw/zinc/12/74/53/605127453.db2.gz XSQSNZZLCCFXBF-UHFFFAOYSA-N -1 0 333.329 1.809 20 50 EDGDRM O=C([O-])NCC(=O)NN=Cc1c(-c2ccccc2)nc2sccn12 ZINC000834199571 605382304 /nfs/dbraw/zinc/38/23/04/605382304.db2.gz CECVPSOTSYFCII-UHFFFAOYSA-N -1 0 343.368 1.781 20 50 EDGDRM Cc1cc(C(=O)NNC(=O)CNC(=O)[O-])c(C)cc1Br ZINC000833899159 605459077 /nfs/dbraw/zinc/45/90/77/605459077.db2.gz XWGHCPJRSLDTES-UHFFFAOYSA-N -1 0 344.165 1.095 20 50 EDGDRM O=C([O-])NCC(=O)NNC(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000834200536 605462993 /nfs/dbraw/zinc/46/29/93/605462993.db2.gz MFYVFEBRNJSMFT-AATRIKPKSA-N -1 0 347.249 1.013 20 50 EDGDRM O=C([O-])NCC(=O)NNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000834202662 605514886 /nfs/dbraw/zinc/51/48/86/605514886.db2.gz XGDKVCUKVHAVNN-CYBMUJFWSA-N -1 0 338.339 1.265 20 50 EDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000823851108 605567910 /nfs/dbraw/zinc/56/79/10/605567910.db2.gz WLGXHMZFVFINTM-SNVBAGLBSA-N -1 0 338.320 1.038 20 50 EDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)Cc1ccc(F)cc1 ZINC000824299279 605579293 /nfs/dbraw/zinc/57/92/93/605579293.db2.gz CUDLTDPWTNVFAS-LBPRGKRZSA-N -1 0 325.340 1.198 20 50 EDGDRM O=C([O-])Nc1ccc(C(=O)NNC(=O)NC2CCCCC2)c(O)c1 ZINC000834257807 605626885 /nfs/dbraw/zinc/62/68/85/605626885.db2.gz OOHIXYURQDTKTC-UHFFFAOYSA-N -1 0 336.348 1.759 20 50 EDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)NCCc1cccs1 ZINC000823849570 605667625 /nfs/dbraw/zinc/66/76/25/605667625.db2.gz CWRPSGJZXUEBOC-SNVBAGLBSA-N -1 0 342.421 1.303 20 50 EDGDRM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NNC(=O)NCC1CC1 ZINC000831636024 605668808 /nfs/dbraw/zinc/66/88/08/605668808.db2.gz UYFKCFHZVDREMB-CYBMUJFWSA-N -1 0 332.360 1.004 20 50 EDGDRM O=C([O-])NNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000834251030 605677234 /nfs/dbraw/zinc/67/72/34/605677234.db2.gz QXDDIQZEJLVWJP-UHFFFAOYSA-N -1 0 348.281 1.846 20 50 EDGDRM CCS(=O)(=O)c1cccc(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833666438 605722354 /nfs/dbraw/zinc/72/23/54/605722354.db2.gz XAOVNVLQLITKKA-UHFFFAOYSA-N -1 0 348.380 1.935 20 50 EDGDRM O=C([O-])N1CCC[C@@H](OCC(=O)NNc2cccc3cnccc32)C1 ZINC000834009012 605739590 /nfs/dbraw/zinc/73/95/90/605739590.db2.gz AMVZUPGKTLVXSO-CYBMUJFWSA-N -1 0 344.371 1.837 20 50 EDGDRM CC(C)(C)S(=O)(=O)CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833446775 605743208 /nfs/dbraw/zinc/74/32/08/605743208.db2.gz IDEAHSZMCWTDKI-UHFFFAOYSA-N -1 0 343.405 1.224 20 50 EDGDRM CCCN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CBr ZINC000833852697 605953557 /nfs/dbraw/zinc/95/35/57/605953557.db2.gz BYISLJGUWQIRBH-QMMMGPOBSA-N -1 0 329.216 1.133 20 50 EDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000834231274 605974016 /nfs/dbraw/zinc/97/40/16/605974016.db2.gz NAHNXLJAXRUYLL-VHSXEESVSA-N -1 0 341.314 1.264 20 50 EDGDRM Cc1cc(C(=O)NNC(=O)[C@H]2CCCC[C@@]2(C)NC(=O)[O-])c(C)o1 ZINC000833899011 605998972 /nfs/dbraw/zinc/99/89/72/605998972.db2.gz VERZPFKOJOWJND-MLGOLLRUSA-N -1 0 337.376 1.874 20 50 EDGDRM O=C([O-])NC1(CC(=O)NNc2ccc(C(F)(F)F)nn2)CCC1 ZINC000834155629 606034048 /nfs/dbraw/zinc/03/40/48/606034048.db2.gz PAHSQJJLKOKJLP-UHFFFAOYSA-N -1 0 333.270 1.519 20 50 EDGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)Cc1ccsc1 ZINC000833832916 606049674 /nfs/dbraw/zinc/04/96/74/606049674.db2.gz YLKRZZOLYMEIAQ-ABAIWWIYSA-N -1 0 339.417 1.655 20 50 EDGDRM O=C([O-])Nc1ccccc1CC(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000834275030 606099896 /nfs/dbraw/zinc/09/98/96/606099896.db2.gz XFOPGXZEZLEEFK-UHFFFAOYSA-N -1 0 331.288 1.766 20 50 EDGDRM O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1ccc([O-])c(Cl)c1 ZINC000826444717 607889059 /nfs/dbraw/zinc/88/90/59/607889059.db2.gz RFLIBQGLRAUJDY-UHFFFAOYSA-N -1 0 342.746 1.990 20 50 EDGDRM Cc1cc(=O)[nH]cc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826256378 608577079 /nfs/dbraw/zinc/57/70/79/608577079.db2.gz GMSNMHSDMIVWOX-UHFFFAOYSA-N -1 0 346.738 1.081 20 50 EDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000833185812 600918508 /nfs/dbraw/zinc/91/85/08/600918508.db2.gz YKWSOKPNYVYBKE-YRGRVCCFSA-N -1 0 332.356 1.029 20 50 EDGDRM COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832602088 601152169 /nfs/dbraw/zinc/15/21/69/601152169.db2.gz PUJQTVWSGSZTPU-QWHCGFSZSA-N -1 0 334.372 1.276 20 50 EDGDRM Cc1ccc(C(=O)NNC(=O)Cc2ccccn2)cc1NC(=O)[O-] ZINC000830225646 602858113 /nfs/dbraw/zinc/85/81/13/602858113.db2.gz RYHBQNZYJLAGKU-UHFFFAOYSA-N -1 0 328.328 1.484 20 50 EDGDRM Cc1cccc(O[C@H](C)C(=O)NNC(=O)C[C@@H](C)NC(=O)[O-])c1C ZINC000830521592 603228246 /nfs/dbraw/zinc/22/82/46/603228246.db2.gz JVDXMWCQNZIZOX-ZYHUDNBSSA-N -1 0 337.376 1.264 20 50 EDGDRM O=C(C[C@H]1CCCN1C(=O)[O-])NNC(=O)NCCc1cccs1 ZINC000831336157 603415057 /nfs/dbraw/zinc/41/50/57/603415057.db2.gz YIYUYTAPRUEPFZ-SNVBAGLBSA-N -1 0 340.405 1.154 20 50 EDGDRM COc1ccc(OCC(=O)NN=Cc2ccc(NC(=O)[O-])nc2)cc1 ZINC000829500530 603484228 /nfs/dbraw/zinc/48/42/28/603484228.db2.gz LRPHIXKGQJAKAB-UHFFFAOYSA-N -1 0 344.327 1.709 20 50 EDGDRM O=C([O-])Nc1ccc(C=NNC(=O)[C@H]2COc3ccccc3O2)cn1 ZINC000832838792 603485136 /nfs/dbraw/zinc/48/51/36/603485136.db2.gz MZSCPOKSGHCTFF-CYBMUJFWSA-N -1 0 342.311 1.462 20 50 EDGDRM CCC(CC)(CNC(=O)NNC(=O)c1ccccc1C)NC(=O)[O-] ZINC000826540992 