smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCOCc1cccc(NC(=O)NNC(=O)[O-])c1C ZINC000830016959 600846535 /nfs/dbraw/zinc/84/65/35/600846535.db2.gz DCDVFLBPQCZGLZ-UHFFFAOYSA-N -1 0 311.338 1.852 20 50 DDGDRM O=C([O-])c1cc(C(=O)NNc2ccccc2[N+](=O)[O-])ccn1 ZINC000833148511 601270233 /nfs/dbraw/zinc/27/02/33/601270233.db2.gz LGWYXOJRDINEJM-UHFFFAOYSA-N -1 0 302.246 1.445 20 50 DDGDRM COc1ccccc1-c1noc([C@H](C)NC(=O)NNC(=O)[O-])n1 ZINC000829585941 603439964 /nfs/dbraw/zinc/43/99/64/603439964.db2.gz NASHYGFYVUGRKR-ZETCQYMHSA-N -1 0 321.293 1.288 20 50 DDGDRM Cc1cc[nH]c(=NNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000830610807 603480377 /nfs/dbraw/zinc/48/03/77/603480377.db2.gz BZRYMJVFZCEACL-CYBMUJFWSA-N -1 0 314.345 1.712 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000824231418 603526977 /nfs/dbraw/zinc/52/69/77/603526977.db2.gz IFRJYZWNESDTIH-UHFFFAOYSA-N -1 0 316.402 1.389 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)C(C)(C)CNC(=O)[O-])cc1 ZINC000827576710 603615503 /nfs/dbraw/zinc/61/55/03/603615503.db2.gz HCCOHLUYQHCZKH-UHFFFAOYSA-N -1 0 307.350 1.304 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000830553502 603673925 /nfs/dbraw/zinc/67/39/25/603673925.db2.gz IFNPBPQRGUJJQV-NSHDSACASA-N -1 0 320.349 1.081 20 50 DDGDRM O=C([O-])NNC(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000832748455 604231688 /nfs/dbraw/zinc/23/16/88/604231688.db2.gz LQBQGHLIVSISJW-UHFFFAOYSA-N -1 0 307.285 1.036 20 50 DDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)CCc1ccco1 ZINC000832845596 604299913 /nfs/dbraw/zinc/29/99/13/604299913.db2.gz IDQMEGHYURSZKY-UHFFFAOYSA-N -1 0 319.317 1.317 20 50 DDGDRM C[C@H](CC(=O)NNc1cccnn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680631 604581245 /nfs/dbraw/zinc/58/12/45/604581245.db2.gz XSDMKNPZYSPQKC-GHMZBOCLSA-N -1 0 307.354 1.336 20 50 DDGDRM C#Cc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)nc1 ZINC000833368550 604647211 /nfs/dbraw/zinc/64/72/11/604647211.db2.gz QILUIWZSHIFEIY-UHFFFAOYSA-N -1 0 311.297 1.527 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)COc1ccc(F)cc1)c1cccnc1 ZINC000833115306 604987868 /nfs/dbraw/zinc/98/78/68/604987868.db2.gz KPQMERTZHUEMOT-AWEZNQCLSA-N -1 0 319.292 1.046 20 50 DDGDRM Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)NNC(=O)[O-])s1 ZINC000830143293 605268110 /nfs/dbraw/zinc/26/81/10/605268110.db2.gz GJTLQTYQULSWPR-SECBINFHSA-N -1 0 321.362 1.267 20 50 DDGDRM Cc1cc(C)c(NNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c(C)c1 ZINC000829990804 605371898 /nfs/dbraw/zinc/37/18/98/605371898.db2.gz IHYLMFFWTAEUIN-GFCCVEGCSA-N -1 0 307.350 1.434 20 50 DDGDRM COc1ccc(NNC(=O)C[C@H](C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829482959 605421960 /nfs/dbraw/zinc/42/19/60/605421960.db2.gz BGDRWEWPRYQADI-ZETCQYMHSA-N -1 0 312.282 1.093 20 50 DDGDRM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NNC(=O)[O-] ZINC000833920741 605425000 /nfs/dbraw/zinc/42/50/00/605425000.db2.gz BTUMTMCGNJDUGZ-RXMQYKEDSA-N -1 0 308.260 1.465 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)COc1ccc2ccccc2c1 ZINC000832605212 605464820 /nfs/dbraw/zinc/46/48/20/605464820.db2.gz MBYQMVQNKUYXRK-UHFFFAOYSA-N -1 0 315.329 1.978 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)CN(C(=O)[O-])C2CC2)c1 ZINC000833970837 605517146 /nfs/dbraw/zinc/51/71/46/605517146.db2.gz UMYXZXHZDFKHNF-UHFFFAOYSA-N -1 0 309.713 1.192 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)CCOc1ccccc1 ZINC000833802771 605625123 /nfs/dbraw/zinc/62/51/23/605625123.db2.gz VYKSJKFUAYRCNY-LLVKDONJSA-N -1 0 307.350 1.994 20 50 DDGDRM CN(CCCNC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)[O-] ZINC000833872181 605646618 /nfs/dbraw/zinc/64/66/18/605646618.db2.gz HAQOXRCQPMADOU-XFXZXTDPSA-N -1 0 305.309 1.849 20 50 DDGDRM N#Cc1cccc(NNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833975862 605716706 /nfs/dbraw/zinc/71/67/06/605716706.db2.gz HBOQTEKEVOEIGH-CYBMUJFWSA-N -1 0 318.333 1.160 20 50 DDGDRM CC(C)CC(=O)NCCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833474037 605723338 /nfs/dbraw/zinc/72/33/38/605723338.db2.gz SSBGLBMXBNAAEA-UHFFFAOYSA-N -1 0 307.350 1.380 20 50 DDGDRM CCc1nc2c(s1)C(=NNC(=O)CCNC(=O)[O-])CCC2 ZINC000833865433 605748658 /nfs/dbraw/zinc/74/86/58/605748658.db2.gz BCFCPLDXEAHCAC-UHFFFAOYSA-N -1 0 310.379 1.520 20 50 DDGDRM O=C([O-])N1CC(CNC(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000834035074 605773885 /nfs/dbraw/zinc/77/38/85/605773885.db2.gz GOVMECVWOPGAGS-UHFFFAOYSA-N -1 0 318.255 1.340 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cc(F)c(F)c(F)c1 ZINC000834228710 605800261 /nfs/dbraw/zinc/80/02/61/605800261.db2.gz OLCUEYLPWZZSHZ-UHFFFAOYSA-N -1 0 303.240 1.602 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)COc1ccc(F)cc1 ZINC000834170588 605859203 /nfs/dbraw/zinc/85/92/03/605859203.db2.gz UYISGRJDBBWVJE-NSHDSACASA-N -1 0 309.297 1.497 20 50 DDGDRM O=C([O-])NCCCCC(=O)NN=c1[nH]cccc1C(F)(F)F ZINC000834233722 605937847 /nfs/dbraw/zinc/93/78/47/605937847.db2.gz CWRDOQWWAPLHOT-UHFFFAOYSA-N -1 0 320.271 1.981 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834044552 606046234 /nfs/dbraw/zinc/04/62/34/606046234.db2.gz FLUPEYRXDCEYTI-JTQLQIEISA-N -1 0 320.305 1.700 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1c(F)cccc1F ZINC000834134524 606079141 /nfs/dbraw/zinc/07/91/41/606079141.db2.gz JIJWOJUUBIUWDG-ZETCQYMHSA-N -1 0 309.219 1.699 20 50 DDGDRM N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[O-])CC1 ZINC000833062007 601413809 /nfs/dbraw/zinc/41/38/09/601413809.db2.gz IPGNJIGONLFQHY-PQMHYQBVSA-N -1 0 302.290 1.755 20 50 DDGDRM N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[O-])CC1 ZINC000833061388 601413895 /nfs/dbraw/zinc/41/38/95/601413895.db2.gz AWCPRTRXWKTMIU-ACAGNQJTSA-N -1 0 302.290 1.755 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832977286 602057962 /nfs/dbraw/zinc/05/79/62/602057962.db2.gz HHPIUFBHASWPBD-ZIAGYGMSSA-N -1 0 318.373 1.576 20 50 DDGDRM C[C@H](NC(=S)NNC(=O)c1cccc(NC(=O)[O-])c1)C1CC1 ZINC000825464012 603611150 /nfs/dbraw/zinc/61/11/50/603611150.db2.gz BILKMMZPYYUKLX-QMMMGPOBSA-N -1 0 322.390 1.684 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NN=c2[nH]ccnc2Cl)C1 ZINC000832325494 603622816 /nfs/dbraw/zinc/62/28/16/603622816.db2.gz MGLBEOXLQQFVQI-YUMQZZPRSA-N -1 0 313.745 1.400 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2ncccc2Cl)o1 ZINC000832702562 603622897 /nfs/dbraw/zinc/62/28/97/603622897.db2.gz SIFDUIAEVXNHFX-UHFFFAOYSA-N -1 0 310.697 1.853 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000824231521 603746703 /nfs/dbraw/zinc/74/67/03/603746703.db2.gz JQELAQLTDACZTO-MNOVXSKESA-N -1 0 314.386 1.189 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)o1 ZINC000824482724 603901645 /nfs/dbraw/zinc/90/16/45/603901645.db2.gz QHHAEJPPVNVUPO-CQSZACIVSA-N -1 0 321.337 1.503 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)CCCN(C)C(=O)[O-])n1 ZINC000830765577 603919611 /nfs/dbraw/zinc/91/96/11/603919611.db2.gz ULRSXHKGNVCDFK-UHFFFAOYSA-N -1 0 301.734 1.272 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000824171393 603934210 /nfs/dbraw/zinc/93/42/10/603934210.db2.gz ZOINQHUFRBCKGI-NEPJUHHUSA-N -1 0 313.398 1.787 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNC(=O)NC1CC1 ZINC000832360171 603966308 /nfs/dbraw/zinc/96/63/08/603966308.db2.gz PZULDSVUWFLSKW-MNOVXSKESA-N -1 0 312.370 1.086 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1 ZINC000831742725 604005494 /nfs/dbraw/zinc/00/54/94/604005494.db2.gz OQJHEMBBWHAAIF-ZETCQYMHSA-N -1 0 318.255 1.686 20 50 DDGDRM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NNC(=O)[O-])CC2 ZINC000830778742 604021085 /nfs/dbraw/zinc/02/10/85/604021085.db2.gz GHDGCXACVBARCX-LURJTMIESA-N -1 0 318.255 1.208 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNc2ccccc2[N+](=O)[O-])CCC1 ZINC000832207371 604059495 /nfs/dbraw/zinc/05/94/95/604059495.db2.gz ZBNVWCGCUQEKRY-UHFFFAOYSA-N -1 0 308.294 1.618 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000824868756 604225947 /nfs/dbraw/zinc/22/59/47/604225947.db2.gz QSUQUWDZYHXYJY-ZCFIWIBFSA-N -1 0 305.256 1.793 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1CC(c2ccc(F)cc2)C1 ZINC000832653496 604305424 /nfs/dbraw/zinc/30/54/24/604305424.db2.gz XSGCXWFXESVQCA-UHFFFAOYSA-N -1 0 308.313 1.626 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNc2ccncc2Cl)cc1F ZINC000833148634 604311689 /nfs/dbraw/zinc/31/16/89/604311689.db2.gz NRJGMURFGTXJBF-UHFFFAOYSA-N -1 0 309.684 1.751 20 50 DDGDRM C[C@]1(C(=O)NN=c2nc[nH]c3ccsc32)CCN(C(=O)[O-])C1 ZINC000825679090 605125460 /nfs/dbraw/zinc/12/54/60/605125460.db2.gz VSERHIBOSLODNP-ZDUSSCGKSA-N -1 0 321.362 1.524 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000830871251 605138650 /nfs/dbraw/zinc/13/86/50/605138650.db2.gz RDFBIJPXKCUSAX-JTQLQIEISA-N -1 0 314.773 1.221 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)[O-] ZINC000833789893 605313089 /nfs/dbraw/zinc/31/30/89/605313089.db2.gz OJEWHHCGBAZJRA-MEBBXXQBSA-N -1 0 313.398 1.787 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000833801650 605624871 /nfs/dbraw/zinc/62/48/71/605624871.db2.gz LFWOLKPHNZIMFP-ZANVPECISA-N -1 0 305.334 1.528 20 50 DDGDRM O=C([O-])N1CCC[C@H](NC(=O)NNc2ccc(Cl)nc2)C1 ZINC000831742842 605663961 /nfs/dbraw/zinc/66/39/61/605663961.db2.gz SLIFMVYJMIENOU-VIFPVBQESA-N -1 0 313.745 1.504 20 50 DDGDRM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NNc1ncc(F)cn1 ZINC000834048486 605692541 /nfs/dbraw/zinc/69/25/41/605692541.db2.gz LYXOHLVWFAFSRX-IEBDPFPHSA-N -1 0 323.328 1.370 20 50 DDGDRM O=C([O-])NCCC(=O)NNc1ccc(F)cc1Br ZINC000834228674 605718260 /nfs/dbraw/zinc/71/82/60/605718260.db2.gz NGCGIHGGKVLEGR-UHFFFAOYSA-N -1 0 320.118 1.689 20 50 DDGDRM N#Cc1ccc(NNC(=O)C[C@@H]2CSCCN2C(=O)[O-])cc1 ZINC000833975715 605719042 /nfs/dbraw/zinc/71/90/42/605719042.db2.gz PGTNPYGVWOSDFX-GFCCVEGCSA-N -1 0 320.374 1.487 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000831742861 605738928 /nfs/dbraw/zinc/73/89/28/605738928.db2.gz SVRVONHWGJVFBR-VIFPVBQESA-N -1 0 303.240 1.689 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCc2c1cc(F)cc2F ZINC000834229024 605800442 /nfs/dbraw/zinc/80/04/42/605800442.db2.gz YFZOLIQVYYPTFU-UHFFFAOYSA-N -1 0 311.288 1.779 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc2ncccc2c1 ZINC000834229666 605973581 /nfs/dbraw/zinc/97/35/81/605973581.db2.gz DRAJZEKMNQFKKN-UHFFFAOYSA-N -1 0 316.317 1.044 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1cccc2cnccc12 ZINC000834243364 605993102 /nfs/dbraw/zinc/99/31/02/605993102.db2.gz LFQLXXYQXSOYPZ-UHFFFAOYSA-N -1 0 301.306 1.136 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1ccccc1 ZINC000833826145 605999057 /nfs/dbraw/zinc/99/90/57/605999057.db2.gz FJMPVMSIVJATKH-BLLLJJGKSA-N -1 0 319.361 1.664 20 50 DDGDRM O=C([O-])C1(CNC(=O)NNC(=O)CCc2ccco2)CCCC1 ZINC000833103489 601414027 /nfs/dbraw/zinc/41/40/27/601414027.db2.gz NXMRLRINEMTLQT-UHFFFAOYSA-N -1 0 323.349 1.188 20 50 DDGDRM O=C(C[C@H]1CCCN1C(=O)[O-])NNC(=O)NC1CCCCC1 ZINC000831334081 603224532 /nfs/dbraw/zinc/22/45/32/603224532.db2.gz KAKIYYULFAODLC-LLVKDONJSA-N -1 0 312.370 1.182 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2F)C1 ZINC000832281071 603429868 /nfs/dbraw/zinc/42/98/68/603429868.db2.gz XKRUUPQYINPDHI-RKDXNWHRSA-N -1 0 309.297 1.023 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2ccc(F)c(F)c2F)C1 ZINC000832277800 603558801 /nfs/dbraw/zinc/55/88/01/603558801.db2.gz KYUGHNHJGWGFAA-NKWVEPMBSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1CC(c2ccccc2F)C1 ZINC000832652674 603631925 /nfs/dbraw/zinc/63/19/25/603631925.db2.gz JFAFCJWBRBRJLL-UHFFFAOYSA-N -1 0 308.313 1.626 20 50 DDGDRM Cc1cc(=NNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)nc(C)[nH]1 ZINC000830123419 603638835 /nfs/dbraw/zinc/63/88/35/603638835.db2.gz VUNHNBFSJRONFE-QWRGUYRKSA-N -1 0 307.354 1.363 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830763874 603735549 /nfs/dbraw/zinc/73/55/49/603735549.db2.gz FPAICDQCQWEHRS-QMMMGPOBSA-N -1 0 313.745 1.272 20 50 DDGDRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NNC(=O)C1CCCC1 ZINC000831307901 603838404 /nfs/dbraw/zinc/83/84/04/603838404.db2.gz JMEZYDDKWOYHQP-VGPLMAKISA-N -1 0 323.393 1.635 20 50 DDGDRM O=C([O-])N[C@H](CNC(=O)NNc1ccccn1)c1ccccc1 ZINC000832135252 603889160 /nfs/dbraw/zinc/88/91/60/603889160.db2.gz JUZNSGIBRHBOPJ-GFCCVEGCSA-N -1 0 315.333 1.717 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NN=c2[nH]cccc2Cl)C1 ZINC000831908335 603897247 /nfs/dbraw/zinc/89/72/47/603897247.db2.gz QEMNBHGNHCWAHL-NSHDSACASA-N -1 0 302.693 1.270 20 50 DDGDRM CN(CCCNC(=O)NNc1ccc(Cl)nc1)C(=O)[O-] ZINC000828294264 604001018 /nfs/dbraw/zinc/00/10/18/604001018.db2.gz XBTQXYDMOCEECC-UHFFFAOYSA-N -1 0 301.734 1.361 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccc(F)cc1 ZINC000833407139 605039217 /nfs/dbraw/zinc/03/92/17/605039217.db2.gz LDCKQXWGUDDOIE-NSHDSACASA-N -1 0 317.320 1.966 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CCC(O)(c2cccc(F)c2)CC1 ZINC000834199794 605307249 /nfs/dbraw/zinc/30/72/49/605307249.db2.gz NJDAXFHXZHDWOG-UHFFFAOYSA-N -1 0 323.324 1.327 20 50 DDGDRM C[C@@H](CC(=O)NN=c1cncc[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824680687 605326101 /nfs/dbraw/zinc/32/61/01/605326101.db2.gz YOIIUVPUQZRHDQ-JTQLQIEISA-N -1 0 307.354 1.336 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1c[nH]nc1-c1c(F)cccc1F ZINC000834199634 605386523 /nfs/dbraw/zinc/38/65/23/605386523.db2.gz GPAPFAAKQGCSFI-UHFFFAOYSA-N -1 0 323.259 1.073 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000832326225 605409371 /nfs/dbraw/zinc/40/93/71/605409371.db2.gz PPXRWDSMDHYWLZ-KOLCDFICSA-N -1 0 322.321 1.864 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1sccc1-c1ccccc1 ZINC000834203424 605468310 /nfs/dbraw/zinc/46/83/10/605468310.db2.gz TVOSXFFANKBCIR-UHFFFAOYSA-N -1 0 319.342 1.444 20 50 DDGDRM O=C([O-])N1CCC(NC(=O)NN=c2cc(Cl)cc[nH]2)CC1 ZINC000834049056 605508937 /nfs/dbraw/zinc/50/89/37/605508937.db2.gz XKUPKFGJMWOKQO-UHFFFAOYSA-N -1 0 313.745 1.504 20 50 DDGDRM O=C([O-])N1CCC[C@H](OCC(=O)NNc2ccc(F)cc2)C1 ZINC000831518299 605608207 /nfs/dbraw/zinc/60/82/07/605608207.db2.gz YSWSWPVDPIKBBE-LBPRGKRZSA-N -1 0 311.313 1.428 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000834150440 605714832 /nfs/dbraw/zinc/71/48/32/605714832.db2.gz DVNXEGACUCXODC-UHFFFAOYSA-N -1 0 308.294 1.618 20 50 DDGDRM C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833536679 605721892 /nfs/dbraw/zinc/72/18/92/605721892.db2.gz UETVCGADRWEGGD-RYUDHWBXSA-N -1 0 322.361 1.802 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccoc1 ZINC000834045976 605742786 /nfs/dbraw/zinc/74/27/86/605742786.db2.gz VFAVKMNBQRRYPV-AAEUAGOBSA-N -1 0 321.333 1.544 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000830568081 605797593 /nfs/dbraw/zinc/79/75/93/605797593.db2.gz XKHKDBWAKRPTSQ-CYBMUJFWSA-N -1 0 321.377 1.367 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)c1cccc(Cl)c1Cl ZINC000834229197 605843955 /nfs/dbraw/zinc/84/39/55/605843955.db2.gz ZYVKWPSPIIMRPP-UHFFFAOYSA-N -1 0 320.132 1.412 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000834228189 605845652 /nfs/dbraw/zinc/84/56/52/605845652.db2.gz DOAYEMRWCRGTKB-UHFFFAOYSA-N -1 0 320.132 1.412 20 50 DDGDRM O=C([O-])N(CC(=O)NN=c1[nH]ccc2sccc21)C1CC1 ZINC000834000920 605989506 /nfs/dbraw/zinc/98/95/06/605989506.db2.gz BRALFHYRNFJWCZ-UHFFFAOYSA-N -1 0 306.347 1.882 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cc(-n2ccnc2)cs1 ZINC000834228227 606081030 /nfs/dbraw/zinc/08/10/30/606081030.db2.gz BGAOINBFBKPJRO-UHFFFAOYSA-N -1 0 321.362 1.432 20 50 DDGDRM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)[O-] ZINC000830032962 601137931 /nfs/dbraw/zinc/13/79/31/601137931.db2.gz WLWUOHGFVBFJSD-UHFFFAOYSA-N -1 0 310.310 1.091 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2O)C1 ZINC000833149171 601209050 /nfs/dbraw/zinc/20/90/50/601209050.db2.gz HDHMNVOSXHBHKX-UWVGGRQHSA-N -1 0 306.318 1.044 20 50 DDGDRM CCOC(=O)C(C#N)=CN[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000829817159 601353113 /nfs/dbraw/zinc/35/31/13/601353113.db2.gz BKVAJKVXZQKVKF-HCYCVZQXSA-N -1 0 318.329 1.771 20 50 DDGDRM COc1cc(OC)cc([C@H](NNC(=O)c2ccc[nH]2)C(=O)[O-])c1 ZINC000832066019 602166064 /nfs/dbraw/zinc/16/60/64/602166064.db2.gz JYBJDQOOAUZHQQ-ZDUSSCGKSA-N -1 0 319.317 1.092 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1CC(=O)NNc1cnnc2ccccc21 ZINC000831339278 603617486 /nfs/dbraw/zinc/61/74/86/603617486.db2.gz GAMVDUGSIAHVBC-SNVBAGLBSA-N -1 0 315.333 1.605 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NN=c2[nH]ccnc2Cl)C1 ZINC000832325493 603622699 /nfs/dbraw/zinc/62/26/99/603622699.db2.gz MGLBEOXLQQFVQI-SFYZADRCSA-N -1 0 313.745 1.400 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)nn2)C1 ZINC000832323743 603634213 /nfs/dbraw/zinc/63/42/13/603634213.db2.gz GGIGPFVWMUPTCL-HTQZYQBOSA-N -1 0 313.745 1.400 20 50 DDGDRM O=C([O-])NNC(=O)NCCc1csc(-c2ccccc2)n1 ZINC000832748041 604011044 /nfs/dbraw/zinc/01/10/44/604011044.db2.gz BVLLCXKBABTZNS-UHFFFAOYSA-N -1 0 306.347 1.834 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNC(=O)Cc2ccc(F)cc2)CCC1 ZINC000832206096 604063771 /nfs/dbraw/zinc/06/37/71/604063771.db2.gz BDOAKQMQJROVEC-UHFFFAOYSA-N -1 0 323.324 1.096 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000830764750 604066751 /nfs/dbraw/zinc/06/67/51/604066751.db2.gz MIOOLKYJVSRGCZ-LBPRGKRZSA-N -1 0 313.745 1.272 20 50 DDGDRM CC(C)N(CCC(=O)NNc1cccnc1Cl)C(=O)[O-] ZINC000824341621 604103756 /nfs/dbraw/zinc/10/37/56/604103756.db2.gz QPUSDFUYCNFREG-UHFFFAOYSA-N -1 0 300.746 1.957 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)C(C)(C)c1ccccc1 ZINC000824868259 604161623 /nfs/dbraw/zinc/16/16/23/604161623.db2.gz LCCCREFWWQIUEI-NSHDSACASA-N -1 0 321.377 1.358 20 50 DDGDRM COCc1ccc(C=NNC(=O)NC2CCN(C(=O)[O-])CC2)o1 ZINC000829040144 604677909 /nfs/dbraw/zinc/67/79/09/604677909.db2.gz JCOVKITUUPSWGH-UHFFFAOYSA-N -1 0 324.337 1.202 20 50 DDGDRM CCCNC(=O)NNC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000826925719 604776816 /nfs/dbraw/zinc/77/68/16/604776816.db2.gz KPMOOENBHOAGFT-SNVBAGLBSA-N -1 0 314.386 1.143 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1cccc(Cl)c1)c1cccnc1 ZINC000833149406 604988465 /nfs/dbraw/zinc/98/84/65/604988465.db2.gz PLISOJUYXUMBGI-LBPRGKRZSA-N -1 0 305.721 1.795 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)COCc1ccccc1)c1cccnc1 ZINC000833114934 605003466 /nfs/dbraw/zinc/00/34/66/605003466.db2.gz YIMUBZPPNLIBQP-OAHLLOKOSA-N -1 0 315.329 1.045 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000830555714 605160268 /nfs/dbraw/zinc/16/02/68/605160268.db2.gz XYBACLNYDCRNPI-NSHDSACASA-N -1 0 305.334 1.146 20 50 DDGDRM C[C@@]1(NS(=O)(=O)CBr)CCCC[C@@H]1C(=O)[O-] ZINC000833571470 605211148 /nfs/dbraw/zinc/21/11/48/605211148.db2.gz ZVSRNOUOSAKXBC-VXNVDRBHSA-N -1 0 314.201 1.292 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)c1ccoc1)c1ccccc1 ZINC000831450732 605284083 /nfs/dbraw/zinc/28/40/83/605284083.db2.gz FZESGGWJZSDSLU-UHFFFAOYSA-N -1 0 303.274 1.225 20 50 DDGDRM Cn1cc(C=NNC(=O)CCNC(=O)[O-])c(C2CCCCC2)n1 ZINC000833946836 605306666 /nfs/dbraw/zinc/30/66/66/605306666.db2.gz JFZKOPHIJIZLCO-UHFFFAOYSA-N -1 0 321.381 1.576 20 50 DDGDRM CC(=NNC(=O)c1ccc[nH]1)c1ccccc1OCC(=O)[O-] ZINC000833385384 605326965 /nfs/dbraw/zinc/32/69/65/605326965.db2.gz XHNFLXBRCFEPFM-UHFFFAOYSA-N -1 0 301.302 1.632 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(F)cc1Br ZINC000834201224 605384358 /nfs/dbraw/zinc/38/43/58/605384358.db2.gz HHRMUHQFIQRELN-UHFFFAOYSA-N -1 0 318.102 1.306 20 50 DDGDRM O=C([O-])NCC(=O)NN=CCCc1c(F)cccc1Cl ZINC000834200173 605387567 /nfs/dbraw/zinc/38/75/67/605387567.db2.gz ZNCFBTQNVOCZNI-UHFFFAOYSA-N -1 0 301.705 1.781 20 50 DDGDRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NN=c2cc(Cl)cc[nH]2)CC1 ZINC000834048800 605475931 /nfs/dbraw/zinc/47/59/31/605475931.db2.gz SNAIUMYIBGLTBU-SNVBAGLBSA-N -1 0 324.768 1.958 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834171732 605508452 /nfs/dbraw/zinc/50/84/52/605508452.db2.gz WGCLEVIYEAZLIW-RKDXNWHRSA-N -1 0 303.322 1.442 20 50 DDGDRM O=C([O-])N1CCC[C@@H](OCC(=O)NNc2ccccc2F)C1 ZINC000834009054 605716829 /nfs/dbraw/zinc/71/68/29/605716829.db2.gz AZFOKKGGQWJLSM-SNVBAGLBSA-N -1 0 311.313 1.428 20 50 DDGDRM CC(C)N1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CC1=O ZINC000833500898 605742856 /nfs/dbraw/zinc/74/28/56/605742856.db2.gz PDLHKSLYDHWOHR-GFCCVEGCSA-N -1 0 320.349 1.020 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cccc(OC(F)F)c1 ZINC000834229077 605798096 /nfs/dbraw/zinc/79/80/96/605798096.db2.gz ZSHNIBMXQQMCIR-UHFFFAOYSA-N -1 0 315.276 1.786 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](C)CNC(=O)[O-] ZINC000833920615 605829541 /nfs/dbraw/zinc/82/95/41/605829541.db2.gz AUYJHAHBLNKSFN-QMMMGPOBSA-N -1 0 316.789 1.372 20 50 DDGDRM N#Cc1ccc(NNC(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)cc1 ZINC000833976875 605963114 /nfs/dbraw/zinc/96/31/14/605963114.db2.gz ZHIDXTPKOVXCQY-ZDUSSCGKSA-N -1 0 314.345 1.781 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000834229955 605973527 /nfs/dbraw/zinc/97/35/27/605973527.db2.gz LMMGWXMBGFCXID-UHFFFAOYSA-N -1 0 322.296 1.116 20 50 DDGDRM N#Cc1cccc(C(=O)NN=C2CCCN(C(=O)[O-])CC2)c1 ZINC000833977838 605992049 /nfs/dbraw/zinc/99/20/49/605992049.db2.gz ZNTLSABCRYKWCL-UHFFFAOYSA-N -1 0 300.318 1.808 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1ccncc1 ZINC000833825406 605997818 /nfs/dbraw/zinc/99/78/18/605997818.db2.gz BROTXPNITVHVLS-IAQYHMDHSA-N -1 0 320.349 1.059 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)CCCc1ccccc1)NC(=O)[O-] ZINC000824672005 602834987 /nfs/dbraw/zinc/83/49/87/602834987.db2.gz PODDNBVMICHTIU-NSHDSACASA-N -1 0 307.350 1.203 20 50 DDGDRM CCCCNC(=O)NNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000826837320 603414138 /nfs/dbraw/zinc/41/41/38/603414138.db2.gz XBRNBFIDNLAJNN-LBPRGKRZSA-N -1 0 322.365 1.168 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000832276511 603449602 /nfs/dbraw/zinc/44/96/02/603449602.db2.gz BLLHWDOGIFLVLG-IUCAKERBSA-N -1 0 308.294 1.474 20 50 DDGDRM Cc1ccnc(NNC(=O)c2csc(CNC(=O)[O-])n2)c1 ZINC000830610768 603480521 /nfs/dbraw/zinc/48/05/21/603480521.db2.gz BJFHPRVVGYSLGM-UHFFFAOYSA-N -1 0 307.335 1.371 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNc1cccnn1)Cc1ccccc1 ZINC000832105546 603636979 /nfs/dbraw/zinc/63/69/79/603636979.db2.gz ONWUDDKSOBIYCA-GFCCVEGCSA-N -1 0 315.333 1.189 20 50 DDGDRM C[C@@H](CC(=O)NNc1cccc(C(F)(F)F)n1)NC(=O)[O-] ZINC000824679404 603657218 /nfs/dbraw/zinc/65/72/18/603657218.db2.gz KRJYZIJVWVEUIL-LURJTMIESA-N -1 0 306.244 1.590 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830763873 603735559 /nfs/dbraw/zinc/73/55/59/603735559.db2.gz FPAICDQCQWEHRS-MRVPVSSYSA-N -1 0 313.745 1.272 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000823754346 603780153 /nfs/dbraw/zinc/78/01/53/603780153.db2.gz INBYJZNVMMJGQG-NXEZZACHSA-N -1 0 314.386 1.189 20 50 DDGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)Cc3ccncc3)c21 ZINC000831561902 603823807 /nfs/dbraw/zinc/82/38/07/603823807.db2.gz AXZOPTWMTBUHKF-UHFFFAOYSA-N -1 0 324.340 1.815 20 50 DDGDRM C[C@@]1(C(=O)NNc2ccccc2[N+](=O)[O-])CCN(C(=O)[O-])C1 ZINC000825677857 603859786 /nfs/dbraw/zinc/85/97/86/603859786.db2.gz KZEOGSJRFBYEKA-CYBMUJFWSA-N -1 0 308.294 1.428 20 50 DDGDRM CCC[C@H](NC(=O)[O-])C(=O)NNc1cc(Cl)nc(C)n1 ZINC000826757703 603918786 /nfs/dbraw/zinc/91/87/86/603918786.db2.gz HVIWGOPMBLUDHW-ZETCQYMHSA-N -1 0 301.734 1.318 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000832276717 604006122 /nfs/dbraw/zinc/00/61/22/604006122.db2.gz DEDBMKGLSOAIGA-NKWVEPMBSA-N -1 0 317.267 1.983 20 50 DDGDRM CC(C)CC(=NNC(=O)NCCNC(=O)[O-])c1ccccn1 ZINC000824164903 604419202 /nfs/dbraw/zinc/41/92/02/604419202.db2.gz RANHQZDGEFVUPC-UHFFFAOYSA-N -1 0 307.354 1.399 20 50 DDGDRM C=CCCO[C@@H](C)C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC000833373883 604646737 /nfs/dbraw/zinc/64/67/37/604646737.db2.gz HUFMVCDHAXFXJD-JTQLQIEISA-N -1 0 308.334 1.818 20 50 DDGDRM O=C([O-])c1ccc(=NNC(=O)COc2ccc(Cl)cc2)[nH]c1 ZINC000833764788 604801553 /nfs/dbraw/zinc/80/15/53/604801553.db2.gz VGVADGNZCCRWRB-UHFFFAOYSA-N -1 0 321.720 1.955 20 50 DDGDRM CCC[C@](C)(NC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000826720377 605125448 /nfs/dbraw/zinc/12/54/48/605125448.db2.gz ICFGUDXSDNBCGG-ZDUSSCGKSA-N -1 0 323.378 1.961 20 50 DDGDRM O=C([O-])NNC(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000834251624 605334483 /nfs/dbraw/zinc/33/44/83/605334483.db2.gz ZXHPQCYOLJYGPO-UHFFFAOYSA-N -1 0 301.705 1.993 20 50 DDGDRM COc1ccc2[nH]c(=NNC(=O)[C@H]3C[C@H]3C(=O)[O-])c(C)cc2c1 ZINC000833735412 605412983 /nfs/dbraw/zinc/41/29/83/605412983.db2.gz ZWCJCZKVACPBLX-NWDGAFQWSA-N -1 0 315.329 1.716 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)CCNC(=O)[O-] ZINC000833922679 605482399 /nfs/dbraw/zinc/48/23/99/605482399.db2.gz QFYUOYDWSCOKHE-MRVPVSSYSA-N -1 0 316.789 1.515 20 50 DDGDRM COc1ccc(Br)c(CC(=O)NNC(=O)[O-])c1 ZINC000829260780 605519473 /nfs/dbraw/zinc/51/94/73/605519473.db2.gz VMXCIIVGLBDKJZ-UHFFFAOYSA-N -1 0 303.112 1.299 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCCN2C(=O)[O-])c1 ZINC000833969730 605544741 /nfs/dbraw/zinc/54/47/41/605544741.db2.gz DGIJBAKMHMQRLJ-QMMMGPOBSA-N -1 0 309.713 1.192 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000833801647 605625025 /nfs/dbraw/zinc/62/50/25/605625025.db2.gz LFWOLKPHNZIMFP-NOZJJQNGSA-N -1 0 305.334 1.528 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000834228076 605750577 /nfs/dbraw/zinc/75/05/77/605750577.db2.gz ZDRSOZSXBTYPKB-UHFFFAOYSA-N -1 0 314.685 1.356 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)NC2CCCC2)c1 ZINC000834267270 605804859 /nfs/dbraw/zinc/80/48/59/605804859.db2.gz VFYCETLESJRHNJ-UHFFFAOYSA-N -1 0 320.349 1.592 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2cccn2C)ccc1NC(=O)[O-] ZINC000829962002 605874472 /nfs/dbraw/zinc/87/44/72/605874472.db2.gz REVJUEVRLDFXHS-UHFFFAOYSA-N -1 0 316.317 1.498 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)NC1CCCC1 ZINC000834274438 606054528 /nfs/dbraw/zinc/05/45/28/606054528.db2.gz MNTGLKWQZRIERF-UHFFFAOYSA-N -1 0 320.349 1.592 20 50 DDGDRM CC(C)(CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)[O-] ZINC000826585941 601671745 /nfs/dbraw/zinc/67/17/45/601671745.db2.gz TYLPCEHXIMQIKR-UHFFFAOYSA-N -1 0 321.377 1.405 20 50 DDGDRM COCC(=O)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000831541285 602300919 /nfs/dbraw/zinc/30/09/19/602300919.db2.gz QYISLIVXYUTRRU-UHFFFAOYSA-N -1 0 302.286 1.741 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1cccc2cccnc21)NC(=O)[O-] ZINC000824672076 602772729 /nfs/dbraw/zinc/77/27/29/602772729.db2.gz QYZDDJNFKSEUKZ-SECBINFHSA-N -1 0 316.317 1.042 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1cccc2ncccc21)NC(=O)[O-] ZINC000824671229 602873453 /nfs/dbraw/zinc/87/34/53/602873453.db2.gz DXHMDQWMSDPVNE-VIFPVBQESA-N -1 0 316.317 1.042 20 50 DDGDRM O=C([O-])Nc1ccc(C=NNC(=O)c2ccccc2O)cn1 ZINC000832841209 603485883 /nfs/dbraw/zinc/48/58/83/603485883.db2.gz SOQANIMHVILYFH-UHFFFAOYSA-N -1 0 300.274 1.641 20 50 DDGDRM CCO[C@@H]1CC(=NNC(=O)NCCNC(=O)[O-])C12CCCC2 ZINC000827381486 603630128 /nfs/dbraw/zinc/63/01/28/603630128.db2.gz SNCQDBQREVUTLH-LLVKDONJSA-N -1 0 312.370 1.278 20 50 DDGDRM O=C([O-])NNC(=O)NCc1csc(CCc2ccccc2)n1 ZINC000832748350 603673010 /nfs/dbraw/zinc/67/30/10/603673010.db2.gz HOZPOMHFXNJPAK-UHFFFAOYSA-N -1 0 320.374 1.910 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000824231838 603746815 /nfs/dbraw/zinc/74/68/15/603746815.db2.gz NNFYHMUYIKZGIT-LLVKDONJSA-N -1 0 314.386 1.238 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)NC2CCCCC2)C1 ZINC000832279955 603938936 /nfs/dbraw/zinc/93/89/36/603938936.db2.gz SZKXWEQBPGUVGD-KOLCDFICSA-N -1 0 312.370 1.086 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NN=c2[nH]cccc2[N+](=O)[O-])C1 ZINC000832324789 604313447 /nfs/dbraw/zinc/31/34/47/604313447.db2.gz ISXSUZYJZLRROI-IUCAKERBSA-N -1 0 323.309 1.259 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000833183888 604709304 /nfs/dbraw/zinc/70/93/04/604709304.db2.gz LOISFDUZIYTKHC-ZJUUUORDSA-N -1 0 307.306 1.929 20 50 DDGDRM CC[C@H](C)OCC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000825075506 607711792 /nfs/dbraw/zinc/71/17/92/607711792.db2.gz OQWJEWNDHPJANZ-QMMMGPOBSA-N -1 0 323.357 1.236 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNC(=O)c2ccccc2O)c1 ZINC000833765766 604811103 /nfs/dbraw/zinc/81/11/03/604811103.db2.gz LGMFCXOYUFJVGI-UHFFFAOYSA-N -1 0 314.297 1.094 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1cccc2ncccc21)c1cccnc1 ZINC000833149050 605001130 /nfs/dbraw/zinc/00/11/30/605001130.db2.gz YQVKTIOWFRTPCQ-HNNXBMFYSA-N -1 0 322.324 1.690 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000833970940 605516552 /nfs/dbraw/zinc/51/65/52/605516552.db2.gz YODGFRKJSWVFOQ-IUCAKERBSA-N -1 0 323.740 1.486 20 50 DDGDRM CC1(C)CCc2cc(C=NNC(=O)NCC(=O)[O-])ccc2O1 ZINC000833561206 605591201 /nfs/dbraw/zinc/59/12/01/605591201.db2.gz UTLJLELOHSEAEE-UHFFFAOYSA-N -1 0 305.334 1.508 20 50 DDGDRM CCCNC(=O)NNC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833855800 605596756 /nfs/dbraw/zinc/59/67/56/605596756.db2.gz NYPXYVGJDHAJGJ-LLVKDONJSA-N -1 0 308.338 1.126 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)Cc1cn2ccccc2n1 ZINC000833801695 605625076 /nfs/dbraw/zinc/62/50/76/605625076.db2.gz LXHSDKFIFZGILL-JTQLQIEISA-N -1 0 317.349 1.415 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000834227899 605750034 /nfs/dbraw/zinc/75/00/34/605750034.db2.gz QSQLPJQZQLUTKC-PBNRZPGNSA-N -1 0 306.278 1.368 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000834227985 605750266 /nfs/dbraw/zinc/75/02/66/605750266.db2.gz VRYCWGVUVMSWMS-UHFFFAOYSA-N -1 0 319.277 1.184 20 50 DDGDRM N#Cc1cccc(NNC(=O)NC[C@@H](NC(=O)[O-])C2CC2)c1 ZINC000833976113 605945593 /nfs/dbraw/zinc/94/55/93/605945593.db2.gz IQLHJWNACLMCPT-GFCCVEGCSA-N -1 0 303.322 1.231 20 50 DDGDRM O=C([O-])NCc1cccc(OS(=O)(=O)CBr)c1 ZINC000834247644 605954769 /nfs/dbraw/zinc/95/47/69/605954769.db2.gz SOHOATTVORBFNH-UHFFFAOYSA-N -1 0 324.152 1.515 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000834230496 605973994 /nfs/dbraw/zinc/97/39/94/605973994.db2.gz FNTAJXPURCVUSX-QWHCGFSZSA-N -1 0 319.361 1.060 20 50 DDGDRM CC1CC(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)C1 ZINC000824867637 608575473 /nfs/dbraw/zinc/57/54/73/608575473.db2.gz PWWMVFAZQQOZCI-UHFFFAOYSA-N -1 0 307.745 1.404 20 50 DDGDRM N#Cc1ccc(C(=O)NN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000833072292 600746028 /nfs/dbraw/zinc/74/60/28/600746028.db2.gz RDHHDFVNPCQMSG-AWEZNQCLSA-N -1 0 313.288 1.758 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1 ZINC000833102168 600919388 /nfs/dbraw/zinc/91/93/88/600919388.db2.gz FEACXYPCLPEADQ-KBPBESRZSA-N -1 0 318.373 1.658 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNc2cnnc3ccccc32)C1 ZINC000833184339 601210850 /nfs/dbraw/zinc/21/08/50/601210850.db2.gz QBQMXDBYJKOEAH-QWRGUYRKSA-N -1 0 314.345 1.964 20 50 DDGDRM N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833062508 601556387 /nfs/dbraw/zinc/55/63/87/601556387.db2.gz MPIJKNYMTYXMMP-WTKLMOFPSA-N -1 0 305.265 1.958 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000827304616 602068566 /nfs/dbraw/zinc/06/85/66/602068566.db2.gz YNCVMGLFOHFNIS-LDWCXNJISA-N -1 0 308.378 1.461 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc2ncccc21 ZINC000827303458 602152268 /nfs/dbraw/zinc/15/22/68/602152268.db2.gz FPKGSZHIPCZXGS-VIFPVBQESA-N -1 0 301.302 1.107 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)Nc1ccc(N(C)C)cc1 ZINC000827304639 602266048 /nfs/dbraw/zinc/26/60/48/602266048.db2.gz YVMVHQXUGBYYBA-SECBINFHSA-N -1 0 308.338 1.016 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1cccc2cccnc21)NC(=O)[O-] ZINC000824672077 602772740 /nfs/dbraw/zinc/77/27/40/602772740.db2.gz QYZDDJNFKSEUKZ-VIFPVBQESA-N -1 0 316.317 1.042 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)NC(=O)[O-] ZINC000824671805 603225391 /nfs/dbraw/zinc/22/53/91/603225391.db2.gz MDNDHFRWCCNCOM-SNVBAGLBSA-N -1 0 321.377 1.791 20 50 DDGDRM CCOCCOc1cc(C)ccc1CNC(=O)NNC(=O)[O-] ZINC000827405290 603528032 /nfs/dbraw/zinc/52/80/32/603528032.db2.gz NGMUMMOIZPYITQ-UHFFFAOYSA-N -1 0 311.338 1.392 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)o1 ZINC000824481652 603531113 /nfs/dbraw/zinc/53/11/13/603531113.db2.gz BQAZXYVFQIMROL-IUCAKERBSA-N -1 0 321.337 1.549 20 50 DDGDRM CCO[C@H]1CC(=NNC(=O)NCCNC(=O)[O-])C12CCCC2 ZINC000827381488 603630244 /nfs/dbraw/zinc/63/02/44/603630244.db2.gz SNCQDBQREVUTLH-NSHDSACASA-N -1 0 312.370 1.278 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833421817 604562098 /nfs/dbraw/zinc/56/20/98/604562098.db2.gz FYTYKNWIORTWFY-UHFFFAOYSA-N -1 0 307.350 1.304 20 50 DDGDRM CC(=NNC(=O)Nc1ccccc1C)c1cn(CC(=O)[O-])nn1 ZINC000825798568 604784319 /nfs/dbraw/zinc/78/43/19/604784319.db2.gz OTEKEELTKDGDAM-UHFFFAOYSA-N -1 0 316.321 1.217 20 50 DDGDRM C[C@@H](OCc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833535333 604803227 /nfs/dbraw/zinc/80/32/27/604803227.db2.gz HJYADKWJRUPENR-LLVKDONJSA-N -1 0 315.329 1.828 20 50 DDGDRM Cn1cc(C(=O)NN[C@@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000833042067 604987938 /nfs/dbraw/zinc/98/79/38/604987938.db2.gz UQBQBRCAJVZBDR-OAHLLOKOSA-N -1 0 324.340 1.634 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NN=c1nc[nH]c2ccsc21 ZINC000831742882 605126319 /nfs/dbraw/zinc/12/63/19/605126319.db2.gz UOZDETJXIBINTJ-QMMMGPOBSA-N -1 0 307.335 1.277 20 50 DDGDRM CN(C)c1cc(C(=O)NNc2ccccc2C(=O)[O-])ccn1 ZINC000833691154 605261152 /nfs/dbraw/zinc/26/11/52/605261152.db2.gz MJVIFXFMQHIWNT-UHFFFAOYSA-N -1 0 300.318 1.603 20 50 DDGDRM O=C([O-])N1CC[C@H](C(=O)NN=c2ccc3ccccc3[nH]2)C1 