603546184 /nfs/dbraw/zinc/54/61/84/603546184.db2.gz KXWYKJASZCYULS-UHFFFAOYSA-N -1 0 336.392 1.765 20 50 EDGDRM Cc1cc(NNC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])nc(C)n1 ZINC000830121283 603638765 /nfs/dbraw/zinc/63/87/65/603638765.db2.gz BBPBSXTUVYDECN-CQSZACIVSA-N -1 0 343.387 1.806 20 50 EDGDRM Cc1cc(NNC(=O)[C@H](CNC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000830123125 603638800 /nfs/dbraw/zinc/63/88/00/603638800.db2.gz SFQHLGAVRWQICL-CYBMUJFWSA-N -1 0 329.360 1.588 20 50 EDGDRM C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCN1C(=O)[O-] ZINC000826007369 603749012 /nfs/dbraw/zinc/74/90/12/603749012.db2.gz HZXJVCJBIBDAOI-CYBMUJFWSA-N -1 0 348.403 1.434 20 50 EDGDRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccccc1F ZINC000832474476 603852507 /nfs/dbraw/zinc/85/25/07/603852507.db2.gz HPYBKIHGTKZDBV-CABZTGNLSA-N -1 0 338.339 1.206 20 50 EDGDRM Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)CN(C)C(=O)[O-])cc1C ZINC000830407481 604061603 /nfs/dbraw/zinc/06/16/03/604061603.db2.gz PQLJELYTHMUWKS-LBPRGKRZSA-N -1 0 337.376 1.076 20 50 EDGDRM O=C([O-])NNC(=O)c1cc(F)c(F)cc1I ZINC000832748407 604418421 /nfs/dbraw/zinc/41/84/21/604418421.db2.gz JMDOEZRKGSQYMD-UHFFFAOYSA-N -1 0 342.039 1.482 20 50 EDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1F ZINC000833149159 604813526 /nfs/dbraw/zinc/81/35/26/604813526.db2.gz GTELWCAOQQKRET-UHFFFAOYSA-N -1 0 337.694 1.647 20 50 EDGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](C)NC(=O)[O-] ZINC000833540001 604940219 /nfs/dbraw/zinc/94/02/19/604940219.db2.gz REDNEIQKVDFGGT-WDEREUQCSA-N -1 0 345.355 1.411 20 50 EDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 ZINC000833454641 605067339 /nfs/dbraw/zinc/06/73/39/605067339.db2.gz QHLDTBCNJBGIQR-UHFFFAOYSA-N -1 0 336.344 1.110 20 50 EDGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000832326656 605126323 /nfs/dbraw/zinc/12/63/23/605126323.db2.gz TXSHSEKSLBNHLA-BDAKNGLRSA-N -1 0 335.389 1.961 20 50 EDGDRM O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1c(F)cccc1F ZINC000831413849 605313767 /nfs/dbraw/zinc/31/37/67/605313767.db2.gz GUBYBWHMPGVRKR-QMMMGPOBSA-N -1 0 331.344 1.893 20 50 EDGDRM O=C([O-])NCC(=O)NNC(=O)Nc1ncc(-c2ccccc2)s1 ZINC000834203584 605406981 /nfs/dbraw/zinc/40/69/81/605406981.db2.gz 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/nfs/dbraw/zinc/57/50/74/605575074.db2.gz BCPKWHMSHQVRRE-OAHLLOKOSA-N -1 0 339.351 1.725 20 50 EDGDRM O=C([O-])N[C@@H](CC(=O)NNc1ccncc1Cl)c1ccccc1 ZINC000834125154 605631795 /nfs/dbraw/zinc/63/17/95/605631795.db2.gz AMQMXXDCECSEOB-ZDUSSCGKSA-N -1 0 334.763 1.999 20 50 EDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1cccc2ncccc21 ZINC000833454163 605706816 /nfs/dbraw/zinc/70/68/16/605706816.db2.gz DRLVJYGMZQTXKB-UHFFFAOYSA-N -1 0 329.356 1.887 20 50 EDGDRM Cn1c(NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)nc2ccccc2c1=O ZINC000830979114 605722283 /nfs/dbraw/zinc/72/22/83/605722283.db2.gz RKNMECKJCPQLPY-LLVKDONJSA-N -1 0 347.375 1.059 20 50 EDGDRM O=C([O-])N(CC(=O)NNc1cccc2cnccc21)C[C@H]1CCCO1 ZINC000834005136 605736797 /nfs/dbraw/zinc/73/67/97/605736797.db2.gz APACICBAROVAMW-CYBMUJFWSA-N -1 0 344.371 1.837 20 50 EDGDRM O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccncc1 ZINC000834045518 605738282 /nfs/dbraw/zinc/73/82/82/605738282.db2.gz PTXRFTCEHZEBJR-JSGCOSHPSA-N -1 0 332.360 1.346 20 50 EDGDRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833677052 605747130 /nfs/dbraw/zinc/74/71/30/605747130.db2.gz AVXBIGLEKXSSEB-LBPRGKRZSA-N -1 0 344.375 1.700 20 50 EDGDRM O=C([O-])NCCCCC(=O)NNC(=O)Cc1cccc2ccccc21 ZINC000834234541 605889075 /nfs/dbraw/zinc/88/90/75/605889075.db2.gz TVVBQGAWVWRZNC-UHFFFAOYSA-N -1 0 343.383 1.968 20 50 EDGDRM Cc1cccnc1C(=O)NNC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833911136 605927211 /nfs/dbraw/zinc/92/72/11/605927211.db2.gz UGUILJDJHSQNFQ-CHWSQXEVSA-N -1 0 348.403 1.567 20 50 EDGDRM O=C([O-])NCCCC(=O)NNC(=O)CCn1ccc2ccccc21 ZINC000834230489 605974913 /nfs/dbraw/zinc/97/49/13/605974913.db2.gz FKAYNKYJVPAGIL-UHFFFAOYSA-N -1 0 332.360 1.227 20 50 EDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cncc(-c2ccccc2)c1 ZINC000834230110 605974946 /nfs/dbraw/zinc/97/49/46/605974946.db2.gz QTSODWUHZVFPJU-UHFFFAOYSA-N -1 0 342.355 1.557 20 50 EDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccccc1C(F)(F)F ZINC000834229651 605976449 /nfs/dbraw/zinc/97/64/49/605976449.db2.gz CQLZTNBWMZSNSW-UHFFFAOYSA-N -1 0 333.266 1.514 20 50 EDGDRM O=C([O-])NCCCC(=O)NNC(=O)CCc1cccc(F)c1F ZINC000834230367 605979283 /nfs/dbraw/zinc/97/92/83/605979283.db2.gz CVXOYMFNVZVSNH-UHFFFAOYSA-N -1 0 329.303 1.093 20 50 EDGDRM O=C([O-])NCCNC(=O)NN=Cc1cc(Cl)cc2c1OCC2 ZINC000834243936 605992885 /nfs/dbraw/zinc/99/28/85/605992885.db2.gz WSRZQSBCIQDCJP-UHFFFAOYSA-N -1 0 326.740 1.176 20 50 EDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNC(=O)c1cccc(Cl)c1 ZINC000834136478 606000702 /nfs/dbraw/zinc/00/07/02/606000702.db2.gz USKWRFWTFXTFMS-MRVPVSSYSA-N -1 0 335.694 1.392 20 50 EDGDRM Cn1c2ccccc2sc1=NNC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833939177 606014046 /nfs/dbraw/zinc/01/40/46/606014046.db2.gz XFWJGEBEEKGNHE-UHFFFAOYSA-N -1 0 344.356 1.365 20 50 EDGDRM O=C(CCC(F)(F)F)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826405328 608577569 /nfs/dbraw/zinc/57/75/69/608577569.db2.gz BNRKXVXUCSEVDI-UHFFFAOYSA-N -1 0 335.677 1.701 20 50 EDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNc2c(F)c(F)nc(F)c2F)C1 ZINC000833183827 600871872 /nfs/dbraw/zinc/87/18/72/600871872.db2.gz KPCQUQUNNZVLMI-RITPCOANSA-N -1 0 335.257 1.972 20 50 EDGDRM O=C([O-])c1cc(C(=O)NNC(=O)NCCc2cccs2)ccn1 ZINC000833143490 601280797 /nfs/dbraw/zinc/28/07/97/601280797.db2.gz MLWDUADQHAGMOS-UHFFFAOYSA-N -1 0 334.357 1.028 20 50 EDGDRM N#Cc1cccc([C@H](NNC(=O)Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC000833075408 601298875 /nfs/dbraw/zinc/29/88/75/601298875.db2.gz LEOZCYAKIHTUTI-INIZCTEOSA-N -1 0 327.315 1.687 20 50 EDGDRM Cc1cc(C(=O)NNC(=O)c2cccn2C)cc(C)c1OCC(=O)[O-] ZINC000832864489 601674168 /nfs/dbraw/zinc/67/41/68/601674168.db2.gz JBLXZMLJPGEUNE-UHFFFAOYSA-N -1 0 345.355 1.180 20 50 EDGDRM COc1ccc(CCNC(=O)/C(C#N)=C/c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000832299889 601790244 /nfs/dbraw/zinc/79/02/44/601790244.db2.gz OEVCQLROHYZKNJ-RIYZIHGNSA-N -1 0 339.351 1.987 20 50 EDGDRM COc1ccc(CNC(=O)/C(C#N)=C\c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000832319038 601790312 /nfs/dbraw/zinc/79/03/12/601790312.db2.gz QVOFPCQADHXCOY-MLPAPPSSSA-N -1 0 325.324 1.945 20 50 EDGDRM O=C([O-])[C@@H](NNC(=O)c1cnccn1)c1cc(Cl)cc(Cl)c1 ZINC000833149397 601972047 /nfs/dbraw/zinc/97/20/47/601972047.db2.gz PFQNCARJIZWGLK-NSHDSACASA-N -1 0 341.154 1.844 20 50 EDGDRM CCOc1ccc(NC(=S)NNC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000830085168 602266631 /nfs/dbraw/zinc/26/66/31/602266631.db2.gz RDKCJHBPKFIOSC-SECBINFHSA-N -1 0 325.390 1.514 20 50 EDGDRM O=C(C[C@H]1CCCN1C(=O)[O-])NNC(=O)c1cc2c(s1)CCC2 ZINC000831340137 603226690 /nfs/dbraw/zinc/22/66/90/603226690.db2.gz ROYYLODXVHCUKH-SNVBAGLBSA-N -1 0 337.401 1.530 20 50 EDGDRM C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823705766 603245472 /nfs/dbraw/zinc/24/54/72/603245472.db2.gz XVPOITFDCDWUNE-MFKMUULPSA-N -1 0 330.344 1.421 20 50 EDGDRM C[C@@H](C(=O)NNC(=O)C1CCCC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702398 603317152 /nfs/dbraw/zinc/31/71/52/603317152.db2.gz KIFUMZSURYKSMU-BXUZGUMPSA-N -1 0 333.388 1.969 20 50 EDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)CC1CCCC1)Cc1ccccc1 ZINC000832105770 603541103 /nfs/dbraw/zinc/54/11/03/603541103.db2.gz QMFXNZLJYWATSW-HNNXBMFYSA-N -1 0 347.415 1.983 20 50 EDGDRM CC1(C)C(=NNC(=O)NC2CCN(C(=O)[O-])CC2)[C@@H]2CCCO[C@@H]21 ZINC000825690424 603630326 /nfs/dbraw/zinc/63/03/26/603630326.db2.gz IVSKRZTVDMJFFN-AAEUAGOBSA-N -1 0 338.408 1.619 20 50 EDGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NNC(=O)c1cc(C)oc1C ZINC000826793246 603886015 /nfs/dbraw/zinc/88/60/15/603886015.db2.gz CHBFYDOADSOGGT-LLVKDONJSA-N -1 0 340.380 1.667 20 50 EDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])n1 ZINC000830763777 603919751 /nfs/dbraw/zinc/91/97/51/603919751.db2.gz DOIGULCKFWXLHW-LLVKDONJSA-N -1 0 349.778 1.760 20 50 EDGDRM Cc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1NC(=O)[O-] ZINC000830225162 604033119 /nfs/dbraw/zinc/03/31/19/604033119.db2.gz GZDIRAMBFVVINS-UHFFFAOYSA-N -1 0 336.417 1.994 20 50 EDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000824867165 604214177 /nfs/dbraw/zinc/21/41/77/604214177.db2.gz BEQWPEUWOZRMDE-SNVBAGLBSA-N -1 0 345.359 1.084 20 50 EDGDRM O=C([O-])N[C@@H](CNC(=O)NNC(=O)C1CCCC1)c1ccccc1 ZINC000832136021 604218141 /nfs/dbraw/zinc/21/81/41/604218141.db2.gz QEWWQUHUCABWQK-ZDUSSCGKSA-N -1 0 334.376 1.516 20 50 EDGDRM O=C([O-])NCc1ccc(C(=O)NN=c2[nH]cccc2[N+](=O)[O-])cc1 ZINC000832702546 604313413 /nfs/dbraw/zinc/31/34/13/604313413.db2.gz RIIFWSJTWIBKTL-UHFFFAOYSA-N -1 0 331.288 1.514 20 50 EDGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)C2(NC(=O)[O-])CC2)cc1 ZINC000824244592 604419266 /nfs/dbraw/zinc/41/92/66/604419266.db2.gz JDCVAUAUWKUUGM-UHFFFAOYSA-N -1 0 349.387 1.673 20 50 EDGDRM C[C@@H](CC(=O)NNC(=O)OC(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000824672134 604640301 /nfs/dbraw/zinc/64/03/01/604640301.db2.gz RQXYJNHAMBZZBD-JTQLQIEISA-N -1 0 329.397 1.959 20 50 EDGDRM C[C@@]1(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)Cc2ccccc2C(=O)O1 ZINC000833552923 604800981 /nfs/dbraw/zinc/80/09/81/604800981.db2.gz KQDDVJFGLUAFPT-KRWDZBQOSA-N -1 0 341.323 1.395 20 50 EDGDRM C[C@H](CC(=O)NNC(=S)NC(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000824672271 604815685 /nfs/dbraw/zinc/81/56/85/604815685.db2.gz VIGZUYBCNHMXQF-SNVBAGLBSA-N -1 0 344.481 1.696 20 50 EDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1F ZINC000833102930 604816982 /nfs/dbraw/zinc/81/69/82/604816982.db2.gz XDMBWSWGCHPLTK-UHFFFAOYSA-N -1 0 330.315 1.918 20 50 EDGDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)NNC(=O)CC(C)(C)C ZINC000826126573 604888107 /nfs/dbraw/zinc/88/81/07/604888107.db2.gz OUHHZOCJVZLTMR-UWVGGRQHSA-N -1 0 344.412 1.256 20 50 EDGDRM Cc1cc(C(=O)NNC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)[nH]n1 ZINC000829956797 604929746 /nfs/dbraw/zinc/92/97/46/604929746.db2.gz NHHPIVAJZWHFPZ-LBPRGKRZSA-N -1 0 345.359 1.268 20 50 EDGDRM O=C([O-])N1CCC[C@H](C(=O)NNC(=O)c2ccc3ccccc3n2)C1 ZINC000831736541 605144430 /nfs/dbraw/zinc/14/44/30/605144430.db2.gz OODXLBYNDHFUMT-LBPRGKRZSA-N -1 0 342.355 