ZINC000834046569 605321754 /nfs/dbraw/zinc/32/17/54/605321754.db2.gz ASEBRCOCPACSKV-NSHDSACASA-N -1 0 300.318 1.678 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833970911 605515423 /nfs/dbraw/zinc/51/54/23/605515423.db2.gz XHANQFKVNHKYLT-VIFPVBQESA-N -1 0 323.740 1.440 20 50 DDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNc1ccccc1[N+](=O)[O-] ZINC000823851056 605572739 /nfs/dbraw/zinc/57/27/39/605572739.db2.gz VPVURYACWMEGNP-SNVBAGLBSA-N -1 0 310.310 1.720 20 50 DDGDRM CCCNC(=O)NNC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000833855801 605596887 /nfs/dbraw/zinc/59/68/87/605596887.db2.gz NYPXYVGJDHAJGJ-NSHDSACASA-N -1 0 308.338 1.126 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1 ZINC000834049286 605737427 /nfs/dbraw/zinc/73/74/27/605737427.db2.gz ZNAOSVQSEGUUKD-SNVBAGLBSA-N -1 0 315.276 1.874 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000834227866 605749815 /nfs/dbraw/zinc/74/98/15/605749815.db2.gz PRFHQIIYVMLABU-UHFFFAOYSA-N -1 0 314.685 1.356 20 50 DDGDRM Cc1nc2sccn2c1C=NNC(=O)CCCNC(=O)[O-] ZINC000833914823 605796556 /nfs/dbraw/zinc/79/65/56/605796556.db2.gz FQMOTTCZQRYASQ-UHFFFAOYSA-N -1 0 309.351 1.202 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(-n2ccnc2)cc1 ZINC000834228975 605800482 /nfs/dbraw/zinc/80/04/82/605800482.db2.gz WEFSPFWJVIQCFU-UHFFFAOYSA-N -1 0 315.333 1.370 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNc2nccnc2Cl)c1 ZINC000834267269 605844929 /nfs/dbraw/zinc/84/49/29/605844929.db2.gz VEOUIURFFFXZEP-UHFFFAOYSA-N -1 0 321.724 1.906 20 50 DDGDRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2cccnc2Cl)CC1 ZINC000834046681 605948838 /nfs/dbraw/zinc/94/88/38/605948838.db2.gz BBECCQOTBSJNFT-SECBINFHSA-N -1 0 324.768 1.958 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1CSc2ccccc21 ZINC000834230606 605979817 /nfs/dbraw/zinc/97/98/17/605979817.db2.gz GXINSSZDROZOFE-JTQLQIEISA-N -1 0 323.374 1.071 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000834045668 606051848 /nfs/dbraw/zinc/05/18/48/606051848.db2.gz RYIMUJOKARNCHC-SMDDNHRTSA-N -1 0 317.345 1.482 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(O)c1 ZINC000832912131 601209715 /nfs/dbraw/zinc/20/97/15/601209715.db2.gz VEKQEDRPFVMQHN-WDEREUQCSA-N -1 0 320.345 1.353 20 50 DDGDRM CC(C)CC(=O)NNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000826754193 601329791 /nfs/dbraw/zinc/32/97/91/601329791.db2.gz KQXXFZSLZARTBT-UHFFFAOYSA-N -1 0 317.345 1.533 20 50 DDGDRM Cc1cccc(OCC(=O)NN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000832972324 601452100 /nfs/dbraw/zinc/45/21/00/601452100.db2.gz XVGOWFSMRSMQCL-INIZCTEOSA-N -1 0 314.341 1.821 20 50 DDGDRM COc1cc(OC)cc([C@H](NNC(=O)C2CCCC2)C(=O)[O-])c1 ZINC000832056675 602167392 /nfs/dbraw/zinc/16/73/92/602167392.db2.gz HCPUPCONUALORB-AWEZNQCLSA-N -1 0 322.361 1.641 20 50 DDGDRM O=C([O-])NNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000832748030 603452652 /nfs/dbraw/zinc/45/26/52/603452652.db2.gz BKXZRNCFNGHTFR-UHFFFAOYSA-N -1 0 304.056 1.270 20 50 DDGDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NNC(=O)OC(C)(C)C ZINC000824195725 603657239 /nfs/dbraw/zinc/65/72/39/603657239.db2.gz CBSWKQCGHCFTAA-SECBINFHSA-N -1 0 318.374 1.408 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000829102322 603968093 /nfs/dbraw/zinc/96/80/93/603968093.db2.gz WUNMBKXNZOERLW-UWVGGRQHSA-N -1 0 323.353 1.063 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNC(=O)C1CCC1 ZINC000832350924 603985820 /nfs/dbraw/zinc/98/58/20/603985820.db2.gz YNSQEBBJSLWSSJ-NWDGAFQWSA-N -1 0 311.382 1.541 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830586085 604031854 /nfs/dbraw/zinc/03/18/54/604031854.db2.gz JEHWYLMBJFRVJV-MNOVXSKESA-N -1 0 320.349 1.584 20 50 DDGDRM CC(=NNC(=O)NCC(F)(F)F)[C@@H]1CCCCN1C(=O)[O-] ZINC000823528285 604087145 /nfs/dbraw/zinc/08/71/45/604087145.db2.gz RHIMJKVLBYBZFG-QMMMGPOBSA-N -1 0 310.276 1.756 20 50 DDGDRM CC(=O)Nc1cc(C(=O)NNC(=O)[O-])cc(C(F)(F)F)c1 ZINC000823592817 604418392 /nfs/dbraw/zinc/41/83/92/604418392.db2.gz SNQUMQYDHKXFRO-UHFFFAOYSA-N -1 0 305.212 1.576 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000830871252 604487270 /nfs/dbraw/zinc/48/72/70/604487270.db2.gz RDFBIJPXKCUSAX-SNVBAGLBSA-N -1 0 314.773 1.221 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CCCN(C)C(=O)[O-] ZINC000830566746 604496967 /nfs/dbraw/zinc/49/69/67/604496967.db2.gz FYOXMYDWVSOTSE-UHFFFAOYSA-N -1 0 307.350 1.075 20 50 DDGDRM CC(C)(C)NC(=S)NNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833430497 604806840 /nfs/dbraw/zinc/80/68/40/604806840.db2.gz FJNWZOPYKNGJRL-UHFFFAOYSA-N -1 0 309.391 1.221 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)CCOc1ccccc1)c1cccnc1 ZINC000833103380 604997470 /nfs/dbraw/zinc/99/74/70/604997470.db2.gz YBWQIRYEJDXECO-OAHLLOKOSA-N -1 0 315.329 1.297 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(CSC(F)F)o1 ZINC000834202351 605385373 /nfs/dbraw/zinc/38/53/73/605385373.db2.gz WCBSOALVWQTCIC-UHFFFAOYSA-N -1 0 307.278 1.453 20 50 DDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NN=c1cc(Cl)cc[nH]1 ZINC000833482203 605410253 /nfs/dbraw/zinc/41/02/53/605410253.db2.gz ZJLBFTUSGMYESC-SECBINFHSA-N -1 0 300.746 1.860 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NN=c2cc(Cl)cc[nH]2)C1 ZINC000834083189 605475782 /nfs/dbraw/zinc/47/57/82/605475782.db2.gz HKBKSZUJWDEUKY-LLVKDONJSA-N -1 0 302.693 1.270 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])c1 ZINC000833970985 605545238 /nfs/dbraw/zinc/54/52/38/605545238.db2.gz ZWASRTSKJHYYRF-RKDXNWHRSA-N -1 0 323.740 1.486 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)NCC1CC1)c1ccccc1 ZINC000834126783 605599271 /nfs/dbraw/zinc/59/92/71/605599271.db2.gz MGFNPLAROHBHPI-LBPRGKRZSA-N -1 0 320.349 1.126 20 50 DDGDRM O=C([O-])NNC(=O)Nc1ccc(I)cc1 ZINC000834250346 605675371 /nfs/dbraw/zinc/67/53/71/605675371.db2.gz HATZQUPHRLKPMQ-UHFFFAOYSA-N -1 0 321.074 1.595 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1ccc(Cl)nc1 ZINC000833454484 605700543 /nfs/dbraw/zinc/70/05/43/605700543.db2.gz KUEBFQGIOSXDHF-UHFFFAOYSA-N -1 0 313.741 1.387 20 50 DDGDRM COC(=O)c1cncc(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833717835 605733933 /nfs/dbraw/zinc/73/39/33/605733933.db2.gz UJMNKLSNAWOPFJ-UHFFFAOYSA-N -1 0 315.285 1.323 20 50 DDGDRM O=C([O-])N[C@H]1CC(=NNC(=O)c2ccncc2)c2ccccc21 ZINC000834157400 605739888 /nfs/dbraw/zinc/73/98/88/605739888.db2.gz JEWLDPOVNPTUBM-ZDUSSCGKSA-N -1 0 310.313 1.928 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1nccc2ccccc21 ZINC000834228544 605799761 /nfs/dbraw/zinc/79/97/61/605799761.db2.gz KWNUYPOUBUYSBO-UHFFFAOYSA-N -1 0 300.318 1.733 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1 ZINC000834232851 605814413 /nfs/dbraw/zinc/81/44/13/605814413.db2.gz ZRKISKUJWACEJJ-UHFFFAOYSA-N -1 0 316.264 1.165 20 50 DDGDRM CC[C@@H]1CCC[C@H](NC(=O)NNC(=O)CCCNC(=O)[O-])C1 ZINC000833846412 605820787 /nfs/dbraw/zinc/82/07/87/605820787.db2.gz RUALMMXKKBMGMK-MNOVXSKESA-N -1 0 314.386 1.333 20 50 DDGDRM CCCN(CCNC(=O)NNc1cccc(C#N)c1)C(=O)[O-] ZINC000833855088 606015938 /nfs/dbraw/zinc/01/59/38/606015938.db2.gz MSAGJVIPNOEEOD-UHFFFAOYSA-N -1 0 305.338 1.574 20 50 DDGDRM CC(=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CC1 ZINC000823944001 608575618 /nfs/dbraw/zinc/57/56/18/608575618.db2.gz WTHQIHVLIGCVOH-DAXSKMNVSA-N -1 0 319.756 1.715 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@H]1CC=CCC1 ZINC000826445568 608580137 /nfs/dbraw/zinc/58/01/37/608580137.db2.gz ZNBAJESNXMZSDX-QMMMGPOBSA-N -1 0 319.756 1.715 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1 ZINC000833118625 600943078 /nfs/dbraw/zinc/94/30/78/600943078.db2.gz LYNWZIKOTZXUHU-NWDGAFQWSA-N -1 0 322.336 1.407 20 50 DDGDRM O=C([O-])NNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000833281420 601138221 /nfs/dbraw/zinc/13/82/21/601138221.db2.gz ZPNCTNVZGVHFGQ-HXUWFJFHSA-N -1 0 311.241 1.618 20 50 DDGDRM COc1cc(C(=O)[O-])c(NC=C(C#N)C#N)c(OC)c1OC ZINC000831882999 601350402 /nfs/dbraw/zinc/35/04/02/601350402.db2.gz YCKJOLQHCWVBJA-UHFFFAOYSA-N -1 0 303.274 1.754 20 50 DDGDRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C1CC1 ZINC000833169561 601389537 /nfs/dbraw/zinc/38/95/37/601389537.db2.gz VHNZDFVWYYFIQD-GFCCVEGCSA-N -1 0 317.794 1.609 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CC(C)C)cc(C)c1OCC(=O)[O-] ZINC000832864306 601675174 /nfs/dbraw/zinc/67/51/74/601675174.db2.gz AJZRGGNJJMTHON-UHFFFAOYSA-N -1 0 322.361 1.574 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000830232439 601686059 /nfs/dbraw/zinc/68/60/59/601686059.db2.gz VMSSPQBVPBITDK-UHFFFAOYSA-N -1 0 307.350 1.304 20 50 DDGDRM N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000833062643 601789522 /nfs/dbraw/zinc/78/95/22/601789522.db2.gz CZTYFANIRSXCMQ-RIYZIHGNSA-N -1 0 309.325 1.979 20 50 DDGDRM COCC(=O)NN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831540875 602306044 /nfs/dbraw/zinc/30/60/44/602306044.db2.gz HHZLIKNPGWLNLB-JTQLQIEISA-N -1 0 307.133 1.386 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NN=c2[nH]cccc2[N+](=O)[O-])C1 ZINC000833183902 602323727 /nfs/dbraw/zinc/32/37/27/602323727.db2.gz LXFDASIIZQFHSO-DTWKUNHWSA-N -1 0 308.294 1.324 20 50 DDGDRM C[C@H](C(=O)NNc1cnccn1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823704806 603620494 /nfs/dbraw/zinc/62/04/94/603620494.db2.gz UCFWYZCLCUELMG-GWCFXTLKSA-N -1 0 315.333 1.565 20 50 DDGDRM Cc1ccccc1C1CC(=NNC(=O)NCCNC(=O)[O-])C1 ZINC000830560172 603631250 /nfs/dbraw/zinc/63/12/50/603631250.db2.gz SSYOESVNDJHPIP-UHFFFAOYSA-N -1 0 304.350 1.795 20 50 DDGDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNc1ccc(F)cn1 ZINC000826795293 603892381 /nfs/dbraw/zinc/89/23/81/603892381.db2.gz OJMJONGNPUQVIG-JTQLQIEISA-N -1 0 313.333 1.673 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@H](NC(=O)[O-])C(C)C)n1 ZINC000830763656 603919827 /nfs/dbraw/zinc/91/98/27/603919827.db2.gz CCKNLIVNLNSLKG-SECBINFHSA-N -1 0 301.734 1.174 20 50 DDGDRM N#Cc1cccc(NNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000831153052 604176258 /nfs/dbraw/zinc/17/62/58/604176258.db2.gz VWHPZUDEVYGPGB-YPMHNXCESA-N -1 0 317.349 1.621 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NN=c1[nH]ccc2sccc21 ZINC000824867239 604220546 /nfs/dbraw/zinc/22/05/46/604220546.db2.gz BUGMNSQXBLCRHD-QMMMGPOBSA-N -1 0 308.363 1.985 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824170684 604297605 /nfs/dbraw/zinc/29/76/05/604297605.db2.gz QRDSSSUUJVEJQF-NWDGAFQWSA-N -1 0 313.398 1.596 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832977131 604478958 /nfs/dbraw/zinc/47/89/58/604478958.db2.gz NBPBUOKYGNESBI-LLVKDONJSA-N -1 0 305.334 1.289 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000830567766 604496950 /nfs/dbraw/zinc/49/69/50/604496950.db2.gz ULIGTIYARBDYSP-ZDUSSCGKSA-N -1 0 319.361 1.075 20 50 DDGDRM Cc1[nH]c(C(=O)NNc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000833739640 604936329 /nfs/dbraw/zinc/93/63/29/604936329.db2.gz GADUFSXLVNDFKQ-UHFFFAOYSA-N -1 0 318.289 1.995 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(O)cc1 ZINC000833405083 605037866 /nfs/dbraw/zinc/03/78/66/605037866.db2.gz CAQFAVKEIPZKBM-SNVBAGLBSA-N -1 0 301.302 1.603 20 50 DDGDRM CNC(=O)C1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000833699067 605247959 /nfs/dbraw/zinc/24/79/59/605247959.db2.gz FABNUEUYZXNAAQ-UHFFFAOYSA-N -1 0 311.725 1.008 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833481328 605390994 /nfs/dbraw/zinc/39/09/94/605390994.db2.gz SBVJIFWFBVYPMC-UHFFFAOYSA-N -1 0 313.398 1.788 20 50 DDGDRM COCCC[C@H](C)C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC000833725344 605406196 /nfs/dbraw/zinc/40/61/96/605406196.db2.gz UTQRCUSKLXFMCW-JTQLQIEISA-N -1 0 310.350 1.899 20 50 DDGDRM CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1cnccn1 ZINC000824759265 605473932 /nfs/dbraw/zinc/47/39/32/605473932.db2.gz KAVIKYGWEQUCLZ-LBPRGKRZSA-N -1 0 319.365 1.895 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834170055 605508610 /nfs/dbraw/zinc/50/86/10/605508610.db2.gz PVYRCXDYWQTTFZ-ZJUUUORDSA-N -1 0 317.349 1.832 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1 ZINC000832106034 605570393 /nfs/dbraw/zinc/57/03/93/605570393.db2.gz UFLODKTZRPZYJW-LBPRGKRZSA-N -1 0 316.317 1.175 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000824170868 605576581 /nfs/dbraw/zinc/57/65/81/605576581.db2.gz TYMOIUWYACHICI-LBPRGKRZSA-N -1 0 307.350 1.579 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNc1cnccn1 ZINC000832359630 605612349 /nfs/dbraw/zinc/61/23/49/605612349.db2.gz NYHSMQSIDVSOFK-WDEREUQCSA-N -1 0 307.354 1.526 20 50 DDGDRM CC(C)c1nnc(CCC(=O)NNc2ccccc2C(=O)[O-])o1 ZINC000833511806 605724051 /nfs/dbraw/zinc/72/40/51/605724051.db2.gz GQLUYTPBTDZKGK-UHFFFAOYSA-N -1 0 318.333 1.967 20 50 DDGDRM CC(C)CN1C[C@@H](C(=O)NNc2ccccc2C(=O)[O-])CC1=O ZINC000833489837 605724100 /nfs/dbraw/zinc/72/41/00/605724100.db2.gz VCPBFJCOXOZTGE-NSHDSACASA-N -1 0 319.361 1.332 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1ccc[nH]1 ZINC000834046154 605741462 /nfs/dbraw/zinc/74/14/62/605741462.db2.gz YEJOVAYSXCZQDA-ZWNOBZJWSA-N -1 0 320.349 1.279 20 50 DDGDRM CCN(CCCNC(=O)NN=c1cccc(OC)[nH]1)C(=O)[O-] ZINC000833858947 605761690 /nfs/dbraw/zinc/76/16/90/605761690.db2.gz VOLSHMDNCZQJIW-UHFFFAOYSA-N -1 0 311.342 1.106 20 50 DDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000823849520 605798368 /nfs/dbraw/zinc/79/83/68/605798368.db2.gz CBOTZKIKRVHOFI-SECBINFHSA-N -1 0 323.378 1.817 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)NC2CCCC2)ccc1NC(=O)[O-] ZINC000829961184 605809948 /nfs/dbraw/zinc/80/99/48/605809948.db2.gz BCPNSPBTBJIQAR-UHFFFAOYSA-N -1 0 320.349 1.972 20 50 DDGDRM O=C([O-])Nc1ncccc1C=NNC(=O)NCC(F)(F)F ZINC000834280888 605955792 /nfs/dbraw/zinc/95/57/92/605955792.db2.gz WIUFNLWRAGKQLT-UHFFFAOYSA-N -1 0 305.216 1.367 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1 ZINC000834002119 605960834 /nfs/dbraw/zinc/96/08/34/605960834.db2.gz XFIGDEBJLYHBIV-UHFFFAOYSA-N -1 0 311.725 1.243 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1CCCc2ccccc21 ZINC000834232363 605974588 /nfs/dbraw/zinc/97/45/88/605974588.db2.gz ZKOJRAQYXNUOKJ-CYBMUJFWSA-N -1 0 319.361 1.302 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)Cc1ccccc1NC(=O)[O-] ZINC000833789199 606082572 /nfs/dbraw/zinc/08/25/72/606082572.db2.gz IHZJMCKZTUDIPH-UHFFFAOYSA-N -1 0 307.350 1.903 20 50 DDGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H]2CC2(C)C)o1 ZINC000824353258 607806308 /nfs/dbraw/zinc/80/63/08/607806308.db2.gz ZVMHNSWFEYBEEA-SSDOTTSWSA-N -1 0 305.342 1.467 20 50 DDGDRM CCOCC(=O)NN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829938719 600748803 /nfs/dbraw/zinc/74/88/03/600748803.db2.gz GNXYLXFLTXELJX-NSHDSACASA-N -1 0 321.160 1.776 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1 ZINC000833149299 600870886 /nfs/dbraw/zinc/87/08/86/600870886.db2.gz MAZFVOSFGMYRTH-GXSJLCMTSA-N -1 0 324.764 1.992 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2O)C1 ZINC000833149173 601208958 /nfs/dbraw/zinc/20/89/58/601208958.db2.gz HDHMNVOSXHBHKX-ZJUUUORDSA-N -1 0 306.318 1.044 20 50 DDGDRM Cc1ccccc1C(=O)NN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832976840 601298650 /nfs/dbraw/zinc/29/86/50/601298650.db2.gz GHHWJADHWLYVCW-OAHLLOKOSA-N -1 0 309.325 1.927 20 50 DDGDRM C/C(=C\COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)[O-] ZINC000825745614 601413171 /nfs/dbraw/zinc/41/31/71/601413171.db2.gz ASKALMGLLFGHMG-RPGDPGDJSA-N -1 0 313.313 1.686 20 50 DDGDRM C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cnn(C)c1 ZINC000826071555 601447821 /nfs/dbraw/zinc/44/78/21/601447821.db2.gz MPTNWCZQAZEULL-QMMMGPOBSA-N -1 0 319.273 1.736 20 50 DDGDRM CCOC(=O)NNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000829865452 601673787 /nfs/dbraw/zinc/67/37/87/601673787.db2.gz DGORWYIAUMZNDD-UHFFFAOYSA-N -1 0 310.306 1.158 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000832980419 602056503 /nfs/dbraw/zinc/05/65/03/602056503.db2.gz FCPJFACVJWDVOT-UHFFFAOYSA-N -1 0 313.313 1.092 20 50 DDGDRM C[C@H](CC(=O)NNc1c(F)c(F)nc(F)c1F)NC(=O)[O-] ZINC000824678648 603225475 /nfs/dbraw/zinc/22/54/75/603225475.db2.gz DMSVZLQCHSGZNG-GSVOUGTGSA-N -1 0 310.207 1.127 20 50 DDGDRM C[C@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000824680747 603346754 /nfs/dbraw/zinc/34/67/54/603346754.db2.gz ZJHHMODTRXEQJZ-ZCFIWIBFSA-N -1 0 316.701 1.738 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c(C)o1 ZINC000829956876 603430098 /nfs/dbraw/zinc/43/00/98/603430098.db2.gz OXBHHJZNSRGBJJ-NXEZZACHSA-N -1 0 309.322 1.094 20 50 DDGDRM CC(C)C(=O)NNC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000824043817 603435022 /nfs/dbraw/zinc/43/50/22/603435022.db2.gz MHYPXIYYAKSUOQ-LBPRGKRZSA-N -1 0 307.350 1.059 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1F)NC(=O)[O-] ZINC000824671028 603512797 /nfs/dbraw/zinc/51/27/97/603512797.db2.gz DNLFPZQTYQIIEV-ZCFIWIBFSA-N -1 0 317.704 1.286 20 50 DDGDRM O=C([O-])Nc1ccc(C(=O)NN=c2nc[nH]c3nc[nH]c32)cc1 ZINC000832839064 603642489 /nfs/dbraw/zinc/64/24/89/603642489.db2.gz PTMHBNXDLOLRML-UHFFFAOYSA-N -1 0 313.277 1.200 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccncc2Cl)o1 ZINC000832702308 603805653 /nfs/dbraw/zinc/80/56/53/603805653.db2.gz OMJAKKQHVOSPAF-UHFFFAOYSA-N -1 0 310.697 1.274 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)COc2ccccc2F)CC1 ZINC000831544679 603856464 /nfs/dbraw/zinc/85/64/64/603856464.db2.gz AQLTVXMJRKUTJY-UHFFFAOYSA-N -1 0 323.324 1.697 20 50 DDGDRM Cc1ccc(NNC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nn1 ZINC000830396177 603883417 /nfs/dbraw/zinc/88/34/17/603883417.db2.gz VKGMFZKSKFSSCG-FGWVZKOKSA-N -1 0 320.353 1.085 20 50 DDGDRM N#Cc1cccc(NNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000831153050 604176221 /nfs/dbraw/zinc/17/62/21/604176221.db2.gz VWHPZUDEVYGPGB-DGCLKSJQSA-N -1 0 317.349 1.621 20 50 DDGDRM C[C@H](C=NNC(=O)NCCNC(=O)[O-])CCc1ccccc1 ZINC000824544452 604202939 /nfs/dbraw/zinc/20/29/39/604202939.db2.gz QAPKYCFWHVKAJK-LBPRGKRZSA-N -1 0 306.366 1.808 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccc[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824671795 604290444 /nfs/dbraw/zinc/29/04/44/604290444.db2.gz MAIGNINPZMWTTP-MNOVXSKESA-N -1 0 322.365 1.192 20 50 DDGDRM COc1cc(F)cc(NNC(=O)CN(CC2CC2)C(=O)[O-])c1 ZINC000829143263 604315424 /nfs/dbraw/zinc/31/54/24/604315424.db2.gz YCESZTFHOIUOJQ-UHFFFAOYSA-N -1 0 311.313 1.667 20 50 DDGDRM C[C@H](NC(=O)[O-])C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000833739706 604941395 /nfs/dbraw/zinc/94/13/95/604941395.db2.gz ONNROEVEACGMMG-HMHCLHNZSA-N -1 0 323.393 1.396 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)C1CCCC1)c1ccccc1 ZINC000831450465 605261727 /nfs/dbraw/zinc/26/17/27/605261727.db2.gz BBPGSNVOKMREKB-UHFFFAOYSA-N -1 0 305.334 1.509 20 50 DDGDRM Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)NNC(=O)[O-])s1 ZINC000830143295 605268199 /nfs/dbraw/zinc/26/81/99/605268199.db2.gz GJTLQTYQULSWPR-VIFPVBQESA-N -1 0 321.362 1.267 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CC2(CCC2)Oc2ccccc21 ZINC000834199776 605386098 /nfs/dbraw/zinc/38/60/98/605386098.db2.gz MOCWXCJOLMSKPI-UHFFFAOYSA-N -1 0 303.318 1.480 20 50 DDGDRM COc1ccc2[nH]c(=NNC(=O)CCNC(=O)[O-])c(C)cc2c1 ZINC000833734659 605411917 /nfs/dbraw/zinc/41/19/17/605411917.db2.gz BTHHHJNEFYZDON-UHFFFAOYSA-N -1 0 318.333 1.653 20 50 DDGDRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NNC(=O)NC1CCCC1 ZINC000833997632 605439695 /nfs/dbraw/zinc/43/96/95/605439695.db2.gz DOGVUVLWPYAZIF-NSHDSACASA-N -1 0 312.370 1.182 20 50 DDGDRM N#Cc1ccc(NNC(=O)CC[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000833975756 605532667 /nfs/dbraw/zinc/53/26/67/605532667.db2.gz PZLYFQBMXHAZRT-ZDUSSCGKSA-N -1 0 302.334 1.924 20 50 DDGDRM COc1ccc2oc(C(C)=NNC(=O)NCC(=O)[O-])c(C)c2c1 ZINC000833734576 605592434 /nfs/dbraw/zinc/59/24/34/605592434.db2.gz ABRIUQYTKFEMDQ-UHFFFAOYSA-N -1 0 319.317 1.858 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)C[C@H](NC(=O)[O-])C2CC2)c(C)o1 ZINC000833899035 605600943 /nfs/dbraw/zinc/60/09/43/605600943.db2.gz WGZIKWNXWODHSA-NSHDSACASA-N -1 0 309.322 1.094 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ncc(F)cn1)c1ccccc1 ZINC000834004388 605612538 /nfs/dbraw/zinc/61/25/38/605612538.db2.gz YAWFUPBTVNGLKD-UHFFFAOYSA-N -1 0 305.269 1.243 20 50 DDGDRM N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000833960277 605618111 /nfs/dbraw/zinc/61/81/11/605618111.db2.gz HISIUAWALGOPTI-XFXZXTDPSA-N -1 0 303.293 1.555 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F ZINC000834172269 605721036 /nfs/dbraw/zinc/72/10/36/605721036.db2.gz JWDZWCCNMFPTFW-POYBYMJQSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000834227138 605842218 /nfs/dbraw/zinc/84/22/18/605842218.db2.gz KXMVWYFEPVKWOQ-UHFFFAOYSA-N -1 0 323.324 1.053 20 50 DDGDRM O=C([O-])N1[C@H](C(=O)NNc2ccnc(F)c2)C[C@H]2CCCC[C@@H]21 ZINC000834046723 605873819 /nfs/dbraw/zinc/87/38/19/605873819.db2.gz BNYZKPOXUQZYSP-USWWRNFRSA-N -1 0 322.340 1.975 20 50 DDGDRM O=C([O-])c1cc(C(=O)NNC(=O)CCC2CCCCC2)ccn1 ZINC000833096496 601283292 /nfs/dbraw/zinc/28/32/92/601283292.db2.gz LWPUCFODWKOHDR-UHFFFAOYSA-N -1 0 319.361 1.901 20 50 DDGDRM COC(=O)Cc1c(C#N)c(NC=C(C#N)C#N)sc1C(=O)[O-] ZINC000831188978 601350171 /nfs/dbraw/zinc/35/01/71/601350171.db2.gz MTTCHUFHIHRPEX-UHFFFAOYSA-N -1 0 316.298 1.376 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000833016379 601710067 /nfs/dbraw/zinc/71/00/67/601710067.db2.gz UWMPRVCMYHFWBP-KWQFWETISA-N -1 0 313.785 1.531 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1CC(=O)NNC(=O)c1ccccc1F ZINC000831338627 603222478 /nfs/dbraw/zinc/22/24/78/603222478.db2.gz ADRJAOFLWUWCAJ-SECBINFHSA-N -1 0 309.297 1.119 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)C2(CNC(=O)[O-])CCCC2)c(C)o1 ZINC000829956504 603613997 /nfs/dbraw/zinc/61/39/97/603613997.db2.gz IUXWOBSSOUCEDF-UHFFFAOYSA-N -1 0 323.349 1.485 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNc1cnnc2ccccc21 ZINC000831339277 603617275 /nfs/dbraw/zinc/61/72/75/603617275.db2.gz GAMVDUGSIAHVBC-JTQLQIEISA-N -1 0 315.333 1.605 20 50 DDGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)Cc3cccnc3)c21 ZINC000831562870 603823731 /nfs/dbraw/zinc/82/37/31/603823731.db2.gz VRZXBMFEPATELL-UHFFFAOYSA-N -1 0 324.340 1.815 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNC(=O)Cc2ccsc2)CCC1 ZINC000832207302 604175260 /nfs/dbraw/zinc/17/52/60/604175260.db2.gz VLTSMOYLQIYPFY-UHFFFAOYSA-N -1 0 311.363 1.018 20 50 DDGDRM COc1ccc(NNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000829484613 604222323 /nfs/dbraw/zinc/22/23/23/604222323.db2.gz VHPNXCSBYACDIA-JQWIXIFHSA-N -1 0 307.350 1.965 20 50 DDGDRM C[C@H](NC(=O)[O-])C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000825185265 604225894 /nfs/dbraw/zinc/22/58/94/604225894.db2.gz BPKKGEMBILHZGY-LURJTMIESA-N -1 0 316.239 1.676 20 50 DDGDRM O=C([O-])NC1(C(=O)NNC(=O)c2ccc3ccccc3c2)CC1 ZINC000832175754 604433428 /nfs/dbraw/zinc/43/34/28/604433428.db2.gz LEKPEHRHEPPTEB-UHFFFAOYSA-N -1 0 313.313 1.401 20 50 DDGDRM CCC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)[O-] ZINC000833649257 605012159 /nfs/dbraw/zinc/01/21/59/605012159.db2.gz IYHBDBXUOSMHER-LBPRGKRZSA-N -1 0 319.810 2.000 20 50 DDGDRM CC(C)Cn1cc(C(=O)NNc2ccccc2C(=O)[O-])cn1 ZINC000833493851 605128695 /nfs/dbraw/zinc/12/86/95/605128695.db2.gz KOQAWDMYFZHTPB-UHFFFAOYSA-N -1 0 302.334 1.994 20 50 DDGDRM CC(C)(C)OC(=O)NCCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833443342 605259968 /nfs/dbraw/zinc/25/99/68/605259968.db2.gz WJGWJLXGETWHLJ-UHFFFAOYSA-N -1 0 323.349 1.743 20 50 DDGDRM CC[C@@H](C(=O)NNc1ccccc1C(=O)[O-])N1CCCC1=O ZINC000833636218 605260884 /nfs/dbraw/zinc/26/08/84/605260884.db2.gz LTVTYAUPFSERTH-LBPRGKRZSA-N -1 0 305.334 1.229 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834049969 605508497 /nfs/dbraw/zinc/50/84/97/605508497.db2.gz UMNKQHYZDDOISB-SECBINFHSA-N -1 0 303.322 1.396 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000826926359 605670078 /nfs/dbraw/zinc/67/00/78/605670078.db2.gz WZHPPDJUBFKTDH-GFCCVEGCSA-N -1 0 320.349 1.004 20 50 DDGDRM Cc1cccc(NNC(=O)C[C@@H]2CSCCN2C(=O)[O-])c1 ZINC000830521234 605879665 /nfs/dbraw/zinc/87/96/65/605879665.db2.gz DRRCWZKXUVAFGR-GFCCVEGCSA-N -1 0 309.391 1.924 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000834234254 605938035 /nfs/dbraw/zinc/93/80/35/605938035.db2.gz NPAFLZOKKCVDJJ-UHFFFAOYSA-N -1 0 319.321 1.216 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)CNc2ccccc2F)C1 ZINC000834004882 606045917 /nfs/dbraw/zinc/04/59/17/606045917.db2.gz BCEKJQWCSBZMAE-LLVKDONJSA-N -1 0 322.340 1.730 20 50 DDGDRM O=C([O-])C1(CNC(=O)NNC(=O)c2ccccc2F)CCCC1 ZINC000833136685 601424128 /nfs/dbraw/zinc/42/41/28/601424128.db2.gz VGAMFORSWYCDNU-UHFFFAOYSA-N -1 0 323.324 1.415 20 50 DDGDRM CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)CC(=O)[O-] ZINC000830260175 602266529 /nfs/dbraw/zinc/26/65/29/602266529.db2.gz WFUMUUUKQSXXAZ-SNVBAGLBSA-N -1 0 323.418 1.986 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000827576088 603431663 /nfs/dbraw/zinc/43/16/63/603431663.db2.gz BBVAWWWZXBIBLW-CHWSQXEVSA-N -1 0 319.361 1.446 20 50 DDGDRM CC[C@H]1Oc2cc([C@H](C)NC(=O)NNC(=O)[O-])ccc2NC1=O ZINC000826698911 603466337 /nfs/dbraw/zinc/46/63/37/603466337.db2.gz IGIRXHOEUYBTBQ-OIBJUYFYSA-N -1 0 322.321 1.339 20 50 DDGDRM Cc1cc(C)n(CC(=O)NN=Cc2ccc(NC(=O)[O-])nc2)n1 ZINC000830018132 603484125 /nfs/dbraw/zinc/48/41/25/603484125.db2.gz VHPDOOXJILZJFI-UHFFFAOYSA-N -1 0 316.321 1.135 20 50 DDGDRM Cc1ncsc1C=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000830834710 603632912 /nfs/dbraw/zinc/63/29/12/603632912.db2.gz LVHRKDMETGYBON-UHFFFAOYSA-N -1 0 311.367 1.227 20 50 DDGDRM C[C@@H](C(=O)NNc1cccnn1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702730 603636798 /nfs/dbraw/zinc/63/67/98/603636798.db2.gz LWTJBWQZRXTBAG-ZWNOBZJWSA-N -1 0 315.333 1.565 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2ccncc2Cl)C1 ZINC000832326730 603805954 /nfs/dbraw/zinc/80/59/54/603805954.db2.gz UKTFPHKTJGWUTO-DTWKUNHWSA-N -1 0 312.757 1.426 20 50 DDGDRM CN(CCCC(=O)NNc1nc(=O)c2ccccc2[nH]1)C(=O)[O-] ZINC000828285865 604004834 /nfs/dbraw/zinc/00/48/34/604004834.db2.gz WFCYUZBBZCSKDX-UHFFFAOYSA-N -1 0 319.321 1.169 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1CNC(=O)NNc1ccc(Cl)nc1 ZINC000831647538 604122416 /nfs/dbraw/zinc/12/24/16/604122416.db2.gz NQLSJAPZEGMMSL-SECBINFHSA-N -1 0 313.745 1.504 20 50 DDGDRM CC(C)CC1(C(=O)NNC(=O)NCCNC(=O)[O-])CCCC1 ZINC000824225890 604216606 /nfs/dbraw/zinc/21/66/06/604216606.db2.gz WIEBPJAKMSBALE-UHFFFAOYSA-N -1 0 314.386 1.191 20 50 DDGDRM C[C@@H](CC(=O)NNc1cccnn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680633 604581213 /nfs/dbraw/zinc/58/12/13/604581213.db2.gz XSDMKNPZYSPQKC-QWRGUYRKSA-N -1 0 307.354 1.336 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000833422066 604721430 /nfs/dbraw/zinc/72/14/30/604721430.db2.gz UZVSYCYMCXGMLK-UHFFFAOYSA-N -1 0 315.276 1.862 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)CCc1ccccc1C(=O)[O-] ZINC000833481140 604737806 /nfs/dbraw/zinc/73/78/06/604737806.db2.gz RHNRIMIJEJFKLX-UHFFFAOYSA-N -1 0 306.362 1.901 20 50 DDGDRM COc1cc(F)cc(NNC(=O)CCSCC(=O)[O-])c1 ZINC000833728572 604941531 /nfs/dbraw/zinc/94/15/31/604941531.db2.gz GAMNOUHXKKNTCD-UHFFFAOYSA-N -1 0 302.327 1.485 20 50 DDGDRM C[C@@H]1C(=NNC(=O)NCCNC(=O)[O-])C[C@H]1c1ccccc1 ZINC000825779206 605238642 /nfs/dbraw/zinc/23/86/42/605238642.db2.gz WTJHYNFGPNNLOK-CMPLNLGQSA-N -1 0 304.350 1.733 20 50 DDGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)Cn1nc(C)cc1C ZINC000824760207 605460820 /nfs/dbraw/zinc/46/08/20/605460820.db2.gz SZIJHLWEQCQAEU-CYBMUJFWSA-N -1 0 321.381 1.525 20 50 DDGDRM O=C([O-])N(CC(=O)NN=c1[nH]c2ccccc2[nH]1)CC1CC1 ZINC000834006974 605508430 /nfs/dbraw/zinc/50/84/30/605508430.db2.gz PEFGIEBMGUTDEI-UHFFFAOYSA-N -1 0 303.322 1.396 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccccc1Br ZINC000833384391 605589925 /nfs/dbraw/zinc/58/99/25/605589925.db2.gz IFSANBJOJTXZCI-UHFFFAOYSA-N -1 0 314.139 1.557 20 50 DDGDRM O=C([O-])NNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000834250376 605677387 /nfs/dbraw/zinc/67/73/87/605677387.db2.gz ICWKLSDREIBPSA-UHFFFAOYSA-N -1 0 306.181 1.500 20 50 DDGDRM COc1ccccc1C(=O)NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000829586421 605711715 /nfs/dbraw/zinc/71/17/15/605711715.db2.gz XPZFPNQDFWMLJM-LLVKDONJSA-N -1 0 323.349 1.139 20 50 DDGDRM CC(C)(C)N1C[C@@H](C(=O)NNc2ccccc2C(=O)[O-])CC1=O ZINC000833431688 605721050 /nfs/dbraw/zinc/72/10/50/605721050.db2.gz UUXUKBBUAAUNCY-JTQLQIEISA-N -1 0 319.361 1.475 20 50 DDGDRM CC(C)(C)OC(=O)NCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833437971 605734453 /nfs/dbraw/zinc/73/44/53/605734453.db2.gz FSWSDGDZLXVXND-UHFFFAOYSA-N -1 0 309.322 1.353 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000834049299 605739449 /nfs/dbraw/zinc/73/94/49/605739449.db2.gz ZUMUVICRBKBAPP-MRVPVSSYSA-N -1 0 321.280 1.600 20 50 DDGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CCCOC1 ZINC000833520469 605748234 /nfs/dbraw/zinc/74/82/34/605748234.db2.gz CQPNKKJAHBEDTI-ZYHUDNBSSA-N -1 0 307.350 1.826 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1c(Cl)nc2ccccn21 ZINC000834228912 605800248 /nfs/dbraw/zinc/80/02/48/605800248.db2.gz SNYLGSGRVNFREI-UHFFFAOYSA-N -1 0 323.740 1.486 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)c1ccc2c(c1)OCO2 ZINC000834169460 605857163 /nfs/dbraw/zinc/85/71/63/605857163.db2.gz MXNINTUVTQEUDT-SECBINFHSA-N -1 0 305.290 1.321 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNc1cc(F)c(F)c(F)c1 ZINC000834234305 605926304 /nfs/dbraw/zinc/92/63/04/605926304.db2.gz OKQIWSBLMXOCTL-UHFFFAOYSA-N -1 0 305.256 1.985 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1ccccc1 ZINC000834271557 606040440 /nfs/dbraw/zinc/04/04/40/606040440.db2.gz CCRVSKMZDUMUON-UHFFFAOYSA-N -1 0 313.313 1.780 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)c2ccc(Cl)nc2)C1 ZINC000834044583 606051816 /nfs/dbraw/zinc/05/18/16/606051816.db2.gz GJEARPOWEFLRSN-VIFPVBQESA-N -1 0 310.741 1.841 20 50 DDGDRM COc1ccccc1C(=O)NN[C@@H](C(=O)[O-])c1ccccc1F ZINC000832589850 600748948 /nfs/dbraw/zinc/74/89/48/600748948.db2.gz VCAZGWQPHHONLJ-CQSZACIVSA-N -1 0 318.304 1.895 20 50 DDGDRM O=C([O-])C1(CNC(=O)NNC(=O)c2ccccc2)CCCC1 ZINC000833136363 601410821 /nfs/dbraw/zinc/41/08/21/601410821.db2.gz NMNWWKAUWWVTNP-UHFFFAOYSA-N -1 0 305.334 1.276 20 50 DDGDRM CCCNC(=O)NNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000829513749 601679295 /nfs/dbraw/zinc/67/92/95/601679295.db2.gz POCMUBFFASGUOS-UHFFFAOYSA-N -1 0 323.349 1.121 20 50 DDGDRM COCCOC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000831757775 602095265 /nfs/dbraw/zinc/09/52/65/602095265.db2.gz WVHIUHYYQXSQTA-VSXLWIIGSA-N -1 0 319.313 1.635 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)[O-] ZINC000824671234 603223563 /nfs/dbraw/zinc/22/35/63/603223563.db2.gz DYNFQXPIYCYMPH-HMHCLHNZSA-N -1 0 323.393 1.396 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000824171414 603287293 /nfs/dbraw/zinc/28/72/93/603287293.db2.gz ZXEGYPTYMUWTSM-GFCCVEGCSA-N -1 0 307.350 1.231 20 50 DDGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNc1cccc(C#N)c1 ZINC000824205046 603665490 /nfs/dbraw/zinc/66/54/90/603665490.db2.gz YPRBIYRPLWNJHX-ZDUSSCGKSA-N -1 0 319.365 1.867 20 50 DDGDRM COCCNC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2 ZINC000828993148 603809486 /nfs/dbraw/zinc/80/94/86/603809486.db2.gz XWDNSQYSWZCSBS-UKTHLTGXSA-N -1 0 315.329 1.397 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NN=c2[nH]cccc2Cl)C1 ZINC000831908334 603897615 /nfs/dbraw/zinc/89/76/15/603897615.db2.gz QEMNBHGNHCWAHL-LLVKDONJSA-N -1 0 302.693 1.270 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NN=c2[nH]ccc3sccc32)C1 ZINC000831908171 603897710 /nfs/dbraw/zinc/89/77/10/603897710.db2.gz PQYGQRFNWWGHTM-CYBMUJFWSA-N -1 0 324.337 1.831 20 50 DDGDRM CSCC[C@H](NC(=O)[O-])C(=O)NNc1cccc(F)c1F ZINC000829728953 603932737 /nfs/dbraw/zinc/93/27/37/603932737.db2.gz ACDAAJOSMBINGS-VIFPVBQESA-N -1 0 319.333 1.797 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830586086 604031592 /nfs/dbraw/zinc/03/15/92/604031592.db2.gz JEHWYLMBJFRVJV-QWRGUYRKSA-N -1 0 320.349 1.584 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CNC(=O)NNc1ccc(Cl)nc1 ZINC000831647539 604122370 /nfs/dbraw/zinc/12/23/70/604122370.db2.gz NQLSJAPZEGMMSL-VIFPVBQESA-N -1 0 313.745 1.504 20 50 DDGDRM O=C([O-])NNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000832748823 604158144 /nfs/dbraw/zinc/15/81/44/604158144.db2.gz VMVOUSLSTKMWFK-UHFFFAOYSA-N -1 0 318.083 1.199 20 50 DDGDRM Cc1ccc(CNC(=O)NNC(=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000830318670 604281477 /nfs/dbraw/zinc/28/14/77/604281477.db2.gz YJKOKUIXFKMXAX-NSHDSACASA-N -1 0 309.322 1.145 20 50 DDGDRM CC(C)(CNC(=O)NN=c1nc[nH]c2ccsc21)C(=O)[O-] ZINC000826585517 604307345 /nfs/dbraw/zinc/30/73/45/604307345.db2.gz NAPPDEAAODINGM-UHFFFAOYSA-N -1 0 309.351 1.428 20 50 DDGDRM CC(C)C(=O)NNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000833467341 604764005 /nfs/dbraw/zinc/76/40/05/604764005.db2.gz OKRHZMJCCJIUAG-UHFFFAOYSA-N -1 0 301.249 1.472 20 50 DDGDRM CN(C)c1cccc(C(=O)NN[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000830643828 604987241 /nfs/dbraw/zinc/98/72/41/604987241.db2.gz MVRBDWHJBMPQRM-AWEZNQCLSA-N -1 0 314.345 1.208 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(Cl)cc1F)c1cccnc1 ZINC000833148939 605006127 /nfs/dbraw/zinc/00/61/27/605006127.db2.gz BJOWDIPTQRVPMK-LBPRGKRZSA-N -1 0 323.711 1.934 20 50 DDGDRM CC(C)(C)c1ccc(OCC(=O)NN[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000833449531 605061916 /nfs/dbraw/zinc/06/19/16/605061916.db2.gz XCICECSUOIBWRA-OAHLLOKOSA-N -1 0 320.389 1.847 20 50 DDGDRM