1.386 20 50 EDGDRM CC[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1CCCC1=O ZINC000833636047 605246019 /nfs/dbraw/zinc/24/60/19/605246019.db2.gz FRKJPGUYGZNGNP-GFCCVEGCSA-N -1 0 339.779 1.882 20 50 EDGDRM O=C([O-])N1CCO[C@@H](CC(=O)NNc2cccc(C(F)(F)F)c2)C1 ZINC000831387764 605255130 /nfs/dbraw/zinc/25/51/30/605255130.db2.gz PROKGMUHJDASCJ-NSHDSACASA-N -1 0 347.293 1.917 20 50 EDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)CNC(=O)OC(C)(C)C ZINC000833406972 605287474 /nfs/dbraw/zinc/28/74/74/605287474.db2.gz LBABKHVBGQBKJN-SNVBAGLBSA-N -1 0 338.364 1.109 20 50 EDGDRM O=C([O-])N1CCO[C@H](CC(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831387451 605380247 /nfs/dbraw/zinc/38/02/47/605380247.db2.gz KAXDYMRSFFPDRB-MRVPVSSYSA-N -1 0 333.266 1.316 20 50 EDGDRM O=C(CCOc1ccccc1)NNC(=O)CC[C@H]1CCN(C(=O)[O-])C1 ZINC000833994336 605441851 /nfs/dbraw/zinc/44/18/51/605441851.db2.gz APFNVSDLGNFGRH-ZDUSSCGKSA-N -1 0 349.387 1.383 20 50 EDGDRM O=C([O-])NCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000834201118 605469206 /nfs/dbraw/zinc/46/92/06/605469206.db2.gz SNFNZKMCRSHKNX-UONOGXRCSA-N -1 0 327.340 1.358 20 50 EDGDRM O=C([O-])N1CCC[C@H](n2cc(C(=O)NNC(=O)C3CCCC3)cn2)C1 ZINC000834045726 605513594 /nfs/dbraw/zinc/51/35/94/605513594.db2.gz SVBYWGVCYBNEFZ-ZDUSSCGKSA-N -1 0 349.391 1.149 20 50 EDGDRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NNc1ncc(F)cn1 ZINC000834046715 605692604 /nfs/dbraw/zinc/69/26/04/605692604.db2.gz BLYYNKDTSIVQKD-GFCCVEGCSA-N -1 0 331.307 1.164 20 50 EDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccccc1Br ZINC000834228550 605799517 /nfs/dbraw/zinc/79/95/17/605799517.db2.gz KYAWWRVSYORKQO-UHFFFAOYSA-N -1 0 328.166 1.947 20 50 EDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)Cc2ccccn2)c1 ZINC000834266787 605803907 /nfs/dbraw/zinc/80/39/07/605803907.db2.gz IRZQGGOPCUYBRB-UHFFFAOYSA-N -1 0 328.328 1.104 20 50 EDGDRM O=C([O-])NCCC(=O)NNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000834227163 605842412 /nfs/dbraw/zinc/84/24/12/605842412.db2.gz MGMJCDPAUCHDFT-UHFFFAOYSA-N -1 0 333.266 1.053 20 50 EDGDRM Cn1cc(Br)cc1C(=O)NN=C1CCC[C@H]1NC(=O)[O-] ZINC000833945366 605857968 /nfs/dbraw/zinc/85/79/68/605857968.db2.gz PSVCHJKPIMJZHS-MRVPVSSYSA-N -1 0 343.181 1.694 20 50 EDGDRM O=C([O-])N1CC[C@H](C(=O)OCCCI)C1 ZINC000834286605 605862997 /nfs/dbraw/zinc/86/29/97/605862997.db2.gz ZRQMQCXZZPJREF-ZETCQYMHSA-N -1 0 327.118 1.355 20 50 EDGDRM C[C@@]1(C(=O)OCCCI)CCCN1C(=O)[O-] ZINC000833822489 605863753 /nfs/dbraw/zinc/86/37/53/605863753.db2.gz RNWHMBYRSWYBFA-JTQLQIEISA-N -1 0 341.145 1.887 20 50 EDGDRM O=C([O-])NC1(C(=O)NNc2ccnc(F)c2)Cc2ccccc2C1 ZINC000834153611 605875953 /nfs/dbraw/zinc/87/59/53/605875953.db2.gz HMFAQCZYCKXAKW-UHFFFAOYSA-N -1 0 330.319 1.469 20 50 EDGDRM O=C([O-])N(CC(=O)NNC(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000834001228 605972600 /nfs/dbraw/zinc/97/26/00/605972600.db2.gz IAWPTUUOCOLGLU-UHFFFAOYSA-N -1 0 346.170 1.897 20 50 EDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000834230755 605974001 /nfs/dbraw/zinc/97/40/01/605974001.db2.gz HWFDXXVSHGRIFM-SUMWQHHRSA-N -1 0 331.372 1.086 20 50 EDGDRM O=C([O-])NCCCC(=O)NNC(=O)Cc1ccccc1C(F)(F)F ZINC000834231942 605976763 /nfs/dbraw/zinc/97/67/63/605976763.db2.gz UMZRQDPZPZRBKS-UHFFFAOYSA-N -1 0 347.293 1.443 20 50 EDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)CCc1ccco1 ZINC000833830552 606027706 /nfs/dbraw/zinc/02/77/06/606027706.db2.gz NFCVUQNDCHUVLT-MLGOLLRUSA-N -1 0 337.376 1.576 20 50 EDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000834134745 606078966 /nfs/dbraw/zinc/07/89/66/606078966.db2.gz KTKJZDCLRRPOHG-SSDOTTSWSA-N -1 0 327.209 1.838 20 50 EDGDRM CCc1ccnc(C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC000825728670 608551016 /nfs/dbraw/zinc/55/10/16/608551016.db2.gz VLJGVDBWEJGWIB-UHFFFAOYSA-N -1 0 342.363 1.692 20 50 EDGDRM N#Cc1ccccc1OCC(=O)NN[C@@H](C(=O)[O-])c1ccccc1F ZINC000833075843 600733623 /nfs/dbraw/zinc/73/36/23/600733623.db2.gz XPBBEIIIYGPRGM-MRXNPFEDSA-N -1 0 343.314 1.523 20 50 EDGDRM O=C(CCOc1ccccc1)NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833103338 600916559 /nfs/dbraw/zinc/91/65/59/600916559.db2.gz WLHRYBVFSXJQIF-OLZOCXBDSA-N -1 0 334.372 1.494 20 50 EDGDRM O=C([O-])c1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)ccn1 ZINC000833122826 601284734 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Cc1cc(NC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)no1 ZINC000826269999 608542859 /nfs/dbraw/zinc/54/28/59/608542859.db2.gz GTMDTNXGYIVMLS-UHFFFAOYSA-N -1 0 335.715 1.360 20 50 EDGDRM CC[C@@H](SC)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825159015 608581311 /nfs/dbraw/zinc/58/13/11/608581311.db2.gz HEOORURAUSKMBN-SSDOTTSWSA-N -1 0 327.801 1.500 20 50 EDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000833148963 600870952 /nfs/dbraw/zinc/87/09/52/600870952.db2.gz BTYCIZYRXVMYQI-KOLCDFICSA-N -1 0 334.328 1.067 20 50 EDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1 ZINC000833149156 600893232 /nfs/dbraw/zinc/89/32/32/600893232.db2.gz GRYUIDWMYGTXSN-RKDXNWHRSA-N -1 0 325.752 1.387 20 50 EDGDRM COCCO[C@H](C)C(=O)NN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000831757759 601434591 /nfs/dbraw/zinc/43/45/91/601434591.db2.gz WJBOVGIJGYOWMP-SKDRFNHKSA-N -1 0 330.768 1.138 20 50 EDGDRM Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H](C)CC(=O)[O-] ZINC000832992391 602072215 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C[C@H](NC(=O)NNC(=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000825171083 603867176 /nfs/dbraw/zinc/86/71/76/603867176.db2.gz GPVYFTNCJQYFLE-LURJTMIESA-N -1 0 325.712 1.933 20 50 EDGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNC(=O)NC1CCCC1 ZINC000832358197 603970524 /nfs/dbraw/zinc/97/05/24/603970524.db2.gz IRGVALNYWVWPJP-QWHCGFSZSA-N -1 0 340.424 1.866 20 50 EDGDRM CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000828073559 604032097 /nfs/dbraw/zinc/03/20/97/604032097.db2.gz LXCJWAIBRMXPOS-PWSUYJOCSA-N -1 0 349.391 1.342 20 50 EDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)Cc1ccc(Cl)cc1 ZINC000824868132 604062643 /nfs/dbraw/zinc/06/26/43/604062643.db2.gz IZIVYNRFCHSEBT-SECBINFHSA-N -1 0 327.768 1.276 20 50 EDGDRM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)[O-] ZINC000823818426 604200793 /nfs/dbraw/zinc/20/07/93/604200793.db2.gz ZRSSYCSCUJLCGG-ZJUUUORDSA-N -1 0 330.385 1.552 20 50 EDGDRM O=C([O-])NCCNC(=O)NN=Cc1cc(Cl)cc2cccnc12 ZINC000832652432 604289857 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EDGDRM Cc1nc2ccnn2c(C)c1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833757386 604984447 /nfs/dbraw/zinc/98/44/47/604984447.db2.gz ZCXXSKGQOWZRIJ-UHFFFAOYSA-N -1 0 326.316 1.196 20 50 EDGDRM Cc1cccc(O[C@H](C)C(=O)NN[C@H](C(=O)[O-])c2cccnc2)c1C ZINC000832973211 604988012 /nfs/dbraw/zinc/98/80/12/604988012.db2.gz QRDPUYXUVURDBY-CJNGLKHVSA-N -1 0 343.383 1.912 20 50 EDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)COc1ccccc1F ZINC000833408268 605038485 /nfs/dbraw/zinc/03/84/85/605038485.db2.gz RJUVIVPNUGNKDP-LLVKDONJSA-N -1 0 333.319 1.802 20 50 EDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)CNC(=O)c1cccs1 ZINC000833406407 605040161 /nfs/dbraw/zinc/04/01/61/605040161.db2.gz DOGMJXUZKYQSRB-SNVBAGLBSA-N -1 0 348.384 1.075 20 50 EDGDRM CN(CC(=O)NNC(=O)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833691316 605121346 /nfs/dbraw/zinc/12/13/46/605121346.db2.gz AEMKANAKQQLYEA-UHFFFAOYSA-N -1 0 327.340 1.282 20 50 EDGDRM CC(C)(C)C(=O)NCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833420770 605244858 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SXAAWDMFEXXUPD-UHFFFAOYSA-N -1 0 330.340 1.845 20 50 EDGDRM C[C@@H](Oc1cccc(CO)c1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833540585 605735624 /nfs/dbraw/zinc/73/56/24/605735624.db2.gz MXCYWYKRXHRNLG-LLVKDONJSA-N -1 0 330.340 1.788 20 50 EDGDRM O=C([O-])N1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000834048595 605737457 /nfs/dbraw/zinc/73/74/57/605737457.db2.gz PUUSLMMDQITDKO-SSDOTTSWSA-N -1 0 328.712 1.691 20 50 EDGDRM O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)c1cccnc1 ZINC000834044504 605738036 /nfs/dbraw/zinc/73/80/36/605738036.db2.gz DOPDYEMZYDGAGJ-JSGCOSHPSA-N -1 0 332.360 1.346 20 50 EDGDRM O=C([O-])NCCCC(=O)NN=Cc1sc(Cl)nc1Cl ZINC000834228774 605797870 /nfs/dbraw/zinc/79/78/70/605797870.db2.gz RAAIBYTXMOXDEV-UHFFFAOYSA-N -1 0 325.177 1.948 20 50 EDGDRM O=C([O-])NCCCC(=O)NN=C(C[C@H]1CCOC1)c1ccccc1 ZINC000834229596 605798961 /nfs/dbraw/zinc/79/89/61/605798961.db2.gz OKQKXWGFAYGPHU-CYBMUJFWSA-N -1 0 333.388 1.981 20 50 EDGDRM CCC1(C=NNC(=O)NC2CCN(C(=O)[O-])CC2)CCOCC1 ZINC000833845429 605855406 /nfs/dbraw/zinc/85/54/06/605855406.db2.gz NAIWDPIHGMSBHN-UHFFFAOYSA-N -1 0 326.397 1.621 20 50 EDGDRM CCCN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CBr ZINC000833852696 605953641 /nfs/dbraw/zinc/95/36/41/605953641.db2.gz BYISLJGUWQIRBH-MRVPVSSYSA-N -1 0 329.216 1.133 20 50 EDGDRM O=C([O-])NCCCC(=O)NNC(=O)C1(c2ccccc2)CCCC1 ZINC000834228488 605977127 /nfs/dbraw/zinc/97/71/27/605977127.db2.gz IUIBYKZIDWKPOK-UHFFFAOYSA-N -1 0 333.388 1.694 20 50 EDGDRM O=C([O-])N(CC(=O)NNc1ccc(C(F)(F)F)nn1)CC1CC1 ZINC000834005765 606033828 /nfs/dbraw/zinc/03/38/28/606033828.db2.gz GLDCBSCTTOAJNR-UHFFFAOYSA-N -1 0 333.270 1.329 20 50 EDGDRM CS[C@@H](C)CCC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826225768 608321886 /nfs/dbraw/zinc/32/18/86/608321886.db2.gz KPSZEDQUIWUUIT-ZETCQYMHSA-N -1 0 341.828 1.890 20 50 EDGDRM COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832602086 601152160 /nfs/dbraw/zinc/15/21/60/601152160.db2.gz PUJQTVWSGSZTPU-OLZOCXBDSA-N -1 0 334.372 1.276 20 50 EDGDRM 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O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NNc1ccnc(F)c1 ZINC000834046706 605875240 /nfs/dbraw/zinc/87/52/40/605875240.db2.gz BKYYTNDQLQYGCT-AWEZNQCLSA-N -1 0 330.319 1.941 20 50 EDGDRM O=C([O-])N(CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000834001193 605987210 /nfs/dbraw/zinc/98/72/10/605987210.db2.gz GLPWCAKGKYIDMT-UHFFFAOYSA-N -1 0 328.712 1.834 20 50 EDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1ccccc1F ZINC000833832007 605999053 /nfs/dbraw/zinc/99/90/53/605999053.db2.gz UGDRVXDFNIZADY-ZBEGNZNMSA-N -1 0 337.351 1.803 20 50 EDGDRM CCCN(CCNC(=O)NNC(=O)c1cc(C)oc1C)C(=O)[O-] ZINC000833855433 605999142 /nfs/dbraw/zinc/99/91/42/605999142.db2.gz VMPDJIYSDDJJGM-UHFFFAOYSA-N -1 0 326.353 1.230 20 50 EDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)c2nnc(-c3ccccc3)o2)C1 