O=C([O-])NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000834250335 605336962 /nfs/dbraw/zinc/33/69/62/605336962.db2.gz GUSOFKLPKSNJNC-LURJTMIESA-N -1 0 315.688 1.131 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cnc(-c2ccccc2)s1 ZINC000834201163 605384475 /nfs/dbraw/zinc/38/44/75/605384475.db2.gz FYKRYPMKKLHYQB-UHFFFAOYSA-N -1 0 304.331 1.528 20 50 DDGDRM O=C([O-])N1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000831742941 605408485 /nfs/dbraw/zinc/40/84/85/605408485.db2.gz WPVOIPQSYVMAOU-VIFPVBQESA-N -1 0 308.294 1.428 20 50 DDGDRM O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1ccc(F)cc1 ZINC000831414184 605418109 /nfs/dbraw/zinc/41/81/09/605418109.db2.gz KOMSDSDILGQIEO-NSHDSACASA-N -1 0 313.354 1.754 20 50 DDGDRM O=C(CC1CCN(C(=O)[O-])CC1)NNc1cccc([N+](=O)[O-])c1 ZINC000833986751 605713949 /nfs/dbraw/zinc/71/39/49/605713949.db2.gz AFCGQFDRTPIEHP-UHFFFAOYSA-N -1 0 322.321 1.818 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc(C(F)(F)F)ccc1F ZINC000834227711 605750087 /nfs/dbraw/zinc/75/00/87/605750087.db2.gz JWDXSPXUKMVFPZ-UHFFFAOYSA-N -1 0 321.230 1.952 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C[C@H]1CCOc2ccccc21 ZINC000834228494 605796973 /nfs/dbraw/zinc/79/69/73/605796973.db2.gz JFSOZSCNOIVBGA-LLVKDONJSA-N -1 0 305.334 1.703 20 50 DDGDRM O=C([O-])N1[C@H](C(=O)NNc2ccnc(F)c2)C[C@@H]2CCCC[C@@H]21 ZINC000834046717 605873949 /nfs/dbraw/zinc/87/39/49/605873949.db2.gz BNYZKPOXUQZYSP-DLOVCJGASA-N -1 0 322.340 1.975 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCC(=O)Nc2ccccc21 ZINC000834229365 606080958 /nfs/dbraw/zinc/08/09/58/606080958.db2.gz GEFAXTQGTBZDAB-UHFFFAOYSA-N -1 0 318.333 1.287 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CC=CC1 ZINC000826445305 608580423 /nfs/dbraw/zinc/58/04/23/608580423.db2.gz OPYMMFQTVLJZCB-UHFFFAOYSA-N -1 0 305.729 1.324 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1 ZINC000833118626 600943153 /nfs/dbraw/zinc/94/31/53/600943153.db2.gz LYNWZIKOTZXUHU-RYUDHWBXSA-N -1 0 322.336 1.407 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)C(C)C)cc(C)c1OCC(=O)[O-] ZINC000832864494 601674131 /nfs/dbraw/zinc/67/41/31/601674131.db2.gz JJOQKHJRXRAEIB-UHFFFAOYSA-N -1 0 308.334 1.184 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000827304099 602144559 /nfs/dbraw/zinc/14/45/59/602144559.db2.gz OXDXUQBGCYLBAN-ZCFIWIBFSA-N -1 0 319.144 1.865 20 50 DDGDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000833179626 602272529 /nfs/dbraw/zinc/27/25/29/602272529.db2.gz UAUNRKAUZXDERV-DTWKUNHWSA-N -1 0 304.224 1.749 20 50 DDGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000833179628 602272578 /nfs/dbraw/zinc/27/25/78/602272578.db2.gz UAUNRKAUZXDERV-RKDXNWHRSA-N -1 0 304.224 1.749 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)c2cccnc2)cc1NC(=O)[O-] ZINC000830225386 603215461 /nfs/dbraw/zinc/21/54/61/603215461.db2.gz LQGDZAAVUVETLP-UHFFFAOYSA-N -1 0 314.301 1.555 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824170090 603287082 /nfs/dbraw/zinc/28/70/82/603287082.db2.gz FAZKIBALHIHZNT-BXUZGUMPSA-N -1 0 321.377 1.825 20 50 DDGDRM C[C@@H](C(=O)NNc1cnccn1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823704813 603620572 /nfs/dbraw/zinc/62/05/72/603620572.db2.gz UCFWYZCLCUELMG-ZWNOBZJWSA-N -1 0 315.333 1.565 20 50 DDGDRM Cc1cc(=NNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)nc(C)[nH]1 ZINC000830123417 603639039 /nfs/dbraw/zinc/63/90/39/603639039.db2.gz VUNHNBFSJRONFE-MNOVXSKESA-N -1 0 307.354 1.363 20 50 DDGDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NNc1ccc(F)cc1 ZINC000826116093 603645441 /nfs/dbraw/zinc/64/54/41/603645441.db2.gz ORYRLPSQTRJFKU-KCJUWKMLSA-N -1 0 311.313 1.772 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NN=c1[nH]ccc2sccc21 ZINC000824867236 604220325 /nfs/dbraw/zinc/22/03/25/604220325.db2.gz BUGMNSQXBLCRHD-MRVPVSSYSA-N -1 0 308.363 1.985 20 50 DDGDRM CCOc1ncccc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833665724 604801814 /nfs/dbraw/zinc/80/18/14/604801814.db2.gz WXKCXJPTXUWCEL-UHFFFAOYSA-N -1 0 302.290 1.330 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)c1ccccc1)c1ccccc1 ZINC000831451390 605241169 /nfs/dbraw/zinc/24/11/69/605241169.db2.gz VMLCLWLBLAXWMQ-UHFFFAOYSA-N -1 0 313.313 1.632 20 50 DDGDRM COc1cc(C=NNC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000833887257 605486951 /nfs/dbraw/zinc/48/69/51/605486951.db2.gz OMFSJGMYFQDNOW-UHFFFAOYSA-N -1 0 319.220 1.849 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NNc1cnccn1 ZINC000832359619 605612620 /nfs/dbraw/zinc/61/26/20/605612620.db2.gz NYHSMQSIDVSOFK-GHMZBOCLSA-N -1 0 307.354 1.526 20 50 DDGDRM O=C([O-])Nc1ccc(C(=O)NNC(=O)NC2CCCC2)c(O)c1 ZINC000834257223 605646403 /nfs/dbraw/zinc/64/64/03/605646403.db2.gz LCWJCAXGKJORSS-UHFFFAOYSA-N -1 0 322.321 1.369 20 50 DDGDRM O=C([O-])NCc1cccc(NC(=O)NNc2cnccn2)c1 ZINC000834247040 605657593 /nfs/dbraw/zinc/65/75/93/605657593.db2.gz MWAZHLRATDUGLE-UHFFFAOYSA-N -1 0 302.294 1.393 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNc2cccc([N+](=O)[O-])c2)CCC1 ZINC000834155795 605716282 /nfs/dbraw/zinc/71/62/82/605716282.db2.gz RCJFAKOPKAQGOD-UHFFFAOYSA-N -1 0 308.294 1.618 20 50 DDGDRM COc1ccccc1[C@@H](NC(=O)NNC(=O)[O-])c1ccco1 ZINC000829604342 605723989 /nfs/dbraw/zinc/72/39/89/605723989.db2.gz OVMHNTBHMMPVPL-GFCCVEGCSA-N -1 0 305.290 1.859 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1coc(-c2ccccc2)n1 ZINC000834228330 605797047 /nfs/dbraw/zinc/79/70/47/605797047.db2.gz FKLNKJPDUJQBCB-UHFFFAOYSA-N -1 0 316.317 1.840 20 50 DDGDRM COc1cccc2c1CCC2=NNC(=O)CCCNC(=O)[O-] ZINC000833891615 605798619 /nfs/dbraw/zinc/79/86/19/605798619.db2.gz SDVBIWZFVQIGDV-UHFFFAOYSA-N -1 0 305.334 1.510 20 50 DDGDRM CCc1nc2c(s1)C(=NNC(=O)CCCNC(=O)[O-])CCC2 ZINC000833867304 605798779 /nfs/dbraw/zinc/79/87/79/605798779.db2.gz WNZPJLZYDMFOGT-UHFFFAOYSA-N -1 0 324.406 1.910 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C/C=C\c1cccc(F)c1 ZINC000834231863 605978333 /nfs/dbraw/zinc/97/83/33/605978333.db2.gz SWRXZFPAZOJAER-DJWKRKHSSA-N -1 0 323.324 1.424 20 50 DDGDRM Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)[O-] ZINC000833953041 606002528 /nfs/dbraw/zinc/00/25/28/606002528.db2.gz SLXGYIBDHQMTOH-BONVTDFDSA-N -1 0 322.365 1.003 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1ccc[nH]1 ZINC000834274825 606043511 /nfs/dbraw/zinc/04/35/11/606043511.db2.gz QRUZVYJHEMVSHN-UHFFFAOYSA-N -1 0 302.290 1.108 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)NCC1CC1 ZINC000834271461 606052882 /nfs/dbraw/zinc/05/28/82/606052882.db2.gz AEIDZLWOBFCKHB-UHFFFAOYSA-N -1 0 306.322 1.059 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1 ZINC000834277117 606060862 /nfs/dbraw/zinc/06/08/62/606060862.db2.gz GORRVZJHRRQAQU-UHFFFAOYSA-N -1 0 318.249 1.232 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@H]1C[C@@H]1C1CC1 ZINC000826445181 608578991 /nfs/dbraw/zinc/57/89/91/608578991.db2.gz JYRJWSGARTXVPD-BDAKNGLRSA-N -1 0 319.756 1.404 20 50 DDGDRM Cc1ccc(NC(=S)NNC(=O)[C@@H](C)CC(=O)[O-])c(C)c1 ZINC000832949093 602266613 /nfs/dbraw/zinc/26/66/13/602266613.db2.gz OIZJTKBXCNPCKJ-JTQLQIEISA-N -1 0 309.391 1.732 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)c2ccncc2)cc1NC(=O)[O-] ZINC000830225498 603210660 /nfs/dbraw/zinc/21/06/60/603210660.db2.gz PUPBJSXVCXPWBB-UHFFFAOYSA-N -1 0 314.301 1.555 20 50 DDGDRM CC(C)C(=O)NNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824044389 603224585 /nfs/dbraw/zinc/22/45/85/603224585.db2.gz TWSBOCNZUIFYOF-CMPLNLGQSA-N -1 0 307.350 1.435 20 50 DDGDRM C[C@H](NC(=S)NNC(=O)CCC(C)(C)NC(=O)[O-])C1CC1 ZINC000825465586 603611626 /nfs/dbraw/zinc/61/16/26/603611626.db2.gz MLLVNIDCGXOCNG-QMMMGPOBSA-N -1 0 316.427 1.107 20 50 DDGDRM N#Cc1ccc2c(c1)CCCC2=NNC(=O)NCCNC(=O)[O-] ZINC000831142448 603631231 /nfs/dbraw/zinc/63/12/31/603631231.db2.gz YVPFFVFXEDPJHJ-UHFFFAOYSA-N -1 0 315.333 1.165 20 50 DDGDRM O=C([O-])NCC1(C(=O)NN=c2[nH]ccnc2Cl)CCCC1 ZINC000832442835 603801063 /nfs/dbraw/zinc/80/10/63/603801063.db2.gz BLQABHGFBHSYGS-UHFFFAOYSA-N -1 0 313.745 1.401 20 50 DDGDRM CC(C)[C@@H](CCN(C)C(=O)NNC(=O)C(C)(C)C)NC(=O)[O-] ZINC000824085819 604075176 /nfs/dbraw/zinc/07/51/76/604075176.db2.gz REOZIYPUSCIPML-SNVBAGLBSA-N -1 0 316.402 1.387 20 50 DDGDRM O=C([O-])NCCCC(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000832608529 604103885 /nfs/dbraw/zinc/10/38/85/604103885.db2.gz HLVXYTXORFRKSM-UHFFFAOYSA-N -1 0 315.333 1.635 20 50 DDGDRM O=C([O-])N1CCC[C@@H](NC(=O)NNc2cccc(F)c2F)C1 ZINC000831742486 604138275 /nfs/dbraw/zinc/13/82/75/604138275.db2.gz HTYSFCGXTIETIV-MRVPVSSYSA-N -1 0 314.292 1.733 20 50 DDGDRM C[C@H](NC(=O)[O-])[C@@H]1CN(/C(=C\C#N)c2ccccc2)CCO1 ZINC000825292705 604605683 /nfs/dbraw/zinc/60/56/83/604605683.db2.gz BWWIWFFGHPNIMK-FHKZSAJZSA-N -1 0 301.346 1.908 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNC(=O)c2ccccc2F)c1 ZINC000833765718 604665634 /nfs/dbraw/zinc/66/56/34/604665634.db2.gz JLAFMALPVSGCBA-UHFFFAOYSA-N -1 0 316.288 1.528 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)o1 ZINC000832864864 604804349 /nfs/dbraw/zinc/80/43/49/604804349.db2.gz VVBKCYXKCXHEML-UHFFFAOYSA-N -1 0 320.276 1.809 20 50 DDGDRM COc1cc(F)cc(NNC(=O)c2cccc(C(=O)[O-])n2)c1 ZINC000833728505 604941712 /nfs/dbraw/zinc/94/17/12/604941712.db2.gz FSLQOLLWVXYAPW-UHFFFAOYSA-N -1 0 305.265 1.684 20 50 DDGDRM Cc1cc(NNC(=O)CN(C(=O)[O-])c2ccccc2)nc(C)n1 ZINC000830123619 605350450 /nfs/dbraw/zinc/35/04/50/605350450.db2.gz YARXTHFLQSBYLT-UHFFFAOYSA-N -1 0 315.333 1.721 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccccc1OC1CCCC1 ZINC000834200959 605384285 /nfs/dbraw/zinc/38/42/85/605384285.db2.gz DQCIFNNOMWKFAR-UHFFFAOYSA-N -1 0 305.334 1.726 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNC(=O)CC(F)(F)F ZINC000833999135 605541727 /nfs/dbraw/zinc/54/17/27/605541727.db2.gz ZMQUTYMDOULHRK-ZETCQYMHSA-N -1 0 311.260 1.009 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])c1 ZINC000833970983 605544870 /nfs/dbraw/zinc/54/48/70/605544870.db2.gz ZWASRTSKJHYYRF-DTWKUNHWSA-N -1 0 323.740 1.486 20 50 DDGDRM N#Cc1ccc(NNC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000833977681 605718976 /nfs/dbraw/zinc/71/89/76/605718976.db2.gz RLMVCBLZIHVQIX-UHFFFAOYSA-N -1 0 317.330 1.539 20 50 DDGDRM CN(CC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CCSC1 ZINC000833692386 605733346 /nfs/dbraw/zinc/73/33/46/605733346.db2.gz ODKYXQVKKIOBLF-GFCCVEGCSA-N -1 0 309.391 1.265 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(OCC(F)F)cc1 ZINC000834226997 605746947 /nfs/dbraw/zinc/74/69/47/605746947.db2.gz HEOKUSBGBJOUBW-UHFFFAOYSA-N -1 0 315.276 1.438 20 50 DDGDRM CC(C)(CCCO)CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833457005 605748084 /nfs/dbraw/zinc/74/80/84/605748084.db2.gz MWYDBWZKBHEYNV-UHFFFAOYSA-N -1 0 309.366 1.810 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1c(O)ccc2ccccc21 ZINC000834227453 605749188 /nfs/dbraw/zinc/74/91/88/605749188.db2.gz DXEVFKLNQSLKMT-UHFFFAOYSA-N -1 0 301.302 1.653 20 50 DDGDRM O=C([O-])N[C@@H](C(=O)NNc1ccnc(F)c1)c1ccccc1 ZINC000834251824 605875942 /nfs/dbraw/zinc/87/59/42/605875942.db2.gz VQSDASHJJNCXEV-GFCCVEGCSA-N -1 0 304.281 1.673 20 50 DDGDRM O=C([O-])N[C@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000834144740 605946606 /nfs/dbraw/zinc/94/66/06/605946606.db2.gz RKWQFVSRPZDUSH-LLVKDONJSA-N -1 0 323.309 1.267 20 50 DDGDRM CC(C)(C)C=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824077356 608626247 /nfs/dbraw/zinc/62/62/47/608626247.db2.gz ATUPZMZGTFKLPL-PLNGDYQASA-N -1 0 321.772 1.961 20 50 DDGDRM COc1ccsc1C(=O)[N-]NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000106020963 696625952 /nfs/dbraw/zinc/62/59/52/696625952.db2.gz XZDKWLSOGZBKFN-LBPRGKRZSA-N -1 0 318.354 1.521 20 50 DDGDRM CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CC)C(=O)[O-])cc1 ZINC000830063622 601752008 /nfs/dbraw/zinc/75/20/08/601752008.db2.gz FGYVUIHBRSAMNM-UQTJOTSZSA-N -1 0 302.330 1.972 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832977285 602056696 /nfs/dbraw/zinc/05/66/96/602056696.db2.gz HHPIUFBHASWPBD-UONOGXRCSA-N -1 0 318.373 1.576 20 50 DDGDRM Cc1ccc(SCC(=O)NNC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000832958312 602072293 /nfs/dbraw/zinc/07/22/93/602072293.db2.gz ZFIAKKDCNUQRRK-SNVBAGLBSA-N -1 0 310.375 1.345 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2F)C1 ZINC000832281069 603429918 /nfs/dbraw/zinc/42/99/18/603429918.db2.gz XKRUUPQYINPDHI-IUCAKERBSA-N -1 0 309.297 1.023 20 50 DDGDRM CCC(CC)(CNC(=O)NNC(=O)c1ccccc1)NC(=O)[O-] ZINC000826540630 603545142 /nfs/dbraw/zinc/54/51/42/603545142.db2.gz CDFHNXDULUHUBF-UHFFFAOYSA-N -1 0 322.365 1.457 20 50 DDGDRM C[C@@H](NC(=S)NNC(=O)c1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000825465122 603611438 /nfs/dbraw/zinc/61/14/38/603611438.db2.gz HONUOCHFYUWMRJ-MRVPVSSYSA-N -1 0 322.390 1.684 20 50 DDGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)c3cccnc3)c21 ZINC000831736715 603818582 /nfs/dbraw/zinc/81/85/82/603818582.db2.gz SUZLQFUBNRYQQL-UHFFFAOYSA-N -1 0 310.313 1.886 20 50 DDGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccoc1 ZINC000826793131 603892658 /nfs/dbraw/zinc/89/26/58/603892658.db2.gz AHQBJQUDTRIEIN-SNVBAGLBSA-N -1 0 312.326 1.050 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNC(=O)C1CCC1 ZINC000832350923 603985852 /nfs/dbraw/zinc/98/58/52/603985852.db2.gz YNSQEBBJSLWSSJ-NEPJUHHUSA-N -1 0 311.382 1.541 20 50 DDGDRM O=C([O-])N1CC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831742676 604007957 /nfs/dbraw/zinc/00/79/57/604007957.db2.gz NHRJCDMEAVFZCX-ZCFIWIBFSA-N -1 0 303.240 1.547 20 50 DDGDRM CC(=NNC(=O)c1ccc(N)cc1)[C@@H]1CCCCN1C(=O)[O-] ZINC000823534440 604085562 /nfs/dbraw/zinc/08/55/62/604085562.db2.gz XTHGFVSZMTWFLC-ZDUSSCGKSA-N -1 0 304.350 1.907 20 50 DDGDRM O=C([O-])NC1CCC(C(=O)NN=c2[nH]cccc2[N+](=O)[O-])CC1 ZINC000832276337 604313380 /nfs/dbraw/zinc/31/33/80/604313380.db2.gz ALRIUKSTNOMWMP-UHFFFAOYSA-N -1 0 323.309 1.259 20 50 DDGDRM O=C([O-])NNC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000832748404 604419260 /nfs/dbraw/zinc/41/92/60/604419260.db2.gz JINZLKVZECZFOE-UHFFFAOYSA-N -1 0 314.223 1.804 20 50 DDGDRM Cc1cc(NNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)ncn1 ZINC000830122417 604581320 /nfs/dbraw/zinc/58/13/20/604581320.db2.gz MCFUDFYXIWDNAZ-PWSUYJOCSA-N -1 0 321.381 1.644 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000833422024 604732033 /nfs/dbraw/zinc/73/20/33/604732033.db2.gz RMVMIYBWJUVJLA-UHFFFAOYSA-N -1 0 307.350 1.903 20 50 DDGDRM CCCc1c(C(=O)NN(C)C(=O)NCC)[nH]c(C)c1C(=O)[O-] ZINC000833653333 604790505 /nfs/dbraw/zinc/79/05/05/604790505.db2.gz QNGVVGGXWGNFAN-UHFFFAOYSA-N -1 0 310.354 1.280 20 50 DDGDRM CCN(CC)C(=O)CCCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833653864 604803794 /nfs/dbraw/zinc/80/37/94/604803794.db2.gz MUHKDFBMMSYRAU-UHFFFAOYSA-N -1 0 322.365 1.262 20 50 DDGDRM CC(C)(C)NC(=S)NNC(=O)CCc1ccccc1C(=O)[O-] ZINC000833430366 604806748 /nfs/dbraw/zinc/80/67/48/604806748.db2.gz AIFTWPATTOZIIR-UHFFFAOYSA-N -1 0 323.418 1.611 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1F ZINC000833133424 604813447 /nfs/dbraw/zinc/81/34/47/604813447.db2.gz HEVYOYQKUODVMS-UHFFFAOYSA-N -1 0 323.202 1.030 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000834201601 605387161 /nfs/dbraw/zinc/38/71/61/605387161.db2.gz LYCGOKQCNGKGNR-UHFFFAOYSA-N -1 0 321.724 1.243 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(OC(F)(F)F)cc1 ZINC000834201654 605390022 /nfs/dbraw/zinc/39/00/22/605390022.db2.gz MXEXKCFMHQYDMO-UHFFFAOYSA-N -1 0 305.212 1.303 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)C1CCCC1)c1ccccc1 ZINC000832106440 605586096 /nfs/dbraw/zinc/58/60/96/605586096.db2.gz ZPLNJEXFFBPVAY-ZDUSSCGKSA-N -1 0 319.361 1.723 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)COc1ccc(C#N)cc1 ZINC000833801883 605622414 /nfs/dbraw/zinc/62/24/14/605622414.db2.gz NDDYTIJGCRQYCJ-JTQLQIEISA-N -1 0 318.333 1.475 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NNc1cccnn1 ZINC000832356093 605630044 /nfs/dbraw/zinc/63/00/44/605630044.db2.gz AZALTUXIVLXGLT-QWRGUYRKSA-N -1 0 307.354 1.526 20 50 DDGDRM O=C([O-])NCCOCC(=O)NNc1ccc(C(F)(F)F)cc1 ZINC000834243456 605665151 /nfs/dbraw/zinc/66/51/51/605665151.db2.gz XLBXKDMUSUMKCD-UHFFFAOYSA-N -1 0 321.255 1.433 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000834150716 605716280 /nfs/dbraw/zinc/71/62/80/605716280.db2.gz HNEZIEVYMXFZFP-UHFFFAOYSA-N -1 0 308.294 1.618 20 50 DDGDRM O=C([O-])NCCC(=O)NNc1ccc(Br)cc1F ZINC000834228834 605721022 /nfs/dbraw/zinc/72/10/22/605721022.db2.gz QLRUWPBYOOBGIV-UHFFFAOYSA-N -1 0 320.118 1.689 20 50 DDGDRM C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833537259 605735269 /nfs/dbraw/zinc/73/52/69/605735269.db2.gz ZEIRHJGUSLYWDV-ZWNOBZJWSA-N -1 0 308.334 1.412 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1c[nH]nc1-c1ccccc1F ZINC000834227255 605747192 /nfs/dbraw/zinc/74/71/92/605747192.db2.gz AJWKGTISGWJEJE-UHFFFAOYSA-N -1 0 319.296 1.324 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCCc2cc(O)ccc21 ZINC000834229203 605798067 /nfs/dbraw/zinc/79/80/67/605798067.db2.gz ACDATGJKYMHAHE-UHFFFAOYSA-N -1 0 305.334 1.597 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)Cn1cnc2ccccc21 ZINC000834168582 605857272 /nfs/dbraw/zinc/85/72/72/605857272.db2.gz IOYQHCTYWKTJCK-JTQLQIEISA-N -1 0 315.333 1.329 20 50 DDGDRM O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1ccnc(F)c1 ZINC000833989554 605873620 /nfs/dbraw/zinc/87/36/20/605873620.db2.gz XOMZRWISFOIVOQ-VIFPVBQESA-N -1 0 314.342 1.149 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNC(=O)c1cccc(Cl)c1 ZINC000834234886 605887016 /nfs/dbraw/zinc/88/70/16/605887016.db2.gz ZCTGYCCPKWQVND-UHFFFAOYSA-N -1 0 313.741 1.539 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1cccc2cnccc21 ZINC000834136403 606078859 /nfs/dbraw/zinc/07/88/59/606078859.db2.gz RVVIVDZUYPCZPO-NSHDSACASA-N -1 0 324.287 1.969 20 50 DDGDRM Cc1ncsc1C(=O)NN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833010567 601304208 /nfs/dbraw/zinc/30/42/08/601304208.db2.gz QKHYMJKKATXELI-LLVKDONJSA-N -1 0 316.342 1.384 20 50 DDGDRM CCOC(=O)NNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827328939 603218013 /nfs/dbraw/zinc/21/80/13/603218013.db2.gz RXZZRZOBSMBPIR-GXSJLCMTSA-N -1 0 309.322 1.409 20 50 DDGDRM O=C(C[C@@H]1CCCN1C(=O)[O-])NNC(=O)NC1CCCCC1 ZINC000831334083 603224856 /nfs/dbraw/zinc/22/48/56/603224856.db2.gz KAKIYYULFAODLC-NSHDSACASA-N -1 0 312.370 1.182 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccc(Cl)nn2)o1 ZINC000832702581 603634294 /nfs/dbraw/zinc/63/42/94/603634294.db2.gz UACUKIAMEQKSLG-UHFFFAOYSA-N -1 0 311.685 1.248 20 50 DDGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NNc1ccc(C)nn1 ZINC000826796811 603892380 /nfs/dbraw/zinc/89/23/80/603892380.db2.gz XZSZLPSWKFODIV-SNVBAGLBSA-N -1 0 310.358 1.238 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)CC2(NC(=O)[O-])CCC2)cc1 ZINC000827576060 604060825 /nfs/dbraw/zinc/06/08/25/604060825.db2.gz AVGDIKQFYAXJCP-UHFFFAOYSA-N -1 0 319.361 1.590 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2cccnc2Cl)o1 ZINC000832702910 604106590 /nfs/dbraw/zinc/10/65/90/604106590.db2.gz ZYYYVSLYWUSQGS-UHFFFAOYSA-N -1 0 310.697 1.853 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)CCCc1ccccc1 ZINC000824868697 604146492 /nfs/dbraw/zinc/14/64/92/604146492.db2.gz PTXYVKSPKHAOTB-LBPRGKRZSA-N -1 0 321.377 1.403 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNc1ccccn1)Cc1ccccc1 ZINC000834129378 605324710 /nfs/dbraw/zinc/32/47/10/605324710.db2.gz XAZOWXKHMKQFML-CYBMUJFWSA-N -1 0 314.345 1.794 20 50 DDGDRM O=C([O-])NNC(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000834251401 605334513 /nfs/dbraw/zinc/33/45/13/605334513.db2.gz UWMZZFJDCYUXLU-GFCCVEGCSA-N -1 0 304.281 1.792 20 50 DDGDRM C[C@@H](CC(=O)NNc1cccnn1)C1CCN(C(=O)[O-])CC1 ZINC000824679873 605348138 /nfs/dbraw/zinc/34/81/38/605348138.db2.gz OUCHBJJUXMNZSA-JTQLQIEISA-N -1 0 307.354 1.336 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(Br)c(F)c1 ZINC000834201707 605390458 /nfs/dbraw/zinc/39/04/58/605390458.db2.gz NDWVNPCBSXAVFU-UHFFFAOYSA-N -1 0 318.102 1.306 20 50 DDGDRM COc1ccc(NNC(=O)C[C@@H](C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829482958 605421601 /nfs/dbraw/zinc/42/16/01/605421601.db2.gz BGDRWEWPRYQADI-SSDOTTSWSA-N -1 0 312.282 1.093 20 50 DDGDRM O=C([O-])N(CCNC(=O)NN=c1cc(Cl)cc[nH]1)C1CC1 ZINC000834040136 605513869 /nfs/dbraw/zinc/51/38/69/605513869.db2.gz BPPVQSMEOAFRNT-UHFFFAOYSA-N -1 0 313.745 1.504 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNc1ccncc1Cl ZINC000833997841 605568325 /nfs/dbraw/zinc/56/83/25/605568325.db2.gz HRIKGWMQRYEJMT-VIFPVBQESA-N -1 0 312.757 1.523 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[O-])c(C)o1 ZINC000829962277 605577144 /nfs/dbraw/zinc/57/71/44/605577144.db2.gz ZQGSHRIJOJXOHH-NSHDSACASA-N -1 0 311.338 1.340 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000823822604 605600662 /nfs/dbraw/zinc/60/06/62/605600662.db2.gz NPZKLFVJJLMVEK-MRVPVSSYSA-N -1 0 319.383 1.028 20 50 DDGDRM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NNC(=O)C1CCC1 ZINC000831736486 605715390 /nfs/dbraw/zinc/71/53/90/605715390.db2.gz MUPZNBWMLXUMNE-ZDUSSCGKSA-N -1 0 317.345 1.211 20 50 DDGDRM CC(C)c1nnc(CCC(=O)NNc2cccc(C(=O)[O-])c2)o1 ZINC000833512002 605734914 /nfs/dbraw/zinc/73/49/14/605734914.db2.gz KPUONXUITBVSSB-UHFFFAOYSA-N -1 0 318.333 1.967 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cccc(OC(F)F)c1 ZINC000834227499 605750024 /nfs/dbraw/zinc/75/00/24/605750024.db2.gz VVXBZFCKJACBBX-UHFFFAOYSA-N -1 0 301.249 1.396 20 50 DDGDRM C[C@](O)(CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC000833524795 605764358 /nfs/dbraw/zinc/76/43/58/605764358.db2.gz NBOWJXQCYXMTIR-INIZCTEOSA-N -1 0 315.329 1.521 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cc(Cl)ccc1F ZINC000834228224 605795314 /nfs/dbraw/zinc/79/53/14/605795314.db2.gz BCPGQFUZIKFDKI-UHFFFAOYSA-N -1 0 301.705 1.977 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)N[C@@H]1CCCc2occc21 ZINC000834230909 605810208 /nfs/dbraw/zinc/81/02/08/605810208.db2.gz DTOYGFDRQFIETI-SNVBAGLBSA-N -1 0 324.337 1.035 20 50 DDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNc1ccnc(F)c1)C2 ZINC000833988887 605875200 /nfs/dbraw/zinc/87/52/00/605875200.db2.gz WALLFTCIDUAAEO-CLYYMRHHSA-N -1 0 322.340 1.975 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000834045760 606045812 /nfs/dbraw/zinc/04/58/12/606045812.db2.gz UDCBZOQOYDMOKU-SNVBAGLBSA-N -1 0 319.317 1.521 20 50 DDGDRM N#Cc1ccc(C(=O)NN=C[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000833973482 606051526 /nfs/dbraw/zinc/05/15/26/606051526.db2.gz PEDYKWVPAKNLGA-GFCCVEGCSA-N -1 0 300.318 1.664 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000834045662 606052066 /nfs/dbraw/zinc/05/20/66/606052066.db2.gz RYIMUJOKARNCHC-BXUZGUMPSA-N -1 0 317.345 1.482 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1ccc(F)cc1F ZINC000834134668 606079268 /nfs/dbraw/zinc/07/92/68/606079268.db2.gz KFNKDUXTBHZXKW-MRVPVSSYSA-N -1 0 309.219 1.699 20 50 DDGDRM C#CCCCCC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000823837922 608321477 /nfs/dbraw/zinc/32/14/77/608321477.db2.gz ILQJISWLLFGRGH-UHFFFAOYSA-N -1 0 319.756 1.552 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@@H]1C[C@@H]1C1CC1 ZINC000826445184 608578997 /nfs/dbraw/zinc/57/89/97/608578997.db2.gz JYRJWSGARTXVPD-RKDXNWHRSA-N -1 0 319.756 1.404 20 50 DDGDRM C[C@]1(NS(=O)(=O)CBr)CCCC[C@H]1C(=O)[O-] ZINC000833571467 605210780 /nfs/dbraw/zinc/21/07/80/605210780.db2.gz ZVSRNOUOSAKXBC-CBAPKCEASA-N -1 0 314.201 1.292 20 50 DDGDRM N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833072738 600916572 /nfs/dbraw/zinc/91/65/72/600916572.db2.gz YEPYCPGGDXEXSV-STQMWFEESA-N -1 0 315.329 1.210 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NCCSCC(=O)[O-] ZINC000833016976 600934296 /nfs/dbraw/zinc/93/42/96/600934296.db2.gz PKIVQFBOIUNARG-UHFFFAOYSA-N -1 0 319.814 1.286 20 50 DDGDRM N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833062507 601556335 /nfs/dbraw/zinc/55/63/35/601556335.db2.gz MPIJKNYMTYXMMP-VDFGQWLZSA-N -1 0 305.265 1.958 20 50 DDGDRM Cc1ccc(C(=O)[N-]NC(=O)NCC2(C(=O)[O-])CCCC2)o1 ZINC000832911624 601622431 /nfs/dbraw/zinc/62/24/31/601622431.db2.gz HWCSDJATNPUCEI-UHFFFAOYSA-N -1 0 309.322 1.177 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000828309319 602071890 /nfs/dbraw/zinc/07/18/90/602071890.db2.gz BMADZTWIVAEWQN-RKDXNWHRSA-N -1 0 324.402 1.745 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)CCc1ccccc1)CC1CC1 ZINC000831436051 602791713 /nfs/dbraw/zinc/79/17/13/602791713.db2.gz GMXQLONPPKCOJF-UHFFFAOYSA-N -1 0 319.361 1.157 20 50 DDGDRM O=C([O-])NCC1(C(=O)NNC(=O)c2ccccc2)CCCC1 ZINC000832443073 603614820 /nfs/dbraw/zinc/61/48/20/603614820.db2.gz MZRRSPNLDAMLPN-UHFFFAOYSA-N -1 0 305.334 1.276 20 50 DDGDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NNc1ccc(F)cc1 ZINC000826116094 603644961 /nfs/dbraw/zinc/64/49/61/603644961.db2.gz ORYRLPSQTRJFKU-KWQFWETISA-N -1 0 311.313 1.772 20 50 DDGDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccccc1 ZINC000824195951 603657176 /nfs/dbraw/zinc/65/71/76/603657176.db2.gz FUAKRWYLSKOTHW-GFCCVEGCSA-N -1 0 322.365 1.313 20 50 DDGDRM CN(NC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-])c1ccccc1 ZINC000828434959 603853442 /nfs/dbraw/zinc/85/34/42/603853442.db2.gz SDBXADCMIDLHAA-WCQYABFASA-N -1 0 306.366 1.773 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)NC2CCCCC2)C1 ZINC000832279954 603939349 /nfs/dbraw/zinc/93/93/49/603939349.db2.gz SZKXWEQBPGUVGD-GXSJLCMTSA-N -1 0 312.370 1.086 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1 ZINC000831742724 604005560 /nfs/dbraw/zinc/00/55/60/604005560.db2.gz OQJHEMBBWHAAIF-SSDOTTSWSA-N -1 0 318.255 1.686 20 50 DDGDRM C[C@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)NC(=O)[O-] ZINC000824679411 604102021 /nfs/dbraw/zinc/10/20/21/604102021.db2.gz KROXFSVGHFREMB-SNVBAGLBSA-N -1 0 315.333 1.633 20 50 DDGDRM CCN(CCNC(=O)NNc1ccc(Cl)nc1)C(=O)[O-] ZINC000827145686 604115985 /nfs/dbraw/zinc/11/59/85/604115985.db2.gz BHPZDPYPBJDQGS-UHFFFAOYSA-N -1 0 301.734 1.361 20 50 DDGDRM C[C@H](CCNC(=O)NN=c1nc[nH]c2ccsc21)NC(=O)[O-] ZINC000824793238 604268970 /nfs/dbraw/zinc/26/89/70/604268970.db2.gz GZIMCUHAMMOEIG-SSDOTTSWSA-N -1 0 324.366 1.364 20 50 DDGDRM O=C([O-])c1cc(C(=O)NN=c2nc[nH]c3ccsc32)ccn1 ZINC000833148202 604424710 /nfs/dbraw/zinc/42/47/10/604424710.db2.gz DRBHJUHHGCJTNB-UHFFFAOYSA-N -1 0 315.314 1.541 20 50 DDGDRM O=C(CCC1CCCCC1)NNC(=O)NC1CN(C(=O)[O-])C1 ZINC000831424502 604607933 /nfs/dbraw/zinc/60/79/33/604607933.db2.gz RYKYSHLJBKZASR-UHFFFAOYSA-N -1 0 312.370 1.040 20 50 DDGDRM C[C@H](Oc1ccccc1F)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833542837 604806759 /nfs/dbraw/zinc/80/67/59/604806759.db2.gz KTMRNOIATBZZEJ-VIFPVBQESA-N -1 0 319.292 1.830 20 50 DDGDRM COC(=O)C(C)(C)[C@H](NC(=O)NNC(=O)[O-])c1ccccc1 ZINC000828593874 605184184 /nfs/dbraw/zinc/18/41/84/605184184.db2.gz LRBKDSSQGZKUEK-SNVBAGLBSA-N -1 0 309.322 1.409 20 50 DDGDRM CC(C)C(=O)NNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833466978 605227650 /nfs/dbraw/zinc/22/76/50/605227650.db2.gz JEZKEHVHUVBLBK-UHFFFAOYSA-N -1 0 307.350 1.858 20 50 DDGDRM COc1cc[nH]c(=NNC(=O)CN(C(=O)[O-])c2ccccc2)n1 ZINC000829649952 605260080 /nfs/dbraw/zinc/26/00/80/605260080.db2.gz MZMULKRGXWUASM-UHFFFAOYSA-N -1 0 317.305 1.113 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CCCOc2cc3c(cc21)CCC3 ZINC000834199902 605383324 /nfs/dbraw/zinc/38/33/24/605383324.db2.gz SLKJVELIIAFVLJ-UHFFFAOYSA-N -1 0 317.345 1.436 20 50 DDGDRM COc1ccc2[nH]c(=NNC(=O)CNC(=O)[O-])c(C)cc2c1 ZINC000833734901 605412835 /nfs/dbraw/zinc/41/28/35/605412835.db2.gz KKBHKQDLLWQQDH-UHFFFAOYSA-N -1 0 304.306 1.263 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834170052 605508628 /nfs/dbraw/zinc/50/86/28/605508628.db2.gz PVYRCXDYWQTTFZ-NXEZZACHSA-N -1 0 317.349 1.832 20 50 DDGDRM CC(C)c1ccc(C=NNC(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000833510340 605591058 /nfs/dbraw/zinc/59/10/58/605591058.db2.gz ROPNDADHQFAHSD-UHFFFAOYSA-N -1 0 308.294 1.436 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)CCc1ccco1 ZINC000824299723 605678750 /nfs/dbraw/zinc/67/87/50/605678750.db2.gz YSOMTLZMBUIUCI-NSHDSACASA-N -1 0 311.338 1.042 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1ccc(F)c(F)c1F ZINC000834049085 605720245 /nfs/dbraw/zinc/72/02/45/605720245.db2.gz XPIRGLIPVSVBKT-ZETCQYMHSA-N -1 0 321.280 1.600 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NNC(=O)C1CCC1 ZINC000834044264 605742661 /nfs/dbraw/zinc/74/26/61/605742661.db2.gz BYKHFUVVOXZRKO-YPMHNXCESA-N -1 0 309.366 1.438 20 50 DDGDRM CC(C)C(=O)N1CCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833462711 605774002 /nfs/dbraw/zinc/77/40/02/605774002.db2.gz PZUHGSDNYQLNGT-CYBMUJFWSA-N -1 0 319.361 1.475 20 50 DDGDRM Cc1cccc(NNC(=O)C[C@H]2CSCCN2C(=O)[O-])c1 ZINC000830521236 605879902 /nfs/dbraw/zinc/87/99/02/605879902.db2.gz DRRCWZKXUVAFGR-LBPRGKRZSA-N -1 0 309.391 1.924 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)/C=C\Sc1ccccc1 ZINC000834231036 605976799 /nfs/dbraw/zinc/97/67/99/605976799.db2.gz KSESJZDVLZDKQG-NTMALXAHSA-N -1 0 323.374 1.488 20 50 DDGDRM N#Cc1ccc(C(=O)NN=C2CCCN(C(=O)[O-])CC2)cc1 ZINC000833973004 605991587 /nfs/dbraw/zinc/99/15/87/605991587.db2.gz IXVKRXDEMLKDRG-UHFFFAOYSA-N -1 0 300.318 1.808 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1ncccc1C(F)(F)F ZINC000834243039 606006686 /nfs/dbraw/zinc/00/66/86/606006686.db2.gz FZRLJOTZLRTLME-UHFFFAOYSA-N -1 0 319.243 1.001 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)C1CCCC1 ZINC000833831310 606011391 /nfs/dbraw/zinc/01/13/91/606011391.db2.gz QLZSQCSIGZMREU-XHDPSFHLSA-N -1 0 311.382 1.541 20 50 DDGDRM N#Cc1cccc(C(=O)NN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833074022 600748169 /nfs/dbraw/zinc/74/81/69/600748169.db2.gz MIIUTANUKJFDKN-AWEZNQCLSA-N -1 0 313.288 1.758 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000833000830 601211633 /nfs/dbraw/zinc/21/16/33/601211633.db2.gz PSNDQIKRUQYZJO-BDAKNGLRSA-N -1 0 312.757 1.773 20 50 DDGDRM C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000825636748 602265670 /nfs/dbraw/zinc/26/56/70/602265670.db2.gz SFEYHUZILWLGHT-SECBINFHSA-N -1 0 305.359 1.096 20 50 DDGDRM CCOC(=O)NNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827328945 603217869 /nfs/dbraw/zinc/21/78/69/603217869.db2.gz RXZZRZOBSMBPIR-ONGXEEELSA-N -1 0 309.322 1.409 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)NC(=O)[O-] ZINC000824671804 603225517 /nfs/dbraw/zinc/22/55/17/603225517.db2.gz MDNDHFRWCCNCOM-JTQLQIEISA-N -1 0 321.377 1.791 20 50 DDGDRM Cc1csc(CC(=O)NN=Cc2ccc(NC(=O)[O-])nc2)n1 ZINC000830660461 603485160 /nfs/dbraw/zinc/48/51/60/603485160.db2.gz HEBLCYRCOXEZQX-UHFFFAOYSA-N -1 0 319.346 1.629 20 50 DDGDRM C[C@@H](CC(=O)NN=c1[nH]cccc1C(F)(F)F)NC(=O)[O-] ZINC000824679762 603654945 /nfs/dbraw/zinc/65/49/45/603654945.db2.gz NINOMIOCOWZCNJ-LURJTMIESA-N -1 0 306.244 1.590 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823766760 603850107 /nfs/dbraw/zinc/85/01/07/603850107.db2.gz UYLICYYVFUSPQV-NXEZZACHSA-N -1 0 314.386 1.189 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000830870632 603870711 /nfs/dbraw/zinc/87/07/11/603870711.db2.gz LILJEEKIARSPPM-UHFFFAOYSA-N -1 0 316.789 1.515 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000830554706 604074997 /nfs/dbraw/zinc/07/49/97/604074997.db2.gz OTSUMELUPBKDEK-LLVKDONJSA-N -1 0 320.349 1.034 20 50 DDGDRM C[C@@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)NC(=O)[O-] ZINC000824679410 604101955 /nfs/dbraw/zinc/10/19/55/604101955.db2.gz KROXFSVGHFREMB-JTQLQIEISA-N -1 0 315.333 1.633 20 50 DDGDRM C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000825185538 604102010 /nfs/dbraw/zinc/10/20/10/604102010.db2.gz FHNDDIKMGUYXDZ-SECBINFHSA-N -1 0 301.306 1.243 20 50 DDGDRM COc1ccc(NNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000829484612 604221973 /nfs/dbraw/zinc/22/19/73/604221973.db2.gz VHPNXCSBYACDIA-CMPLNLGQSA-N -1 0 307.350 1.965 20 50 DDGDRM COc1cc(F)cc(NNC(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000829141590 604316030 /nfs/dbraw/zinc/31/60/30/604316030.db2.gz DVVGSWGGUKZWHR-UHFFFAOYSA-N -1 0 311.313 1.667 20 50 DDGDRM COc1ccc(C)cc1CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833730512 604806064 /nfs/dbraw/zinc/80/60/64/604806064.db2.gz DYKHJFRLKAWAPE-UHFFFAOYSA-N -1 0 315.329 1.783 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1csc(-c2cccs2)n1 ZINC000834202566 605387928 /nfs/dbraw/zinc/38/79/28/605387928.db2.gz YCSVUUFFPBAQKX-UHFFFAOYSA-N -1 0 310.360 1.589 20 50 DDGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)Cc1ccncc1 ZINC000824760924 605466060 /nfs/dbraw/zinc/46/60/60/605466060.db2.gz ZDPCRYHIOAVCJG-CYBMUJFWSA-N -1 0 304.350 1.649 20 50 DDGDRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NNC(=O)c1ccccc1 ZINC000825831146 605503441 /nfs/dbraw/zinc/50/34/41/605503441.db2.gz KHMPXTONFLXGBI-PWSUYJOCSA-N -1 0 320.349 1.162 20 50 DDGDRM N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000833960273 605617039 /nfs/dbraw/zinc/61/70/39/605617039.db2.gz HISIUAWALGOPTI-FMIVXFBMSA-N -1 0 303.293 1.555 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)N[C@H]1CC12CCCCC2 ZINC000834231099 605710752 /nfs/dbraw/zinc/71/07/52/605710752.db2.gz HAAZDYXDMNLEQF-JTQLQIEISA-N -1 0 312.370 1.087 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834048921 605714823 /nfs/dbraw/zinc/71/48/23/605714823.db2.gz VOGAYSFQLBIMQH-VIFPVBQESA-N -1 0 312.307 1.091 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NNc1ccc(F)c(F)c1F ZINC000834172268 605721190 /nfs/dbraw/zinc/72/11/90/605721190.db2.gz JWDZWCCNMFPTFW-HTRCEHHLSA-N -1 0 317.267 1.983 20 50 DDGDRM CC1=C(C(=O)NNc2cccc(C(=O)[O-])c2)C(=O)OC1(C)C ZINC000833575411 605737902 /nfs/dbraw/zinc/73/79/02/605737902.db2.gz ADXWKZUSDDGSPW-UHFFFAOYSA-N -1 0 304.302 1.480 20 50 DDGDRM C[C@@H](O)CC(C)(C)CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833527669 605744029 /nfs/dbraw/zinc/74/40/29/605744029.db2.gz LSDCQWDHPWPNCK-SNVBAGLBSA-N -1 0 309.366 1.808 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)Nc1ccc(Cl)cc1 ZINC000834232527 605817153 /nfs/dbraw/zinc/81/71/53/605817153.db2.gz RZPUYLORHQLZJP-UHFFFAOYSA-N -1 0 314.729 1.541 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)CCc1ccccc1O ZINC000834167208 605860799 /nfs/dbraw/zinc/86/07/99/605860799.db2.gz AVKHTMUCUCUWFG-LLVKDONJSA-N -1 0 305.334 1.617 20 50 DDGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2ccncc2Cl)CC1 ZINC000834047304 605949990 /nfs/dbraw/zinc/94/99/90/605949990.db2.gz DLHTZVBFOJLKFT-VIFPVBQESA-N -1 0 324.768 1.380 20 50 DDGDRM O=C([O-])Nc1ccc(F)c(NC(=O)NNC(=O)C2CCC2)c1 ZINC000834261012 605972350 /nfs/dbraw/zinc/97/23/50/605972350.db2.gz GEMDMMDMGUXBSI-UHFFFAOYSA-N -1 0 310.285 1.868 20 50 DDGDRM CCCN(CCNC(=O)NNC(=O)CC(C)(C)C)C(=O)[O-] ZINC000833855263 605999029 /nfs/dbraw/zinc/99/90/29/605999029.db2.gz RJQXQPRMRTXPQS-UHFFFAOYSA-N -1 0 302.375 1.143 20 50 DDGDRM CCCN(CCNC(=O)NNc1cncc(Cl)n1)C(=O)[O-] ZINC000833855240 606015783 /nfs/dbraw/zinc/01/57/83/606015783.db2.gz QOUREXORILIXME-UHFFFAOYSA-N -1 0 316.749 1.146 20 50 DDGDRM O=C(C[C@@H]1C=CCC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826403898 608572261 /nfs/dbraw/zinc/57/22/61/608572261.db2.gz HKHOEVQERGHITO-MRVPVSSYSA-N -1 0 319.756 1.715 20 50 DDGDRM Cc1ncsc1C(=O)NN[C@@H](C(=O)[O-])c1ccccc1F ZINC000833010801 600748106 /nfs/dbraw/zinc/74/81/06/600748106.db2.gz ULGSBLLBIKJLCO-SNVBAGLBSA-N -1 0 309.322 1.651 20 50 DDGDRM N#Cc1cccc([C@@H](NNC(=O)CC2CCCC2)C(=O)[O-])c1 ZINC000833076801 601304634 /nfs/dbraw/zinc/30/46/34/601304634.db2.gz ZCSMPQXUBUTJKY-OAHLLOKOSA-N -1 0 301.346 1.885 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)C2CCC2)cc(C)c1OCC(=O)[O-] ZINC000832864992 601686974 /nfs/dbraw/zinc/68/69/74/601686974.db2.gz ZGFIWKUFEZYHQP-UHFFFAOYSA-N -1 0 320.345 1.328 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000823841521 602038541 /nfs/dbraw/zinc/03/85/41/602038541.db2.gz FYPBAOLWMIRQND-CQSZACIVSA-N -1 0 313.785 1.676 20 50 DDGDRM COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](C)CC(=O)[O-] ZINC000832004979 602082392 /nfs/dbraw/zinc/08/23/92/602082392.db2.gz XZMJQLVXZMCJEX-ZETCQYMHSA-N -1 0 314.725 1.220 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNC(=O)c1ccccc1F ZINC000831338633 603222760 /nfs/dbraw/zinc/22/27/60/603222760.db2.gz ADRJAOFLWUWCAJ-VIFPVBQESA-N -1 0 309.297 1.119 20 50 DDGDRM CC(C)(CNC(=O)NNc1ccc(Cl)nc1)NC(=O)[O-] ZINC000823941684 603449965 /nfs/dbraw/zinc/44/99/65/603449965.db2.gz WBFUNRITNAGLKA-UHFFFAOYSA-N -1 0 301.734 1.407 20 50 DDGDRM Cc1cccc(NC(=S)NNC(=O)[C@H](C)CN(C)C(=O)[O-])c1 ZINC000830523043 603539593 /nfs/dbraw/zinc/53/95/93/603539593.db2.gz XGCRVOYUNHNLQD-SNVBAGLBSA-N -1 0 324.406 1.559 20 50 DDGDRM C[C@H](CC(=O)NNc1ccc(Br)nc1)NC(=O)[O-] ZINC000824678869 603614158 /nfs/dbraw/zinc/61/41/58/603614158.db2.gz FKTRGGMSEYXOSL-ZCFIWIBFSA-N -1 0 317.143 1.333 20 50 DDGDRM C[C@H](C(=O)NNc1cnccn1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823704809 603620552 /nfs/dbraw/zinc/62/05/52/603620552.db2.gz UCFWYZCLCUELMG-GXFFZTMASA-N -1 0 315.333 1.565 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000823754348 603780215 /nfs/dbraw/zinc/78/02/15/603780215.db2.gz INBYJZNVMMJGQG-VHSXEESVSA-N -1 0 314.386 1.189 20 50 DDGDRM Cc1cccc(OCC(=O)NN=CC2CCN(C(=O)[O-])CC2)c1 ZINC000830526879 603855506 /nfs/dbraw/zinc/85/55/06/603855506.db2.gz DEVKUTBJDYHBCB-UHFFFAOYSA-N -1 0 319.361 1.866 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)Cc2ccc(F)cc2)CC1 ZINC000831557706 603858227 /nfs/dbraw/zinc/85/82/27/603858227.db2.gz LBAUVZFTPFVDTP-UHFFFAOYSA-N -1 0 307.325 1.860 20 50 DDGDRM Cc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1NC(=O)[O-] ZINC000830225853 604031550 /nfs/dbraw/zinc/03/15/50/604031550.db2.gz YTPUCDCJKUTDIY-UHFFFAOYSA-N -1 0 324.406 1.992 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1 ZINC000824867076 604058720 /nfs/dbraw/zinc/05/87/20/604058720.db2.gz AOPWENISEGBHJJ-QMMMGPOBSA-N -1 0 313.741 1.347 20 50 DDGDRM O=C([O-])NNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000832748498 604231647 /nfs/dbraw/zinc/23/16/47/604231647.db2.gz MQWXJMLBXHYYQD-LURJTMIESA-N -1 0 306.105 1.909 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000827304214 604280970 /nfs/dbraw/zinc/28/09/70/604280970.db2.gz RFAOPHROBVSQFA-SSDOTTSWSA-N -1 0 322.346 1.010 20 50 DDGDRM Cc1c(I)cccc1C(=O)NNC(=O)[O-] ZINC000829871854 604418868 /nfs/dbraw/zinc/41/88/68/604418868.db2.gz LVBHLTVDTVVVFR-UHFFFAOYSA-N -1 0 320.086 1.512 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000830568016 604495072 /nfs/dbraw/zinc/49/50/72/604495072.db2.gz WMHLVLQLMRFWGJ-CYBMUJFWSA-N -1 0 319.361 1.217 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000830568186 604497048 /nfs/dbraw/zinc/49/70/48/604497048.db2.gz YWBFLIMOZRQDMN-ZDUSSCGKSA-N -1 0 319.361 1.217 20 50 DDGDRM CN(C(=O)[O-])c1ccc(NC(=O)NNc2cnccn2)cc1 ZINC000833685040 604730826 /nfs/dbraw/zinc/73/08/26/604730826.db2.gz BRZAQOIFPCRLTH-UHFFFAOYSA-N -1 0 302.294 1.739 20 50 DDGDRM CCCNC(=O)NNC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000826925718 604776836 /nfs/dbraw/zinc/77/68/36/604776836.db2.gz KPMOOENBHOAGFT-JTQLQIEISA-N -1 0 314.386 1.143 20 50 DDGDRM COc1ccccc1C(=O)NN[C@H](C(=O)[O-])c1cccnc1 ZINC000832588194 605001128 /nfs/dbraw/zinc/00/11/28/605001128.db2.gz BJFQBEHBZHFRNU-ZDUSSCGKSA-N -1 0 301.302 1.151 20 50 DDGDRM COc1ccc(NNC(=O)CCCNC(=O)[O-])cc1Cl ZINC000833733656 605244942 /nfs/dbraw/zinc/24/49/42/605244942.db2.gz WZFTUPNVFAZCNO-UHFFFAOYSA-N -1 0 301.730 1.840 20 50 DDGDRM CC(=NNC(=O)c1cnccn1)c1ccccc1OCC(=O)[O-] ZINC000833384638 605325861 /nfs/dbraw/zinc/32/58/61/605325861.db2.gz LBQYJGWCARKGOF-UHFFFAOYSA-N -1 0 314.301 1.094 20 50 DDGDRM N#CC1(c2ccccc2)CCC(=NNC(=O)CNC(=O)[O-])CC1 ZINC000833963922 605385672 /nfs/dbraw/zinc/38/56/72/605385672.db2.gz WTIMRGIXTCTDFX-UHFFFAOYSA-N -1 0 314.345 1.762 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000831742940 605408472 /nfs/dbraw/zinc/40/84/72/605408472.db2.gz WPVOIPQSYVMAOU-SECBINFHSA-N -1 0 308.294 1.428 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC000833384251 605586294 /nfs/dbraw/zinc/58/62/94/605586294.db2.gz FWILPWVOOUPQED-UHFFFAOYSA-N -1 0 323.740 1.335 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1nc(-c2ccccc2)[nH]c1C ZINC000833384890 605586968 /nfs/dbraw/zinc/58/69/68/605586968.db2.gz OVYDTEIIUDOACP-UHFFFAOYSA-N -1 0 315.333 1.493 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1cnccn1 ZINC000834044197 605722293 /nfs/dbraw/zinc/72/22/93/605722293.db2.gz BDMNBYDQOYLMCD-GXFFZTMASA-N -1 0 317.349 1.505 20 50 DDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)Cc1ccsc1 ZINC000823847398 605725021 /nfs/dbraw/zinc/72/50/21/605725021.db2.gz QCROMPKBQNYQJL-SNVBAGLBSA-N -1 0 313.379 1.120 20 50 DDGDRM O=C([O-])NCCC(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000834228365 605737996 /nfs/dbraw/zinc/73/79/96/605737996.db2.gz IYRROQHJOQCLNW-UHFFFAOYSA-N -1 0 321.255 1.729 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1C[C@H]2CCCc3cccc1c32 ZINC000834227355 605749331 /nfs/dbraw/zinc/74/93/31/605749331.db2.gz CWRDYGOIZDYHKE-LLVKDONJSA-N -1 0 301.346 1.988 20 50 DDGDRM C[C@@](O)(CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC000833524797 605764366 /nfs/dbraw/zinc/76/43/66/605764366.db2.gz NBOWJXQCYXMTIR-MRXNPFEDSA-N -1 0 315.329 1.521 20 50 DDGDRM N#Cc1ccc(OCC(=O)NN=C2CCC[C@H]2NC(=O)[O-])cc1 ZINC000833977150 605856331 /nfs/dbraw/zinc/85/63/31/605856331.db2.gz LNKLKQOGRROXHU-GFCCVEGCSA-N -1 0 316.317 1.229 20 50 DDGDRM O=C([O-])NC[C@@H](C(=O)NNc1ccnc(F)c1)c1ccccc1 ZINC000834210683 605874630 /nfs/dbraw/zinc/87/46/30/605874630.db2.gz SEWCWEPSNAPXHM-GFCCVEGCSA-N -1 0 318.308 1.715 20 50 DDGDRM COc1ccc(NNC(=O)c2cc(C(=O)[O-])no2)c([N+](=O)[O-])c1 ZINC000833733590 605879296 /nfs/dbraw/zinc/87/92/96/605879296.db2.gz VRNFULRSWPXRBR-UHFFFAOYSA-N -1 0 322.233 1.047 20 50 DDGDRM O=C(C=C1CCCC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826400052 608576466 /nfs/dbraw/zinc/57/64/66/608576466.db2.gz NTSDSSYQCIWFAJ-UHFFFAOYSA-N -1 0 319.756 1.859 20 50 DDGDRM COc1cc(OC)cc([C@@H](NNC(=O)C2CCCC2)C(=O)[O-])c1 ZINC000832056676 602167335 /nfs/dbraw/zinc/16/73/35/602167335.db2.gz HCPUPCONUALORB-CQSZACIVSA-N -1 0 322.361 1.641 20 50 DDGDRM O=C([O-])NC[C@H](C(=O)NNC(=O)C1CCCC1)c1ccccc1 ZINC000832406992 603318644 /nfs/dbraw/zinc/31/86/44/603318644.db2.gz FDGHSKXBDPZRDS-ZDUSSCGKSA-N -1 0 319.361 1.375 20 50 DDGDRM CC[C@H]1Oc2cc([C@@H](C)NC(=O)NNC(=O)[O-])ccc2NC1=O ZINC000826698909 603466362 /nfs/dbraw/zinc/46/63/62/603466362.db2.gz IGIRXHOEUYBTBQ-GMSGAONNSA-N -1 0 322.321 1.339 20 50 DDGDRM Cc1cc(NNC(=O)c2ccc(C)c(NC(=O)[O-])c2)ncn1 ZINC000830122529 603621076 /nfs/dbraw/zinc/62/10/76/603621076.db2.gz NDYPBAFMSXFKPR-UHFFFAOYSA-N -1 0 301.306 1.940 20 50 DDGDRM Cc1cc(NNC(=O)[C@H](CNC(=O)[O-])c2ccccc2)ncn1 ZINC000830123585 603621238 /nfs/dbraw/zinc/62/12/38/603621238.db2.gz XCIHXSVUHFNPJA-GFCCVEGCSA-N -1 0 315.333 1.280 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000830553501 603673939 /nfs/dbraw/zinc/67/39/39/603673939.db2.gz IFNPBPQRGUJJQV-LLVKDONJSA-N -1 0 320.349 1.081 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccncc2Cl)cc1 ZINC000832701699 603805734 /nfs/dbraw/zinc/80/57/34/603805734.db2.gz FOOPKHPNVMOFJO-UHFFFAOYSA-N -1 0 320.736 1.681 20 50 DDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NN=c1nccc[nH]1)C2 ZINC000831308391 603834210 /nfs/dbraw/zinc/83/42/10/603834210.db2.gz QMVNKDYXABKCTB-FGWVZKOKSA-N -1 0 305.338 1.231 20 50 DDGDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccccc1 ZINC000826794071 603876093 /nfs/dbraw/zinc/87/60/93/603876093.db2.gz HBKNEKVNWRMJCB-LBPRGKRZSA-N -1 0 322.365 1.457 20 50 DDGDRM CC(C)(CC(=O)NNc1nc(=O)c2ccccc2[nH]1)NC(=O)[O-] ZINC000823882367 604003894 /nfs/dbraw/zinc/00/38/94/604003894.db2.gz SRMBKARKKQFLKZ-UHFFFAOYSA-N -1 0 319.321 1.215 20 50 DDGDRM C[C@@]1(C(=O)NNc2cc(F)c(F)c(F)c2)CCN(C(=O)[O-])C1 ZINC000825673099 604067670 /nfs/dbraw/zinc/06/76/70/604067670.db2.gz MKOBOEJOBFPTCR-CYBMUJFWSA-N -1 0 317.267 1.937 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)c1 ZINC000829141848 604315883 /nfs/dbraw/zinc/31/58/83/604315883.db2.gz JRTCZFMYIBPSRC-CYBMUJFWSA-N -1 0 315.276 1.369 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNC(=O)CC(F)(F)F)c1 ZINC000833765508 604810312 /nfs/dbraw/zinc/81/03/12/604810312.db2.gz AWRKPYFGTPTJKN-UHFFFAOYSA-N -1 0 304.224 1.027 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC000833149275 604988398 /nfs/dbraw/zinc/98/83/98/604988398.db2.gz LBCIOTGCDFCGNR-LBPRGKRZSA-N -1 0 305.721 1.795 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000824867791 605125322 /nfs/dbraw/zinc/12/53/22/605125322.db2.gz FOGKCYGCTJZFKB-ZETCQYMHSA-N -1 0 309.351 1.380 20 50 DDGDRM CN(NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000828434933 605245294 /nfs/dbraw/zinc/24/52/94/605245294.db2.gz RIPQNFPMAOVVKV-CYBMUJFWSA-N -1 0 307.350 1.313 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000824231841 605292800 /nfs/dbraw/zinc/29/28/00/605292800.db2.gz NPPYKGCGGROYKN-UHFFFAOYSA-N -1 0 307.350 1.755 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NN=c2ccc3ccccc3[nH]2)C1 ZINC000834086559 605321505 /nfs/dbraw/zinc/32/15/05/605321505.db2.gz VHWCTNKUZSVHFZ-OAHLLOKOSA-N -1 0 318.308 1.770 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cc(C(F)(F)F)ccc1F ZINC000834199804 605386719 /nfs/dbraw/zinc/38/67/19/605386719.db2.gz NYMLURQSTVGVHM-UHFFFAOYSA-N -1 0 307.203 1.562 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)c1ccncc1)c1ccccc1 ZINC000831450803 605569899 /nfs/dbraw/zinc/56/98/99/605569899.db2.gz JJGJTFJIMYNVHK-UHFFFAOYSA-N -1 0 314.301 1.027 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1cnn(-c2ccccc2)c1C ZINC000833385286 605587397 /nfs/dbraw/zinc/58/73/97/605587397.db2.gz VBTUVIROHFITNV-UHFFFAOYSA-N -1 0 315.333 1.289 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1c(Cl)nc2ccccn21 ZINC000833384113 605589059 /nfs/dbraw/zinc/58/90/59/605589059.db2.gz CBYHYEYTMCCNBL-UHFFFAOYSA-N -1 0 309.713 1.096 20 50 DDGDRM CCCOc1ccc(C=NNC(=O)NCC(=O)[O-])cc1OCC ZINC000833651974 605591351 /nfs/dbraw/zinc/59/13/51/605591351.db2.gz JMBZAAQXYGJRSA-UHFFFAOYSA-N -1 0 323.349 1.592 20 50 DDGDRM N#Cc1ccc(NNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000833974607 605719036 /nfs/dbraw/zinc/71/90/36/605719036.db2.gz KATAXSFHDQQVRT-WCQYABFASA-N -1 0 302.334 1.828 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000833455387 605719630 /nfs/dbraw/zinc/71/96/30/605719630.db2.gz BWDZXIGJPPKWIN-UHFFFAOYSA-N -1 0 320.271 1.830 20 50 DDGDRM CC(C)[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)N1CCCC1=O ZINC000833464725 605732593 /nfs/dbraw/zinc/73/25/93/605732593.db2.gz CGPXFPHJQFUTDO-AWEZNQCLSA-N -1 0 319.361 1.475 20 50 DDGDRM O=C([O-])N1CCO[C@H](C(=O)NNc2cccc3cnccc32)C1 ZINC000834046656 605739553 /nfs/dbraw/zinc/73/95/53/605739553.db2.gz APOFQKLMBXLZGE-ZDUSSCGKSA-N -1 0 316.317 1.057 20 50 DDGDRM CC(C)(C)C(=O)NCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833421934 605740682 /nfs/dbraw/zinc/74/06/82/605740682.db2.gz MYMDESRTSWOABY-UHFFFAOYSA-N -1 0 322.365 1.173 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(Br)s1 ZINC000834227654 605747823 /nfs/dbraw/zinc/74/78/23/605747823.db2.gz YXZOGMNFGLZKRW-UHFFFAOYSA-N -1 0 320.168 1.618 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(N2CCCCC2)o1 ZINC000834229047 605797990 /nfs/dbraw/zinc/79/79/90/605797990.db2.gz ZFZSUWBSNLJMCH-UHFFFAOYSA-N -1 0 322.365 1.768 20 50 DDGDRM COCCCNC(=O)NNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000828950411 605808602 /nfs/dbraw/zinc/80/86/02/605808602.db2.gz IIMRVCWZSPOPPA-UHFFFAOYSA-N -1 0 324.337 1.065 20 50 DDGDRM O=C([O-])NCCCC(=O)OCCCI ZINC000834231402 605863114 /nfs/dbraw/zinc/86/31/14/605863114.db2.gz HITWYMPMWZWSOC-UHFFFAOYSA-N -1 0 315.107 1.403 20 50 DDGDRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NN=c2[nH]cccc2Cl)CC1 ZINC000834047987 605929424 /nfs/dbraw/zinc/92/94/24/605929424.db2.gz IOCJIMKSGGOUFT-SECBINFHSA-N -1 0 324.768 1.958 20 50 DDGDRM O=C([O-])N1CCc2cc(NC(=O)NNC(=O)C3CCC3)ccc21 ZINC000834046017 605970617 /nfs/dbraw/zinc/97/06/17/605970617.db2.gz VYIMOCWSZJYJSB-UHFFFAOYSA-N -1 0 318.333 1.680 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C1(c2ccccc2)CCC1 ZINC000834228554 605973673 /nfs/dbraw/zinc/97/36/73/605973673.db2.gz KYLQMSWBWZAWJL-UHFFFAOYSA-N -1 0 319.361 1.304 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)COCc2ccccc2)C1 ZINC000834012224 606053131 /nfs/dbraw/zinc/05/31/31/606053131.db2.gz WWTXZLOVNAGTIK-AWEZNQCLSA-N -1 0 319.361 1.695 20 50 DDGDRM N#Cc1cccc(C(=O)NN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833074078 601304355 /nfs/dbraw/zinc/30/43/55/601304355.db2.gz NVTMKSONKFLRSD-OAHLLOKOSA-N -1 0 320.308 1.490 20 50 DDGDRM Cc1cccc(NC(=S)NNC(=O)[C@@H](C)CC(=O)[O-])c1C ZINC000832971250 602266547 /nfs/dbraw/zinc/26/65/47/602266547.db2.gz SMYTXBDFLBZEEH-VIFPVBQESA-N -1 0 309.391 1.732 20 50 DDGDRM C[C@@H](C(=O)NNC(=O)NC1CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702371 603413507 /nfs/dbraw/zinc/41/35/07/603413507.db2.gz KAWVKCKGIYOUSM-BXKDBHETSA-N -1 0 320.349 1.124 20 50 DDGDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NNC(=O)OC(C)(C)C ZINC000826116004 603630332 /nfs/dbraw/zinc/63/03/32/603630332.db2.gz NSWHAKHYEVHRRD-HTQZYQBOSA-N -1 0 317.342 1.046 20 50 DDGDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NNC(=O)OC(C)(C)C ZINC000826116007 603630411 /nfs/dbraw/zinc/63/04/11/603630411.db2.gz NSWHAKHYEVHRRD-YUMQZZPRSA-N -1 0 317.342 1.046 20 50 DDGDRM C[C@@H](C(=O)NNc1cccnn1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702728 603636391 /nfs/dbraw/zinc/63/63/91/603636391.db2.gz LWTJBWQZRXTBAG-MFKMUULPSA-N -1 0 315.333 1.565 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000824231241 603740163 /nfs/dbraw/zinc/74/01/63/603740163.db2.gz FNSJUHVELNBMJS-ONGXEEELSA-N -1 0 315.370 1.073 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2ccc(F)cc2F)C1 ZINC000831907370 603883596 /nfs/dbraw/zinc/88/35/96/603883596.db2.gz CKYSJHNWCYCDDL-GFCCVEGCSA-N -1 0 303.240 1.500 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000829101663 603966868 /nfs/dbraw/zinc/96/68/68/603966868.db2.gz KNOQRQAODBWVFE-UHFFFAOYSA-N -1 0 317.305 1.640 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NNC(=O)c1ccoc1 ZINC000832357235 603973045 /nfs/dbraw/zinc/97/30/45/603973045.db2.gz GSRDXBRBNFQGLP-RYUDHWBXSA-N -1 0 323.349 1.647 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831742457 604007681 /nfs/dbraw/zinc/00/76/81/604007681.db2.gz GPASFOHBAGPJAY-SSDOTTSWSA-N -1 0 317.267 1.937 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000829142967 604316219 /nfs/dbraw/zinc/31/62/19/604316219.db2.gz VZNJCDBTFVFJOQ-SECBINFHSA-N -1 0 311.313 1.667 20 50 DDGDRM C[C@H](Cc1ccccc1Br)NC(=O)NNC(=O)[O-] ZINC000825024612 604415995 /nfs/dbraw/zinc/41/59/95/604415995.db2.gz UHWQOHLJASRDLH-SSDOTTSWSA-N -1 0 316.155 1.862 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1cnc(C2CCC2)s1 ZINC000832653251 604420401 /nfs/dbraw/zinc/42/04/01/604420401.db2.gz UGBICADBBVMOSA-UHFFFAOYSA-N -1 0 311.367 1.311 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNC(=O)NC2CCCC2)c1 ZINC000833765881 604725647 /nfs/dbraw/zinc/72/56/47/604725647.db2.gz TWLBRDPEISYNTK-UHFFFAOYSA-N -1 0 305.334 1.200 20 50 DDGDRM C[C@H]1CCC[C@@H](OCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)C1 ZINC000833609786 604805217 /nfs/dbraw/zinc/80/52/17/604805217.db2.gz SMABRKOAXTZVMQ-CMPLNLGQSA-N -1 0 307.350 1.818 20 50 DDGDRM CC(C)C(=O)NNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000833467287 605227879 /nfs/dbraw/zinc/22/78/79/605227879.db2.gz MVFFCJJBEGQIJC-UHFFFAOYSA-N -1 0 308.338 1.605 20 50 DDGDRM CC(C)CCC(=O)NCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833484606 605260400 /nfs/dbraw/zinc/26/04/00/605260400.db2.gz XNIJOSZKMBJGBC-UHFFFAOYSA-N -1 0 307.350 1.380 20 50 DDGDRM C[C@@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCN(C(=O)[O-])C1 ZINC000825677478 605407245 /nfs/dbraw/zinc/40/72/45/605407245.db2.gz GXNJHPZVQIQPCK-CYBMUJFWSA-N -1 0 308.294 1.428 20 50 DDGDRM Cc1c(C=NNC(=O)NCC(=O)[O-])sc2nc(C)nc(C)c12 ZINC000833754740 605589031 /nfs/dbraw/zinc/58/90/31/605589031.db2.gz GDFAYXCGWFSKOA-UHFFFAOYSA-N -1 0 321.362 1.334 20 50 DDGDRM O=C([O-])N1CCc2c1cccc2NC(=O)NNc1cnccn1 ZINC000834047357 605659174 /nfs/dbraw/zinc/65/91/74/605659174.db2.gz FFOOOYOGVATEIB-UHFFFAOYSA-N -1 0 314.305 1.666 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cnc(-c2ccncc2)s1 ZINC000834227383 605746916 /nfs/dbraw/zinc/74/69/16/605746916.db2.gz RCZPPRDROBHXNB-UHFFFAOYSA-N -1 0 319.346 1.313 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CCOc2c(F)cc(F)cc21 ZINC000834227946 605747787 /nfs/dbraw/zinc/74/77/87/605747787.db2.gz UQDZARAQPJSCIN-UHFFFAOYSA-N -1 0 313.260 1.225 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CCN(CCC(F)(F)F)CC1 ZINC000834227870 605747871 /nfs/dbraw/zinc/74/78/71/605747871.db2.gz PUNSYDNVZMEJNB-UHFFFAOYSA-N -1 0 324.303 1.165 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCCc2c(O)cccc21 ZINC000834229598 605798893 /nfs/dbraw/zinc/79/88/93/605798893.db2.gz OKTGRLKJQDCFFS-UHFFFAOYSA-N -1 0 305.334 1.597 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000834170091 605859324 /nfs/dbraw/zinc/85/93/24/605859324.db2.gz QUTZQUBNPVDSHA-ZWNOBZJWSA-N -1 0 303.318 1.282 20 50 DDGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NN=c2[nH]cccc2Cl)CC1 ZINC000834047988 605929428 /nfs/dbraw/zinc/92/94/28/605929428.db2.gz IOCJIMKSGGOUFT-VIFPVBQESA-N -1 0 324.768 1.958 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNc1cnnc2ccccc21 ZINC000834234824 605937889 /nfs/dbraw/zinc/93/78/89/605937889.db2.gz XKEVWBPNKIYDFB-UHFFFAOYSA-N -1 0 303.322 1.511 20 50 DDGDRM O=C([O-])N(CC(=O)NN=c1[nH]cccc1C(F)(F)F)C1CC1 ZINC000834001494 605989759 /nfs/dbraw/zinc/98/97/59/605989759.db2.gz LEJHDXQPCYDWPT-UHFFFAOYSA-N -1 0 318.255 1.686 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832977577 600834774 /nfs/dbraw/zinc/83/47/74/600834774.db2.gz UUFWIWQDWVXGPE-RYUDHWBXSA-N -1 0 304.346 1.647 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1 ZINC000833148951 600835223 /nfs/dbraw/zinc/83/52/23/600835223.db2.gz BRPFCLXXZFFNFZ-GHMZBOCLSA-N -1 0 324.764 1.992 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccco2)C1 ZINC000833103522 600918557 /nfs/dbraw/zinc/91/85/57/600918557.db2.gz PNFJGLCNVJPHKS-QWRGUYRKSA-N -1 0 308.334 1.251 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC000831972071 601108341 /nfs/dbraw/zinc/10/83/41/601108341.db2.gz DRYUYKMXYMQNNF-UHFFFAOYSA-N -1 0 319.321 1.194 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000833000831 601211715 /nfs/dbraw/zinc/21/17/15/601211715.db2.gz PSNDQIKRUQYZJO-DTWKUNHWSA-N -1 0 312.757 1.773 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000833149358 601427209 /nfs/dbraw/zinc/42/72/09/601427209.db2.gz NWPHZGWNJDNYHJ-CYBMUJFWSA-N -1 0 315.285 1.655 20 50 DDGDRM Cc1cc(C(=O)NN=c2nccc[nH]2)cc(C)c1OCC(=O)[O-] ZINC000832864851 601675068 /nfs/dbraw/zinc/67/50/68/601675068.db2.gz VHCMHKUJUPYKBV-UHFFFAOYSA-N -1 0 316.317 1.314 20 50 DDGDRM N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000833062646 601789486 /nfs/dbraw/zinc/78/94/86/601789486.db2.gz CZTYFANIRSXCMQ-ZSOIEALJSA-N -1 0 309.325 1.979 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)Cc1cccc2ccccc21 ZINC000827304213 602081766 /nfs/dbraw/zinc/08/17/66/602081766.db2.gz RDZGOWIQCFIQIJ-NSHDSACASA-N -1 0 314.341 1.641 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc2ccccc2c1 ZINC000827304066 602103835 /nfs/dbraw/zinc/10/38/35/602103835.db2.gz OJZXVWTZCLRFIK-JTQLQIEISA-N -1 0 300.314 1.712 20 50 DDGDRM Cc1cc(C)nc(-n2cc(C(=O)NNC(=O)[O-])c(C(C)C)n2)n1 ZINC000830024484 603218837 /nfs/dbraw/zinc/21/88/37/603218837.db2.gz FQHWIUPNTVFANC-UHFFFAOYSA-N -1 0 318.337 1.315 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000824170264 603436138 /nfs/dbraw/zinc/43/61/38/603436138.db2.gz IRCYROPOYWKPJG-ZDUSSCGKSA-N -1 0 321.377 1.449 20 50 DDGDRM COc1cccc(-c2noc([C@H](C)NC(=O)NNC(=O)[O-])n2)c1 ZINC000829532152 603439251 /nfs/dbraw/zinc/43/92/51/603439251.db2.gz WLQJFAXUJDUXPM-ZETCQYMHSA-N -1 0 321.293 1.288 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1Cc2ccc(Cl)cc2C1 ZINC000832652484 603631705 /nfs/dbraw/zinc/63/17/05/603631705.db2.gz CCURUPRMIJUQNF-UHFFFAOYSA-N -1 0 310.741 1.361 20 50 DDGDRM C[C@H](C(=O)NNc1cccnn1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702726 603636596 /nfs/dbraw/zinc/63/65/96/603636596.db2.gz LWTJBWQZRXTBAG-GXFFZTMASA-N -1 0 315.333 1.565 20 50 DDGDRM Cc1ccc(NNC(=O)N[C@@H](CNC(=O)[O-])CC(C)C)nn1 ZINC000830395621 603666908 /nfs/dbraw/zinc/66/69/08/603666908.db2.gz IKRKRFYZTHQPLB-SNVBAGLBSA-N -1 0 310.358 1.093 20 50 DDGDRM COc1ccc(NNC(=O)C2(CNC(=O)[O-])CCCC2)cc1 ZINC000829480031 603797548 /nfs/dbraw/zinc/79/75/48/603797548.db2.gz RKLLPENGGFOOKJ-UHFFFAOYSA-N -1 0 307.350 1.966 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NN=c1[nH]cccc1C(F)(F)F ZINC000823964729 603799283 /nfs/dbraw/zinc/79/92/83/603799283.db2.gz KUCYLNYEZFWXHL-UHFFFAOYSA-N -1 0 320.271 1.837 20 50 DDGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccncc2Cl)c(O)c1 ZINC000832837864 603805745 /nfs/dbraw/zinc/80/57/45/603805745.db2.gz AAYFUFNBDWVSEQ-UHFFFAOYSA-N -1 0 322.708 1.709 20 50 DDGDRM COc1ccccc1C(=O)NN=CC1CCN(C(=O)[O-])CC1 ZINC000829586432 603860460 /nfs/dbraw/zinc/86/04/60/603860460.db2.gz XXIMUYHARZNIBM-UHFFFAOYSA-N -1 0 305.334 1.801 20 50 DDGDRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NN=c1cccc[nH]1 ZINC000832515662 603863073 /nfs/dbraw/zinc/86/30/73/603863073.db2.gz RJLHRFLKWNUHAS-GHMZBOCLSA-N -1 0 307.354 1.534 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000829102315 603968120 /nfs/dbraw/zinc/96/81/20/603968120.db2.gz WOKFYDAVFICHTP-UHFFFAOYSA-N -1 0 317.305 1.640 20 50 DDGDRM CCC[C@H](NC(=O)[O-])C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000826757415 604007066 /nfs/dbraw/zinc/00/70/66/604007066.db2.gz FYNDWYYRCGJTSS-VIFPVBQESA-N -1 0 305.256 1.983 20 50 DDGDRM O=C([O-])N1CCC(C(=O)NNc2cc(F)c(F)c(F)c2)CC1 ZINC000831742556 604007856 /nfs/dbraw/zinc/00/78/56/604007856.db2.gz KBKDSXNHBBJCCM-UHFFFAOYSA-N -1 0 317.267 1.937 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000830568127 604497245 /nfs/dbraw/zinc/49/72/45/604497245.db2.gz YGPDYTUPIQLUQZ-STQMWFEESA-N -1 0 319.361 1.121 20 50 DDGDRM C[C@@H]1CCC[C@H](OCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)C1 ZINC000833609793 604805246 /nfs/dbraw/zinc/80/52/46/604805246.db2.gz SMABRKOAXTZVMQ-PWSUYJOCSA-N -1 0 307.350 1.818 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1cc2ccccc2o1)c1cccnc1 ZINC000833149128 605006683 /nfs/dbraw/zinc/00/66/83/605006683.db2.gz GAEBJXSEKFOTLU-AWEZNQCLSA-N -1 0 311.297 1.888 20 50 DDGDRM O=C([O-])N1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000831742992 605176110 /nfs/dbraw/zinc/17/61/10/605176110.db2.gz YSBYMAHMRMSKNF-VIFPVBQESA-N -1 0 308.294 1.428 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NN=c2cc(Cl)cc[nH]2)C1 ZINC000834083193 605475990 /nfs/dbraw/zinc/47/59/90/605475990.db2.gz HKBKSZUJWDEUKY-NSHDSACASA-N -1 0 302.693 1.270 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000833970938 605516395 /nfs/dbraw/zinc/51/63/95/605516395.db2.gz YODGFRKJSWVFOQ-BDAKNGLRSA-N -1 0 323.740 1.486 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1cc(Cl)c(N)c(Cl)c1 ZINC000833384102 605584564 /nfs/dbraw/zinc/58/45/64/605584564.db2.gz BTBBVXFOUJGTHR-UHFFFAOYSA-N -1 0 319.148 1.683 20 50 DDGDRM Cc1ccccc1NNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000830587555 605593812 /nfs/dbraw/zinc/59/38/12/605593812.db2.gz ZESYXNQRRLIMFD-LLVKDONJSA-N -1 0 309.391 1.924 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)o1 ZINC000824481781 605674225 /nfs/dbraw/zinc/67/42/25/605674225.db2.gz CODKQUOXXOOIJG-SECBINFHSA-N -1 0 323.353 1.795 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834048919 605714866 /nfs/dbraw/zinc/71/48/66/605714866.db2.gz VOGAYSFQLBIMQH-SECBINFHSA-N -1 0 312.307 1.091 20 50 DDGDRM N#Cc1cccc(NNC(=O)C[C@H]2CSCCN2C(=O)[O-])c1 ZINC000833977119 605715326 /nfs/dbraw/zinc/71/53/26/605715326.db2.gz VKZQXGWGBLILHQ-LBPRGKRZSA-N -1 0 320.374 1.487 20 50 DDGDRM N#Cc1cccc(NNC(=O)c2csc(CNC(=O)[O-])n2)c1 ZINC000833976245 605716764 /nfs/dbraw/zinc/71/67/64/605716764.db2.gz KQJZRJZWIAXQLY-UHFFFAOYSA-N -1 0 317.330 1.539 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NNC(=O)NCC1CC1 ZINC000834027804 605742876 /nfs/dbraw/zinc/74/28/76/605742876.db2.gz WLSMZPSRNTZUMF-DGCLKSJQSA-N -1 0 324.381 1.231 20 50 DDGDRM N#Cc1ccc(NNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])cc1 ZINC000833974477 605763255 /nfs/dbraw/zinc/76/32/55/605763255.db2.gz IOEZFSFIRKNNHV-OAHLLOKOSA-N -1 0 324.340 1.880 20 50 DDGDRM CC(C)c1nn(C)cc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833512078 605774162 /nfs/dbraw/zinc/77/41/62/605774162.db2.gz NYXBBPCNNDBOFK-UHFFFAOYSA-N -1 0 302.334 1.999 20 50 DDGDRM CC[C@H]1CCC[C@@H](NC(=O)NNC(=O)CCCNC(=O)[O-])C1 ZINC000833846414 605820886 /nfs/dbraw/zinc/82/08/86/605820886.db2.gz RUALMMXKKBMGMK-WDEREUQCSA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])N[C@H](CNC(=O)NNc1ccc(Cl)nc1)C1CC1 ZINC000834141439 605945026 /nfs/dbraw/zinc/94/50/26/605945026.db2.gz AERRQGCHXKSVQE-SECBINFHSA-N -1 0 313.745 1.407 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccc(OC(F)F)cc1)C1CC1 ZINC000834001178 605987207 /nfs/dbraw/zinc/98/72/07/605987207.db2.gz FMQNPUBGYYPHQO-UHFFFAOYSA-N -1 0 315.276 1.874 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC1=NNC(=O)Cc1ccncc1 ZINC000834180162 606080376 /nfs/dbraw/zinc/08/03/76/606080376.db2.gz ARJQJUATFWCBLO-GFCCVEGCSA-N -1 0 304.350 1.697 20 50 DDGDRM Cc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000832948384 600815047 /nfs/dbraw/zinc/81/50/47/600815047.db2.gz JZWGCOAASYQIMY-HTQZYQBOSA-N -1 0 311.725 1.522 20 50 DDGDRM COc1ccc([C@@H](CC(=O)[O-])NC=C(C#N)C#N)cc1OC ZINC000832241390 601353525 /nfs/dbraw/zinc/35/35/25/601353525.db2.gz QLOTYCPWOLNSQJ-GFCCVEGCSA-N -1 0 301.302 1.740 20 50 DDGDRM C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cnn(C)c1 ZINC000826071553 601447705 /nfs/dbraw/zinc/44/77/05/601447705.db2.gz MPTNWCZQAZEULL-MRVPVSSYSA-N -1 0 319.273 1.736 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 ZINC000827303547 602151988 /nfs/dbraw/zinc/15/19/88/602151988.db2.gz GTSZYJNYXLRDAL-SSDOTTSWSA-N -1 0 318.251 1.577 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNC(=O)CCc1ccccc1 ZINC000831437377 602791716 /nfs/dbraw/zinc/79/17/16/602791716.db2.gz SHVSJESPBWYPDS-ZDUSSCGKSA-N -1 0 319.361 1.299 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1CC(=O)NNC(=O)Cc1ccc(F)cc1 ZINC000831557367 603232188 /nfs/dbraw/zinc/23/21/88/603232188.db2.gz FZZFZEMQGSHPHJ-GFCCVEGCSA-N -1 0 323.324 1.048 20 50 DDGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNC(C)=O ZINC000829188680 603431566 /nfs/dbraw/zinc/43/15/66/603431566.db2.gz YXCCGLAIRNJXIG-UHFFFAOYSA-N -1 0 301.686 1.219 20 50 DDGDRM O=C([O-])Nc1ccc(C=NNC(=O)Cc2ccsc2)cn1 ZINC000832841028 603488702 /nfs/dbraw/zinc/48/87/02/603488702.db2.gz PPDXDPGSOFJCJM-UHFFFAOYSA-N -1 0 304.331 1.926 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000831730409 603857999 /nfs/dbraw/zinc/85/79/99/603857999.db2.gz GNKRGFSXMJIIFW-CQSZACIVSA-N -1 0 317.345 1.482 20 50 DDGDRM Cc1ccc(NNC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])nn1 ZINC000830396088 603870870 /nfs/dbraw/zinc/87/08/70/603870870.db2.gz TYOMTLVEQQNPHO-QWRGUYRKSA-N -1 0 322.369 1.238 20 50 DDGDRM O=C([O-])N1CCC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831742458 604007799 /nfs/dbraw/zinc/00/77/99/604007799.db2.gz GPASFOHBAGPJAY-ZETCQYMHSA-N -1 0 317.267 1.937 20 50 DDGDRM CCCNC(=O)NNC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826926419 604320643 /nfs/dbraw/zinc/32/06/43/604320643.db2.gz ZDLYKSAHBZBMLN-GHMZBOCLSA-N -1 0 314.386 1.143 20 50 DDGDRM CC(=O)Nc1cncc(C(=O)NN=Cc2ccc(C(=O)[O-])o2)c1 ZINC000825922681 604787918 /nfs/dbraw/zinc/78/79/18/604787918.db2.gz ITFAHSMBJNJWBB-UHFFFAOYSA-N -1 0 316.273 1.095 20 50 DDGDRM Cc1ccc(F)c(OCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1 ZINC000833749630 604807674 /nfs/dbraw/zinc/80/76/74/604807674.db2.gz QGTKMIFRRXZRHY-UHFFFAOYSA-N -1 0 319.292 1.749 20 50 DDGDRM CN(C(=O)[O-])c1ccc(NC(=O)NNC(=O)C2CCC2)cc1 ZINC000833685397 605227177 /nfs/dbraw/zinc/22/71/77/605227177.db2.gz MENGRJOIOMDNFK-UHFFFAOYSA-N -1 0 306.322 1.754 20 50 DDGDRM O=C([O-])N1CCO[C@@H](C(=O)NN=c2ccc3ccccc3[nH]2)C1 ZINC000834047073 605323892 /nfs/dbraw/zinc/32/38/92/605323892.db2.gz FYUKIZGZGLGIFF-GFCCVEGCSA-N -1 0 316.317 1.057 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)Nc1ccccc1C(F)(F)F ZINC000834205308 605407076 /nfs/dbraw/zinc/40/70/76/605407076.db2.gz XDJJMGWICHZEGJ-UHFFFAOYSA-N -1 0 320.227 1.126 20 50 DDGDRM O=C(C[C@H]1CCCN1C(=O)[O-])NNc1ccc([N+](=O)[O-])cc1 ZINC000831339527 605408493 /nfs/dbraw/zinc/40/84/93/605408493.db2.gz HTOPLEUBUPDQPY-LLVKDONJSA-N -1 0 308.294 1.570 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)C1(c2ccccc2F)CCCC1 ZINC000834201625 605448218 /nfs/dbraw/zinc/44/82/18/605448218.db2.gz MTNRGYOAVSNZMU-UHFFFAOYSA-N -1 0 323.324 1.053 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)c1nnc(-c2ccccc2)o1 ZINC000832605087 605464595 /nfs/dbraw/zinc/46/45/95/605464595.db2.gz IMNAGGTUDFDKBJ-UHFFFAOYSA-N -1 0 303.278 1.110 20 50 DDGDRM CN1c2ccccc2C(C)(C)/C1=C\C=NNC(=O)NCC(=O)[O-] ZINC000833698327 605589121 /nfs/dbraw/zinc/58/91/21/605589121.db2.gz SKKNNWWWROHYKS-VVMABDMOSA-N -1 0 316.361 1.668 20 50 DDGDRM N#Cc1ccc(NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC000833976543 605719019 /nfs/dbraw/zinc/71/90/19/605719019.db2.gz WEVRREONTGSERM-ZDUSSCGKSA-N -1 0 318.333 1.160 20 50 DDGDRM COc1ccc(O)c(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833733128 605734167 /nfs/dbraw/zinc/73/41/67/605734167.db2.gz HRJFMGYAGVSGPY-UHFFFAOYSA-N -1 0 302.286 1.856 20 50 DDGDRM O=C([O-])N1CC[C@H](C(=O)NNc2cccc3cnccc32)C1 ZINC000834049592 605739515 /nfs/dbraw/zinc/73/95/15/605739515.db2.gz TVWPMRRBRONBSM-NSHDSACASA-N -1 0 300.318 1.678 20 50 DDGDRM CC1(C)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000833555069 605743668 /nfs/dbraw/zinc/74/36/68/605743668.db2.gz FJQDVTVCOWTVLB-YNEHKIRRSA-N -1 0 319.361 1.824 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)c1csc2ccccc12 ZINC000834228649 605843162 /nfs/dbraw/zinc/84/31/62/605843162.db2.gz MNOGCRSYNQNQNO-UHFFFAOYSA-N -1 0 307.331 1.320 20 50 DDGDRM O=C([O-])N[C@H](C(=O)NNc1ccnc(F)c1)c1ccccc1 ZINC000834256736 605875856 /nfs/dbraw/zinc/87/58/56/605875856.db2.gz VQSDASHJJNCXEV-LBPRGKRZSA-N -1 0 304.281 1.673 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cc2occc2s1 ZINC000834229732 605974827 /nfs/dbraw/zinc/97/48/27/605974827.db2.gz HWSXGZGUJSPOQK-UHFFFAOYSA-N -1 0 311.319 1.303 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1cc(F)c(F)cc1F)C1CC1 ZINC000834001501 605987390 /nfs/dbraw/zinc/98/73/90/605987390.db2.gz LLXWCLMDBVAKEG-UHFFFAOYSA-N -1 0 303.240 1.689 20 50 DDGDRM O=C([O-])NNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000833281419 601138422 /nfs/dbraw/zinc/13/84/22/601138422.db2.gz ZPNCTNVZGVHFGQ-FQEVSTJZSA-N -1 0 311.241 1.618 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000833118529 601455424 /nfs/dbraw/zinc/45/54/24/601455424.db2.gz OXJHSZZICJZFPF-OAHLLOKOSA-N -1 0 302.305 1.815 20 50 DDGDRM O=C([O-])COc1cccc(C(=O)NNc2cccnc2Cl)c1 ZINC000833259861 601590093 /nfs/dbraw/zinc/59/00/93/601590093.db2.gz PYXPSHMTFHNYPW-UHFFFAOYSA-N -1 0 321.720 1.955 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)NC(=O)[O-] ZINC000824671010 602894866 /nfs/dbraw/zinc/89/48/66/602894866.db2.gz