ZINC000834045948 606051905 /nfs/dbraw/zinc/05/19/05/606051905.db2.gz UWXMJAXTUAZPSS-NSHDSACASA-N -1 0 343.343 1.842 20 50 EDGDRM CC(C)n1nccc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824378105 608579500 /nfs/dbraw/zinc/57/95/00/608579500.db2.gz YMVYDINTXFSMDQ-UHFFFAOYSA-N -1 0 347.770 1.449 20 50 EDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc3ccccc3n2)C1 ZINC000833149418 600870005 /nfs/dbraw/zinc/87/00/05/600870005.db2.gz PWTXBPJBNQBNKN-CHWSQXEVSA-N -1 0 341.367 1.887 20 50 EDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000833116577 600871729 /nfs/dbraw/zinc/87/17/29/600871729.db2.gz GSJHAEBWXGYDQM-NEPJUHHUSA-N -1 0 343.383 1.749 20 50 EDGDRM Cn1cc(C(=O)NNC(=O)c2ccnc(C(=O)[O-])c2)c2ccccc21 ZINC000833042108 601248046 /nfs/dbraw/zinc/24/80/46/601248046.db2.gz VBOWKSOPZNWAJI-UHFFFAOYSA-N -1 0 338.323 1.346 20 50 EDGDRM O=C([O-])c1cc(C(=O)NNC(=O)CCOc2ccccc2)ccn1 ZINC000833103382 601282052 /nfs/dbraw/zinc/28/20/52/601282052.db2.gz YCSSMCXNYVLESJ-UHFFFAOYSA-N -1 0 329.312 1.010 20 50 EDGDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 ZINC000833180127 601440167 /nfs/dbraw/zinc/44/01/67/601440167.db2.gz YQVPHKCGYCUXBE-WDEREUQCSA-N -1 0 339.355 1.191 20 50 EDGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2C(=O)[O-])c1C ZINC000829580289 601608125 /nfs/dbraw/zinc/60/81/25/601608125.db2.gz USFHJZBVHSPHSH-TYWAAFNRSA-N -1 0 345.399 1.734 20 50 EDGDRM O=C([O-])NCCNC(=O)NNC(=O)C1CCC(c2ccccc2)CC1 ZINC000832652488 602944363 /nfs/dbraw/zinc/94/43/63/602944363.db2.gz CDJNSHMJHCTNOZ-UHFFFAOYSA-N -1 0 348.403 1.558 20 50 EDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1 ZINC000832276794 603435266 /nfs/dbraw/zinc/43/52/66/603435266.db2.gz DOKFTGNUMRZUPO-JQWIXIFHSA-N -1 0 339.779 1.466 20 50 EDGDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NNC(=O)NC1CCCCC1 ZINC000826115144 603630363 /nfs/dbraw/zinc/63/03/63/603630363.db2.gz BTBFUODAZYMAGZ-GXSJLCMTSA-N -1 0 342.396 1.153 20 50 EDGDRM N#Cc1ccc(C(=O)NNC(=O)C2(CNC(=O)[O-])CCCC2)cc1 ZINC000831122263 603649034 /nfs/dbraw/zinc/64/90/34/603649034.db2.gz BIDMSIUAEGUOOQ-UHFFFAOYSA-N -1 0 330.344 1.147 20 50 EDGDRM O=C([O-])NCC1(C(=O)NNC(=O)CCOc2ccccc2)CCCC1 ZINC000832443216 603649277 /nfs/dbraw/zinc/64/92/77/603649277.db2.gz VIPMSSJNNRIIKL-UHFFFAOYSA-N -1 0 349.387 1.431 20 50 EDGDRM O=C([O-])NCC1(C(=O)NNC(=O)Cc2ccsc2)CCCC1 ZINC000832443255 603677237 /nfs/dbraw/zinc/67/72/37/603677237.db2.gz WYKVNHOSMPISRN-UHFFFAOYSA-N -1 0 325.390 1.266 20 50 EDGDRM C[C@]1(C(=O)NNc2c(F)c(F)nc(F)c2F)CCN(C(=O)[O-])C1 ZINC000825672225 603861781 /nfs/dbraw/zinc/86/17/81/603861781.db2.gz AGLSVMRUAFRLKQ-LBPRGKRZSA-N -1 0 336.245 1.471 20 50 EDGDRM COc1cc[nH]c(=NNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])n1 ZINC000829651230 603954610 /nfs/dbraw/zinc/95/46/10/603954610.db2.gz YQXSNORYSZLQEI-MNOVXSKESA-N -1 0 337.380 1.535 20 50 EDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)CCOc2ccccc2)C1 ZINC000832276779 603962675 /nfs/dbraw/zinc/96/26/75/603962675.db2.gz DMLLOSXMYBCKHC-RYUDHWBXSA-N -1 0 335.360 1.039 20 50 EDGDRM O=C([O-])NC[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)C1CC1 ZINC000832427049 604041827 /nfs/dbraw/zinc/04/18/27/604041827.db2.gz FRRALAGJTFRXFM-SNVBAGLBSA-N -1 0 332.282 1.776 20 50 EDGDRM CC(C)(C(=O)NNC(=O)CC1(NC(=O)[O-])CCC1)c1ccccc1 ZINC000823743435 604160526 /nfs/dbraw/zinc/16/05/26/604160526.db2.gz GBXDATXEVAULJB-UHFFFAOYSA-N -1 0 333.388 1.692 20 50 EDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1F ZINC000833114481 604263543 /nfs/dbraw/zinc/26/35/43/604263543.db2.gz DFTRXPSBDOTGPQ-UHFFFAOYSA-N -1 0 348.286 1.070 20 50 EDGDRM CCN(CC)c1cc[nH]c(=NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000827052461 604272197 /nfs/dbraw/zinc/27/21/97/604272197.db2.gz SOGYXBOOEDNEBF-MNOVXSKESA-N -1 0 336.396 1.202 20 50 EDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)c1ccc(C#N)cc1 ZINC000832845466 604298243 /nfs/dbraw/zinc/29/82/43/604298243.db2.gz GNQNGRYVAHAZGQ-UHFFFAOYSA-N -1 0 326.312 1.276 20 50 EDGDRM C[C@H]1CC[C@@H](CC(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC000825871343 604304429 /nfs/dbraw/zinc/30/44/29/604304429.db2.gz DTUHAGFVQGUTQM-WDEREUQCSA-N -1 0 326.397 1.286 20 50 EDGDRM O=C([O-])N1CCO[C@H](C(=O)NNc2c(Cl)cccc2Cl)C1 ZINC000831742374 604306442 /nfs/dbraw/zinc/30/64/42/604306442.db2.gz CTNIMPSHVRNNNI-VIFPVBQESA-N -1 0 334.159 1.815 20 50 EDGDRM Cc1cc(F)cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1[N+](=O)[O-] ZINC000833744629 604803833 /nfs/dbraw/zinc/80/38/33/604803833.db2.gz FRZVYAFATAXKKJ-UHFFFAOYSA-N -1 0 334.263 1.892 20 50 EDGDRM COc1ccc(CCC(=O)NNC(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000833731959 605029800 /nfs/dbraw/zinc/02/98/00/605029800.db2.gz RLFIIQBZIQIQBT-UHFFFAOYSA-N -1 0 343.339 1.182 20 50 EDGDRM CC(=O)N[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC000833394836 605244994 /nfs/dbraw/zinc/24/49/94/605244994.db2.gz GWZIEPNONXBRNF-LBPRGKRZSA-N -1 0 327.768 1.642 20 50 EDGDRM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1nccnc1Cl ZINC000831415207 605311507 /nfs/dbraw/zinc/31/15/07/605311507.db2.gz YGKFKNNDHHYHPF-SSDOTTSWSA-N -1 0 331.785 1.059 20 50 EDGDRM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1ncccc1Cl ZINC000831415037 605311788 /nfs/dbraw/zinc/31/17/88/605311788.db2.gz