DEISDFYGJMQCJX-SNVBAGLBSA-N -1 0 307.350 1.158 20 50 DDGDRM O=C([O-])NNC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000832744793 603217521 /nfs/dbraw/zinc/21/75/21/603217521.db2.gz OFYYIODCSPQZMH-MRVPVSSYSA-N -1 0 321.362 1.207 20 50 DDGDRM CNC(=O)NNC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000828552227 603400234 /nfs/dbraw/zinc/40/02/34/603400234.db2.gz NWCDXIBTAIHTOB-UHFFFAOYSA-N -1 0 316.701 1.012 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNc1cccnn1)Cc1ccccc1 ZINC000832105548 603637123 /nfs/dbraw/zinc/63/71/23/603637123.db2.gz ONWUDDKSOBIYCA-LBPRGKRZSA-N -1 0 315.333 1.189 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNC(=O)C(C)(C)c1ccccc1 ZINC000823960580 603665543 /nfs/dbraw/zinc/66/55/43/603665543.db2.gz MYVWWEPXMIADOL-UHFFFAOYSA-N -1 0 321.377 1.405 20 50 DDGDRM COCCOC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2 ZINC000828996675 603809584 /nfs/dbraw/zinc/80/95/84/603809584.db2.gz UXCFSVKRALAIBM-UKTHLTGXSA-N -1 0 316.313 1.824 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])[nH]c1 ZINC000830396348 603849215 /nfs/dbraw/zinc/84/92/15/603849215.db2.gz YYNGCZOOSIBGFW-WDEREUQCSA-N -1 0 307.354 1.452 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000830552869 603865211 /nfs/dbraw/zinc/86/52/11/603865211.db2.gz CJIBTRCETIWTEC-HNNXBMFYSA-N -1 0 305.334 1.146 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NNC(=O)C1CCC1 ZINC000832350926 603985827 /nfs/dbraw/zinc/98/58/27/603985827.db2.gz YNSQEBBJSLWSSJ-VXGBXAGGSA-N -1 0 311.382 1.541 20 50 DDGDRM CC(C)N(CCC(=O)NNc1ccc(Cl)nc1)C(=O)[O-] ZINC000824341633 604030554 /nfs/dbraw/zinc/03/05/54/604030554.db2.gz QZPGLOBXQMIKAM-UHFFFAOYSA-N -1 0 300.746 1.957 20 50 DDGDRM CC(=NNC(=O)Cc1cccnc1)[C@H]1CCCCN1C(=O)[O-] ZINC000823528916 604087305 /nfs/dbraw/zinc/08/73/05/604087305.db2.gz YUFAAGLJLNGPCR-CYBMUJFWSA-N -1 0 304.350 1.649 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNC(=O)Cc2ccccc2F)CCC1 ZINC000832206125 604163011 /nfs/dbraw/zinc/16/30/11/604163011.db2.gz CMBUONLVEJIORK-UHFFFAOYSA-N -1 0 323.324 1.096 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823822674 604186486 /nfs/dbraw/zinc/18/64/86/604186486.db2.gz SGVPBKIOUUFWMJ-BDAKNGLRSA-N -1 0 316.358 1.162 20 50 DDGDRM O=C([O-])NNC(=O)c1ccc(F)c(I)c1 ZINC000832748088 604283685 /nfs/dbraw/zinc/28/36/85/604283685.db2.gz FAXJGMPKHZETLA-UHFFFAOYSA-N -1 0 324.049 1.343 20 50 DDGDRM C[C@H](CC(=O)NN=c1nccc[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824679628 604689125 /nfs/dbraw/zinc/68/91/25/604689125.db2.gz MAWBBEWXXDMZJH-SNVBAGLBSA-N -1 0 307.354 1.336 20 50 DDGDRM CC(=NNC(=O)CCC1CCCCC1)c1cn(CC(=O)[O-])nn1 ZINC000825798231 604784206 /nfs/dbraw/zinc/78/42/06/604784206.db2.gz DHYDXAOPKNXKRC-UHFFFAOYSA-N -1 0 321.381 1.563 20 50 DDGDRM CC(C)Oc1cccnc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833508065 604803164 /nfs/dbraw/zinc/80/31/64/604803164.db2.gz STJUODUOKKPNTH-UHFFFAOYSA-N -1 0 316.317 1.719 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)Cc2ccsc2)cc1F ZINC000833120094 604824594 /nfs/dbraw/zinc/82/45/94/604824594.db2.gz PLDBFZBYUKUJDI-UHFFFAOYSA-N -1 0 322.317 1.589 20 50 DDGDRM CCC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)[O-] ZINC000833649256 605012038 /nfs/dbraw/zinc/01/20/38/605012038.db2.gz IYHBDBXUOSMHER-GFCCVEGCSA-N -1 0 319.810 2.000 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000834047550 605323985 /nfs/dbraw/zinc/32/39/85/605323985.db2.gz JNKAKFGPGDUDOH-LBPRGKRZSA-N -1 0 300.318 1.820 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNc1ccccn1)c1ccccc1 ZINC000834126206 605325041 /nfs/dbraw/zinc/32/50/41/605325041.db2.gz IVBMEGMSSLVECY-GFCCVEGCSA-N -1 0 300.318 1.924 20 50 DDGDRM O=C([O-])NC[C@@H](C(=O)NNc1ccccn1)c1ccccc1 ZINC000834209667 605325987 /nfs/dbraw/zinc/32/59/87/605325987.db2.gz IGKPSBXWJVSIOH-GFCCVEGCSA-N -1 0 300.318 1.576 20 50 DDGDRM N#CCCCOc1cccc(C=NNC(=O)CNC(=O)[O-])c1 ZINC000833965319 605382531 /nfs/dbraw/zinc/38/25/31/605382531.db2.gz IXDGXANXAHBLNT-UHFFFAOYSA-N -1 0 304.306 1.087 20 50 DDGDRM O=C(CCc1ccco1)NNC(=O)CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833999825 605445052 /nfs/dbraw/zinc/44/50/52/605445052.db2.gz QKRRQXSWXSEUFU-LLVKDONJSA-N -1 0 323.349 1.140 20 50 DDGDRM N#Cc1cccc(NNC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000833976555 605533044 /nfs/dbraw/zinc/53/30/44/605533044.db2.gz OICFPZMWHKDJBV-LLVKDONJSA-N -1 0 302.334 1.781 20 50 DDGDRM O=C([O-])NNC(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000834250167 605677315 /nfs/dbraw/zinc/67/73/15/605677315.db2.gz CYXAYWXQZHFBCK-SNVBAGLBSA-N -1 0 309.322 1.939 20 50 DDGDRM CC(C)(C)S(=O)(=O)CC(=O)NNc1ccccc1C(=O)[O-] ZINC000833447628 605721146 /nfs/dbraw/zinc/72/11/46/605721146.db2.gz YRMBKZLCGSAEBV-UHFFFAOYSA-N -1 0 314.363 1.041 20 50 DDGDRM CC(C)NC(=O)CCCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833502727 605736705 /nfs/dbraw/zinc/73/67/05/605736705.db2.gz USCGCHHEYPOMSI-UHFFFAOYSA-N -1 0 307.350 1.523 20 50 DDGDRM CC(C)N1CC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1=O ZINC000833500737 605742920 /nfs/dbraw/zinc/74/29/20/605742920.db2.gz SQXCFNTYBYRHQL-LBPRGKRZSA-N -1 0 320.349 1.020 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1c[nH]c(-c2ccccc2)n1 ZINC000834227954 605747690 /nfs/dbraw/zinc/74/76/90/605747690.db2.gz UWANDLBSQIOWIV-UHFFFAOYSA-N -1 0 301.306 1.185 20 50 DDGDRM C[C@@H]1C[C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833594943 605748931 /nfs/dbraw/zinc/74/89/31/605748931.db2.gz GWTCLOBLEVXNOV-GHMZBOCLSA-N -1 0 307.350 1.826 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)c2ccoc2)c1 ZINC000834266821 605804354 /nfs/dbraw/zinc/80/43/54/605804354.db2.gz JPDZCMXCHQWEQQ-UHFFFAOYSA-N -1 0 303.274 1.373 20 50 DDGDRM Cc1cc(C(=O)NNC(=S)NC(C)(C)C)ccc1NC(=O)[O-] ZINC000829961842 605804598 /nfs/dbraw/zinc/80/45/98/605804598.db2.gz NVVKAODBRBXUSE-UHFFFAOYSA-N -1 0 324.406 1.992 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](C)CNC(=O)[O-] ZINC000833920612 605829363 /nfs/dbraw/zinc/82/93/63/605829363.db2.gz AUYJHAHBLNKSFN-MRVPVSSYSA-N -1 0 316.789 1.372 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNc1cccc(C(F)(F)F)n1 ZINC000834233727 605938207 /nfs/dbraw/zinc/93/82/07/605938207.db2.gz DBTBGNOQXHILEI-UHFFFAOYSA-N -1 0 320.271 1.981 20 50 DDGDRM CCCN(CCNC(=O)NNC(=O)c1ccccc1C)C(=O)[O-] ZINC000833854887 605995610 /nfs/dbraw/zinc/99/56/10/605995610.db2.gz DQSHIDVLYJTMQD-UHFFFAOYSA-N -1 0 322.365 1.329 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2ccccc2Cl)cn1 ZINC000834277095 606060967 /nfs/dbraw/zinc/06/09/67/606060967.db2.gz FUMCMWVOJSQFKV-UHFFFAOYSA-N -1 0 307.697 1.977 20 50 DDGDRM CSC=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826226752 608625371 /nfs/dbraw/zinc/62/53/71/608625371.db2.gz FUHKYGUDRQLBCG-IHWYPQMZSA-N -1 0 311.758 1.235 20 50 DDGDRM Cc1ccnc(Oc2ccc(NC(=O)NNC(=O)[O-])cc2)n1 ZINC000832983678 601554033 /nfs/dbraw/zinc/55/40/33/601554033.db2.gz DMXLGUJFRYJCMS-UHFFFAOYSA-N -1 0 303.278 1.881 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)Cc1ccc2ccccc2c1 ZINC000827304341 602265942 /nfs/dbraw/zinc/26/59/42/602265942.db2.gz RYEKEFRCDYUNDR-LLVKDONJSA-N -1 0 314.341 1.641 20 50 DDGDRM COc1cccc(-c2noc([C@@H](C)NC(=O)NNC(=O)[O-])n2)c1 ZINC000829532151 603439116 /nfs/dbraw/zinc/43/91/16/603439116.db2.gz WLQJFAXUJDUXPM-SSDOTTSWSA-N -1 0 321.293 1.288 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000823759475 603565757 /nfs/dbraw/zinc/56/57/57/603565757.db2.gz ILLLQXUPOINEBE-GFCCVEGCSA-N -1 0 321.377 1.621 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)C2CCN(C(=O)[O-])CC2)n1 ZINC000830763555 603735191 /nfs/dbraw/zinc/73/51/91/603735191.db2.gz ASFNPXWWNWYUJM-UHFFFAOYSA-N -1 0 313.745 1.272 20 50 DDGDRM CCOC(=O)NNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000827327563 603936657 /nfs/dbraw/zinc/93/66/57/603936657.db2.gz KXLUPQLYHMSBIN-NXEZZACHSA-N -1 0 301.343 1.370 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)CC2CCN(C(=O)[O-])CC2)n1 ZINC000829101883 603967007 /nfs/dbraw/zinc/96/70/07/603967007.db2.gz NJOHQAABQSKYNG-UHFFFAOYSA-N -1 0 323.353 1.017 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@@H](CNC(=O)[O-])CC(C)C)[nH]c1 ZINC000830395972 603999432 /nfs/dbraw/zinc/99/94/32/603999432.db2.gz QDBILLBYVQVJLW-LLVKDONJSA-N -1 0 309.370 1.698 20 50 DDGDRM CN(CCNC(=O)NNc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000828324007 604034640 /nfs/dbraw/zinc/03/46/40/604034640.db2.gz HQAGDCFPGSVLST-UHFFFAOYSA-N -1 0 304.709 1.715 20 50 DDGDRM C[C@@]1(C(=O)NNc2ccc(F)c(F)c2F)CCN(C(=O)[O-])C1 ZINC000825672220 604062950 /nfs/dbraw/zinc/06/29/50/604062950.db2.gz AFOGKPIWUPCUEE-CYBMUJFWSA-N -1 0 317.267 1.937 20 50 DDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1cccnc1Cl ZINC000824211990 604102015 /nfs/dbraw/zinc/10/20/15/604102015.db2.gz WPMNRHPZLOZEOR-SECBINFHSA-N -1 0 300.746 1.860 20 50 DDGDRM COc1ccc(NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC000829482998 604222383 /nfs/dbraw/zinc/22/23/83/604222383.db2.gz CFKCUVYBPKVUED-ZDUSSCGKSA-N -1 0 323.349 1.297 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n1 ZINC000831973054 604330267 /nfs/dbraw/zinc/33/02/67/604330267.db2.gz YRTHVXMLTSEXNW-UHFFFAOYSA-N -1 0 319.321 1.194 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000833384453 605153674 /nfs/dbraw/zinc/15/36/74/605153674.db2.gz JJJOJCIHLUAOFL-UHFFFAOYSA-N -1 0 314.685 1.356 20 50 DDGDRM CC(=O)NC(C)(C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833395992 605246561 /nfs/dbraw/zinc/24/65/61/605246561.db2.gz WDOFLGMTAYSXLN-UHFFFAOYSA-N -1 0 313.741 1.396 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)[C@H]1CCCC[C@]1(C)NC(=O)[O-] ZINC000833789888 605312900 /nfs/dbraw/zinc/31/29/00/605312900.db2.gz OJEWHHCGBAZJRA-BMIGLBTASA-N -1 0 313.398 1.787 20 50 DDGDRM O=C([O-])NCC(=O)NN=C(CC1CCCCC1)c1ncccn1 ZINC000834199893 605383762 /nfs/dbraw/zinc/38/37/62/605383762.db2.gz SAHILLVLCCTJJS-UHFFFAOYSA-N -1 0 319.365 1.535 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cccc(Br)c1 ZINC000834201175 605384084 /nfs/dbraw/zinc/38/40/84/605384084.db2.gz GLTJXYPVTWILLX-UHFFFAOYSA-N -1 0 300.112 1.167 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cc2ccccc2nc1Cl ZINC000834202570 605388229 /nfs/dbraw/zinc/38/82/29/605388229.db2.gz YEVQTSCRASTKKK-UHFFFAOYSA-N -1 0 306.709 1.606 20 50 DDGDRM O=C(NNC(=O)[C@@H]1CCCN(C(=O)[O-])C1)NC1CCCCC1 ZINC000831735848 605448203 /nfs/dbraw/zinc/44/82/03/605448203.db2.gz CJHCXNJIPZEWMC-SNVBAGLBSA-N -1 0 312.370 1.040 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000833970303 605517284 /nfs/dbraw/zinc/51/72/84/605517284.db2.gz LROURDPWGNNYJR-UHFFFAOYSA-N -1 0 323.740 1.440 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000833384466 605589879 /nfs/dbraw/zinc/58/98/79/605589879.db2.gz JOUKRRXHRBSDSR-SECBINFHSA-N -1 0 322.321 1.533 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)NC1CCCCC1)C1CC1 ZINC000834127191 605600680 /nfs/dbraw/zinc/60/06/80/605600680.db2.gz ONLRUTZKXXSILQ-LLVKDONJSA-N -1 0 312.370 1.086 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNc1ncc(F)cn1)c1ccccc1 ZINC000834128068 605610943 /nfs/dbraw/zinc/61/09/43/605610943.db2.gz SOUYMXVCCODZTN-NSHDSACASA-N -1 0 319.296 1.458 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000834048330 605716240 /nfs/dbraw/zinc/71/62/40/605716240.db2.gz KMMWKVJLSZBILU-SECBINFHSA-N -1 0 312.307 1.091 20 50 DDGDRM CC1(C)OCC(C)(C(=O)NNc2ccccc2C(=O)[O-])CO1 ZINC000833562879 605724182 /nfs/dbraw/zinc/72/41/82/605724182.db2.gz ZQKDNWMJQAUVEP-UHFFFAOYSA-N -1 0 308.334 1.617 20 50 DDGDRM O=C([O-])N1CCO[C@@H](C(=O)NNc2cccc3cnccc32)C1 ZINC000834046654 605739407 /nfs/dbraw/zinc/73/94/07/605739407.db2.gz APOFQKLMBXLZGE-CYBMUJFWSA-N -1 0 316.317 1.057 20 50 DDGDRM N#Cc1ccc2c(c1)CCCC2=NNC(=O)CCCNC(=O)[O-] ZINC000833976436 605794485 /nfs/dbraw/zinc/79/44/85/605794485.db2.gz GGADDCDAKPBMMW-UHFFFAOYSA-N -1 0 314.345 1.763 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000824210779 605798431 /nfs/dbraw/zinc/79/84/31/605798431.db2.gz JCBYUQTZKWCVRA-VIFPVBQESA-N -1 0 323.378 1.817 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cnn(-c2ccccc2)c1 ZINC000834228194 605799722 /nfs/dbraw/zinc/79/97/22/605799722.db2.gz ABRHAQQRXGAFLU-UHFFFAOYSA-N -1 0 315.333 1.370 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC1=NNC(=O)Cc1cccnc1 ZINC000834185906 606080457 /nfs/dbraw/zinc/08/04/57/606080457.db2.gz RJQJGKWWHNKGOW-GFCCVEGCSA-N -1 0 304.350 1.697 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNc1ccc(Cl)nn1 ZINC000834274874 606098050 /nfs/dbraw/zinc/09/80/50/606098050.db2.gz SHQRZCVZSWFENY-UHFFFAOYSA-N -1 0 321.724 1.906 20 50 DDGDRM COc1ccccc1C(=O)NN[C@H](C(=O)[O-])c1ccccc1F ZINC000832589848 600748962 /nfs/dbraw/zinc/74/89/62/600748962.db2.gz VCAZGWQPHHONLJ-AWEZNQCLSA-N -1 0 318.304 1.895 20 50 DDGDRM O=C([O-])c1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)ccn1 ZINC000833149078 601248026 /nfs/dbraw/zinc/24/80/26/601248026.db2.gz DEEGZUKFKOYOBK-UHFFFAOYSA-N -1 0 324.296 1.336 20 50 DDGDRM O=C([O-])c1occc1C=NNC(=O)Cc1cn2ccccc2n1 ZINC000833119647 601338376 /nfs/dbraw/zinc/33/83/76/601338376.db2.gz AZCIWFSMCOZHQC-UHFFFAOYSA-N -1 0 312.285 1.318 20 50 DDGDRM Cc1cccc(OCC(=O)NN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000832972325 601452089 /nfs/dbraw/zinc/45/20/89/601452089.db2.gz XVGOWFSMRSMQCL-MRXNPFEDSA-N -1 0 314.341 1.821 20 50 DDGDRM O=C([O-])COc1ccc(C(=O)NNc2ccncc2Cl)cc1 ZINC000833253549 601818385 /nfs/dbraw/zinc/81/83/85/601818385.db2.gz JRQQGEPGEKQGIF-UHFFFAOYSA-N -1 0 321.720 1.377 20 50 DDGDRM Cc1ccc(NC(=S)NNC(=O)[C@H](C)CC(=O)[O-])c(C)c1 ZINC000832949095 602266429 /nfs/dbraw/zinc/26/64/29/602266429.db2.gz OIZJTKBXCNPCKJ-SNVBAGLBSA-N -1 0 309.391 1.732 20 50 DDGDRM Cc1cccc(NC(=S)NNC(=O)[C@H](C)CC(=O)[O-])c1C ZINC000832971249 602266463 /nfs/dbraw/zinc/26/64/63/602266463.db2.gz SMYTXBDFLBZEEH-SECBINFHSA-N -1 0 309.391 1.732 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@H](C)CC(=O)[O-])c2ccccc2n1 ZINC000832864580 602266639 /nfs/dbraw/zinc/26/66/39/602266639.db2.gz NZNBUQKRXBQGCO-VIFPVBQESA-N -1 0 315.329 1.415 20 50 DDGDRM C[C@@H](C(=O)NNC(=O)C1CCC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823706187 602910819 /nfs/dbraw/zinc/91/08/19/602910819.db2.gz ZXQKBQUYEPEMIX-ZWNOBZJWSA-N -1 0 319.361 1.579 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1NC(=O)[O-] ZINC000830225545 603427317 /nfs/dbraw/zinc/42/73/17/603427317.db2.gz QPRMGLQOSYFNDR-UHFFFAOYSA-N -1 0 320.349 1.972 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000830587232 603539677 /nfs/dbraw/zinc/53/96/77/603539677.db2.gz VAAZOYJVUPJPOB-SNVBAGLBSA-N -1 0 308.338 1.394 20 50 DDGDRM COc1ccc(NNC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000829482882 604222433 /nfs/dbraw/zinc/22/24/33/604222433.db2.gz AEJNRGUPUGAXGG-UHFFFAOYSA-N -1 0 307.350 1.965 20 50 DDGDRM CCC[C@@](C)(NC(=O)[O-])C(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000826720071 604312497 /nfs/dbraw/zinc/31/24/97/604312497.db2.gz DSIVJUAFWZONMQ-GFCCVEGCSA-N -1 0 311.298 1.259 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000833183887 604708838 /nfs/dbraw/zinc/70/88/38/604708838.db2.gz LOISFDUZIYTKHC-VHSXEESVSA-N -1 0 307.306 1.929 20 50 DDGDRM O=C([O-])c1cncc(C(=O)NNC(=O)CCc2ccccc2)c1 ZINC000833763747 605030832 /nfs/dbraw/zinc/03/08/32/605030832.db2.gz DOYZSVXSAXZZJJ-UHFFFAOYSA-N -1 0 313.313 1.174 20 50 DDGDRM O=C([O-])NNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000832748729 605205375 /nfs/dbraw/zinc/20/53/75/605205375.db2.gz RVJCCNKKNIKHKZ-UHFFFAOYSA-N -1 0 304.056 1.270 20 50 DDGDRM Cc1cccc(NNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830521413 605255058 /nfs/dbraw/zinc/25/50/58/605255058.db2.gz HCTGSEWEJPVFPL-CYBMUJFWSA-N -1 0 307.350 1.597 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)CC1CCCC1)c1ccccc1 ZINC000831313564 605287401 /nfs/dbraw/zinc/28/74/01/605287401.db2.gz JYNHZXUQGBFGOL-UHFFFAOYSA-N -1 0 319.361 1.899 20 50 DDGDRM O=C([O-])N1CCO[C@@H](CC(=O)NNc2ccc(F)cc2F)C1 ZINC000831388583 605298274 /nfs/dbraw/zinc/29/82/74/605298274.db2.gz WOSNVDLWFUBZNS-VIFPVBQESA-N -1 0 315.276 1.177 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CCOc2c(F)ccc(F)c21 ZINC000834227582 605307949 /nfs/dbraw/zinc/30/79/49/605307949.db2.gz ITMDLJICTJSYGT-UHFFFAOYSA-N -1 0 313.260 1.225 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1nccnc1Cl)c1ccccc1 ZINC000831451505 605335764 /nfs/dbraw/zinc/33/57/64/605335764.db2.gz YFWOANSRALIIDH-UHFFFAOYSA-N -1 0 321.724 1.758 20 50 DDGDRM CC(C)CCn1cc(C(=O)NNc2cccc(C(=O)[O-])c2)nn1 ZINC000833483588 605732576 /nfs/dbraw/zinc/73/25/76/605732576.db2.gz DABRVEYTBMYSIE-UHFFFAOYSA-N -1 0 317.349 1.779 20 50 DDGDRM O=C([O-])N[C@H]1CC(=NNC(=O)c2ccccn2)c2ccccc21 ZINC000834157711 605739892 /nfs/dbraw/zinc/73/98/92/605739892.db2.gz LXPHHSCQTFQLFM-ZDUSSCGKSA-N -1 0 310.313 1.928 20 50 DDGDRM CC(C)(CO)CCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833461511 605743153 /nfs/dbraw/zinc/74/31/53/605743153.db2.gz BHXALQBKSXJSER-UHFFFAOYSA-N -1 0 309.366 1.810 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(OC(F)(F)F)cc1 ZINC000834227119 605752316 /nfs/dbraw/zinc/75/23/16/605752316.db2.gz JZDQHEMARMBZHG-UHFFFAOYSA-N -1 0 319.239 1.693 20 50 DDGDRM CCn1c(=O)c2ccccc2nc1NNC(=O)CCCC(=O)[O-] ZINC000833684231 605777031 /nfs/dbraw/zinc/77/70/31/605777031.db2.gz UBSNTJAEMVGZQG-UHFFFAOYSA-N -1 0 318.333 1.114 20 50 DDGDRM O=C([O-])NNC(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000834251574 605826355 /nfs/dbraw/zinc/82/63/55/605826355.db2.gz XWVBXRHPNWFMIU-UHFFFAOYSA-N -1 0 321.255 1.747 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)CC/C=C/c1ccccc1 ZINC000834227200 605845067 /nfs/dbraw/zinc/84/50/67/605845067.db2.gz ODUHADJYVIZVHA-XBXARRHUSA-N -1 0 305.334 1.285 20 50 DDGDRM N#Cc1cccc(NNC(=O)NC[C@H](NC(=O)[O-])C2CC2)c1 ZINC000833976125 605945331 /nfs/dbraw/zinc/94/53/31/605945331.db2.gz IQLHJWNACLMCPT-LBPRGKRZSA-N -1 0 303.322 1.231 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)C1CCCC1 ZINC000833831306 606011403 /nfs/dbraw/zinc/01/14/03/606011403.db2.gz QLZSQCSIGZMREU-IAQYHMDHSA-N -1 0 311.382 1.541 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1cccnc1 ZINC000834271925 606040363 /nfs/dbraw/zinc/04/03/63/606040363.db2.gz FMRUTYNSCKLLCH-UHFFFAOYSA-N -1 0 314.301 1.175 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)COc2ccc(F)cc2)C1 ZINC000834012154 606047840 /nfs/dbraw/zinc/04/78/40/606047840.db2.gz UHOZLIOVPIXSDD-LLVKDONJSA-N -1 0 323.324 1.697 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)CCOc2ccccc2)C1 ZINC000833995047 606051586 /nfs/dbraw/zinc/05/15/86/606051586.db2.gz MUXAERBFSQPOOY-CYBMUJFWSA-N -1 0 319.361 1.948 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NN=c2[nH]c3ccccc3[nH]2)cn1 ZINC000834277014 606070007 /nfs/dbraw/zinc/07/00/07/606070007.db2.gz FEQXYRQMGLNXOS-UHFFFAOYSA-N -1 0 313.277 1.200 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNc1ncc(F)cn1 ZINC000833826465 606081477 /nfs/dbraw/zinc/08/14/77/606081477.db2.gz HAYXKTCHACNHKO-NOZJJQNGSA-N -1 0 311.317 1.275 20 50 DDGDRM O=C(Cc1ccsc1)NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833119973 600955322 /nfs/dbraw/zinc/95/53/22/600955322.db2.gz KNPGLFVXGFNUCQ-MNOVXSKESA-N -1 0 310.375 1.329 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(O)c1 ZINC000832912123 601209805 /nfs/dbraw/zinc/20/98/05/601209805.db2.gz VEKQEDRPFVMQHN-GHMZBOCLSA-N -1 0 320.345 1.353 20 50 DDGDRM CNC(=O)NNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000831000556 601989736 /nfs/dbraw/zinc/98/97/36/601989736.db2.gz HJFJMMAXKDNTAK-UHFFFAOYSA-N -1 0 320.227 1.369 20 50 DDGDRM O=C([O-])[C@H]1C[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000833179625 602272493 /nfs/dbraw/zinc/27/24/93/602272493.db2.gz UAUNRKAUZXDERV-BDAKNGLRSA-N -1 0 304.224 1.749 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNC(=O)Cc1ccccc1F ZINC000831562875 602895707 /nfs/dbraw/zinc/89/57/07/602895707.db2.gz VYDZVHWXAURGNV-NSHDSACASA-N -1 0 323.324 1.048 20 50 DDGDRM O=C([O-])NNC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000832744794 603217294 /nfs/dbraw/zinc/21/72/94/603217294.db2.gz OFYYIODCSPQZMH-QMMMGPOBSA-N -1 0 321.362 1.207 20 50 DDGDRM C[C@@H](C(=O)NNC(=O)C1CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823701118 603221331 /nfs/dbraw/zinc/22/13/31/603221331.db2.gz ACAJNJCFSWCETO-BXKDBHETSA-N -1 0 305.334 1.189 20 50 DDGDRM CN(NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])c1ccccc1 ZINC000828434406 603435720 /nfs/dbraw/zinc/43/57/20/603435720.db2.gz AVLWMICMERACJT-CYBMUJFWSA-N -1 0 307.350 1.313 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000823754283 603780049 /nfs/dbraw/zinc/78/00/49/603780049.db2.gz GJYOGNQTLGOOBP-NSHDSACASA-N -1 0 322.365 1.372 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)c2ccc(Cl)nc2)CC1 ZINC000831731076 603858779 /nfs/dbraw/zinc/85/87/79/603858779.db2.gz PXTCCUBFITVEQT-UHFFFAOYSA-N -1 0 310.741 1.841 20 50 DDGDRM C[C@]1(C(=O)NNC(=O)NC2CCCCC2)CCN(C(=O)[O-])C1 ZINC000825672267 603861863 /nfs/dbraw/zinc/86/18/63/603861863.db2.gz BIDPQSJSZRJDGC-AWEZNQCLSA-N -1 0 312.370 1.040 20 50 DDGDRM O=C([O-])NCCCNC(=O)NNc1cc(F)c(F)c(F)c1 ZINC000832616757 604035513 /nfs/dbraw/zinc/03/55/13/604035513.db2.gz KPDZRHPEMZNPOE-UHFFFAOYSA-N -1 0 306.244 1.388 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000829141373 604315239 /nfs/dbraw/zinc/31/52/39/604315239.db2.gz CVOQMPFIPDWTRS-WPRPVWTQSA-N -1 0 311.313 1.714 20 50 DDGDRM CCc1ccc(C=NNC(=O)NC2CCN(C(=O)[O-])CC2)o1 ZINC000827583042 604419723 /nfs/dbraw/zinc/41/97/23/604419723.db2.gz FRSYOTYZPQJQFS-UHFFFAOYSA-N -1 0 308.338 1.618 20 50 DDGDRM O=C([O-])N1CC(NC(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000831742892 604608142 /nfs/dbraw/zinc/60/81/42/604608142.db2.gz VAJRPJKJQBZVJD-UHFFFAOYSA-N -1 0 302.693 1.467 20 50 DDGDRM CCc1nnsc1C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC000833679322 604648664 /nfs/dbraw/zinc/64/86/64/604648664.db2.gz PRPVLJAAVIQYGM-UHFFFAOYSA-N -1 0 322.346 1.564 20 50 DDGDRM C[C@@H](CC(=O)NN=c1nccc[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824679627 604689188 /nfs/dbraw/zinc/68/91/88/604689188.db2.gz MAWBBEWXXDMZJH-JTQLQIEISA-N -1 0 307.354 1.336 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)Cc1ccc(Cl)cc1)c1cccnc1 ZINC000833116789 604987896 /nfs/dbraw/zinc/98/78/96/604987896.db2.gz GYSMEBFKIVGDCG-CQSZACIVSA-N -1 0 319.748 1.724 20 50 DDGDRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NNc1ccccn1 ZINC000834048906 605324563 /nfs/dbraw/zinc/32/45/63/605324563.db2.gz OUBRFSOUBUODSE-CYBMUJFWSA-N -1 0 312.329 1.630 20 50 DDGDRM O=C([O-])NNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000834250634 605388311 /nfs/dbraw/zinc/38/83/11/605388311.db2.gz LOQMEJSXBOBXCC-SSDOTTSWSA-N -1 0 301.096 1.224 20 50 DDGDRM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NNC(=O)[O-] ZINC000833920742 605425727 /nfs/dbraw/zinc/42/57/27/605425727.db2.gz BTUMTMCGNJDUGZ-YFKPBYRVSA-N -1 0 308.260 1.465 20 50 DDGDRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NNC(=O)NCc1ccco1 ZINC000833998312 605431131 /nfs/dbraw/zinc/43/11/31/605431131.db2.gz OXFILLUEQKQLGT-JTQLQIEISA-N -1 0 324.337 1.033 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824170866 605576173 /nfs/dbraw/zinc/57/61/73/605576173.db2.gz TYMOIUWYACHICI-GFCCVEGCSA-N -1 0 307.350 1.579 20 50 DDGDRM C=C(C)COc1cc(C=NNC(=O)NCC(=O)[O-])ccc1OC ZINC000833369443 605586423 /nfs/dbraw/zinc/58/64/23/605586423.db2.gz YOONGAYIDUTEIH-UHFFFAOYSA-N -1 0 321.333 1.368 20 50 DDGDRM CC(=O)N1CC[C@@](C)(C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833393578 605737013 /nfs/dbraw/zinc/73/70/13/605737013.db2.gz RGRSWDKRNRDTRC-OAHLLOKOSA-N -1 0 305.334 1.086 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C(C[C@H]1CCOC1)c1ccccc1 ZINC000834227540 605747669 /nfs/dbraw/zinc/74/76/69/605747669.db2.gz HDFZVRPIWXATMU-GFCCVEGCSA-N -1 0 319.361 1.591 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1CCc2c1c(F)ccc2F ZINC000834243002 605787670 /nfs/dbraw/zinc/78/76/70/605787670.db2.gz DOCLWTWOCWQEIO-UHFFFAOYSA-N -1 0 312.276 1.182 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)CNc1ccccc1F ZINC000834170118 605857053 /nfs/dbraw/zinc/85/70/53/605857053.db2.gz RUFWTWYQVKSLLT-LLVKDONJSA-N -1 0 308.313 1.530 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(SC(F)F)cc1 ZINC000834200971 605888824 /nfs/dbraw/zinc/88/88/24/605888824.db2.gz DVSKPDXHFBGFPS-UHFFFAOYSA-N -1 0 303.290 1.719 20 50 DDGDRM O=C([O-])N1CCC(NC(=O)NN=Cc2ccc(O)c(F)c2)CC1 ZINC000834045162 606054090 /nfs/dbraw/zinc/05/40/90/606054090.db2.gz MGULSHFWLCGPHF-UHFFFAOYSA-N -1 0 324.312 1.307 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)COc1ccc(F)cc1)c1ccccc1 ZINC000833115610 601453775 /nfs/dbraw/zinc/45/37/75/601453775.db2.gz WFHPGELFJIWRLJ-HNNXBMFYSA-N -1 0 318.304 1.651 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1cccc2ncccc21)NC(=O)[O-] ZINC000824671227 602873308 /nfs/dbraw/zinc/87/33/08/602873308.db2.gz DXHMDQWMSDPVNE-SECBINFHSA-N -1 0 316.317 1.042 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000832276512 603449333 /nfs/dbraw/zinc/44/93/33/603449333.db2.gz BLLHWDOGIFLVLG-RKDXNWHRSA-N -1 0 308.294 1.474 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000824231520 603746757 /nfs/dbraw/zinc/74/67/57/603746757.db2.gz JQELAQLTDACZTO-GHMZBOCLSA-N -1 0 314.386 1.189 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823754282 603780222 /nfs/dbraw/zinc/78/02/22/603780222.db2.gz GJYOGNQTLGOOBP-LLVKDONJSA-N -1 0 322.365 1.372 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000826925478 603965069 /nfs/dbraw/zinc/96/50/69/603965069.db2.gz GLZQCJQVCASKGW-QWRGUYRKSA-N -1 0 314.386 1.333 20 50 DDGDRM C[C@]1(C(=O)NNc2cnnc3ccccc32)CCN(C(=O)[O-])C1 ZINC000825677626 604062908 /nfs/dbraw/zinc/06/29/08/604062908.db2.gz IFTHDVFCLPXDCS-HNNXBMFYSA-N -1 0 315.333 1.463 20 50 DDGDRM CC(=NNC(=O)Cc1ccccn1)[C@@H]1CCCCN1C(=O)[O-] ZINC000823527691 604087231 /nfs/dbraw/zinc/08/72/31/604087231.db2.gz MLGHHGPVOSBPOK-ZDUSSCGKSA-N -1 0 304.350 1.649 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)CN(C)C(=O)[O-])o1 ZINC000824867904 604129269 /nfs/dbraw/zinc/12/92/69/604129269.db2.gz GSTDOVCGASXQLF-QMMMGPOBSA-N -1 0 309.326 1.359 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)C(C)(C)c1ccccc1 ZINC000824868257 604161874 /nfs/dbraw/zinc/16/18/74/604161874.db2.gz LCCCREFWWQIUEI-LLVKDONJSA-N -1 0 321.377 1.358 20 50 DDGDRM O=C([O-])NNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000832748927 604283591 /nfs/dbraw/zinc/28/35/91/604283591.db2.gz WTQGWJXXPRXZEI-NSHDSACASA-N -1 0 307.306 1.086 20 50 DDGDRM CCCNC(=O)NNC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000826926420 604320688 /nfs/dbraw/zinc/32/06/88/604320688.db2.gz ZDLYKSAHBZBMLN-MNOVXSKESA-N -1 0 314.386 1.143 20 50 DDGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000824135383 604411986 /nfs/dbraw/zinc/41/19/86/604411986.db2.gz FHJTUDUBYJJZJE-JTQLQIEISA-N -1 0 319.321 1.071 20 50 DDGDRM Cc1cc(NNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)ncn1 ZINC000830122419 604581236 /nfs/dbraw/zinc/58/12/36/604581236.db2.gz MCFUDFYXIWDNAZ-ZYHUDNBSSA-N -1 0 321.381 1.644 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccsc1 ZINC000833407096 605040111 /nfs/dbraw/zinc/04/01/11/605040111.db2.gz QQWNDHSCFODLON-SNVBAGLBSA-N -1 0 305.359 1.888 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000834202898 605451410 /nfs/dbraw/zinc/45/14/10/605451410.db2.gz ATXOUTYLXGFQIZ-UHFFFAOYSA-N -1 0 306.105 1.022 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)CC2CN(C(=O)[O-])C2)c1 ZINC000833970986 605516411 /nfs/dbraw/zinc/51/64/11/605516411.db2.gz ZWPVMVLEQJHKKX-UHFFFAOYSA-N -1 0 309.713 1.050 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)C[C@H]2CCCN2C(=O)[O-])c1 ZINC000833970057 605517106 /nfs/dbraw/zinc/51/71/06/605517106.db2.gz IAURSZPCGWUBPK-SECBINFHSA-N -1 0 323.740 1.582 20 50 DDGDRM CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(C(=O)[O-])[nH]1 ZINC000833442876 605584335 /nfs/dbraw/zinc/58/43/35/605584335.db2.gz RCBSRSISXBRGMN-UHFFFAOYSA-N -1 0 324.337 1.078 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1C[C@@H]2CCCc3cccc1c32 ZINC000834227356 605749551 /nfs/dbraw/zinc/74/95/51/605749551.db2.gz CWRDYGOIZDYHKE-NSHDSACASA-N -1 0 301.346 1.988 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccccc1OCC1CC1 ZINC000834226988 605752680 /nfs/dbraw/zinc/75/26/80/605752680.db2.gz GXFJPWDPBMLNDS-UHFFFAOYSA-N -1 0 305.334 1.583 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cnc(C2CCC2)s1 ZINC000834229070 605797890 /nfs/dbraw/zinc/79/78/90/605797890.db2.gz ZMDVWSQIAVKOPS-UHFFFAOYSA-N -1 0 310.379 1.909 20 50 DDGDRM N#Cc1cccc(C(=O)NN=Cc2cccnc2NC(=O)[O-])c1 ZINC000833977620 605955524 /nfs/dbraw/zinc/95/55/24/605955524.db2.gz VGYOSHYPCBNCLU-UHFFFAOYSA-N -1 0 309.285 1.807 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)NCCc2cccs2)C1 ZINC000834044015 606051714 /nfs/dbraw/zinc/05/17/14/606051714.db2.gz CIXCSZFMVIXCTN-LLVKDONJSA-N -1 0 324.406 1.966 20 50 DDGDRM CCC1(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CC1 ZINC000825164743 608575436 /nfs/dbraw/zinc/57/54/36/608575436.db2.gz IBRNUAZRPBCOCR-UHFFFAOYSA-N -1 0 307.745 1.548 20 50 DDGDRM CCC=C(C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825219887 608624327 /nfs/dbraw/zinc/62/43/27/608624327.db2.gz NLVLCMOQHGEJGJ-QPJJXVBHSA-N -1 0 307.745 1.715 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccccc2F)C1 ZINC000833118627 600943313 /nfs/dbraw/zinc/94/33/13/600943313.db2.gz LYNWZIKOTZXUHU-VXGBXAGGSA-N -1 0 322.336 1.407 20 50 DDGDRM O=C([O-])c1cc(C(=O)NNC(=O)c2cccc(Cl)c2)ccn1 ZINC000833148861 601270325 /nfs/dbraw/zinc/27/03/25/601270325.db2.gz AATUJIQLTGGLEB-UHFFFAOYSA-N -1 0 319.704 1.508 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cn(C)c2ccccc12 ZINC000827303447 602077529 /nfs/dbraw/zinc/07/75/29/602077529.db2.gz FLHOBTURJQWISI-SECBINFHSA-N -1 0 303.318 1.050 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)Cc1cccc2ccccc21 ZINC000827304212 602081816 /nfs/dbraw/zinc/08/18/16/602081816.db2.gz RDZGOWIQCFIQIJ-LLVKDONJSA-N -1 0 314.341 1.641 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 ZINC000827303548 602152238 /nfs/dbraw/zinc/15/22/38/602152238.db2.gz GTSZYJNYXLRDAL-ZETCQYMHSA-N -1 0 318.251 1.577 20 50 DDGDRM COc1cc(OC)cc([C@@H](NNC(=O)c2ccc[nH]2)C(=O)[O-])c1 ZINC000832066017 602166159 /nfs/dbraw/zinc/16/61/59/602166159.db2.gz JYBJDQOOAUZHQQ-CYBMUJFWSA-N -1 0 319.317 1.092 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNC(=O)c2ccc(Cl)cc2)C1 ZINC000831366725 603555038 /nfs/dbraw/zinc/55/50/38/603555038.db2.gz WKXKTXKVVPOAIY-UHFFFAOYSA-N -1 0 311.725 1.101 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000830554716 603616315 /nfs/dbraw/zinc/61/63/15/603616315.db2.gz OWCUCSJHUZJBNX-UHFFFAOYSA-N -1 0 319.361 1.584 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNc1cnccn1)Cc1ccccc1 ZINC000832105534 603622035 /nfs/dbraw/zinc/62/20/35/603622035.db2.gz OICLRTZTODTYMG-GFCCVEGCSA-N -1 0 315.333 1.189 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000831907932 603828573 /nfs/dbraw/zinc/82/85/73/603828573.db2.gz LNPPMPYHTWIMQJ-GFCCVEGCSA-N -1 0 312.257 1.130 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2ccc(F)c(F)c2F)C1 ZINC000831907219 603876883 /nfs/dbraw/zinc/87/68/83/603876883.db2.gz AJPQWDOVWQTGPP-LBPRGKRZSA-N -1 0 321.230 1.639 20 50 DDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NNc1ccccc1)C2 ZINC000831742413 604211578 /nfs/dbraw/zinc/21/15/78/604211578.db2.gz FHTLFUVGCUPURN-YHWZYXNKSA-N -1 0 304.350 1.986 20 50 DDGDRM COc1ccc(NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000829483617 604222414 /nfs/dbraw/zinc/22/24/14/604222414.db2.gz KAUISLDWFNRAOD-UHFFFAOYSA-N -1 0 305.290 1.813 20 50 DDGDRM C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000825185271 604225822 /nfs/dbraw/zinc/22/58/22/604225822.db2.gz BPKKGEMBILHZGY-ZCFIWIBFSA-N -1 0 316.239 1.676 20 50 DDGDRM CN(CCCNC(=O)NN=c1nc[nH]c2ccsc21)C(=O)[O-] ZINC000828292518 604272803 /nfs/dbraw/zinc/27/28/03/604272803.db2.gz CBGFURXCVHAKIT-UHFFFAOYSA-N -1 0 324.366 1.317 20 50 DDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NN=c1[nH]c2ccccc2[nH]1 ZINC000833479351 604546711 /nfs/dbraw/zinc/54/67/11/604546711.db2.gz LNPXGLDTLPDNTD-LLVKDONJSA-N -1 0 305.338 1.688 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)COc1ccc(F)cc1)c1cccnc1 ZINC000833115307 604987940 /nfs/dbraw/zinc/98/79/40/604987940.db2.gz KPQMERTZHUEMOT-CQSZACIVSA-N -1 0 319.292 1.046 20 50 DDGDRM O=C(NNC(=O)[C@H]1CCCN(C(=O)[O-])C1)NC1CCCCC1 ZINC000831735847 605448384 /nfs/dbraw/zinc/44/83/84/605448384.db2.gz CJHCXNJIPZEWMC-JTQLQIEISA-N -1 0 312.370 1.040 20 50 DDGDRM O=C([O-])N1CCC(C(=O)NN=c2[nH]c3ccccc3[nH]2)CC1 ZINC000834050080 605508481 /nfs/dbraw/zinc/50/84/81/605508481.db2.gz VHOKJJGCDPRUMN-UHFFFAOYSA-N -1 0 303.322 1.396 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1cccc(Br)c1 ZINC000833384235 605589306 /nfs/dbraw/zinc/58/93/06/605589306.db2.gz FSPMQGIDGVZVRE-UHFFFAOYSA-N -1 0 314.139 1.557 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)COc1ccccc1F ZINC000833800604 605621501 /nfs/dbraw/zinc/62/15/01/605621501.db2.gz DPNWRTNFLXOSHL-VIFPVBQESA-N -1 0 311.313 1.743 20 50 DDGDRM N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000833960393 605650931 /nfs/dbraw/zinc/65/09/31/605650931.db2.gz JTOYEIJXQXTANG-JLHYYAGUSA-N -1 0 317.320 1.945 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1c[nH]nc1-c1ccccc1 ZINC000834228520 605797055 /nfs/dbraw/zinc/79/70/55/605797055.db2.gz KEBNETKIMGRZMQ-UHFFFAOYSA-N -1 0 315.333 1.575 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccnc(F)c2)cc1 ZINC000834248625 605874452 /nfs/dbraw/zinc/87/44/52/605874452.db2.gz GUIDNUDARRQPKO-UHFFFAOYSA-N -1 0 304.281 1.745 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2cccnc2Cl)cn1 ZINC000834277914 606069612 /nfs/dbraw/zinc/06/96/12/606069612.db2.gz SUJOHOHEUHVSCX-UHFFFAOYSA-N -1 0 308.685 1.372 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNc1ncc(F)cn1 ZINC000833826467 606081361 /nfs/dbraw/zinc/08/13/61/606081361.db2.gz HAYXKTCHACNHKO-TVQRCGJNSA-N -1 0 311.317 1.275 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832977575 600834647 /nfs/dbraw/zinc/83/46/47/600834647.db2.gz UUFWIWQDWVXGPE-NEPJUHHUSA-N -1 0 304.346 1.647 20 50 DDGDRM Cc1cccc(C(=O)NNC(=O)CSC[C@@H](C)C(=O)[O-])c1 ZINC000832962882 600840366 /nfs/dbraw/zinc/84/03/66/600840366.db2.gz DFJHCDDTLCCYHD-SNVBAGLBSA-N -1 0 310.375 1.210 20 50 DDGDRM Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000832928524 601065966 /nfs/dbraw/zinc/06/59/66/601065966.db2.gz TYRLJPCASUDSPQ-NUBYWOLOSA-N -1 0 316.313 1.035 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000828309313 602071962 /nfs/dbraw/zinc/07/19/62/602071962.db2.gz BMADZTWIVAEWQN-BDAKNGLRSA-N -1 0 324.402 1.745 20 50 DDGDRM Cc1ccc(NC(=S)NNC(=O)[C@@H](C)CC(=O)[O-])cc1C ZINC000832949055 602266587 /nfs/dbraw/zinc/26/65/87/602266587.db2.gz NDYDTEOGNNMLLH-JTQLQIEISA-N -1 0 309.391 1.732 20 50 DDGDRM CC(C)(NC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000824025428 603513213 /nfs/dbraw/zinc/51/32/13/603513213.db2.gz QKSJEMKZMTUUMP-UHFFFAOYSA-N -1 0 317.704 1.286 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1 ZINC000832277957 603544502 /nfs/dbraw/zinc/54/45/02/603544502.db2.gz LLJDWKUEIBHFTO-OLZOCXBDSA-N -1 0 319.361 1.203 20 50 DDGDRM C[C@@H](NC(=S)NNC(=O)CCC(C)(C)NC(=O)[O-])C1CC1 ZINC000825465585 603611621 /nfs/dbraw/zinc/61/16/21/603611621.db2.gz MLLVNIDCGXOCNG-MRVPVSSYSA-N -1 0 316.427 1.107 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1 ZINC000832277200 603624779 /nfs/dbraw/zinc/62/47/79/603624779.db2.gz HARVLQNRULPPCF-RQJHMYQMSA-N -1 0 317.267 1.983 20 50 DDGDRM Cc1ccc(CNC(=O)NNC(=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000830317083 603878452 /nfs/dbraw/zinc/87/84/52/603878452.db2.gz LPOCUUWTLBPQJC-GFCCVEGCSA-N -1 0 323.349 1.535 20 50 DDGDRM Cc1cc(NNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])ncn1 ZINC000830123570 603896755 /nfs/dbraw/zinc/89/67/55/603896755.db2.gz WLJZGCWJDWSTEW-YOGCLGLASA-N -1 0 319.365 1.539 20 50 DDGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829226260 603965768 /nfs/dbraw/zinc/96/57/68/603965768.db2.gz XGRDJBIHJCVJJS-DTWKUNHWSA-N -1 0 324.289 1.945 20 50 DDGDRM CCCNC(=O)NNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826925091 603987390 /nfs/dbraw/zinc/98/73/90/603987390.db2.gz BHTAWGANDXWDOF-FGWVZKOKSA-N -1 0 312.370 1.038 20 50 DDGDRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NNC(=O)NCC1CC1 ZINC000831308217 603988263 /nfs/dbraw/zinc/98/82/63/603988263.db2.gz ONKVDWIPLSRYKR-YOGCLGLASA-N -1 0 324.381 1.038 20 50 DDGDRM CC(=NNC(=O)Cn1nc(C)cc1C)[C@H]1CCCCN1C(=O)[O-] ZINC000823528313 604087316 /nfs/dbraw/zinc/08/73/16/604087316.db2.gz ROLGZVHGGXFEKQ-CYBMUJFWSA-N -1 0 321.381 1.525 20 50 DDGDRM CC[C@H](CNC(=O)NNC(=O)[O-])Oc1ccccc1Cl ZINC000826586638 604144048 /nfs/dbraw/zinc/14/40/48/604144048.db2.gz DUUBVHXAFYZIOG-MRVPVSSYSA-N -1 0 301.730 1.979 20 50 DDGDRM Cc1cc(NNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)ncn1 ZINC000830122413 604581302 /nfs/dbraw/zinc/58/13/02/604581302.db2.gz MCFUDFYXIWDNAZ-CMPLNLGQSA-N -1 0 321.381 1.644 20 50 DDGDRM O=C([O-])NCCC(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000832599158 604771728 /nfs/dbraw/zinc/77/17/28/604771728.db2.gz DICBETWGMSEIBR-UHFFFAOYSA-N -1 0 307.228 1.686 20 50 DDGDRM CC(C)CCn1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)nn1 ZINC000833484915 604800255 /nfs/dbraw/zinc/80/02/55/604800255.db2.gz ZWKXTGOIUZWLFJ-UHFFFAOYSA-N -1 0 318.337 1.174 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1F ZINC000833149463 604804840 /nfs/dbraw/zinc/80/48/40/604804840.db2.gz QWTWYNJTJVKQAC-UHFFFAOYSA-N -1 0 320.251 1.738 20 50 DDGDRM COC(=O)C(C)(C)[C@@H](NC(=O)NNC(=O)[O-])c1ccccc1 ZINC000828593873 605184514 /nfs/dbraw/zinc/18/45/14/605184514.db2.gz LRBKDSSQGZKUEK-JTQLQIEISA-N -1 0 309.322 1.409 20 50 DDGDRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC=C(C#N)CC1 ZINC000833702688 605220432 /nfs/dbraw/zinc/22/04/32/605220432.db2.gz XRYPOQOJPVWDBP-CQSZACIVSA-N -1 0 300.314 1.755 20 50 DDGDRM Cc1ccccc1NNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830585844 605252005 /nfs/dbraw/zinc/25/20/05/605252005.db2.gz FUSABNVKWFEBMQ-GFCCVEGCSA-N -1 0 307.350 1.597 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000834047584 605321871 /nfs/dbraw/zinc/32/18/71/605321871.db2.gz LHNZZQQODXAWJV-NSHDSACASA-N -1 0 318.358 1.731 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000830553206 605582690 /nfs/dbraw/zinc/58/26/90/605582690.db2.gz GLXCCQQJIOUGFW-LBPRGKRZSA-N -1 0 307.350 1.438 20 50 DDGDRM Cc1ccc(-c2ncc(C=NNC(=O)NCC(=O)[O-])s2)cc1 ZINC000833746560 605592125 /nfs/dbraw/zinc/59/21/25/605592125.db2.gz KJZCDOWLWSMVQT-UHFFFAOYSA-N -1 0 318.358 1.836 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNc1cccnn1 ZINC000832356094 605630060 /nfs/dbraw/zinc/63/00/60/605630060.db2.gz AZALTUXIVLXGLT-WDEREUQCSA-N -1 0 307.354 1.526 20 50 DDGDRM N#Cc1ccc(NNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000833973985 605718989 /nfs/dbraw/zinc/71/89/89/605718989.db2.gz DPZVIBZNDHZCIW-CYBMUJFWSA-N -1 0 318.333 1.160 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(OC(F)F)cc1 ZINC000834228207 605796672 /nfs/dbraw/zinc/79/66/72/605796672.db2.gz APEYSLQSTQLFHB-UHFFFAOYSA-N -1 0 315.276 1.786 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cncc2ccccc21 ZINC000834230156 605973980 /nfs/dbraw/zinc/97/39/80/605973980.db2.gz SVISUNNHVFUQET-UHFFFAOYSA-N -1 0 316.317 1.044 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)/C=C/c1ccccc1F ZINC000834231506 605975583 /nfs/dbraw/zinc/97/55/83/605975583.db2.gz PLGRAHHESAXSLN-BQYQJAHWSA-N -1 0 309.297 1.034 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1 ZINC000833826148 605999024 /nfs/dbraw/zinc/99/90/24/605999024.db2.gz FJMPVMSIVJATKH-WBMJQRKESA-N -1 0 319.361 1.664 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2ccc(F)cc2F)cn1 ZINC000834278063 606060960 /nfs/dbraw/zinc/06/09/60/606060960.db2.gz UQNPKCBILMZIAE-UHFFFAOYSA-N -1 0 309.232 1.602 20 50 DDGDRM O=C(C=C1CCC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826399276 608627891 /nfs/dbraw/zinc/62/78/91/608627891.db2.gz RSRFMPVDNYHWQH-UHFFFAOYSA-N -1 0 305.729 1.469 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(C)o1 ZINC000832864943 600870410 /nfs/dbraw/zinc/87/04/10/600870410.db2.gz XSRJTAYRTGHOEU-GHMZBOCLSA-N -1 0 308.334 1.548 20 50 DDGDRM COc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832588981 600943042 /nfs/dbraw/zinc/94/30/42/600943042.db2.gz JBQLLOJMDOXLBI-WDEREUQCSA-N -1 0 320.345 1.347 20 50 DDGDRM Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000832928527 601065973 /nfs/dbraw/zinc/06/59/73/601065973.db2.gz TYRLJPCASUDSPQ-ZTFCMROMSA-N -1 0 316.313 1.035 20 50 DDGDRM N#Cc1cccc(C(=O)NN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833074077 601304229 /nfs/dbraw/zinc/30/42/29/601304229.db2.gz NVTMKSONKFLRSD-HNNXBMFYSA-N -1 0 320.308 1.490 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)C[C@H]2CCCN2C(=O)[O-])o1 ZINC000824482381 602764401 /nfs/dbraw/zinc/76/44/01/602764401.db2.gz LOEGVRNQDPHEJY-SECBINFHSA-N -1 0 321.337 1.645 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)CCCc1cccs1)NC(=O)[O-] ZINC000824672275 602916625 /nfs/dbraw/zinc/91/66/25/602916625.db2.gz VITFSVKQTXXRBY-VIFPVBQESA-N -1 0 313.379 1.264 20 50 DDGDRM CC(=NNC(=O)NCCNC(=O)[O-])c1ccc2c(c1)COC2 ZINC000823528484 603629184 /nfs/dbraw/zinc/62/91/84/603629184.db2.gz UTBBUJDZVZJJMI-UHFFFAOYSA-N -1 0 306.322 1.008 20 50 DDGDRM CC(C)CC(=O)NNC(=O)N[C@H](CNC(=O)[O-])CC(C)C ZINC000824170116 603665572 /nfs/dbraw/zinc/66/55/72/603665572.db2.gz FOVPARMQVYNTHF-JTQLQIEISA-N -1 0 302.375 1.045 20 50 DDGDRM CCC(CC)(CNC(=O)NNC(=O)[O-])NC(=O)OC(C)(C)C ZINC000826540616 603668388 /nfs/dbraw/zinc/66/83/88/603668388.db2.gz BRIOHFRWKZVQAD-UHFFFAOYSA-N -1 0 318.374 1.552 20 50 DDGDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNc1ccc(C)nn1 ZINC000826796810 603892445 /nfs/dbraw/zinc/89/24/45/603892445.db2.gz XZSZLPSWKFODIV-JTQLQIEISA-N -1 0 310.358 1.238 20 50 DDGDRM O=C([O-])N1CC[C@H](C(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000831743034 604006068 /nfs/dbraw/zinc/00/60/68/604006068.db2.gz ZWSNYDYOBXZFBZ-ZETCQYMHSA-N -1 0 301.705 1.922 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@H](NC(=O)[O-])C(C)C)n1 ZINC000830763657 604413008 /nfs/dbraw/zinc/41/30/08/604413008.db2.gz CCKNLIVNLNSLKG-VIFPVBQESA-N -1 0 301.734 1.174 20 50 DDGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000833468788 604527380 /nfs/dbraw/zinc/52/73/80/604527380.db2.gz RFKCXWFSUOOFBR-MRVPVSSYSA-N -1 0 321.259 1.231 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000832880011 604924535 /nfs/dbraw/zinc/92/45/35/604924535.db2.gz HHKCEYUNLCOTRN-UHFFFAOYSA-N -1 0 304.281 1.688 20 50 DDGDRM CCn1c2ccccc2nc1C(C)=NNC(=O)CNC(=O)[O-] ZINC000833868125 605385243 /nfs/dbraw/zinc/38/52/43/605385243.db2.gz YTENVQWTCRDFCQ-UHFFFAOYSA-N -1 0 303.322 1.164 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccccc1OCC(F)(F)F ZINC000834201334 605387303 /nfs/dbraw/zinc/38/73/03/605387303.db2.gz JJLRPJMFLPHSCX-UHFFFAOYSA-N -1 0 319.239 1.345 20 50 DDGDRM O=C([O-])NNC(=O)c1cc(Br)cc2cccnc21 ZINC000834251056 605387878 /nfs/dbraw/zinc/38/78/78/605387878.db2.gz MDVFKUWAWSPKES-UHFFFAOYSA-N -1 0 310.107 1.910 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000832277479 605409401 /nfs/dbraw/zinc/40/94/01/605409401.db2.gz IIHRNWJKLLGZNB-WPRPVWTQSA-N -1 0 308.294 1.474 20 50 DDGDRM O=C([O-])Nc1ccc(NC(=O)C(=O)NNc2ccccc2)cn1 ZINC000834263003 605583358 /nfs/dbraw/zinc/58/33/58/605583358.db2.gz PNZTUNDQKYMOAP-UHFFFAOYSA-N -1 0 315.289 1.253 20 50 DDGDRM CCOc1ccc(C(C)=NNC(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000833663811 605591687 /nfs/dbraw/zinc/59/16/87/605591687.db2.gz MDCJXGBWUGNFSM-UHFFFAOYSA-N -1 0 324.293 1.101 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)Cn1cnc2ccccc21 ZINC000833801317 605622067 /nfs/dbraw/zinc/62/20/67/605622067.db2.gz IYFMTSLJJCUCPS-SNVBAGLBSA-N -1 0 317.349 1.575 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000833791092 605627739 /nfs/dbraw/zinc/62/77/39/605627739.db2.gz VPCMDZYXLBYWDT-LBPRGKRZSA-N -1 0 321.377 1.969 20 50 DDGDRM CC(C)CCC(=O)NCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833482921 605734517 /nfs/dbraw/zinc/73/45/17/605734517.db2.gz IFLLXLPTWVRVRY-UHFFFAOYSA-N -1 0 307.350 1.380 20 50 DDGDRM CC(C)OC(=O)[C@@H](C)CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833504794 605742874 /nfs/dbraw/zinc/74/28/74/605742874.db2.gz PCUZWEBHVLRBGY-JTQLQIEISA-N -1 0 323.349 1.599 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)CCOc1ccccc1 ZINC000834170038 605859251 /nfs/dbraw/zinc/85/92/51/605859251.db2.gz PRYLSZJEGGZZCG-GFCCVEGCSA-N -1 0 305.334 1.748 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000834230494 605974076 /nfs/dbraw/zinc/97/40/76/605974076.db2.gz FNTAJXPURCVUSX-CHWSQXEVSA-N -1 0 319.361 1.060 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000834232023 605978271 /nfs/dbraw/zinc/97/82/71/605978271.db2.gz VGNRVOMFNOTYLL-VXGBXAGGSA-N -1 0 311.382 1.398 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccsc2)C1 ZINC000833119971 600955379 /nfs/dbraw/zinc/95/53/79/600955379.db2.gz KNPGLFVXGFNUCQ-GHMZBOCLSA-N -1 0 310.375 1.329 20 50 DDGDRM O=C([O-])c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)ccn1 ZINC000833149553 601241903 /nfs/dbraw/zinc/24/19/03/601241903.db2.gz UFQNJXWDMZNRGV-UHFFFAOYSA-N -1 0 319.704 1.508 20 50 DDGDRM C[C@H](C(=O)NNC(=O)C1CCC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823706185 602910833 /nfs/dbraw/zinc/91/08/33/602910833.db2.gz ZXQKBQUYEPEMIX-GXFFZTMASA-N -1 0 319.361 1.579 20 50 DDGDRM CC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000827524721 603513064 /nfs/dbraw/zinc/51/30/64/603513064.db2.gz PBTMVZKZALWMQB-VIFPVBQESA-N -1 0 317.704 1.286 20 50 DDGDRM O=C([O-])N[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1 ZINC000832135765 603895574 /nfs/dbraw/zinc/89/55/74/603895574.db2.gz OKTRSWBSZCHBFK-GFCCVEGCSA-N -1 0 320.349 1.126 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)CCN(C(=O)[O-])C(C)C)n1 ZINC000830764401 603919666 /nfs/dbraw/zinc/91/96/66/603919666.db2.gz KHNYNPYMBGMUJV-UHFFFAOYSA-N -1 0 315.761 1.660 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000829102324 603967954 /nfs/dbraw/zinc/96/79/54/603967954.db2.gz WUNMBKXNZOERLW-VHSXEESVSA-N -1 0 323.353 1.063 20 50 DDGDRM COCCCNC(=O)NN=C(C)[C@@H]1CCCCN1C(=O)[O-] ZINC000828950488 604088462 /nfs/dbraw/zinc/08/84/62/604088462.db2.gz KBKPENQNWSNVBM-NSHDSACASA-N -1 0 300.359 1.231 20 50 DDGDRM N#Cc1ccc(C=NNC(=O)NC2CCN(C(=O)[O-])CC2)s1 ZINC000831122892 604088616 /nfs/dbraw/zinc/08/86/16/604088616.db2.gz VMTNJPBYPQSIQU-UHFFFAOYSA-N -1 0 321.362 1.395 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823822677 604186460 /nfs/dbraw/zinc/18/64/60/604186460.db2.gz SGVPBKIOUUFWMJ-RKDXNWHRSA-N -1 0 316.358 1.162 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNc1cccc(C(F)(F)F)n1 ZINC000824868674 604222819 /nfs/dbraw/zinc/22/28/19/604222819.db2.gz PDBURSNQVOTQIU-SSDOTTSWSA-N -1 0 320.271 1.789 20 50 DDGDRM CCOC(=O)NNC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827329558 604283885 /nfs/dbraw/zinc/28/38/85/604283885.db2.gz XISKKZZSKOOYGS-VHSXEESVSA-N -1 0 301.343 1.180 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824170686 604297544 /nfs/dbraw/zinc/29/75/44/604297544.db2.gz QRDSSSUUJVEJQF-VXGBXAGGSA-N -1 0 313.398 1.596 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NN=c1[nH]c2ccccc2[nH]1 ZINC000833479354 604546780 /nfs/dbraw/zinc/54/67/80/604546780.db2.gz LNPXGLDTLPDNTD-NSHDSACASA-N -1 0 305.338 1.688 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2cccc(C(F)(F)F)c2)CC1 ZINC000832175571 604645430 /nfs/dbraw/zinc/64/54/30/604645430.db2.gz GQUFPWDUBOTDFJ-UHFFFAOYSA-N -1 0 303.240 1.949 20 50 DDGDRM CC(=O)Nc1cncc(C(=O)NN=Cc2ccoc2C(=O)[O-])c1 ZINC000825922402 604787488 /nfs/dbraw/zinc/78/74/88/604787488.db2.gz BCJGKOUJHJGJLO-UHFFFAOYSA-N -1 0 316.273 1.095 20 50 DDGDRM CN(CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC000833691816 604803728 /nfs/dbraw/zinc/80/37/28/604803728.db2.gz IYPATCSRVAINJK-UHFFFAOYSA-N -1 0 300.318 1.359 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NN=c1nc[nH]c2ccsc21 ZINC000831339548 605125463 /nfs/dbraw/zinc/12/54/63/605125463.db2.gz INPNMEQLUFYJFQ-QMMMGPOBSA-N -1 0 321.362 1.667 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000832279361 605126374 /nfs/dbraw/zinc/12/63/74/605126374.db2.gz QKGHSAUFTLJJGT-HTQZYQBOSA-N -1 0 321.362 1.571 20 50 DDGDRM CC(=O)N[C@@H](C(=O)NNc1ccccc1C(=O)[O-])C1CCCC1 ZINC000833394625 605283036 /nfs/dbraw/zinc/28/30/36/605283036.db2.gz CAFRABMPXQBJQK-CQSZACIVSA-N -1 0 319.361 1.523 20 50 DDGDRM CC(=O)N[C@@H](CC(C)C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833397858 605311876 /nfs/dbraw/zinc/31/18/76/605311876.db2.gz NMLOGMSEOPEIIZ-ZDUSSCGKSA-N -1 0 307.350 1.379 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000834134586 605322637 /nfs/dbraw/zinc/32/26/37/605322637.db2.gz JWDGJWDJUFREHC-SNVBAGLBSA-N -1 0 324.287 1.969 20 50 DDGDRM CC(=NNC(=O)CC(F)(F)F)c1ccccc1OCC(=O)[O-] ZINC000833385097 605326116 /nfs/dbraw/zinc/32/61/16/605326116.db2.gz FZKPUFAHVQBJJR-UHFFFAOYSA-N -1 0 318.251 1.943 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cccn1Cc1cccs1 ZINC000834202287 605385507 /nfs/dbraw/zinc/38/55/07/605385507.db2.gz UFOQWWROQDXAMR-UHFFFAOYSA-N -1 0 306.347 1.316 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1csc(-c2ccsc2)n1 ZINC000834202558 605385719 /nfs/dbraw/zinc/38/57/19/605385719.db2.gz XTRHKQQWYTULMM-UHFFFAOYSA-N -1 0 310.360 1.589 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000832326226 605409257 /nfs/dbraw/zinc/40/92/57/605409257.db2.gz PPXRWDSMDHYWLZ-MWLCHTKSSA-N -1 0 322.321 1.864 20 50 DDGDRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NNc1cccc([N+](=O)[O-])c1 ZINC000833997884 605533668 /nfs/dbraw/zinc/53/36/68/605533668.db2.gz JJDUHRBADAAUCM-NSHDSACASA-N -1 0 322.321 1.961 20 50 DDGDRM COc1cc(F)cc(NNC(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000833730037 605570316 /nfs/dbraw/zinc/57/03/16/605570316.db2.gz ZGTRMYJCXVZNTQ-UHFFFAOYSA-N -1 0 306.253 1.079 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)cc1 ZINC000827576435 605579458 /nfs/dbraw/zinc/57/94/58/605579458.db2.gz CYDOWVKVKPKLEC-GFCCVEGCSA-N -1 0 321.377 1.692 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000833801497 605622335 /nfs/dbraw/zinc/62/23/35/605622335.db2.gz KIEDJKBHNFYMIG-RNCFNFMXSA-N -1 0 321.333 1.365 20 50 DDGDRM Cc1nc(C)c(CC(=O)NNc2cccc(C(=O)[O-])c2)c(=O)[nH]1 ZINC000833754851 605736194 /nfs/dbraw/zinc/73/61/94/605736194.db2.gz LVMVIVOFIDXGAX-UHFFFAOYSA-N -1 0 316.317 1.183 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccccc1OC(F)F ZINC000834228472 605797287 /nfs/dbraw/zinc/79/72/87/605797287.db2.gz ICWJWVLIAWTAQS-UHFFFAOYSA-N -1 0 315.276 1.786 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000834170088 605859496 /nfs/dbraw/zinc/85/94/96/605859496.db2.gz QUTZQUBNPVDSHA-GWCFXTLKSA-N -1 0 303.318 1.282 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000830555630 603673782 /nfs/dbraw/zinc/67/37/82/603673782.db2.gz VXWUIGYKKBBXGM-NSHDSACASA-N -1 0 320.349 1.034 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000823754349 603780225 /nfs/dbraw/zinc/78/02/25/603780225.db2.gz INBYJZNVMMJGQG-ZJUUUORDSA-N -1 0 314.386 1.189 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)Cc2ccccc2F)CC1 ZINC000831562634 603860469 /nfs/dbraw/zinc/86/04/69/603860469.db2.gz QFNUIEACOIXGPT-UHFFFAOYSA-N -1 0 307.325 1.860 20 50 DDGDRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NN=c1cccc[nH]1 ZINC000832515663 603862956 /nfs/dbraw/zinc/86/29/56/603862956.db2.gz RJLHRFLKWNUHAS-MNOVXSKESA-N -1 0 307.354 1.534 20 50 DDGDRM CCN(CCCNC(=O)NNc1cccc(F)c1F)C(=O)[O-] ZINC000827124056 604003036 /nfs/dbraw/zinc/00/30/36/604003036.db2.gz MWOIGHKZWSCBPE-UHFFFAOYSA-N -1 0 316.308 1.981 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824170685 604297538 /nfs/dbraw/zinc/29/75/38/604297538.db2.gz QRDSSSUUJVEJQF-RYUDHWBXSA-N -1 0 313.398 1.596 20 50 DDGDRM O=C([O-])NC1(C(=O)NNC(=O)CCCc2cccs2)CC1 ZINC000832175582 604478090 /nfs/dbraw/zinc/47/80/90/604478090.db2.gz HGJXAUACPKRXCD-UHFFFAOYSA-N -1 0 311.363 1.018 20 50 DDGDRM O=C([O-])N1CC(NC(=O)NNc2ccc(OC(F)F)cc2)C1 ZINC000831742597 604612003 /nfs/dbraw/zinc/61/20/03/604612003.db2.gz LGAPFSUHRWYOGU-UHFFFAOYSA-N -1 0 316.264 1.276 20 50 DDGDRM COc1ccc(C=CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833732571 604801652 /nfs/dbraw/zinc/80/16/52/604801652.db2.gz NUKJKXJDSRRZCA-RUDMXATFSA-N -1 0 313.313 1.945 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1F ZINC000833149191 604817882 /nfs/dbraw/zinc/81/78/82/604817882.db2.gz HULHHYCMQAGLFV-UHFFFAOYSA-N -1 0 309.297 1.411 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)CCc1ccccc1 ZINC000833454701 605106046 /nfs/dbraw/zinc/10/60/46/605106046.db2.gz SWJISWRGRABATC-UHFFFAOYSA-N -1 0 306.362 1.658 20 50 DDGDRM O=C([O-])N1CCO[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000831742515 605381079 /nfs/dbraw/zinc/38/10/79/605381079.db2.gz INMBFDHKRGNLQG-SNVBAGLBSA-N -1 0 317.704 1.301 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000834201691 605384886 /nfs/dbraw/zinc/38/48/86/605384886.db2.gz NBLOIZYMZFHIGV-UHFFFAOYSA-N -1 0 305.265 1.803 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1cccc(OC2CCCC2)c1 ZINC000834203432 605449297 /nfs/dbraw/zinc/44/92/97/605449297.db2.gz UERSCIMLCQKSPN-UHFFFAOYSA-N -1 0 321.333 1.037 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834171729 605508462 /nfs/dbraw/zinc/50/84/62/605508462.db2.gz WGCLEVIYEAZLIW-BDAKNGLRSA-N -1 0 303.322 1.442 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000824233502 605521862 /nfs/dbraw/zinc/52/18/62/605521862.db2.gz ZFKWPCCDNGVSMG-GHMZBOCLSA-N -1 0 314.386 1.284 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])c1 ZINC000833970982 605545126 /nfs/dbraw/zinc/54/51/26/605545126.db2.gz ZWASRTSKJHYYRF-BDAKNGLRSA-N -1 0 323.740 1.486 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1sc(C(C)(C)C)nc1C ZINC000833384650 605587146 /nfs/dbraw/zinc/58/71/46/605587146.db2.gz LDNWWDBERUEDQM-UHFFFAOYSA-N -1 0 312.395 1.857 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccccc1OC(F)F ZINC000833384718 605587231 /nfs/dbraw/zinc/58/72/31/605587231.db2.gz MDIVSFAYQAGRGS-UHFFFAOYSA-N -1 0 301.249 1.396 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000827578402 605628259 /nfs/dbraw/zinc/62/82/59/605628259.db2.gz ZWXHPLGGFIABBV-CYBMUJFWSA-N -1 0 319.361 1.400 20 50 DDGDRM O=C([O-])NNC(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000833280516 605676584 /nfs/dbraw/zinc/67/65/84/605676584.db2.gz KUSRVQPDDADKDK-UHFFFAOYSA-N -1 0 302.290 1.201 20 50 DDGDRM N#Cc1ccc(NNC(=O)C2(CNC(=O)[O-])CCCC2)cc1 ZINC000833976372 605719037 /nfs/dbraw/zinc/71/90/37/605719037.db2.gz UDAGXSWPLSGWHO-UHFFFAOYSA-N -1 0 302.334 1.829 20 50 DDGDRM CCCNC(=O)NN=C1CCC[C@H]1[C@@H]1COCCN1C(=O)[O-] ZINC000833855634 605742304 /nfs/dbraw/zinc/74/23/04/605742304.db2.gz JWNXMARVZGWBMX-PWSUYJOCSA-N -1 0 312.370 1.231 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1c[nH]c2ccc(F)cc12 ZINC000834228196 605796156 /nfs/dbraw/zinc/79/61/56/605796156.db2.gz ABXPUFHBHFWLFX-UHFFFAOYSA-N -1 0 306.297 1.805 20 50 DDGDRM COc1cc[nH]c(=NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000829651063 605879081 /nfs/dbraw/zinc/87/90/81/605879081.db2.gz WPJSHPYHEOSILF-UHFFFAOYSA-N -1 0 317.305 1.640 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cccc2cnccc21 ZINC000834229758 605977392 /nfs/dbraw/zinc/97/73/92/605977392.db2.gz IFMFVCPGKMKYRA-UHFFFAOYSA-N -1 0 316.317 1.044 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1CSc2ccccc21 ZINC000834230613 605979765 /nfs/dbraw/zinc/97/97/65/605979765.db2.gz GXINSSZDROZOFE-SNVBAGLBSA-N -1 0 323.374 1.071 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000834045666 606052025 /nfs/dbraw/zinc/05/20/25/606052025.db2.gz RYIMUJOKARNCHC-RISCZKNCSA-N -1 0 317.345 1.482 20 50 DDGDRM CCC(CC)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825097739 608575479 /nfs/dbraw/zinc/57/54/79/608575479.db2.gz YOHRJZRPOWEKBY-UHFFFAOYSA-N -1 0 309.761 1.794 20 50 DDGDRM O=C(C=CC1CC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826399679 608628084 /nfs/dbraw/zinc/62/80/84/608628084.db2.gz CFOOEGOWVAUOHN-ARJAWSKDSA-N -1 0 305.729 1.324 20 50 DDGDRM CC(C)(CNC(=O)NNC(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000826584687 601685116 /nfs/dbraw/zinc/68/51/16/601685116.db2.gz FTSDRMASQKDACI-UHFFFAOYSA-N -1 0 313.741 1.395 20 50 DDGDRM Cc1ccc(SCC(=O)NNC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000832958310 602072443 /nfs/dbraw/zinc/07/24/43/602072443.db2.gz ZFIAKKDCNUQRRK-JTQLQIEISA-N -1 0 310.375 1.345 20 50 DDGDRM C[C@H](NC(=O)NNC(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000825172651 603440236 /nfs/dbraw/zinc/44/02/36/603440236.db2.gz WNRJNKKILQVFBW-LURJTMIESA-N -1 0 309.257 1.419 20 50 DDGDRM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NNC(=O)[O-] ZINC000826124170 603630314 /nfs/dbraw/zinc/63/03/14/603630314.db2.gz APACRJKNPYARQK-YUMQZZPRSA-N -1 0 317.342 1.046 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000830764902 603919670 /nfs/dbraw/zinc/91/96/70/603919670.db2.gz OEYZZRRKCZSRDX-YUMQZZPRSA-N -1 0 313.745 1.318 20 50 DDGDRM C[C@@H](C=NNC(=O)NCCNC(=O)[O-])CCc1ccccc1 ZINC000824544451 604202880 /nfs/dbraw/zinc/20/28/80/604202880.db2.gz QAPKYCFWHVKAJK-GFCCVEGCSA-N -1 0 306.366 1.808 20 50 DDGDRM CC(C)(C)OC(=O)c1ccc(CNC(=O)NNC(=O)[O-])cc1 ZINC000823827753 604233029 /nfs/dbraw/zinc/23/30/29/604233029.db2.gz IDDRUNQIFLJLEA-UHFFFAOYSA-N -1 0 309.322 1.624 20 50 DDGDRM C[C@@H](CC(=O)NNc1cnccn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679114 604580450 /nfs/dbraw/zinc/58/04/50/604580450.db2.gz IHTFHAZEFGYAEX-QWRGUYRKSA-N -1 0 307.354 1.336 20 50 DDGDRM COCc1cccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1 ZINC000833726058 604801674 /nfs/dbraw/zinc/80/16/74/604801674.db2.gz PNPNVWWWZPSTII-UHFFFAOYSA-N -1 0 301.302 1.683 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000823965425 605124369 /nfs/dbraw/zinc/12/43/69/605124369.db2.gz ZFJAPIZKKGBFES-UHFFFAOYSA-N -1 0 309.351 1.428 20 50 DDGDRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC=C(C#N)CC1 ZINC000833702687 605220288 /nfs/dbraw/zinc/22/02/88/605220288.db2.gz XRYPOQOJPVWDBP-AWEZNQCLSA-N -1 0 300.314 1.755 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccccc1N1CCCCC1 ZINC000834201694 605387233 /nfs/dbraw/zinc/38/72/33/605387233.db2.gz NBVLKBQOGJVATC-UHFFFAOYSA-N -1 0 304.350 1.395 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)CCc1ccccc1O ZINC000833801461 605625127 /nfs/dbraw/zinc/62/51/27/605625127.db2.gz JTGJTGYJUCAFHH-SNVBAGLBSA-N -1 0 307.350 1.863 20 50 DDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)CCc1ccco1 ZINC000823847958 605677915 /nfs/dbraw/zinc/67/79/15/605677915.db2.gz XRJYGTLJCUMUKA-LLVKDONJSA-N -1 0 311.338 1.042 20 50 DDGDRM CC(=O)N1CCC[C@@H](C(=O)NNc2ccccc2C(=O)[O-])C1 ZINC000833393754 605723191 /nfs/dbraw/zinc/72/31/91/605723191.db2.gz LXOPYQRHPGRJJY-LLVKDONJSA-N -1 0 305.334 1.086 20 50 DDGDRM Cn1cc(C(=O)NN=C2CCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000833943042 605724899 /nfs/dbraw/zinc/72/48/99/605724899.db2.gz FOUJJLAHFPUFHT-YPMHNXCESA-N -1 0 319.365 1.448 20 50 DDGDRM C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000833894626 605736925 /nfs/dbraw/zinc/73/69/25/605736925.db2.gz CSNWJKCQWSKNAC-SSDOTTSWSA-N -1 0 321.255 1.727 20 50 DDGDRM O=C([O-])N[C@H]1CC(=NNC(=O)c2cnccn2)c2ccccc21 ZINC000834159429 605742195 /nfs/dbraw/zinc/74/21/95/605742195.db2.gz ZHYRCDINEGPRCD-NSHDSACASA-N -1 0 311.301 1.323 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1csc([N+](=O)[O-])c1 ZINC000834228559 605797188 /nfs/dbraw/zinc/79/71/88/605797188.db2.gz LAGRQASJNXTSKO-UHFFFAOYSA-N -1 0 300.296 1.154 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)C2CCCC2)c1 ZINC000834266823 605804046 /nfs/dbraw/zinc/80/40/46/605804046.db2.gz JTOZICRRJPNCRU-UHFFFAOYSA-N -1 0 305.334 1.657 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)CC(F)(F)F)c1 ZINC000834266955 605804305 /nfs/dbraw/zinc/80/43/05/605804305.db2.gz MKGBDTGEFOBZAS-UHFFFAOYSA-N -1 0 319.239 1.419 20 50 DDGDRM CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833844204 605811053 /nfs/dbraw/zinc/81/10/53/605811053.db2.gz IKFMXFYNNCIODA-GHMZBOCLSA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1c(Cl)ccc2cccnc21 ZINC000834200121 605857558 /nfs/dbraw/zinc/85/75/58/605857558.db2.gz YUHXHTHYRJEISD-UHFFFAOYSA-N -1 0 306.709 1.606 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)COc1ccc(F)cc1 ZINC000834170587 605859478 /nfs/dbraw/zinc/85/94/78/605859478.db2.gz UYISGRJDBBWVJE-LLVKDONJSA-N -1 0 309.297 1.497 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)Cc1cccc(Cl)c1 ZINC000834230267 605979375 /nfs/dbraw/zinc/97/93/75/605979375.db2.gz BJUVEEBIXIHMRH-UHFFFAOYSA-N -1 0 313.741 1.078 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)CNc2ccccc2)CC1 ZINC000834007197 605990269 /nfs/dbraw/zinc/99/02/69/605990269.db2.gz QQHRLIYMSXSTPV-UHFFFAOYSA-N -1 0 304.350 1.735 20 50 DDGDRM CCCN(CCNC(=O)NNC(=O)c1ccccc1)C(=O)[O-] ZINC000833855476 605995632 /nfs/dbraw/zinc/99/56/32/605995632.db2.gz XVAQXVAHCGCMGN-UHFFFAOYSA-N -1 0 308.338 1.021 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)COc2ccccc2F)C1 ZINC000834010221 606046210 /nfs/dbraw/zinc/04/62/10/606046210.db2.gz LFDXGXXQNUNXTL-LLVKDONJSA-N -1 0 323.324 1.697 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)c1ccc(C(=O)[O-])s1 ZINC000832980844 602056923 /nfs/dbraw/zinc/05/69/23/602056923.db2.gz NODRRLLOMCTRFY-UHFFFAOYSA-N -1 0 318.354 1.758 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000827304614 602068677 /nfs/dbraw/zinc/06/86/77/602068677.db2.gz YNCVMGLFOHFNIS-HMHCLHNZSA-N -1 0 308.378 1.461 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1cccc2ccccc21)NC(=O)[O-] ZINC000824671979 602986663 /nfs/dbraw/zinc/98/66/63/602986663.db2.gz OOKYEFKEPXDBOS-SNVBAGLBSA-N -1 0 315.329 1.647 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NN=c1nccc[nH]1)Cc1ccccc1 ZINC000832106027 603458659 /nfs/dbraw/zinc/45/86/59/603458659.db2.gz UDAUDIBNYVJLMK-GFCCVEGCSA-N -1 0 315.333 1.189 20 50 DDGDRM CC(C[C@@H]1CCOC1)=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000824767537 603578664 /nfs/dbraw/zinc/57/86/64/603578664.db2.gz JESLSKIJCSDFRM-NSHDSACASA-N -1 0 312.370 1.231 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNc1cc(F)c(F)cc1F ZINC000823965377 603799580 /nfs/dbraw/zinc/79/95/80/603799580.db2.gz XVNLCICTKLUKCA-UHFFFAOYSA-N -1 0 305.256 1.841 20 50 DDGDRM O=C([O-])Nc1ccc(CC(=O)NNc2ccncc2Cl)cc1 ZINC000832841691 603805772 /nfs/dbraw/zinc/80/57/72/603805772.db2.gz MBKHMLHZPVUPCB-UHFFFAOYSA-N -1 0 320.736 1.933 20 50 DDGDRM O=C([O-])N1CCC(NC(=O)NNc2cccc(F)c2F)CC1 ZINC000831742517 603995213 /nfs/dbraw/zinc/99/52/13/603995213.db2.gz ITWAPPKNGXPURM-UHFFFAOYSA-N -1 0 314.292 1.733 20 50 DDGDRM Cc1ccc(=NNC(=O)NCCCN(C(=O)[O-])C2CC2)[nH]c1 ZINC000830396004 603999280 /nfs/dbraw/zinc/99/92/80/603999280.db2.gz RDKPOAKDVLLGKJ-UHFFFAOYSA-N -1 0 307.354 1.549 20 50 DDGDRM CC(=NNC(=O)NCC(F)(F)F)[C@H]1CCCCN1C(=O)[O-] ZINC000823528279 604087098 /nfs/dbraw/zinc/08/70/98/604087098.db2.gz RHIMJKVLBYBZFG-MRVPVSSYSA-N -1 0 310.276 1.756 20 50 DDGDRM CC(C)NC(=O)NNC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824373547 604321214 /nfs/dbraw/zinc/32/12/14/604321214.db2.gz KVVJARPXFLGVQD-WDEREUQCSA-N -1 0 314.386 1.141 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CS[C@H](C)CC(=O)[O-] ZINC000832977947 604745202 /nfs/dbraw/zinc/74/52/02/604745202.db2.gz ZJLXQKRJKTYTOW-LLVKDONJSA-N -1 0 324.402 1.281 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)CCc1ccco1 ZINC000833406453 605040052 /nfs/dbraw/zinc/04/00/52/605040052.db2.gz GTKWFBZXIWFWMK-NSHDSACASA-N -1 0 303.318 1.810 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000824867789 605125341 /nfs/dbraw/zinc/12/53/41/605125341.db2.gz FOGKCYGCTJZFKB-SSDOTTSWSA-N -1 0 309.351 1.380 20 50 DDGDRM COc1ccc(NNC(=O)C(C)(C)NC(=O)[O-])cc1Cl ZINC000833733678 605244954 /nfs/dbraw/zinc/24/49/54/605244954.db2.gz YJIOPHRFBHMQGO-UHFFFAOYSA-N -1 0 301.730 1.838 20 50 DDGDRM CC(C)N(CCC(=O)NNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000824341627 605407366 /nfs/dbraw/zinc/40/73/66/605407366.db2.gz QWEVWEOULXCNGG-UHFFFAOYSA-N -1 0 310.310 1.816 20 50 DDGDRM O=C([O-])N1CCC[C@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834049977 605508550 /nfs/dbraw/zinc/50/85/50/605508550.db2.gz UMNKQHYZDDOISB-VIFPVBQESA-N -1 0 303.322 1.396 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000833385447 605587237 /nfs/dbraw/zinc/58/72/37/605587237.db2.gz YVBACERRJBXOJA-UHFFFAOYSA-N -1 0 315.333 1.039 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(Br)cc1 ZINC000833384843 605587312 /nfs/dbraw/zinc/58/73/12/605587312.db2.gz NTDGCJLOQGWXGH-UHFFFAOYSA-N -1 0 314.139 1.557 20 50 DDGDRM CCn1cc(NC(=O)NNc2cccc(C(=O)[O-])c2)ccc1=O ZINC000833681901 605631817 /nfs/dbraw/zinc/63/18/17/605631817.db2.gz LPCDPRTXZJCAGN-UHFFFAOYSA-N -1 0 316.317 1.715 20 50 DDGDRM CN(CC(=O)NNc1cccc(C(=O)[O-])c1)[C@H]1CCSC1 ZINC000833692387 605733430 /nfs/dbraw/zinc/73/34/30/605733430.db2.gz ODKYXQVKKIOBLF-LBPRGKRZSA-N -1 0 309.391 1.265 20 50 DDGDRM C=CCNC(=S)NNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000823510661 605802961 /nfs/dbraw/zinc/80/29/61/605802961.db2.gz GLDRBFULNJOPNB-UHFFFAOYSA-N -1 0 308.363 1.380 20 50 DDGDRM Cc1ncsc1C(=O)NN=Cc1cccnc1NC(=O)[O-] ZINC000833918660 605955245 /nfs/dbraw/zinc/95/52/45/605955245.db2.gz UZZMRYZIKNYMRH-UHFFFAOYSA-N -1 0 305.319 1.700 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cccc(Cl)c1F ZINC000834229859 605974953 /nfs/dbraw/zinc/97/49/53/605974953.db2.gz JQSGDLUMFYGXAV-UHFFFAOYSA-N -1 0 317.704 1.288 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cccc(F)c1Cl ZINC000834229649 605977957 /nfs/dbraw/zinc/97/79/57/605977957.db2.gz CPGLYWWKMGWGDH-UHFFFAOYSA-N -1 0 317.704 1.288 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)c2ccc(Cl)nc2)CC1 ZINC000834044169 605990848 /nfs/dbraw/zinc/99/08/48/605990848.db2.gz AKWKBVRYFFVKBQ-UHFFFAOYSA-N -1 0 310.741 1.985 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1ccccc1[N+](=O)[O-] ZINC000834134058 605999525 /nfs/dbraw/zinc/99/95/25/605999525.db2.gz FNGKYABVJFAQHY-ZETCQYMHSA-N -1 0 318.236 1.329 20 50 DDGDRM O=C([N-]NC(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823277588 606487924 /nfs/dbraw/zinc/48/79/24/606487924.db2.gz RADVMFZMYRDOOK-UHFFFAOYSA-N -1 0 314.330 1.003 20 50 DDGDRM CS[C@H](C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826225188 608572154 /nfs/dbraw/zinc/57/21/54/608572154.db2.gz VZZSWXZDGAWYTF-RXMQYKEDSA-N -1 0 313.774 1.110 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)CNc2ccccc2)C1 ZINC000833111121 601209081 /nfs/dbraw/zinc/20/90/81/601209081.db2.gz CYQCMPHFURXNLU-RYUDHWBXSA-N -1 0 319.361 1.137 20 50 DDGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccnc(C(=O)[O-])c1 ZINC000832097805 601282747 /nfs/dbraw/zinc/28/27/47/601282747.db2.gz NQPOBAMMXCUIIC-UHFFFAOYSA-N -1 0 318.241 1.916 20 50 DDGDRM N#Cc1cccc([C@@H](NNC(=O)CCc2ccco2)C(=O)[O-])c1 ZINC000833075139 601303728 /nfs/dbraw/zinc/30/37/28/601303728.db2.gz IDCCOEZCILUSKQ-OAHLLOKOSA-N -1 0 313.313 1.531 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000827304340 602182611 /nfs/dbraw/zinc/18/26/11/602182611.db2.gz RWPWSBSGPMQPAN-ZCFIWIBFSA-N -1 0 302.689 1.351 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000827303512 602266015 /nfs/dbraw/zinc/26/60/15/602266015.db2.gz GJUUORSXIDWIBD-VIFPVBQESA-N -1 0 324.406 1.181 20 50 DDGDRM