VVCPLEBYNYRBBG-MRVPVSSYSA-N -1 0 330.797 1.664 20 50 EDGDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NNC(=O)c1ccc(C#N)cc1 ZINC000825831206 605520738 /nfs/dbraw/zinc/52/07/38/605520738.db2.gz KKJIMQYQYOWLKW-GXFFZTMASA-N -1 0 345.359 1.033 20 50 EDGDRM COC(=O)c1cnc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000833717720 605609023 /nfs/dbraw/zinc/60/90/23/605609023.db2.gz RRGKMBOFTJOLOU-UHFFFAOYSA-N -1 0 347.239 1.089 20 50 EDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)c1cccc2cccnc21 ZINC000824299300 605676824 /nfs/dbraw/zinc/67/68/24/605676824.db2.gz DRIFBEITHLVADG-ZDUSSCGKSA-N -1 0 344.371 1.678 20 50 EDGDRM O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cccnc1 ZINC000834044508 605738319 /nfs/dbraw/zinc/73/83/19/605738319.db2.gz DOPDYEMZYDGAGJ-TZMCWYRMSA-N -1 0 332.360 1.346 20 50 EDGDRM C[C@]12CCC(=O)N1[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)CS2 ZINC000833577501 605774991 /nfs/dbraw/zinc/77/49/91/605774991.db2.gz JLPWGXWEKYLJKO-ABAIWWIYSA-N -1 0 335.385 1.282 20 50 EDGDRM O=C([O-])NCCCC(=O)NN=C1CCOc2c(F)cc(F)cc21 ZINC000834230466 605801328 /nfs/dbraw/zinc/80/13/28/605801328.db2.gz VTLBEWXVNVSDHT-UHFFFAOYSA-N -1 0 327.287 1.615 20 50 EDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000830871939 605837677 /nfs/dbraw/zinc/83/76/77/605837677.db2.gz YAPPSEQANPMOSK-CABZTGNLSA-N -1 0 342.827 1.999 20 50 EDGDRM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NNc1ccnc(F)c1 ZINC000834046713 605875372 /nfs/dbraw/zinc/87/53/72/605875372.db2.gz BKYYTNDQLQYGCT-CQSZACIVSA-N -1 0 330.319 1.941 20 50 EDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1CCCc2sccc21 ZINC000834231046 605976781 /nfs/dbraw/zinc/97/67/81/605976781.db2.gz KWFADAFTDREBQE-JTQLQIEISA-N -1 0 325.390 1.363 20 50 EDGDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000834171834 606034221 /nfs/dbraw/zinc/03/42/21/606034221.db2.gz GSWGFNMEGAXBJG-NKWVEPMBSA-N -1 0 333.270 1.375 20 50 EDGDRM O=C(N[N-]C(=O)c1cc(-c2nn[nH]n2)cs1)NC1CCCCC1 ZINC000823277611 606554776 /nfs/dbraw/zinc/55/47/76/606554776.db2.gz RTDQXQPFSCOLID-UHFFFAOYSA-N -1 0 335.393 1.205 20 50 EDGDRM Cc1ncccc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826330140 608573836 /nfs/dbraw/zinc/57/38/36/608573836.db2.gz HJEIWNKUVRBJQU-UHFFFAOYSA-N -1 0 330.739 1.375 20 50 EDGDRM COC[C@@H](C)CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826148475 608574796 /nfs/dbraw/zinc/57/47/96/608574796.db2.gz JOKGVTSQIOZCNV-ZETCQYMHSA-N -1 0 325.760 1.031 20 50 EDGDRM COc1ccc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000826187407 608574840 /nfs/dbraw/zinc/57/48/40/608574840.db2.gz OVQPJUINHXKGGX-UHFFFAOYSA-N -1 0 345.750 1.681 20 50 EDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)nc1 ZINC000833311230 601293531 /nfs/dbraw/zinc/29/35/31/601293531.db2.gz DDMQELQCELEQBX-UHFFFAOYSA-N -1 0 337.694 1.647 20 50 EDGDRM N#Cc1cccc([C@H](NNC(=O)[C@@H]2Cc3ccccc3O2)C(=O)[O-])c1 ZINC000833076509 601303671 /nfs/dbraw/zinc/30/36/71/601303671.db2.gz WJTXMRPADFCZOF-HOTGVXAUSA-N -1 0 337.335 1.308 20 50 EDGDRM Cc1cc(NNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)ncn1 ZINC000832898930 601757540 /nfs/dbraw/zinc/75/75/40/601757540.db2.gz ZQDVZWICLCMLOZ-UHFFFAOYSA-N -1 0 330.344 1.622 20 50 EDGDRM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000830088666 602069978 /nfs/dbraw/zinc/06/99/78/602069978.db2.gz GVMHIYYKWPQNKE-MNOVXSKESA-N -1 0 338.360 1.111 20 50 EDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)C1 ZINC000832278365 603438216 /nfs/dbraw/zinc/43/82/16/603438216.db2.gz NDVJBVFNFZFMCC-APPZFPTMSA-N -1 0 341.751 1.243 20 50 EDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)C1CCCC1)Cc1ccccc1 ZINC000832105280 603470068 /nfs/dbraw/zinc/47/00/68/603470068.db2.gz MEONDSVJWMNNMV-CQSZACIVSA-N -1 0 333.388 1.593 20 50 EDGDRM O=C([O-])Nc1ccc(C=NNC(=O)[C@@H]2Cc3ccccc3O2)cn1 ZINC000832837965 603487988 /nfs/dbraw/zinc/48/79/88/603487988.db2.gz CHAFJHPKJLQNRD-ZDUSSCGKSA-N -1 0 326.312 1.625 20 50 EDGDRM COc1cccc(C=C(C#N)C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c1 ZINC000829549668 603627316 /nfs/dbraw/zinc/62/73/16/603627316.db2.gz HGVDOURRTHIZBF-BLMSOEDDSA-N -1 0 344.323 1.467 20 50 EDGDRM C[C@H]1CN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCN1C(=O)[O-] ZINC000826007550 603780784 /nfs/dbraw/zinc/78/07/84/603780784.db2.gz LXQAGPQIIHMDEP-LBPRGKRZSA-N -1 0 348.403 1.389 20 50 EDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNC(=O)c2cccc(Cl)c2)C1 ZINC000831735770 603810884 /nfs/dbraw/zinc/81/08/84/603810884.db2.gz ADPIBQWEYJKRLP-ZDUSSCGKSA-N -1 0 329.715 1.193 20 50 EDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1 ZINC000831558760 603822416 /nfs/dbraw/zinc/82/24/16/603822416.db2.gz VCUSBEZXVOQUHQ-CQSZACIVSA-N -1 0 343.742 1.122 20 50 EDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000830871093 603829179 /nfs/dbraw/zinc/82/91/79/603829179.db2.gz QBHBNFZBHOJJRM-SKDRFNHKSA-N -1 0 342.827 1.857 20 50 EDGDRM Cc1ccc(C)c(OCC(=O)NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)c1 ZINC000830274813 603862905 /nfs/dbraw/zinc/86/29/05/603862905.db2.gz MOHNMPNEQZPDMS-QGZVFWFLSA-N -1 0 349.387 1.220 20 50 EDGDRM Cc1cc(C=NNC(=O)NCCNC(=O)[O-])ccc1Br ZINC000830029421 603888893 /nfs/dbraw/zinc/88/88/93/603888893.db2.gz GJNNNGRKJYBPNM-UHFFFAOYSA-N -1 0 