Cc1cc[nH]c(=NNC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000830610809 603480657 /nfs/dbraw/zinc/48/06/57/603480657.db2.gz BZRYMJVFZCEACL-ZDUSSCGKSA-N -1 0 314.345 1.712 20 50 DDGDRM Cn1c2ccccc2sc1=NNC(=O)CC1CN(C(=O)[O-])C1 ZINC000830964495 603561348 /nfs/dbraw/zinc/56/13/48/603561348.db2.gz STZUMOFTEAKQJU-UHFFFAOYSA-N -1 0 320.374 1.172 20 50 DDGDRM CC(C)CC(=O)NNC(=O)N[C@@H](CNC(=O)[O-])CC(C)C ZINC000824170117 603665736 /nfs/dbraw/zinc/66/57/36/603665736.db2.gz FOVPARMQVYNTHF-SNVBAGLBSA-N -1 0 302.375 1.045 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000831907933 603828827 /nfs/dbraw/zinc/82/88/27/603828827.db2.gz LNPPMPYHTWIMQJ-LBPRGKRZSA-N -1 0 312.257 1.130 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2cc(F)c(F)cc2F)C1 ZINC000831907306 603899272 /nfs/dbraw/zinc/89/92/72/603899272.db2.gz BOWHAXXVGVNLHN-LBPRGKRZSA-N -1 0 321.230 1.639 20 50 DDGDRM O=C([O-])N1CC[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831742664 604037155 /nfs/dbraw/zinc/03/71/55/604037155.db2.gz NCPBSCUVJRLLFP-ZCFIWIBFSA-N -1 0 318.255 1.482 20 50 DDGDRM C[C@H](NC(=O)[O-])C(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000825185539 604102027 /nfs/dbraw/zinc/10/20/27/604102027.db2.gz FHNDDIKMGUYXDZ-VIFPVBQESA-N -1 0 301.306 1.243 20 50 DDGDRM N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000831066146 604105405 /nfs/dbraw/zinc/10/54/05/604105405.db2.gz VDYMGZIQECTIAQ-BFTHVDOESA-N -1 0 316.313 1.842 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNc1cccc(C(F)(F)F)n1 ZINC000824868675 604222932 /nfs/dbraw/zinc/22/29/32/604222932.db2.gz PDBURSNQVOTQIU-ZETCQYMHSA-N -1 0 320.271 1.789 20 50 DDGDRM CCC(CC)CC(=O)NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000826571448 604304733 /nfs/dbraw/zinc/30/47/33/604304733.db2.gz IGNVWJJBVMVDDU-UHFFFAOYSA-N -1 0 314.386 1.286 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)C1CCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824670974 604351579 /nfs/dbraw/zinc/35/15/79/604351579.db2.gz CLIYUWWPTBYPOC-ZYHUDNBSSA-N -1 0 311.382 1.350 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NN=c2nc[nH]c3ccsc32)nc1 ZINC000833311618 604425404 /nfs/dbraw/zinc/42/54/04/604425404.db2.gz WOQCQJVHLSZLQE-UHFFFAOYSA-N -1 0 315.314 1.541 20 50 DDGDRM CN(CC(=O)NNc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000833692082 604468500 /nfs/dbraw/zinc/46/85/00/604468500.db2.gz KXEJQZXQYYDOCE-UHFFFAOYSA-N -1 0 309.219 1.897 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824672387 604657787 /nfs/dbraw/zinc/65/77/87/604657787.db2.gz WWCSMXNNNGVNMO-JTQLQIEISA-N -1 0 322.365 1.192 20 50 DDGDRM CC(C)(NC(=O)[O-])C(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000833460580 604938904 /nfs/dbraw/zinc/93/89/04/604938904.db2.gz DMHZXBQPXVGCLY-UHFFFAOYSA-N -1 0 316.701 1.738 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc(C2CCCCC2)cc1 ZINC000834203762 605471240 /nfs/dbraw/zinc/47/12/40/605471240.db2.gz ZONNMYPNBJWYEL-UHFFFAOYSA-N -1 0 319.361 1.763 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834086542 605508585 /nfs/dbraw/zinc/50/85/85/605508585.db2.gz VGRBPCXYMDLHFL-ZDUSSCGKSA-N -1 0 307.285 1.098 20 50 DDGDRM N#Cc1cccc(NNC(=O)CC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000833976827 605532935 /nfs/dbraw/zinc/53/29/35/605532935.db2.gz RJEIBZRBPSAUEP-ZDUSSCGKSA-N -1 0 302.334 1.924 20 50 DDGDRM CCOc1ccc(C(C)=NNC(=O)NCC(=O)[O-])cc1OCC ZINC000833663053 605592237 /nfs/dbraw/zinc/59/22/37/605592237.db2.gz GQLRFYVJXCBDGD-UHFFFAOYSA-N -1 0 323.349 1.592 20 50 DDGDRM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NNc1ncc(F)cn1 ZINC000834048483 605692346 /nfs/dbraw/zinc/69/23/46/605692346.db2.gz LYXOHLVWFAFSRX-GDPRMGEGSA-N -1 0 323.328 1.370 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccccc1F)C[C@H]1CCCO1 ZINC000834005290 605716967 /nfs/dbraw/zinc/71/69/67/605716967.db2.gz CAEHUOAOEMEXKC-SNVBAGLBSA-N -1 0 311.313 1.428 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cnccn1 ZINC000834044201 605722518 /nfs/dbraw/zinc/72/25/18/605722518.db2.gz BDMNBYDQOYLMCD-ZWNOBZJWSA-N -1 0 317.349 1.505 20 50 DDGDRM CC(C)(C)NC(=O)CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833431816 605743131 /nfs/dbraw/zinc/74/31/31/605743131.db2.gz WMKGSHLWMXWDNN-UHFFFAOYSA-N -1 0 322.365 1.316 20 50 DDGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)C1CCOCC1 ZINC000833520865 605746507 /nfs/dbraw/zinc/74/65/07/605746507.db2.gz JACYYVPASAHXET-SNVBAGLBSA-N -1 0 307.350 1.826 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1csc(-c2cccs2)n1 ZINC000834227491 605749281 /nfs/dbraw/zinc/74/92/81/605749281.db2.gz VQCBPISIXPQXFP-UHFFFAOYSA-N -1 0 324.387 1.979 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNc1ccc(F)c(F)c1F ZINC000834233702 605926417 /nfs/dbraw/zinc/92/64/17/605926417.db2.gz BOMBJTRQYDOSFG-UHFFFAOYSA-N -1 0 305.256 1.985 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc2c(c1)CCCC2 ZINC000834230144 605976441 /nfs/dbraw/zinc/97/64/41/605976441.db2.gz SOQKHIQXHBMLKQ-UHFFFAOYSA-N -1 0 319.361 1.374 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000834230247 605978037 /nfs/dbraw/zinc/97/80/37/605978037.db2.gz AVYOZKDRFKCSTJ-VXGBXAGGSA-N -1 0 323.324 1.124 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000834232017 605978262 /nfs/dbraw/zinc/97/82/62/605978262.db2.gz VGNRVOMFNOTYLL-NEPJUHHUSA-N -1 0 311.382 1.398 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000834045506 605992015 /nfs/dbraw/zinc/99/20/15/605992015.db2.gz PHKRNMKCTPASJH-CQSZACIVSA-N -1 0 317.345 1.626 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)CNc2ccccc2F)C1 ZINC000834004883 606046097 /nfs/dbraw/zinc/04/60/97/606046097.db2.gz BCEKJQWCSBZMAE-NSHDSACASA-N -1 0 322.340 1.730 20 50 DDGDRM Cc1ncsc1C(=O)NN[C@H](C(=O)[O-])c1ccccc1F ZINC000833010800 600748065 /nfs/dbraw/zinc/74/80/65/600748065.db2.gz ULGSBLLBIKJLCO-JTQLQIEISA-N -1 0 309.322 1.651 20 50 DDGDRM N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000833073937 600932493 /nfs/dbraw/zinc/93/24/93/600932493.db2.gz KMUMAQWXESIXED-STQMWFEESA-N -1 0 315.329 1.210 20 50 DDGDRM COc1ccc(NNC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000832413218 601188218 /nfs/dbraw/zinc/18/82/18/601188218.db2.gz KNDXBHMNDRWJBR-UHFFFAOYSA-N -1 0 316.313 1.916 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000833016587 601536459 /nfs/dbraw/zinc/53/64/59/601536459.db2.gz YSCKJLNXORREMM-NSHDSACASA-N -1 0 313.785 1.722 20 50 DDGDRM O=C([O-])Nc1cccc(C(=O)NN=c2[nH]cccc2[N+](=O)[O-])c1 ZINC000833287856 602323804 /nfs/dbraw/zinc/32/38/04/602323804.db2.gz BUABFHQSGNTEMY-UHFFFAOYSA-N -1 0 317.261 1.837 20 50 DDGDRM O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1[O-] ZINC000826447211 607563742 /nfs/dbraw/zinc/56/37/42/607563742.db2.gz UAKZBCXAJUHYEO-UHFFFAOYSA-N -1 0 314.280 1.468 20 50 DDGDRM CCOC(=O)NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827328943 603217938 /nfs/dbraw/zinc/21/79/38/603217938.db2.gz RXZZRZOBSMBPIR-MWLCHTKSSA-N -1 0 309.322 1.409 20 50 DDGDRM CC(C)(C(=O)NNC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000823744079 603772620 /nfs/dbraw/zinc/77/26/20/603772620.db2.gz WIABAPGWSQUGQW-UHFFFAOYSA-N -1 0 319.361 1.112 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2cccc(Cl)c2)C1 ZINC000831909264 603828846 /nfs/dbraw/zinc/82/88/46/603828846.db2.gz YADYITXOYFFDQH-GFCCVEGCSA-N -1 0 301.705 1.875 20 50 DDGDRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NNC(=O)C1CCC1 ZINC000831308228 603891028 /nfs/dbraw/zinc/89/10/28/603891028.db2.gz PCIFAIPOYXTVOV-CLYYMRHHSA-N -1 0 309.366 1.245 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NN=c2[nH]ccc3sccc32)C1 ZINC000831908173 603897652 /nfs/dbraw/zinc/89/76/52/603897652.db2.gz PQYGQRFNWWGHTM-ZDUSSCGKSA-N -1 0 324.337 1.831 20 50 DDGDRM CSCC[C@@H](NC(=O)[O-])C(=O)NNc1cccc(F)c1F ZINC000829728952 603932849 /nfs/dbraw/zinc/93/28/49/603932849.db2.gz ACDAAJOSMBINGS-SECBINFHSA-N -1 0 319.333 1.797 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 ZINC000832356110 603937801 /nfs/dbraw/zinc/93/78/01/603937801.db2.gz BELMRWGQUBEOFC-GHMZBOCLSA-N -1 0 322.365 1.382 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NN=c1[nH]ccc2sccc21 ZINC000831742824 604005260 /nfs/dbraw/zinc/00/52/60/604005260.db2.gz RZSHWLYDQZLEMW-SECBINFHSA-N -1 0 306.347 1.882 20 50 DDGDRM O=C([O-])NCCOCC(=O)NNc1ccc(Cl)c(F)c1 ZINC000832669385 604005908 /nfs/dbraw/zinc/00/59/08/604005908.db2.gz XJQVBDSSHCVPRX-UHFFFAOYSA-N -1 0 305.693 1.206 20 50 DDGDRM CCCNC(=O)NNC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826926422 604320882 /nfs/dbraw/zinc/32/08/82/604320882.db2.gz ZDLYKSAHBZBMLN-WDEREUQCSA-N -1 0 314.386 1.143 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)C1CCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824670973 604351802 /nfs/dbraw/zinc/35/18/02/604351802.db2.gz CLIYUWWPTBYPOC-PWSUYJOCSA-N -1 0 311.382 1.350 20 50 DDGDRM CSCC[C@@H](NC(=O)[O-])C(=O)NNc1cc(C)ccc1F ZINC000829730215 604413407 /nfs/dbraw/zinc/41/34/07/604413407.db2.gz LIXKVDAKJFOHAZ-SNVBAGLBSA-N -1 0 315.370 1.967 20 50 DDGDRM C[C@@H](Oc1cccc(F)c1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833541893 604800708 /nfs/dbraw/zinc/80/07/08/604800708.db2.gz WWLMZXBCFUUBTE-SECBINFHSA-N -1 0 319.292 1.830 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000833454299 605108266 /nfs/dbraw/zinc/10/82/66/605108266.db2.gz JTEFXTGCOIDYQZ-UHFFFAOYSA-N -1 0 303.318 1.210 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1cc(F)c(F)cc1F ZINC000832653092 605240027 /nfs/dbraw/zinc/24/00/27/605240027.db2.gz QSQYUAIYILEBSP-UHFFFAOYSA-N -1 0 304.228 1.005 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1c(Cl)cccc1N1CCCC1 ZINC000834199861 605383334 /nfs/dbraw/zinc/38/33/34/605383334.db2.gz QNRXKTANPUJSEV-UHFFFAOYSA-N -1 0 324.768 1.658 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833970910 605515453 /nfs/dbraw/zinc/51/54/53/605515453.db2.gz XHANQFKVNHKYLT-SECBINFHSA-N -1 0 323.740 1.440 20 50 DDGDRM O=C([O-])N1CCC[C@@H](NC(=O)NN=c2cc(Cl)cc[nH]2)C1 ZINC000834049212 605524554 /nfs/dbraw/zinc/52/45/54/605524554.db2.gz YKRGJDQOLCZMCE-SECBINFHSA-N -1 0 313.745 1.504 20 50 DDGDRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NNc1ccc([N+](=O)[O-])cc1 ZINC000833997904 605531169 /nfs/dbraw/zinc/53/11/69/605531169.db2.gz KBLIUOBFZJWDRN-NSHDSACASA-N -1 0 322.321 1.961 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000833384459 605590021 /nfs/dbraw/zinc/59/00/21/605590021.db2.gz JLKQOZHZCFCITR-UHFFFAOYSA-N -1 0 319.239 1.693 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1cc(C)ccc1OC(F)F ZINC000833385213 605590131 /nfs/dbraw/zinc/59/01/31/605590131.db2.gz SZIHSFHNFOPVHL-UHFFFAOYSA-N -1 0 315.276 1.704 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000823822605 605600514 /nfs/dbraw/zinc/60/05/14/605600514.db2.gz NPZKLFVJJLMVEK-QMMMGPOBSA-N -1 0 319.383 1.028 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(F)c(C(F)(F)F)c1 ZINC000834227117 605749503 /nfs/dbraw/zinc/74/95/03/605749503.db2.gz JYKOYCNPFZWLMK-UHFFFAOYSA-N -1 0 321.230 1.952 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)NC1CCCCCCC1 ZINC000834232420 605808705 /nfs/dbraw/zinc/80/87/05/605808705.db2.gz PMZVLGVZQWDRKI-UHFFFAOYSA-N -1 0 314.386 1.478 20 50 DDGDRM O=C([O-])N[C@@H](CNC(=O)NNc1ccc(Cl)nc1)C1CC1 ZINC000834141443 605944689 /nfs/dbraw/zinc/94/46/89/605944689.db2.gz AERRQGCHXKSVQE-VIFPVBQESA-N -1 0 313.745 1.407 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1CCCc2ccccc21 ZINC000834232365 605974596 /nfs/dbraw/zinc/97/45/96/605974596.db2.gz ZKOJRAQYXNUOKJ-ZDUSSCGKSA-N -1 0 319.361 1.302 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1 ZINC000834000885 606033798 /nfs/dbraw/zinc/03/37/98/606033798.db2.gz AFCRIGYCKQYTCG-UHFFFAOYSA-N -1 0 319.243 1.081 20 50 DDGDRM O=C([N-]NC(=O)c1ccccc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823277837 606477515 /nfs/dbraw/zinc/47/75/15/606477515.db2.gz YCWVMAZSPFZSPE-UHFFFAOYSA-N -1 0 314.330 1.003 20 50 DDGDRM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)[O-] ZINC000830060029 601138665 /nfs/dbraw/zinc/13/86/65/601138665.db2.gz XQKFXYLDIFNTLL-UHFFFAOYSA-N -1 0 310.310 1.091 20 50 DDGDRM O=C([O-])COc1ccc(C(=O)NNc2cccnc2Cl)cc1 ZINC000833253813 601589826 /nfs/dbraw/zinc/58/98/26/601589826.db2.gz XWVIQTWBYHWTHK-UHFFFAOYSA-N -1 0 321.720 1.955 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000832980405 602057948 /nfs/dbraw/zinc/05/79/48/602057948.db2.gz DAMYLETWODRHIP-UHFFFAOYSA-N -1 0 313.313 1.092 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000827303462 602068586 /nfs/dbraw/zinc/06/85/86/602068586.db2.gz FQLSWZSUXZTFLS-LKBWSCCASA-N -1 0 322.405 1.851 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000828309316 602071686 /nfs/dbraw/zinc/07/16/86/602071686.db2.gz BMADZTWIVAEWQN-DTWKUNHWSA-N -1 0 324.402 1.745 20 50 DDGDRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NNc1ccc(F)cn1 ZINC000832473964 603858591 /nfs/dbraw/zinc/85/85/91/603858591.db2.gz GCZCNGQHRWBJFO-PSASIEDQSA-N -1 0 311.317 1.283 20 50 DDGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NN=c1ccc(C)c[nH]1 ZINC000826794781 603891672 /nfs/dbraw/zinc/89/16/72/603891672.db2.gz JVFZPHFXMHEJNQ-LLVKDONJSA-N -1 0 309.370 1.843 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1cc(F)c(F)c(F)c1)CC1CC1 ZINC000831464663 604007769 /nfs/dbraw/zinc/00/77/69/604007769.db2.gz VXGBURGPTBSYKL-UHFFFAOYSA-N -1 0 317.267 1.937 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1cccc(Cl)c1 ZINC000824867462 604060100 /nfs/dbraw/zinc/06/01/00/604060100.db2.gz CFEHYMOKAOQQLL-MRVPVSSYSA-N -1 0 313.741 1.347 20 50 DDGDRM COCCO[C@@H](C)C(=O)NN=C(C)[C@@H]1CCCCN1C(=O)[O-] ZINC000828996858 604088570 /nfs/dbraw/zinc/08/85/70/604088570.db2.gz YAGFDFPKMPEIMU-RYUDHWBXSA-N -1 0 315.370 1.063 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNc1cc(F)c(F)cc1F ZINC000824867898 604221424 /nfs/dbraw/zinc/22/14/24/604221424.db2.gz GQXWVXZLVVQAIZ-LURJTMIESA-N -1 0 305.256 1.793 20 50 DDGDRM C[C@@H](CCNC(=O)NN=c1nc[nH]c2ccsc21)NC(=O)[O-] ZINC000824793239 604268946 /nfs/dbraw/zinc/26/89/46/604268946.db2.gz GZIMCUHAMMOEIG-ZETCQYMHSA-N -1 0 324.366 1.364 20 50 DDGDRM Cc1ccc(I)cc1C(=O)NNC(=O)[O-] ZINC000830333255 604283874 /nfs/dbraw/zinc/28/38/74/604283874.db2.gz RQTMKWPGXTVOLC-UHFFFAOYSA-N -1 0 320.086 1.512 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000832176199 604432116 /nfs/dbraw/zinc/43/21/16/604432116.db2.gz VHIUCJIKVYULHG-UHFFFAOYSA-N -1 0 314.685 1.492 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000830566630 604497008 /nfs/dbraw/zinc/49/70/08/604497008.db2.gz DILPSHNQCDGSMQ-UHFFFAOYSA-N -1 0 319.361 1.075 20 50 DDGDRM CN(C)Cc1ccsc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833689781 604803798 /nfs/dbraw/zinc/80/37/98/604803798.db2.gz WEXWCDBWSANXNH-UHFFFAOYSA-N -1 0 320.374 1.660 20 50 DDGDRM O=C([O-])NC1(C(=O)NN=c2nc[nH]c3ccsc32)CCCC1 ZINC000832175783 605126349 /nfs/dbraw/zinc/12/63/49/605126349.db2.gz MIWNSXGDLJTUFG-UHFFFAOYSA-N -1 0 321.362 1.715 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNC(=O)CC1CCCC1 ZINC000834135831 605315166 /nfs/dbraw/zinc/31/51/66/605315166.db2.gz NKAMTJMSXSOVLG-MRVPVSSYSA-N -1 0 307.297 1.006 20 50 DDGDRM CC(=NNC(=O)[O-])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000833384229 605323167 /nfs/dbraw/zinc/32/31/67/605323167.db2.gz FPPFDKRPBOZCTG-ZDUSSCGKSA-N -1 0 321.333 1.668 20 50 DDGDRM CC(=NNC(=O)NCC1CC1)c1ccccc1OCC(=O)[O-] ZINC000833384984 605326299 /nfs/dbraw/zinc/32/62/99/605326299.db2.gz QIKVOUYELUXMIQ-UHFFFAOYSA-N -1 0 305.334 1.583 20 50 DDGDRM O=C([O-])NNC(=O)Cc1ccccc1I ZINC000832748747 605360450 /nfs/dbraw/zinc/36/04/50/605360450.db2.gz SPBOFPXPVVZAGI-UHFFFAOYSA-N -1 0 320.086 1.133 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1csc(Br)c1 ZINC000834202295 605388613 /nfs/dbraw/zinc/38/86/13/605388613.db2.gz UMVVZBRSUFMIPY-UHFFFAOYSA-N -1 0 306.141 1.228 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNC(=O)c1ccccc1F ZINC000833998262 605390023 /nfs/dbraw/zinc/39/00/23/605390023.db2.gz MKVSKSPGONJRBU-JTQLQIEISA-N -1 0 323.324 1.509 20 50 DDGDRM N#C/C(=C\c1ccc(O)cc1)C(=O)OC1CCN(C(=O)[O-])CC1 ZINC000833961796 605417134 /nfs/dbraw/zinc/41/71/34/605417134.db2.gz XJNZVRKFWYEHSS-FMIVXFBMSA-N -1 0 316.313 1.985 20 50 DDGDRM COc1ccc(NNC(=O)CCCNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829482968 605422031 /nfs/dbraw/zinc/42/20/31/605422031.db2.gz BRFKFDZNHRBHED-UHFFFAOYSA-N -1 0 312.282 1.094 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1cccc(Cl)c1Cl ZINC000834202924 605463652 /nfs/dbraw/zinc/46/36/52/605463652.db2.gz HKLJVVSBCMSYQY-UHFFFAOYSA-N -1 0 306.105 1.022 20 50 DDGDRM O=C([O-])NNC(=O)Cc1cccc(OCc2cccnc2)c1 ZINC000834250443 605700243 /nfs/dbraw/zinc/70/02/43/605700243.db2.gz IYJGBDAJITXKJZ-UHFFFAOYSA-N -1 0 301.302 1.502 20 50 DDGDRM CCN(CC)C(=O)CCCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833653745 605732988 /nfs/dbraw/zinc/73/29/88/605732988.db2.gz GPPAYRNTYGETQK-UHFFFAOYSA-N -1 0 321.377 1.867 20 50 DDGDRM Cn1c(C=NNC(=O)CCNC(=O)[O-])nc2cc(Cl)ccc21 ZINC000833940981 605748567 /nfs/dbraw/zinc/74/85/67/605748567.db2.gz GQDSQTPLLOAIHU-UHFFFAOYSA-N -1 0 323.740 1.335 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)COCc1ccccc1 ZINC000834170129 605861566 /nfs/dbraw/zinc/86/15/66/605861566.db2.gz SELOSSIWBGHSNB-LBPRGKRZSA-N -1 0 305.334 1.496 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNc2ccnc(F)c2)c1 ZINC000834267266 605874827 /nfs/dbraw/zinc/87/48/27/605874827.db2.gz VBMWMKCQYZFXED-UHFFFAOYSA-N -1 0 304.281 1.996 20 50 DDGDRM Cn1cc(C=NNC(=O)NCCNC(=O)[O-])c2ccccc21 ZINC000833945710 606053281 /nfs/dbraw/zinc/05/32/81/606053281.db2.gz AEQMWEPSNXFDTF-UHFFFAOYSA-N -1 0 303.322 1.079 20 50 DDGDRM N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833072737 600916568 /nfs/dbraw/zinc/91/65/68/600916568.db2.gz YEPYCPGGDXEXSV-QWHCGFSZSA-N -1 0 315.329 1.210 20 50 DDGDRM CN(C)Cc1ccc(C(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)o1 ZINC000830620330 601336395 /nfs/dbraw/zinc/33/63/95/601336395.db2.gz UPSIIIYXWNLGEN-UHFFFAOYSA-N -1 0 304.306 1.131 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1 ZINC000832277199 603624927 /nfs/dbraw/zinc/62/49/27/603624927.db2.gz HARVLQNRULPPCF-RNFRBKRXSA-N -1 0 317.267 1.983 20 50 DDGDRM CC(C)CC(=O)NNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824170888 603821816 /nfs/dbraw/zinc/82/18/16/603821816.db2.gz UKWSAQJZNGIDNY-YOGCLGLASA-N -1 0 311.382 1.491 20 50 DDGDRM COCCN(CC(=O)NNc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000828976697 603998734 /nfs/dbraw/zinc/99/87/34/603998734.db2.gz QFCWJEIKNSTOKO-UHFFFAOYSA-N -1 0 309.366 1.681 20 50 DDGDRM C[C@]1(C(=O)NNc2cc(F)c(F)cc2F)CCN(C(=O)[O-])C1 ZINC000825673377 604065905 /nfs/dbraw/zinc/06/59/05/604065905.db2.gz PUCOIGZSECUDIT-ZDUSSCGKSA-N -1 0 317.267 1.937 20 50 DDGDRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(F)cc1 ZINC000832472786 604178569 /nfs/dbraw/zinc/17/85/69/604178569.db2.gz AGIWSWZFNSAWDB-CABZTGNLSA-N -1 0 310.329 1.888 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1ccc(F)c2cccnc12 ZINC000832652535 604305675 /nfs/dbraw/zinc/30/56/75/604305675.db2.gz DUZPMKDHEAZXAJ-UHFFFAOYSA-N -1 0 319.296 1.275 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000833765917 604795491 /nfs/dbraw/zinc/79/54/91/604795491.db2.gz WHRGYGFVXFEGTA-UHFFFAOYSA-N -1 0 315.285 1.979 20 50 DDGDRM C[C@H]1CCCC[C@H]1OCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833611104 604802922 /nfs/dbraw/zinc/80/29/22/604802922.db2.gz HVBDIIAVTFNGDM-CMPLNLGQSA-N -1 0 307.350 1.818 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1CC(=O)NN=c1nc[nH]c2ccsc21 ZINC000831339547 605125476 /nfs/dbraw/zinc/12/54/76/605125476.db2.gz INPNMEQLUFYJFQ-MRVPVSSYSA-N -1 0 321.362 1.667 20 50 DDGDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NNc1ccccn1 ZINC000834150567 605324715 /nfs/dbraw/zinc/32/47/15/605324715.db2.gz PQUSRPQKHPBNSY-GFCCVEGCSA-N -1 0 300.318 1.404 20 50 DDGDRM O=C([O-])NCCCC(=O)N[N-]C(=O)c1nc2ccccc2s1 ZINC000834231370 605395467 /nfs/dbraw/zinc/39/54/67/605395467.db2.gz GWWWZZNSHGSZPY-UHFFFAOYSA-N -1 0 322.346 1.105 20 50 DDGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)Cc1ccccn1 ZINC000824759788 605465743 /nfs/dbraw/zinc/46/57/43/605465743.db2.gz PMEQOVWNXLBZRW-ZDUSSCGKSA-N -1 0 304.350 1.649 20 50 DDGDRM CCCn1c(C=NNC(=O)NCC(=O)[O-])nc2ccccc21 ZINC000833652852 605588983 /nfs/dbraw/zinc/58/89/83/605588983.db2.gz PBPQFBMXFKBEPB-UHFFFAOYSA-N -1 0 303.322 1.164 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)Cc1cn2ccccc2n1 ZINC000833801696 605625009 /nfs/dbraw/zinc/62/50/09/605625009.db2.gz LXHSDKFIFZGILL-SNVBAGLBSA-N -1 0 317.349 1.415 20 50 DDGDRM O=C([O-])NCCC(=O)NNc1ccccc1Br ZINC000834228177 605718219 /nfs/dbraw/zinc/71/82/19/605718219.db2.gz CXYFEWYDMZDTQG-UHFFFAOYSA-N -1 0 302.128 1.550 20 50 DDGDRM N#Cc1ccc(NNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000833974610 605718948 /nfs/dbraw/zinc/71/89/48/605718948.db2.gz KATAXSFHDQQVRT-YPMHNXCESA-N -1 0 302.334 1.828 20 50 DDGDRM C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833536678 605721766 /nfs/dbraw/zinc/72/17/66/605721766.db2.gz UETVCGADRWEGGD-NWDGAFQWSA-N -1 0 322.361 1.802 20 50 DDGDRM CO[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1(C)C ZINC000833719686 605747358 /nfs/dbraw/zinc/74/73/58/605747358.db2.gz SPTQNSCFECTPAF-NEPJUHHUSA-N -1 0 307.350 1.824 20 50 DDGDRM Cn1cc(C=NNC(=O)CCNC(=O)[O-])c(-c2ccccc2)n1 ZINC000833946176 605748557 /nfs/dbraw/zinc/74/85/57/605748557.db2.gz FOCJIPMOTXFJEE-UHFFFAOYSA-N -1 0 315.333 1.195 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cccc(C(F)(F)F)c1 ZINC000834227107 605749078 /nfs/dbraw/zinc/74/90/78/605749078.db2.gz JJXKFNBSJKRUDB-UHFFFAOYSA-N -1 0 303.240 1.813 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cccc(OC(F)(F)F)c1 ZINC000834227114 605752544 /nfs/dbraw/zinc/75/25/44/605752544.db2.gz JTONYSLBWKJTRU-UHFFFAOYSA-N -1 0 319.239 1.693 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C[C@@H]1CCOc2ccccc21 ZINC000834228495 605797049 /nfs/dbraw/zinc/79/70/49/605797049.db2.gz JFSOZSCNOIVBGA-NSHDSACASA-N -1 0 305.334 1.703 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)NCCC1CCCCC1 ZINC000834232766 605812235 /nfs/dbraw/zinc/81/22/35/605812235.db2.gz XJWLMWQLCFPGIV-UHFFFAOYSA-N -1 0 314.386 1.335 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)c2ccncc2)c1 ZINC000834267247 605823919 /nfs/dbraw/zinc/82/39/19/605823919.db2.gz UDUWOPSYJLYNSZ-UHFFFAOYSA-N -1 0 314.301 1.175 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cnc2ccsc2c1 ZINC000834229747 605979319 /nfs/dbraw/zinc/97/93/19/605979319.db2.gz IAYDYPYUENKCRV-UHFFFAOYSA-N -1 0 322.346 1.105 20 50 DDGDRM N#Cc1cccc(C(=O)NN=C[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833977246 606051313 /nfs/dbraw/zinc/05/13/13/606051313.db2.gz PODOQNWUOYTZRZ-GFCCVEGCSA-N -1 0 300.318 1.664 20 50 DDGDRM Cc1ccoc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826315956 608579896 /nfs/dbraw/zinc/57/98/96/608579896.db2.gz ZKICMHXFVCQSJK-UHFFFAOYSA-N -1 0 319.712 1.573 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)c2ccnc(C(=O)[O-])c2)o1 ZINC000827144396 601281121 /nfs/dbraw/zinc/28/11/21/601281121.db2.gz MVGXXEDUBKYWPF-UHFFFAOYSA-N -1 0 315.289 1.520 20 50 DDGDRM N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[O-])CC1 ZINC000833061399 601413871 /nfs/dbraw/zinc/41/38/71/601413871.db2.gz AWCPRTRXWKTMIU-WLRTZDKTSA-N -1 0 302.290 1.755 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)NCC2(C(=O)[O-])CCCC2)c(C)o1 ZINC000832864676 601426062 /nfs/dbraw/zinc/42/60/62/601426062.db2.gz RBYXPSATZKJTMQ-UHFFFAOYSA-N -1 0 323.349 1.485 20 50 DDGDRM O=C([O-])Nc1ccc(C=NNC(=O)c2ccc(O)cc2)cn1 ZINC000832840239 603486108 /nfs/dbraw/zinc/48/61/08/603486108.db2.gz FHQDGEVIUSXAOP-UHFFFAOYSA-N -1 0 300.274 1.641 20 50 DDGDRM COc1ccccc1C(=O)NN=Cc1ccc(NC(=O)[O-])nc1 ZINC000829585849 603487010 /nfs/dbraw/zinc/48/70/10/603487010.db2.gz LBESKIMQDUCCRI-UHFFFAOYSA-N -1 0 314.301 1.944 20 50 DDGDRM CSCC[C@@H](NC(=O)[O-])C(=O)NNc1ccc(Cl)nc1 ZINC000829730158 604029852 /nfs/dbraw/zinc/02/98/52/604029852.db2.gz KRBNRIJVPGUEJW-MRVPVSSYSA-N -1 0 318.786 1.567 20 50 DDGDRM CC(C)(CNC(=O)NNc1cc(F)c(F)c(F)c1)NC(=O)[O-] ZINC000823941725 604044138 /nfs/dbraw/zinc/04/41/38/604044138.db2.gz XSAOGYHQUQROBD-UHFFFAOYSA-N -1 0 320.271 1.776 20 50 DDGDRM CSCC[C@@H](NC(=O)[O-])C(=O)NNc1cccnc1Cl ZINC000829729495 604105719 /nfs/dbraw/zinc/10/57/19/604105719.db2.gz GBRNJACTLNEDEP-MRVPVSSYSA-N -1 0 318.786 1.567 20 50 DDGDRM CCCC1(C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000826764884 604483954 /nfs/dbraw/zinc/48/39/54/604483954.db2.gz LWDLGXZQDBKGNE-UHFFFAOYSA-N -1 0 312.370 1.040 20 50 DDGDRM C[C@@H](CC(=O)NNc1cccnn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680634 604581288 /nfs/dbraw/zinc/58/12/88/604581288.db2.gz XSDMKNPZYSPQKC-WDEREUQCSA-N -1 0 307.354 1.336 20 50 DDGDRM O=C([O-])N1CC(NC(=O)NNc2cc(F)c(F)cc2F)C1 ZINC000831742751 604623705 /nfs/dbraw/zinc/62/37/05/604623705.db2.gz POUQICWTDFIAHK-UHFFFAOYSA-N -1 0 304.228 1.092 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CSC[C@H](C)C(=O)[O-] ZINC000832977308 604747665 /nfs/dbraw/zinc/74/76/65/604747665.db2.gz IFWWDEOWOKGMPP-NSHDSACASA-N -1 0 324.402 1.139 20 50 DDGDRM CC(C)(C)c1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)[nH]n1 ZINC000833446540 604804636 /nfs/dbraw/zinc/80/46/36/604804636.db2.gz CNUUDYRRJCSFJQ-UHFFFAOYSA-N -1 0 303.322 1.557 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNC(=S)NCC2CCC2)c1 ZINC000833765559 604811211 /nfs/dbraw/zinc/81/12/11/604811211.db2.gz FMIHDXSCAZYKQT-UHFFFAOYSA-N -1 0 321.402 1.223 20 50 DDGDRM CCC1(CC)C(=NNC(=O)NCCNC(=O)[O-])C[C@H]1OC ZINC000826643849 604935193 /nfs/dbraw/zinc/93/51/93/604935193.db2.gz CELHOTVILJHFKU-SNVBAGLBSA-N -1 0 300.359 1.134 20 50 DDGDRM CC(C)(C(=O)NN[C@@H](C(=O)[O-])c1cccnc1)c1ccccc1 ZINC000826080889 605000571 /nfs/dbraw/zinc/00/05/71/605000571.db2.gz JHJJRPKDCYOEGB-CQSZACIVSA-N -1 0 313.357 1.806 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1ccc(Cl)nc1 ZINC000824299691 605158892 /nfs/dbraw/zinc/15/88/92/605158892.db2.gz WXTDGKKETPKGDQ-VIFPVBQESA-N -1 0 300.746 1.860 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)CNC(=O)OC(C)(C)C ZINC000833801255 605379857 /nfs/dbraw/zinc/37/98/57/605379857.db2.gz HSNDNWBCIXODGS-QMMMGPOBSA-N -1 0 316.358 1.049 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000832277478 605409121 /nfs/dbraw/zinc/40/91/21/605409121.db2.gz IIHRNWJKLLGZNB-WCBMZHEXSA-N -1 0 308.294 1.474 20 50 DDGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)Cn1nc(C)cc1C ZINC000824760210 605460670 /nfs/dbraw/zinc/46/06/70/605460670.db2.gz SZIJHLWEQCQAEU-ZDUSSCGKSA-N -1 0 321.381 1.525 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000834203760 605464781 /nfs/dbraw/zinc/46/47/81/605464781.db2.gz ZMHSTEAEPQSYMZ-UHFFFAOYSA-N -1 0 313.313 1.382 20 50 DDGDRM O=C([O-])NNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000834251075 605678024 /nfs/dbraw/zinc/67/80/24/605678024.db2.gz RMVIGLKDPQBTHX-UHFFFAOYSA-N -1 0 300.265 1.869 20 50 DDGDRM N#Cc1cccc(NNC(=O)CC2CCN(C(=O)[O-])CC2)c1 ZINC000833976583 605715485 /nfs/dbraw/zinc/71/54/85/605715485.db2.gz PDCOUJDEPCXZGV-UHFFFAOYSA-N -1 0 302.334 1.781 20 50 DDGDRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000834048858 605741671 /nfs/dbraw/zinc/74/16/71/605741671.db2.gz UPHVWKSHBHZTGB-XCBNKYQSSA-N -1 0 317.704 1.035 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)C1CCC1 ZINC000834044261 605742545 /nfs/dbraw/zinc/74/25/45/605742545.db2.gz BYKHFUVVOXZRKO-AAEUAGOBSA-N -1 0 309.366 1.438 20 50 DDGDRM CC(C)(C)OC(=O)CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833433318 605743051 /nfs/dbraw/zinc/74/30/51/605743051.db2.gz IXTGHNZFJYPOEJ-UHFFFAOYSA-N -1 0 323.349 1.743 20 50 DDGDRM N#CC1=CCN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000833963927 605786838 /nfs/dbraw/zinc/78/68/38/605786838.db2.gz WXAZFEVLDJGPTL-OAHLLOKOSA-N -1 0 313.357 1.938 20 50 DDGDRM N#CC1=CCN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000833963926 605786890 /nfs/dbraw/zinc/78/68/90/605786890.db2.gz WXAZFEVLDJGPTL-HNNXBMFYSA-N -1 0 313.357 1.938 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)[nH]n1 ZINC000829962216 605811438 /nfs/dbraw/zinc/81/14/38/605811438.db2.gz XEFHXABOKJXNFF-UHFFFAOYSA-N -1 0 317.305 1.191 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)c1ccccc1C(F)(F)F ZINC000834228684 605843083 /nfs/dbraw/zinc/84/30/83/605843083.db2.gz NVEXGBXRBIKJSD-UHFFFAOYSA-N -1 0 319.239 1.124 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000834171248 605857029 /nfs/dbraw/zinc/85/70/29/605857029.db2.gz XLZOXYVZKJZYEB-RNCFNFMXSA-N -1 0 319.317 1.119 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)[C@H]1COc2ccccc2O1 ZINC000834171256 605857147 /nfs/dbraw/zinc/85/71/47/605857147.db2.gz XLZOXYVZKJZYEB-TVQRCGJNSA-N -1 0 319.317 1.119 20 50 DDGDRM O=C([O-])NC1(C(=O)OCCCI)CC1 ZINC000834154107 605865081 /nfs/dbraw/zinc/86/50/81/605865081.db2.gz MYCKQEGYCLFKRO-UHFFFAOYSA-N -1 0 313.091 1.155 20 50 DDGDRM Cc1[nH]ccc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826233617 608577303 /nfs/dbraw/zinc/57/73/03/608577303.db2.gz OUMZVGGKMSGQOE-UHFFFAOYSA-N -1 0 318.728 1.309 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832977578 600834733 /nfs/dbraw/zinc/83/47/33/600834733.db2.gz UUFWIWQDWVXGPE-VXGBXAGGSA-N -1 0 304.346 1.647 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(O)c1 ZINC000832912127 601209705 /nfs/dbraw/zinc/20/97/05/601209705.db2.gz VEKQEDRPFVMQHN-MNOVXSKESA-N -1 0 320.345 1.353 20 50 DDGDRM N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)NCCc1ccccc1 ZINC000833064937 601444702 /nfs/dbraw/zinc/44/47/02/601444702.db2.gz YJEDSVNOAZUBCQ-RAXLEYEMSA-N -1 0 309.325 1.979 20 50 DDGDRM Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)CC(=O)[O-])c1C ZINC000832972560 602070800 /nfs/dbraw/zinc/07/08/00/602070800.db2.gz FCRGMGCGAXXLLN-JQWIXIFHSA-N -1 0 322.361 1.329 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)CCCc1ccccc1)NC(=O)[O-] ZINC000824672004 602834929 /nfs/dbraw/zinc/83/49/29/602834929.db2.gz PODDNBVMICHTIU-LLVKDONJSA-N -1 0 307.350 1.203 20 50 DDGDRM C[C@@H](CC(=O)NNc1c(F)c(F)nc(F)c1F)NC(=O)[O-] ZINC000824678650 603225248 /nfs/dbraw/zinc/22/52/48/603225248.db2.gz DMSVZLQCHSGZNG-VKHMYHEASA-N -1 0 310.207 1.127 20 50 DDGDRM O=C([O-])NNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000832748080 603533997 /nfs/dbraw/zinc/53/39/97/603533997.db2.gz DMQUMFUHRGMABB-ZETCQYMHSA-N -1 0 300.265 1.025 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cc1 ZINC000827577457 603816015 /nfs/dbraw/zinc/81/60/15/603816015.db2.gz NAHWSARTKDEQGI-OAHLLOKOSA-N -1 0 323.324 1.102 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000830026080 603835251 /nfs/dbraw/zinc/83/52/51/603835251.db2.gz WBAMZIUAQASYNA-MNOVXSKESA-N -1 0 322.369 1.156 20 50 DDGDRM Cc1ccc(NNC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])nn1 ZINC000830396089 603870932 /nfs/dbraw/zinc/87/09/32/603870932.db2.gz TYOMTLVEQQNPHO-WDEREUQCSA-N -1 0 322.369 1.238 20 50 DDGDRM C[C@@H]1CC/C(=C/C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC000825865944 603921045 /nfs/dbraw/zinc/92/10/45/603921045.db2.gz MIICCGAFXWZVJV-QLWWJYNRSA-N -1 0 324.381 1.206 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000823754393 603953664 /nfs/dbraw/zinc/95/36/64/603953664.db2.gz JUERBFDBXHZFLY-WDEREUQCSA-N -1 0 313.398 1.787 20 50 DDGDRM O=C([O-])N1CC[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831742663 604037318 /nfs/dbraw/zinc/03/73/18/604037318.db2.gz NCPBSCUVJRLLFP-LURJTMIESA-N -1 0 318.255 1.482 20 50 DDGDRM COCCO[C@@H](C)C(=O)NN=C(C)[C@H]1CCCCN1C(=O)[O-] ZINC000828996857 604088587 /nfs/dbraw/zinc/08/85/87/604088587.db2.gz YAGFDFPKMPEIMU-NWDGAFQWSA-N -1 0 315.370 1.063 20 50 DDGDRM CC(C)[C@H](CNC(=O)NNc1cccc(F)c1F)NC(=O)[O-] ZINC000824121930 604140590 /nfs/dbraw/zinc/14/05/90/604140590.db2.gz BLQDQKIHGIDIJS-JTQLQIEISA-N -1 0 316.308 1.883 20 50 DDGDRM CC(C)(CNC(=O)NN=c1nc[nH]c2ccsc21)NC(=O)[O-] ZINC000823941038 604279718 /nfs/dbraw/zinc/27/97/18/604279718.db2.gz AYEGVWPYBDOYBT-UHFFFAOYSA-N -1 0 324.366 1.364 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000830559181 604495353 /nfs/dbraw/zinc/49/53/53/604495353.db2.gz IDVSYKMJOUPUFZ-CYBMUJFWSA-N -1 0 321.377 1.367 20 50 DDGDRM C[C@H](OC[C@@H]1CCCCO1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833535443 604802932 /nfs/dbraw/zinc/80/29/32/604802932.db2.gz JCGUEPNZOINCGP-JQWIXIFHSA-N -1 0 323.349 1.197 20 50 DDGDRM CN(CC(=O)NNc1ccc(F)cc1Br)C(=O)[O-] ZINC000833692139 604935710 /nfs/dbraw/zinc/93/57/10/604935710.db2.gz MDOVFHXIDNCBGB-UHFFFAOYSA-N -1 0 320.118 1.641 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1cccc2ncccc21)c1cccnc1 ZINC000833149051 605000977 /nfs/dbraw/zinc/00/09/77/605000977.db2.gz YQVKTIOWFRTPCQ-OAHLLOKOSA-N -1 0 322.324 1.690 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(Cl)nc1 ZINC000833408511 605040252 /nfs/dbraw/zinc/04/02/52/605040252.db2.gz ZHIYIZUCLPXJSC-VIFPVBQESA-N -1 0 320.736 1.946 20 50 DDGDRM CC(C)Cn1cc(C(=O)NNc2cccc(C(=O)[O-])c2)cn1 ZINC000833494335 605130658 /nfs/dbraw/zinc/13/06/58/605130658.db2.gz OGCAZUUVDWIGFU-UHFFFAOYSA-N -1 0 302.334 1.994 20 50 DDGDRM Cc1nn(C)cc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833756131 605244975 /nfs/dbraw/zinc/24/49/75/605244975.db2.gz ADCICJISTSAFSJ-UHFFFAOYSA-N -1 0 308.725 1.837 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000830225177 605297317 /nfs/dbraw/zinc/29/73/17/605297317.db2.gz HMKXABATJQCYOH-GFCCVEGCSA-N -1 0 319.361 1.454 20 50 DDGDRM O=C([O-])N1CCO[C@@H](CC(=O)NNc2c(F)cccc2F)C1 ZINC000831388635 605350480 /nfs/dbraw/zinc/35/04/80/605350480.db2.gz XDSZHESRBGMGPV-QMMMGPOBSA-N -1 0 315.276 1.177 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)Nc1cc(Cl)ccc1Cl ZINC000834205263 605406800 /nfs/dbraw/zinc/40/68/00/605406800.db2.gz VHTVRIAAXRNIMN-UHFFFAOYSA-N -1 0 321.120 1.414 20 50 DDGDRM O=C([O-])NC1CCC(C(=O)NN=c2[nH]c3ccccc3[nH]2)CC1 ZINC000834170838 