343.181 1.658 20 50 EDGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccccc1O ZINC000826794400 603901303 /nfs/dbraw/zinc/90/13/03/603901303.db2.gz HWOVGBASIQPKNK-SNVBAGLBSA-N -1 0 338.364 1.163 20 50 EDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000831338692 604005505 /nfs/dbraw/zinc/00/55/05/604005505.db2.gz BBXIYFLQEFUXKD-VIFPVBQESA-N -1 0 331.332 1.311 20 50 EDGDRM O=C([O-])NCc1nc(C(=O)NNc2ccc(Cl)nc2)cs1 ZINC000832735090 604032150 /nfs/dbraw/zinc/03/21/50/604032150.db2.gz UTQBJITVHNQKOC-UHFFFAOYSA-N -1 0 327.753 1.716 20 50 EDGDRM O=C([O-])NC[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)C1CC1 ZINC000832427048 604041241 /nfs/dbraw/zinc/04/12/41/604041241.db2.gz FRRALAGJTFRXFM-JTQLQIEISA-N -1 0 332.282 1.776 20 50 EDGDRM O=C([O-])N1CC(CC(=O)NNc2ccc(Br)cc2)C1 ZINC000831366560 604062249 /nfs/dbraw/zinc/06/22/49/604062249.db2.gz OAFWCDITUIBUQZ-UHFFFAOYSA-N -1 0 328.166 1.892 20 50 EDGDRM 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Cc1cccc(OCC(=O)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832971939 604808861 /nfs/dbraw/zinc/80/88/61/604808861.db2.gz BBNQBRFTPBRHIR-UHFFFAOYSA-N -1 0 346.314 1.672 20 50 EDGDRM CCn1c(SCC(=O)NNC(=O)[O-])nnc1-c1cccc(C)c1 ZINC000827693419 605187817 /nfs/dbraw/zinc/18/78/17/605187817.db2.gz AFALLHFDDQBZOQ-UHFFFAOYSA-N -1 0 335.389 1.664 20 50 EDGDRM Cc1ccccc1C(=O)NNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000830553507 605246110 /nfs/dbraw/zinc/24/61/10/605246110.db2.gz IKRGDNQZQQUPIV-UHFFFAOYSA-N -1 0 327.340 1.941 20 50 EDGDRM COc1ccc(NNC(=O)Cc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000833733286 605261823 /nfs/dbraw/zinc/26/18/23/605261823.db2.gz LQNNIOQXJCUXLL-UHFFFAOYSA-N -1 0 345.311 1.987 20 50 EDGDRM Cc1ccc(C(=O)NNC(=O)CN(C(=O)[O-])c2ccccc2)c(O)c1 ZINC000830224893 605269757 /nfs/dbraw/zinc/26/97/57/605269757.db2.gz CHDRBLSTVBOJPH-UHFFFAOYSA-N -1 0 343.339 1.646 20 50 EDGDRM CC(=NNC(=O)c1ccc(N)cc1)c1ccccc1OCC(=O)[O-] ZINC000833385341 605323003 /nfs/dbraw/zinc/32/30/03/605323003.db2.gz 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O=C([O-])NCCNC(=O)NN=Cc1c[nH]nc1-c1ccccc1F ZINC000834243740 606054702 /nfs/dbraw/zinc/05/47/02/606054702.db2.gz RPGMZPPERCGCMQ-UHFFFAOYSA-N -1 0 334.311 1.117 20 50 EDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc(F)ccc1O ZINC000826445911 608575087 /nfs/dbraw/zinc/57/50/87/608575087.db2.gz QORYFVKXGPOGIX-UHFFFAOYSA-N -1 0 349.713 1.517 20 50 EDGDRM O=C([O-])[C@@H](NNC(=O)[C@H]1COCCO1)c1ccc(Cl)cc1Cl ZINC000833149539 600694141 /nfs/dbraw/zinc/69/41/41/600694141.db2.gz SUQKVJMVLICEIE-MNOVXSKESA-N -1 0 349.170 1.155 20 50 EDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)COCc2ccccc2)C1 ZINC000833114293 600964594 /nfs/dbraw/zinc/96/45/94/600964594.db2.gz JCORVDBMIMBHPY-ZIAGYGMSSA-N -1 0 334.372 1.242 20 50 EDGDRM CC(C)(C)C(=O)NNC(=O)CN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000826135091 601017106 /nfs/dbraw/zinc/01/71/06/601017106.db2.gz WPPBGXWQPMYMDS-NSHDSACASA-N -1 0 333.388 1.258 20 50 EDGDRM COc1ccc(NCC(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000832413310 601209135 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C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000824671023 603234763 /nfs/dbraw/zinc/23/47/63/603234763.db2.gz DLFITNUUVZYCBR-LURJTMIESA-N -1 0 334.159 1.801 20 50 EDGDRM C[C@@H](CC(=O)NNC(=O)c1cc2ccccc2cc1O)NC(=O)[O-] ZINC000824670707 603435627 /nfs/dbraw/zinc/43/56/27/603435627.db2.gz AHUYRIBJIZHFBF-VIFPVBQESA-N -1 0 331.328 1.353 20 50 EDGDRM CC(C)(CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)NC(=O)[O-] ZINC000823941534 603460018 /nfs/dbraw/zinc/46/00/18/603460018.db2.gz OFPSVOBJGFCFGH-UHFFFAOYSA-N -1 0 342.783 1.259 20 50 EDGDRM O=C([O-])N(CC(=O)NNc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000831474138 603574489 /nfs/dbraw/zinc/57/44/89/603574489.db2.gz KIYKWABOKSLPJP-SNVBAGLBSA-N -1 0 329.303 1.567 20 50 EDGDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1cc(C)oc1C ZINC000826793247 603886536 /nfs/dbraw/zinc/88/65/36/603886536.db2.gz CHBFYDOADSOGGT-NSHDSACASA-N -1 0 340.380 1.667 20 50 EDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNC(=O)CCCc2cccs2)C1 ZINC000831429398 603892428 /nfs/dbraw/zinc/89/24/28/603892428.db2.gz UJEAOBCKPXENEQ-CQSZACIVSA-N -1 0 343.380 1.310 20 50 EDGDRM COc1cc(C)[nH]c(=NNC(=O)c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000829101991 603965516 /nfs/dbraw/zinc/96/55/16/603965516.db2.gz QFDQODUNUUQZPK-UHFFFAOYSA-N -1 0 335.295 1.780 20 50 EDGDRM N#Cc1ccc(NNC(=O)COCCNC(=O)[O-])cc1C(F)(F)F ZINC000831137320 604226396 /nfs/dbraw/zinc/22/63/96/604226396.db2.gz XDJWTJKYXUXAOH-UHFFFAOYSA-N -1 0 346.265 1.304 20 50 EDGDRM CCc1ccc(C(=O)NNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC000830232199 604264879 /nfs/dbraw/zinc/26/48/79/604264879.db2.gz HEAFYDMCLUYHFS-UHFFFAOYSA-N -1 0 329.356 1.967 20 50 EDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)COc1cccc(C)c1 ZINC000832972032 604265847 /nfs/dbraw/zinc/26/58/47/604265847.db2.gz GCZBTFBTBZBBLG-UHFFFAOYSA-N -1 0 345.355 1.478 20 50 EDGDRM Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830553478 604272993 /nfs/dbraw/zinc/27/29/93/604272993.db2.gz HPMQSJWLKPMMEU-CHWSQXEVSA-N -1 0 348.403 1.718 20 50 EDGDRM 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