605508466 /nfs/dbraw/zinc/50/84/66/605508466.db2.gz RLKBGLYXJXNVGJ-UHFFFAOYSA-N -1 0 317.349 1.832 20 50 DDGDRM CCN(CC)c1cc[nH]c(=NNC(=O)CC(C)(C)CC(=O)[O-])n1 ZINC000833654399 605718733 /nfs/dbraw/zinc/71/87/33/605718733.db2.gz OBLCQHUTZCRRGN-UHFFFAOYSA-N -1 0 323.397 1.657 20 50 DDGDRM N#Cc1ccc(NNC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000833976846 605719085 /nfs/dbraw/zinc/71/90/85/605719085.db2.gz YXLQNSYMHMKWTH-UHFFFAOYSA-N -1 0 302.334 1.828 20 50 DDGDRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000834048860 605741700 /nfs/dbraw/zinc/74/17/00/605741700.db2.gz UPHVWKSHBHZTGB-XVKPBYJWSA-N -1 0 317.704 1.035 20 50 DDGDRM CC(C)OC(=O)[C@H](C)CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833504796 605743043 /nfs/dbraw/zinc/74/30/43/605743043.db2.gz PCUZWEBHVLRBGY-SNVBAGLBSA-N -1 0 323.349 1.599 20 50 DDGDRM CC(C)N1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CC1=O ZINC000833500899 605743118 /nfs/dbraw/zinc/74/31/18/605743118.db2.gz PDLHKSLYDHWOHR-LBPRGKRZSA-N -1 0 320.349 1.020 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cccc(Cl)c1F ZINC000834228396 605795571 /nfs/dbraw/zinc/79/55/71/605795571.db2.gz GFRGOWNTQWZJOA-UHFFFAOYSA-N -1 0 301.705 1.977 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(Cl)c(F)c1 ZINC000834228808 605797812 /nfs/dbraw/zinc/79/78/12/605797812.db2.gz RMLWUFHMDBIEDP-UHFFFAOYSA-N -1 0 301.705 1.977 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)c2cccnc2)c1 ZINC000834267287 605802691 /nfs/dbraw/zinc/80/26/91/605802691.db2.gz VSYSEOPPXXPZGS-UHFFFAOYSA-N -1 0 314.301 1.175 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000834228131 605843045 /nfs/dbraw/zinc/84/30/45/605843045.db2.gz BJQIISPEIOXVNV-UHFFFAOYSA-N -1 0 319.239 1.124 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1CC(c2cccc(F)c2)C1 ZINC000834243385 605889806 /nfs/dbraw/zinc/88/98/06/605889806.db2.gz MFXYUGHHDMNOJM-UHFFFAOYSA-N -1 0 308.313 1.626 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cccc(C(F)F)c1 ZINC000834229646 605976017 /nfs/dbraw/zinc/97/60/17/605976017.db2.gz CKXSQCPWNYTMSB-UHFFFAOYSA-N -1 0 315.276 1.433 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cc(F)cc(Cl)c1 ZINC000834231333 605976664 /nfs/dbraw/zinc/97/66/64/605976664.db2.gz KKZOPQPMCPHVTO-UHFFFAOYSA-N -1 0 317.704 1.288 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000827304759 602101396 /nfs/dbraw/zinc/10/13/96/602101396.db2.gz ZSEXIMJUQOQTSH-LURJTMIESA-N -1 0 301.686 1.802 20 50 DDGDRM Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832926679 602266549 /nfs/dbraw/zinc/26/65/49/602266549.db2.gz ZIVVRKLFYPIZGN-SNVBAGLBSA-N -1 0 309.391 1.732 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)NCC2CC2)cc1NC(=O)[O-] ZINC000830225415 603415233 /nfs/dbraw/zinc/41/52/33/603415233.db2.gz NGBOHXOTVOUACR-UHFFFAOYSA-N -1 0 306.322 1.439 20 50 DDGDRM C[C@@H](CC(=O)NNc1ccc(Br)nc1)NC(=O)[O-] ZINC000824678868 603614285 /nfs/dbraw/zinc/61/42/85/603614285.db2.gz FKTRGGMSEYXOSL-LURJTMIESA-N -1 0 317.143 1.333 20 50 DDGDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NNC(=O)CC(C)(C)C ZINC000824196722 603664639 /nfs/dbraw/zinc/66/46/39/603664639.db2.gz MSYVNWAKVAYJFY-SNVBAGLBSA-N -1 0 316.402 1.435 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000830026079 603834738 /nfs/dbraw/zinc/83/47/38/603834738.db2.gz WBAMZIUAQASYNA-GHMZBOCLSA-N -1 0 322.369 1.156 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)cc1 ZINC000827576739 603862658 /nfs/dbraw/zinc/86/26/58/603862658.db2.gz HLONYYCMSMLLJU-MRXNPFEDSA-N -1 0 319.361 1.400 20 50 DDGDRM C[C@]1(C(=O)NNC(=O)CCc2ccccc2)CCN(C(=O)[O-])C1 ZINC000825673272 603905240 /nfs/dbraw/zinc/90/52/40/603905240.db2.gz OMDYAQNGDFORIR-INIZCTEOSA-N -1 0 319.361 1.157 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2ccc(Cl)nc2)C1 ZINC000831907867 603942569 /nfs/dbraw/zinc/94/25/69/603942569.db2.gz JGULMCLTWGWALD-NSHDSACASA-N -1 0 302.693 1.270 20 50 DDGDRM CN(CCCNC(=O)NNc1cccc(F)c1F)C(=O)[O-] ZINC000828294047 603998988 /nfs/dbraw/zinc/99/89/88/603998988.db2.gz ULRIDPKSLSIZAW-UHFFFAOYSA-N -1 0 302.281 1.591 20 50 DDGDRM CN(CCCC(=O)NNc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000828285016 604006959 /nfs/dbraw/zinc/00/69/59/604006959.db2.gz JLDWDQOXBFFJDE-UHFFFAOYSA-N -1 0 305.256 1.937 20 50 DDGDRM O=C([O-])N1CC[C@@H](NC(=O)NNc2cccc(F)c2F)C1 ZINC000831742354 604125446 /nfs/dbraw/zinc/12/54/46/604125446.db2.gz BVMYVQLIYVFXKZ-SSDOTTSWSA-N -1 0 300.265 1.343 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)C1(NC(=O)[O-])CCCC1 ZINC000830558439 604496961 /nfs/dbraw/zinc/49/69/61/604496961.db2.gz AYQKHWHNOSHJJP-UHFFFAOYSA-N -1 0 319.361 1.265 20 50 DDGDRM CCOc1ccc(CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833664467 604803755 /nfs/dbraw/zinc/80/37/55/604803755.db2.gz SYUUWGKBCIRDBM-UHFFFAOYSA-N -1 0 315.329 1.864 20 50 DDGDRM Cc1cccc(OCC(=O)NN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000832972064 604987976 /nfs/dbraw/zinc/98/79/76/604987976.db2.gz HYPWOMMYRFOUSR-OAHLLOKOSA-N -1 0 315.329 1.216 20 50 DDGDRM O=C([O-])NNC(=O)Cc1cc(Cl)ccc1Br ZINC000832748917 605360225 /nfs/dbraw/zinc/36/02/25/605360225.db2.gz WEHMTUODVSGZEU-UHFFFAOYSA-N -1 0 307.531 1.944 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833384436 605586534 /nfs/dbraw/zinc/58/65/34/605586534.db2.gz JFQRUJFUOAKMCX-UHFFFAOYSA-N -1 0 303.240 1.813 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1cccc(OC(F)F)c1 ZINC000833384312 605589251 /nfs/dbraw/zinc/58/92/51/605589251.db2.gz HBFPOCNCPHTTPZ-UHFFFAOYSA-N -1 0 301.249 1.396 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-] ZINC000824372705 605674516 /nfs/dbraw/zinc/67/45/16/605674516.db2.gz BITMKMCXFVEHOP-LBPRGKRZSA-N -1 0 320.349 1.003 20 50 DDGDRM Cn1cc(C(=O)NN=C2CCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000833943039 605724741 /nfs/dbraw/zinc/72/47/41/605724741.db2.gz FOUJJLAHFPUFHT-AAEUAGOBSA-N -1 0 319.365 1.448 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccc[nH]1 ZINC000834046147 605741110 /nfs/dbraw/zinc/74/11/10/605741110.db2.gz YEJOVAYSXCZQDA-GWCFXTLKSA-N -1 0 320.349 1.279 20 50 DDGDRM N#CC1=CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000833963242 605786823 /nfs/dbraw/zinc/78/68/23/605786823.db2.gz JUTQULPASHQNOJ-AGUYFDCRSA-N -1 0 303.362 1.980 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)N[C@H]1CCCc2occc21 ZINC000834230908 605810173 /nfs/dbraw/zinc/81/01/73/605810173.db2.gz DTOYGFDRQFIETI-JTQLQIEISA-N -1 0 324.337 1.035 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)CCc2ccccc2O)CC1 ZINC000833998780 605991778 /nfs/dbraw/zinc/99/17/78/605991778.db2.gz CRRXADYGHZSGMO-UHFFFAOYSA-N -1 0 319.361 1.961 20 50 DDGDRM CC(C)[C@@H](C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824192892 608580718 /nfs/dbraw/zinc/58/07/18/608580718.db2.gz OFLIYCOFWDAAIO-SSDOTTSWSA-N -1 0 309.761 1.650 20 50 DDGDRM Cc1ccc(NC(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000832948387 600815020 /nfs/dbraw/zinc/81/50/20/600815020.db2.gz JZWGCOAASYQIMY-YUMQZZPRSA-N -1 0 311.725 1.522 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)NCC2(C(=O)[O-])CCCC2)n1 ZINC000832880234 601426172 /nfs/dbraw/zinc/42/61/72/601426172.db2.gz LMADYWYDGDZRQI-UHFFFAOYSA-N -1 0 307.354 1.365 20 50 DDGDRM N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833061679 601460187 /nfs/dbraw/zinc/46/01/87/601460187.db2.gz FIMBSVZRPJDCBO-TYBUVKLMSA-N -1 0 317.301 1.635 20 50 DDGDRM CC(C)n1cnnc1-c1ccccc1NC(=O)NNC(=O)[O-] ZINC000827192840 601488249 /nfs/dbraw/zinc/48/82/49/601488249.db2.gz LXBDHRUFRJKSDC-UHFFFAOYSA-N -1 0 304.310 1.830 20 50 DDGDRM N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833061519 601573219 /nfs/dbraw/zinc/57/32/19/601573219.db2.gz CPLNSOFOELQPKI-AKFCNNOESA-N -1 0 317.301 1.635 20 50 DDGDRM CC[C@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)[O-] ZINC000828906747 601752317 /nfs/dbraw/zinc/75/23/17/601752317.db2.gz LENBYRNPWCHJBZ-PTJCHJMSSA-N -1 0 300.318 1.092 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)NC(=O)[O-] ZINC000824671467 603357218 /nfs/dbraw/zinc/35/72/18/603357218.db2.gz HOXOBYTYEDOYSC-JTQLQIEISA-N -1 0 315.329 1.647 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000824372749 603427955 /nfs/dbraw/zinc/42/79/55/603427955.db2.gz CQLLDFCCCRQRIL-PWSUYJOCSA-N -1 0 322.365 1.370 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNc1cnccn1)Cc1ccccc1 ZINC000832105535 603622123 /nfs/dbraw/zinc/62/21/23/603622123.db2.gz OICLRTZTODTYMG-LBPRGKRZSA-N -1 0 315.333 1.189 20 50 DDGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)NCC3CC3)c21 ZINC000831634431 603821192 /nfs/dbraw/zinc/82/11/92/603821192.db2.gz LRVNSXYJHFCGEY-UHFFFAOYSA-N -1 0 302.334 1.770 20 50 DDGDRM CC(C)CC(=O)NNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000824170098 603860624 /nfs/dbraw/zinc/86/06/24/603860624.db2.gz FDTWEFYSEKXPGQ-QWRGUYRKSA-N -1 0 314.386 1.189 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)cc1 ZINC000827576737 603862958 /nfs/dbraw/zinc/86/29/58/603862958.db2.gz HLONYYCMSMLLJU-INIZCTEOSA-N -1 0 319.361 1.400 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNC(=O)c1ccoc1 ZINC000832357232 603972657 /nfs/dbraw/zinc/97/26/57/603972657.db2.gz GSRDXBRBNFQGLP-NEPJUHHUSA-N -1 0 323.349 1.647 20 50 DDGDRM COCCCC(C)=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000828944955 604304960 /nfs/dbraw/zinc/30/49/60/604304960.db2.gz LBIDJVJNLLHZRI-UHFFFAOYSA-N -1 0 300.359 1.231 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NN=c1nc[nH]c2ccsc21 ZINC000832343173 605127381 /nfs/dbraw/zinc/12/73/81/605127381.db2.gz YOSRCWVMCAOFQK-YUMQZZPRSA-N -1 0 321.362 1.571 20 50 DDGDRM CC1(C)OCC(C)(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CO1 ZINC000833562026 605215457 /nfs/dbraw/zinc/21/54/57/605215457.db2.gz DRTZOVBZAVPOLE-UHFFFAOYSA-N -1 0 309.322 1.012 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1ccc(Cl)nc1 ZINC000834133722 605317256 /nfs/dbraw/zinc/31/72/56/605317256.db2.gz BDHNCXYAAIOMIB-LURJTMIESA-N -1 0 308.672 1.470 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000834201723 605454710 /nfs/dbraw/zinc/45/47/10/605454710.db2.gz NQPFIEVSRDFIBO-UHFFFAOYSA-N -1 0 323.324 1.053 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NN=c1[nH]c2ccccc2[nH]1 ZINC000834136135 605508589 /nfs/dbraw/zinc/50/85/89/605508589.db2.gz QJPRXJIZKYDMAV-QMMMGPOBSA-N -1 0 313.264 1.297 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000824233505 605522488 /nfs/dbraw/zinc/52/24/88/605522488.db2.gz ZFKWPCCDNGVSMG-WDEREUQCSA-N -1 0 314.386 1.284 20 50 DDGDRM N#Cc1ccc(OC2CCC(NC(=O)NNC(=O)[O-])CC2)nc1 ZINC000833975784 605542976 /nfs/dbraw/zinc/54/29/76/605542976.db2.gz FLFYCLWZPQTFJT-UHFFFAOYSA-N -1 0 319.321 1.125 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1nc2cc(Cl)ccc2n1C ZINC000833384123 605589167 /nfs/dbraw/zinc/58/91/67/605589167.db2.gz CKQMVRQFAXNEAR-UHFFFAOYSA-N -1 0 323.740 1.335 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)COCc1ccccc1 ZINC000833802537 605624891 /nfs/dbraw/zinc/62/48/91/605624891.db2.gz RXHCHQYBNOFRED-LLVKDONJSA-N -1 0 307.350 1.742 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1oc(C(C)C)nc1C#N ZINC000824299507 605674340 /nfs/dbraw/zinc/67/43/40/605674340.db2.gz OWGHSRMSVXLTCN-VIFPVBQESA-N -1 0 323.353 1.795 20 50 DDGDRM O=C([O-])N1[C@H](C(=O)NNc2ncc(F)cn2)C[C@@H]2CCCC[C@@H]21 ZINC000834048489 605692562 /nfs/dbraw/zinc/69/25/62/605692562.db2.gz LYXOHLVWFAFSRX-LSJOCFKGSA-N -1 0 323.328 1.370 20 50 DDGDRM COc1ccccc1[C@H](NC(=O)NNC(=O)[O-])c1ccco1 ZINC000829604343 605723641 /nfs/dbraw/zinc/72/36/41/605723641.db2.gz OVMHNTBHMMPVPL-LBPRGKRZSA-N -1 0 305.290 1.859 20 50 DDGDRM CC1=C(C(=O)NNc2ccccc2C(=O)[O-])C(=O)OC1(C)C ZINC000833575419 605724169 /nfs/dbraw/zinc/72/41/69/605724169.db2.gz APROBERPDNBALQ-UHFFFAOYSA-N -1 0 304.302 1.480 20 50 DDGDRM O=C([O-])c1cccc(NNC(=O)Cc2csc3nccn23)c1 ZINC000833765391 605733696 /nfs/dbraw/zinc/73/36/96/605733696.db2.gz LMSYPSSRVABNEN-UHFFFAOYSA-N -1 0 316.342 1.780 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccc(OC(F)F)cc2)CC1 ZINC000834152362 605737336 /nfs/dbraw/zinc/73/73/36/605737336.db2.gz ZCJIORIWHVCZBW-UHFFFAOYSA-N -1 0 301.249 1.531 20 50 DDGDRM CC(C)OC(=O)CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833502715 605739318 /nfs/dbraw/zinc/73/93/18/605739318.db2.gz RUSOJSSTGOYAIJ-UHFFFAOYSA-N -1 0 309.322 1.353 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(OC(F)F)cc1 ZINC000834226965 605749493 /nfs/dbraw/zinc/74/94/93/605749493.db2.gz FPIABTMIWOWRJG-UHFFFAOYSA-N -1 0 301.249 1.396 20 50 DDGDRM CC(=O)N[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000833395072 605773023 /nfs/dbraw/zinc/77/30/23/605773023.db2.gz KUKAZCXXBKJAPO-AWEZNQCLSA-N -1 0 319.361 1.523 20 50 DDGDRM CN(NC(=O)C[C@H]1CSCCN1C(=O)[O-])c1ccccc1 ZINC000828434681 605874060 /nfs/dbraw/zinc/87/40/60/605874060.db2.gz IXMQMSRLHBNPIZ-LBPRGKRZSA-N -1 0 309.391 1.640 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cc2ccsc2[nH]1 ZINC000834229989 605979285 /nfs/dbraw/zinc/97/92/85/605979285.db2.gz NALAYHTUQCTYLG-UHFFFAOYSA-N -1 0 310.335 1.038 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000834228230 606083730 /nfs/dbraw/zinc/08/37/30/606083730.db2.gz BHQAGQSESBTVCS-AWEZNQCLSA-N -1 0 319.361 1.375 20 50 DDGDRM CCOC(=O)C(C#N)=CNc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829818094 600669582 /nfs/dbraw/zinc/66/95/82/600669582.db2.gz PRSINNFDVVHKQK-CMDGGOBGSA-N -1 0 318.285 1.554 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccsc2)C1 ZINC000833119975 600955425 /nfs/dbraw/zinc/95/54/25/600955425.db2.gz KNPGLFVXGFNUCQ-QWRGUYRKSA-N -1 0 310.375 1.329 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000828309317 602071606 /nfs/dbraw/zinc/07/16/06/602071606.db2.gz BMADZTWIVAEWQN-IUCAKERBSA-N -1 0 324.402 1.745 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000824233471 602830321 /nfs/dbraw/zinc/83/03/21/602830321.db2.gz YEJAVGTYFUIPIH-CYBMUJFWSA-N -1 0 321.377 1.621 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccc2ccccc2n1)NC(=O)[O-] ZINC000824671724 603210037 /nfs/dbraw/zinc/21/00/37/603210037.db2.gz KOXSQVKKKADDSR-SECBINFHSA-N -1 0 316.317 1.042 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNc2ccc(F)c(F)c2F)C1 ZINC000832277799 603558727 /nfs/dbraw/zinc/55/87/27/603558727.db2.gz KYUGHNHJGWGFAA-BQBZGAKWSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])NCC1(C(=O)NNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000832443164 603614838 /nfs/dbraw/zinc/61/48/38/603614838.db2.gz RDCIVJMKXMMUOM-UHFFFAOYSA-N -1 0 322.321 1.866 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2cnnc3ccccc32)C1 ZINC000832280364 603620638 /nfs/dbraw/zinc/62/06/38/603620638.db2.gz UXSQZPIFIFUURG-VHSXEESVSA-N -1 0 315.333 1.509 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C[C@H]1CCOc2ccccc21 ZINC000832652672 603727688 /nfs/dbraw/zinc/72/76/88/603727688.db2.gz JBEGDDALBVDTTG-SNVBAGLBSA-N -1 0 306.322 1.105 20 50 DDGDRM CCOC(=O)c1sc([C@@H](C)NC(=O)NNC(=O)[O-])nc1C ZINC000827357039 603777288 /nfs/dbraw/zinc/77/72/88/603777288.db2.gz VFFNJVFCRQNFFX-ZCFIWIBFSA-N -1 0 316.339 1.171 20 50 DDGDRM C[C@H]1CC/C(=C/C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC000825865945 603920902 /nfs/dbraw/zinc/92/09/02/603920902.db2.gz MIICCGAFXWZVJV-RGAIUGGKSA-N -1 0 324.381 1.206 20 50 DDGDRM O=C([O-])NCCC(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000832599487 604103798 /nfs/dbraw/zinc/10/37/98/604103798.db2.gz PWODIZDUSLIYMI-UHFFFAOYSA-N -1 0 301.306 1.244 20 50 DDGDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1 ZINC000825229957 604278234 /nfs/dbraw/zinc/27/82/34/604278234.db2.gz XIMPSLYKEMUQNX-VHSXEESVSA-N -1 0 314.386 1.141 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1F ZINC000833095399 604813486 /nfs/dbraw/zinc/81/34/86/604813486.db2.gz NSHNLZOAYSRCAM-UHFFFAOYSA-N -1 0 308.187 1.237 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1c[nH]c2ccccc12)c1cccnc1 ZINC000833149157 604988438 /nfs/dbraw/zinc/98/84/38/604988438.db2.gz GSTOUNWRSBYCGL-AWEZNQCLSA-N -1 0 310.313 1.623 20 50 DDGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000824135249 605124654 /nfs/dbraw/zinc/12/46/54/605124654.db2.gz DIGUDYIIHILRBK-QMMMGPOBSA-N -1 0 309.351 1.427 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NN=c1nc[nH]c2ccsc21 ZINC000831742881 605126053 /nfs/dbraw/zinc/12/60/53/605126053.db2.gz UOZDETJXIBINTJ-MRVPVSSYSA-N -1 0 307.335 1.277 20 50 DDGDRM O=C([O-])N1CCCC[C@H]1C(=O)NN=c1nc[nH]c2ccsc21 ZINC000831742701 605126251 /nfs/dbraw/zinc/12/62/51/605126251.db2.gz NRMFNQXVFIKHLI-VIFPVBQESA-N -1 0 321.362 1.667 20 50 DDGDRM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NNc1ccccn1 ZINC000834047517 605323737 /nfs/dbraw/zinc/32/37/37/605323737.db2.gz GSVJKGOVHNJVOS-UTUOFQBUSA-N -1 0 304.350 1.836 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NN=c1cc(Cl)cc[nH]1 ZINC000834134276 605477292 /nfs/dbraw/zinc/47/72/92/605477292.db2.gz GSFHFYUJNATVNP-ZCFIWIBFSA-N -1 0 308.672 1.470 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)N[C@@H]1CCCCc2ccccc21 ZINC000834202511 605511922 /nfs/dbraw/zinc/51/19/22/605511922.db2.gz VOMUNBQTUPUHBJ-GFCCVEGCSA-N -1 0 320.349 1.052 20 50 DDGDRM CCCOc1cc(C=NNC(=O)NCC(=O)[O-])ccc1OC ZINC000833652148 605591946 /nfs/dbraw/zinc/59/19/46/605591946.db2.gz MNGVAUZJAXERJG-UHFFFAOYSA-N -1 0 309.322 1.202 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000834007570 605714049 /nfs/dbraw/zinc/71/40/49/605714049.db2.gz WDNKJZSFMVKQJY-UHFFFAOYSA-N -1 0 308.294 1.428 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1C(=O)NNc1cccc2c1CCCC2 ZINC000834048160 605735252 /nfs/dbraw/zinc/73/52/52/605735252.db2.gz JTLAUTBCFOCQDP-CQSZACIVSA-N -1 0 319.361 1.387 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NNc1cccc(F)c1F ZINC000834048679 605739558 /nfs/dbraw/zinc/73/95/58/605739558.db2.gz QQPBDHGPZONAHL-MRVPVSSYSA-N -1 0 303.290 1.461 20 50 DDGDRM Cn1cccc1C(=O)NN=C1C[C@@H](NC(=O)[O-])c2ccccc21 ZINC000833951899 605740254 /nfs/dbraw/zinc/74/02/54/605740254.db2.gz DAEOEKSQRUVPPW-GFCCVEGCSA-N -1 0 312.329 1.872 20 50 DDGDRM CC(C)(NC(=O)[O-])C(=O)OCCCI ZINC000833460996 605815593 /nfs/dbraw/zinc/81/55/93/605815593.db2.gz IWNHXEUWZGQJEK-UHFFFAOYSA-N -1 0 315.107 1.401 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)CCOc1ccccc1 ZINC000834170039 605859300 /nfs/dbraw/zinc/85/93/00/605859300.db2.gz PRYLSZJEGGZZCG-LBPRGKRZSA-N -1 0 305.334 1.748 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834046163 606044196 /nfs/dbraw/zinc/04/41/96/606044196.db2.gz YHFREYXGSMHPBA-JTQLQIEISA-N -1 0 320.305 1.700 20 50 DDGDRM C[C@@H](CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CC1 ZINC000824384483 608576874 /nfs/dbraw/zinc/57/68/74/608576874.db2.gz COROXMUWVXXFNY-ZETCQYMHSA-N -1 0 321.772 1.794 20 50 DDGDRM CC(C)[C@H](C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824192893 608580872 /nfs/dbraw/zinc/58/08/72/608580872.db2.gz OFLIYCOFWDAAIO-ZETCQYMHSA-N -1 0 309.761 1.650 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1 ZINC000833102172 600919460 /nfs/dbraw/zinc/91/94/60/600919460.db2.gz FEACXYPCLPEADQ-UONOGXRCSA-N -1 0 318.373 1.658 20 50 DDGDRM N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833061520 601573342 /nfs/dbraw/zinc/57/33/42/601573342.db2.gz CPLNSOFOELQPKI-FGFBTAOXSA-N -1 0 317.301 1.635 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832977283 602056484 /nfs/dbraw/zinc/05/64/84/602056484.db2.gz HHPIUFBHASWPBD-KBPBESRZSA-N -1 0 318.373 1.576 20 50 DDGDRM C[C@H](C(=O)NNC(=O)C(C)(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701153 603338201 /nfs/dbraw/zinc/33/82/01/603338201.db2.gz AHXHJAUGUILTQA-JQWIXIFHSA-N -1 0 321.377 1.825 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000824231240 603740102 /nfs/dbraw/zinc/74/01/02/603740102.db2.gz FNSJUHVELNBMJS-MWLCHTKSSA-N -1 0 315.370 1.073 20 50 DDGDRM Cc1ccc(NNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])nn1 ZINC000830396086 603870888 /nfs/dbraw/zinc/87/08/88/603870888.db2.gz TYOMTLVEQQNPHO-GHMZBOCLSA-N -1 0 322.369 1.238 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)o1 ZINC000824482720 603901364 /nfs/dbraw/zinc/90/13/64/603901364.db2.gz QHHAEJPPVNVUPO-AWEZNQCLSA-N -1 0 321.337 1.503 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 ZINC000832356111 603938149 /nfs/dbraw/zinc/93/81/49/603938149.db2.gz BELMRWGQUBEOFC-MNOVXSKESA-N -1 0 322.365 1.382 20 50 DDGDRM CCC[C@H](NC(=O)[O-])C(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000826759007 604004508 /nfs/dbraw/zinc/00/45/08/604004508.db2.gz UWUKYZPVSWIBGG-JTQLQIEISA-N -1 0 319.321 1.215 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NN=c2[nH]ccc3sccc32)C1 ZINC000831366276 604064000 /nfs/dbraw/zinc/06/40/00/604064000.db2.gz FYGPNWSDJOKRPS-UHFFFAOYSA-N -1 0 306.347 1.739 20 50 DDGDRM CC(C)NC(=O)NNC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824373440 604321388 /nfs/dbraw/zinc/32/13/88/604321388.db2.gz KVVJARPXFLGVQD-GHMZBOCLSA-N -1 0 314.386 1.141 20 50 DDGDRM O=C([O-])N1CC(NS(=O)(=O)c2ccc(CCCl)cc2)C1 ZINC000831852341 604415125 /nfs/dbraw/zinc/41/51/25/604415125.db2.gz NWTDKAATCDVOJY-UHFFFAOYSA-N -1 0 318.782 1.108 20 50 DDGDRM O=C([O-])NCCNC(=O)NNC(=O)c1ccc2sccc2c1 ZINC000832658603 604483467 /nfs/dbraw/zinc/48/34/67/604483467.db2.gz SUXIXZUKZODSQP-UHFFFAOYSA-N -1 0 322.346 1.113 20 50 DDGDRM C#Cc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)cn1 ZINC000833368299 604646807 /nfs/dbraw/zinc/64/68/07/604646807.db2.gz KCRRPHMPYVBQEL-UHFFFAOYSA-N -1 0 311.297 1.527 20 50 DDGDRM C#CCOc1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833366151 604799440 /nfs/dbraw/zinc/79/94/40/604799440.db2.gz ITLDZARKLHNBMV-UHFFFAOYSA-N -1 0 311.297 1.549 20 50 DDGDRM CCOCC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CCC2 ZINC000827389240 604826742 /nfs/dbraw/zinc/82/67/42/604826742.db2.gz SJNVZWJLRIEVOE-UHFFFAOYSA-N -1 0 305.334 1.604 20 50 DDGDRM COC(=O)NNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000831206664 604916041 /nfs/dbraw/zinc/91/60/41/604916041.db2.gz KUBJMZNMJMLCPY-UHFFFAOYSA-N -1 0 317.685 1.196 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000834048342 605321801 /nfs/dbraw/zinc/32/18/01/605321801.db2.gz OJQFUSNEBCIWHC-GFCCVEGCSA-N -1 0 316.317 1.057 20 50 DDGDRM O=C([O-])NNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000834250315 605373890 /nfs/dbraw/zinc/37/38/90/605373890.db2.gz GHIHCFHPIXJAKZ-NSHDSACASA-N -1 0 306.366 1.792 20 50 DDGDRM COc1ccc2ccccc2c1C=NNC(=O)CNC(=O)[O-] ZINC000833892762 605385727 /nfs/dbraw/zinc/38/57/27/605385727.db2.gz XRCSJKBERJXLAH-UHFFFAOYSA-N -1 0 301.302 1.566 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000824210815 605407146 /nfs/dbraw/zinc/40/71/46/605407146.db2.gz JRQVWGWDSZFTBJ-NSHDSACASA-N -1 0 310.310 1.720 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000833970939 605516324 /nfs/dbraw/zinc/51/63/24/605516324.db2.gz YODGFRKJSWVFOQ-DTWKUNHWSA-N -1 0 323.740 1.486 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N(C)CCN(C)C(=O)[O-] ZINC000833921870 605522155 /nfs/dbraw/zinc/52/21/55/605522155.db2.gz LJQOOUHXESXGFI-UHFFFAOYSA-N -1 0 316.789 1.421 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ncc(Br)s1 ZINC000833385007 605589823 /nfs/dbraw/zinc/58/98/23/605589823.db2.gz QVNGUZRYISIWNE-UHFFFAOYSA-N -1 0 321.156 1.013 20 50 DDGDRM N#Cc1ccc(NNC(=O)C[C@H]2CSCCN2C(=O)[O-])cc1 ZINC000833975716 605718959 /nfs/dbraw/zinc/71/89/59/605718959.db2.gz PGTNPYGVWOSDFX-LBPRGKRZSA-N -1 0 320.374 1.487 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)N1CCOCC1 ZINC000834045719 605722977 /nfs/dbraw/zinc/72/29/77/605722977.db2.gz SRPVEZUPRHDALY-DGCLKSJQSA-N -1 0 324.381 1.327 20 50 DDGDRM C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833537256 605735121 /nfs/dbraw/zinc/73/51/21/605735121.db2.gz ZEIRHJGUSLYWDV-GXFFZTMASA-N -1 0 308.334 1.412 20 50 DDGDRM COCCC1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833723214 605746966 /nfs/dbraw/zinc/74/69/66/605746966.db2.gz FTJRIFCVSJBAKT-UHFFFAOYSA-N -1 0 307.350 1.828 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(OC(F)F)c(F)c1 ZINC000834227639 605747856 /nfs/dbraw/zinc/74/78/56/605747856.db2.gz YFYUCHJMQBAMQL-UHFFFAOYSA-N -1 0 319.239 1.535 20 50 DDGDRM O=C([O-])NCCC(=O)OCCCI ZINC000834229190 605862700 /nfs/dbraw/zinc/86/27/00/605862700.db2.gz ZSKUOQFHIZASDI-UHFFFAOYSA-N -1 0 301.080 1.012 20 50 DDGDRM N#Cc1cccc(NNC(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)c1 ZINC000833976860 605962639 /nfs/dbraw/zinc/96/26/39/605962639.db2.gz RXQHYEAFUHTOQE-CYBMUJFWSA-N -1 0 314.345 1.781 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccco1 ZINC000826445890 608580174 /nfs/dbraw/zinc/58/01/74/608580174.db2.gz PMOQNRFHLVJBLG-UHFFFAOYSA-N -1 0 305.685 1.265 20 50 DDGDRM COCC(=O)NN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000831541306 601978308 /nfs/dbraw/zinc/97/83/08/601978308.db2.gz SFWZRNYGIHJVSK-JTQLQIEISA-N -1 0 307.133 1.386 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)NCCCCCC(=O)[O-] ZINC000832980993 602144419 /nfs/dbraw/zinc/14/44/19/602144419.db2.gz UCCPFGKRPCKUGM-UHFFFAOYSA-N -1 0 321.377 1.513 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc2ncccc21 ZINC000827303457 602152001 /nfs/dbraw/zinc/15/20/01/602152001.db2.gz FPKGSZHIPCZXGS-SECBINFHSA-N -1 0 301.302 1.107 20 50 DDGDRM COc1cc(C(=O)NNC(=O)[O-])cc(OC)c1OC(F)F ZINC000829088140 603216882 /nfs/dbraw/zinc/21/68/82/603216882.db2.gz VGBWKQJIPHIICW-UHFFFAOYSA-N -1 0 306.221 1.218 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000827576091 603431645 /nfs/dbraw/zinc/43/16/45/603431645.db2.gz BBVAWWWZXBIBLW-STQMWFEESA-N -1 0 319.361 1.446 20 50 DDGDRM O=C([O-])NNC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000832748077 603477964 /nfs/dbraw/zinc/47/79/64/603477964.db2.gz DKLUDZDRPUDJFL-UHFFFAOYSA-N -1 0 302.739 1.555 20 50 DDGDRM CC(=NNC(=O)NCCNC(=O)[O-])c1cc(F)cc(F)c1 ZINC000823527829 603486016 /nfs/dbraw/zinc/48/60/16/603486016.db2.gz NGIDFMHNZLFYNO-UHFFFAOYSA-N -1 0 300.265 1.256 20 50 DDGDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NNC(=O)OC(C)(C)C ZINC000826116005 603630376 /nfs/dbraw/zinc/63/03/76/603630376.db2.gz NSWHAKHYEVHRRD-JGVFFNPUSA-N -1 0 317.342 1.046 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2cccc(Cl)c2)C1 ZINC000831909266 603828536 /nfs/dbraw/zinc/82/85/36/603828536.db2.gz YADYITXOYFFDQH-LBPRGKRZSA-N -1 0 301.705 1.875 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NNC(=O)NC1CC1 ZINC000832360168 603965534 /nfs/dbraw/zinc/96/55/34/603965534.db2.gz PZULDSVUWFLSKW-GHMZBOCLSA-N -1 0 312.370 1.086 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NNc1cnnc2ccccc21 ZINC000831742924 604005116 /nfs/dbraw/zinc/00/51/16/604005116.db2.gz VZFMWVJXFXOQBU-LBPRGKRZSA-N -1 0 301.306 1.215 20 50 DDGDRM CN(CCCNC(=O)NNc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000828292481 604026956 /nfs/dbraw/zinc/02/69/56/604026956.db2.gz BHNXYCBYXFUQDH-UHFFFAOYSA-N -1 0 320.271 1.730 20 50 DDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)NC1CCCCC1 ZINC000832845685 604265961 /nfs/dbraw/zinc/26/59/61/604265961.db2.gz LAXUXJSCLXBQHQ-UHFFFAOYSA-N -1 0 322.365 1.606 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccoc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672186 604322095 /nfs/dbraw/zinc/32/20/95/604322095.db2.gz SODCEMXHGJMWDN-GHMZBOCLSA-N -1 0 323.349 1.457 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000830559338 604496971 /nfs/dbraw/zinc/49/69/71/604496971.db2.gz JKGPGYPTPQSTEN-INIZCTEOSA-N -1 0 319.361 1.075 20 50 DDGDRM CCc1nc(C)c(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)s1 ZINC000833673189 604801520 /nfs/dbraw/zinc/80/15/20/604801520.db2.gz HYLCTEZWVFKNKY-UHFFFAOYSA-N -1 0 306.347 1.864 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2ccc(C)c(NC(=O)[O-])c2)[nH]n1 ZINC000829962251 604930440 /nfs/dbraw/zinc/93/04/40/604930440.db2.gz YVNPBZGIXCGZMV-UHFFFAOYSA-N -1 0 317.305 1.191 20 50 DDGDRM CN(CC(=O)NNc1ccc(Br)cc1F)C(=O)[O-] ZINC000833692826 604937857 /nfs/dbraw/zinc/93/78/57/604937857.db2.gz XTZDVZGTCYHWID-UHFFFAOYSA-N -1 0 320.118 1.641 20 50 DDGDRM CSc1cnn(-c2ccccc2)c1NC(=O)NNC(=O)[O-] ZINC000832790859 604961268 /nfs/dbraw/zinc/96/12/68/604961268.db2.gz YNGWLLDQYJYQEX-UHFFFAOYSA-N -1 0 307.335 1.898 20 50 DDGDRM CC[C@H](NC(=O)[O-])C(=O)NNc1cccc(C(F)(F)F)n1 ZINC000827524537 605157013 /nfs/dbraw/zinc/15/70/13/605157013.db2.gz LQSCMCSPJZIBDO-LURJTMIESA-N -1 0 306.244 1.590 20 50 DDGDRM C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833535674 605260428 /nfs/dbraw/zinc/26/04/28/605260428.db2.gz LMHASEBAOAYUIO-WDEREUQCSA-N -1 0 308.334 1.412 20 50 DDGDRM C[C@H](CC(=O)NNc1cccnn1)C1CCN(C(=O)[O-])CC1 ZINC000824679874 605348617 /nfs/dbraw/zinc/34/86/17/605348617.db2.gz OUCHBJJUXMNZSA-SNVBAGLBSA-N -1 0 307.354 1.336 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000834203458 605449311 /nfs/dbraw/zinc/44/93/11/605449311.db2.gz QEQCAXMUIVJHMA-UHFFFAOYSA-N -1 0 324.095 1.161 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)C(=O)Nc1ccc(C)cc1 ZINC000833801830 605625037 /nfs/dbraw/zinc/62/50/37/605625037.db2.gz MLDCYFZUXDAKOL-SNVBAGLBSA-N -1 0 320.349 1.472 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-] ZINC000826926360 605670113 /nfs/dbraw/zinc/67/01/13/605670113.db2.gz WZHPPDJUBFKTDH-LBPRGKRZSA-N -1 0 320.349 1.004 20 50 DDGDRM O=C([O-])N1CCC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1 ZINC000834050580 605716193 /nfs/dbraw/zinc/71/61/93/605716193.db2.gz ZRGGPRLBWIZLLL-VIFPVBQESA-N -1 0 308.294 1.428 20 50 DDGDRM CC1(C)OCC(C)(C(=O)NNc2cccc(C(=O)[O-])c2)CO1 ZINC000833562098 605735635 /nfs/dbraw/zinc/73/56/35/605735635.db2.gz HIFFNASWGNDNFW-UHFFFAOYSA-N -1 0 308.334 1.617 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1c[nH]c2cc(Cl)ccc12 ZINC000834227336 605746900 /nfs/dbraw/zinc/74/69/00/605746900.db2.gz CFOHPEHPNFITPJ-UHFFFAOYSA-N -1 0 308.725 1.929 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1coc(-c2ccccc2)n1 ZINC000834227644 605750326 /nfs/dbraw/zinc/75/03/26/605750326.db2.gz YPJQYQGDIPWBMT-UHFFFAOYSA-N -1 0 302.290 1.449 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)CCc1ccc(Cl)cc1 ZINC000834227123 605842131 /nfs/dbraw/zinc/84/21/31/605842131.db2.gz KCZLNYUCLFUPQH-UHFFFAOYSA-N -1 0 313.741 1.078 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccnc(F)c1)c1ccccc1 ZINC000834003553 605873985 /nfs/dbraw/zinc/87/39/85/605873985.db2.gz HJOFBMKDZAAEPL-UHFFFAOYSA-N -1 0 304.281 1.848 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1cc(F)c(F)c(F)c1)C1CC1 ZINC000834001214 605987224 /nfs/dbraw/zinc/98/72/24/605987224.db2.gz HPPZOGDLTSMGEM-UHFFFAOYSA-N -1 0 303.240 1.689 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1cc(Cl)ccc1Cl ZINC000834243955 605987557 /nfs/dbraw/zinc/98/75/57/605987557.db2.gz XNBUKWCXUFXWEA-UHFFFAOYSA-N -1 0 319.148 1.894 20 50 DDGDRM CCC[C@H](C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825233082 608571075 /nfs/dbraw/zinc/57/10/75/608571075.db2.gz MXZDSYQLLQUXBA-ZETCQYMHSA-N -1 0 309.761 1.794 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccc2ccccc2n1)NC(=O)[O-] ZINC000824671725 603210024 /nfs/dbraw/zinc/21/00/24/603210024.db2.gz KOXSQVKKKADDSR-VIFPVBQESA-N -1 0 316.317 1.042 20 50 DDGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)c3ccncc3)c21 ZINC000831736509 603818626 /nfs/dbraw/zinc/81/86/26/603818626.db2.gz NRRGSTLDZSHZDC-UHFFFAOYSA-N -1 0 310.313 1.886 20 50 DDGDRM O=C([O-])NCCNC(=O)NNc1cc(Cl)ccc1Cl ZINC000832658225 603847004 /nfs/dbraw/zinc/84/70/04/603847004.db2.gz KFZCPXYRXYMLDG-UHFFFAOYSA-N -1 0 307.137 1.887 20 50 DDGDRM CCC[C@@H](NC(=O)[O-])C(=O)NNC(=O)Cc1ccccc1C ZINC000826759057 604496097 /nfs/dbraw/zinc/49/60/97/604496097.db2.gz WDKAGODBQOIQBI-GFCCVEGCSA-N -1 0 307.350 1.121 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)CCc2ccco2)cc1F ZINC000833103666 604817232 /nfs/dbraw/zinc/81/72/32/604817232.db2.gz ZVLKLWZVWVHRPY-UHFFFAOYSA-N -1 0 320.276 1.511 20 50 DDGDRM CC(C)(NC(=O)[O-])C(=O)NNc1ccccc1Br ZINC000833461899 604934515 /nfs/dbraw/zinc/93/45/15/604934515.db2.gz YLRFXZZBJYTHAC-UHFFFAOYSA-N -1 0 316.155 1.938 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1cc2c(s1)CCC2)c1cccnc1 ZINC000833149691 604988502 /nfs/dbraw/zinc/98/85/02/604988502.db2.gz YXAKJYBWIMNGHC-ZDUSSCGKSA-N -1 0 317.370 1.692 20 50 DDGDRM CC(C)[C@H](C(=O)NNc1ccccc1C(=O)[O-])N1CCCC1=O ZINC000833465243 605259917 /nfs/dbraw/zinc/25/99/17/605259917.db2.gz IWCQZFRNBIJFAP-CQSZACIVSA-N -1 0 319.361 1.475 20 50 DDGDRM O=C([O-])NCC(=O)NN=C(C[C@@H]1CCOC1)c1ccccc1 ZINC000834199843 605383648 /nfs/dbraw/zinc/38/36/48/605383648.db2.gz PPZGHQAWYZGJAY-NSHDSACASA-N -1 0 305.334 1.201 20 50 DDGDRM O=C([O-])NCC1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000832443294 605409911 /nfs/dbraw/zinc/40/99/11/605409911.db2.gz YMNAQEUVVAATKS-UHFFFAOYSA-N -1 0 322.321 1.866 20 50 DDGDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NNC(=O)c1ccccc1 ZINC000825831144 605503926 /nfs/dbraw/zinc/50/39/26/605503926.db2.gz KHMPXTONFLXGBI-JQWIXIFHSA-N -1 0 320.349 1.162 20 50 DDGDRM O=C([O-])N1CCC[C@H](NC(=O)NN=c2cc(Cl)cc[nH]2)C1 ZINC000834049215 605539522 /nfs/dbraw/zinc/53/95/22/605539522.db2.gz YKRGJDQOLCZMCE-VIFPVBQESA-N -1 0 313.745 1.504 20 50 DDGDRM Cc1cc(NNC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])ncn1 ZINC000830122757 605611783 /nfs/dbraw/zinc/61/17/83/605611783.db2.gz PCYUTCUEGMJRIF-RYUDHWBXSA-N -1 0 321.381 1.835 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)CCc1ccccc1O ZINC000833801460 605625055 /nfs/dbraw/zinc/62/50/55/605625055.db2.gz JTGJTGYJUCAFHH-JTQLQIEISA-N -1 0 307.350 1.863 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000834174124 605740189 /nfs/dbraw/zinc/74/01/89/605740189.db2.gz UPQWULFLODTORH-OIBJUYFYSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)NCC1CC1 ZINC000834027802 605743055 /nfs/dbraw/zinc/74/30/55/605743055.db2.gz WLSMZPSRNTZUMF-AAEUAGOBSA-N -1 0 324.381 1.231 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1c[nH]nc1-c1cccs1 ZINC000834228982 605800292 /nfs/dbraw/zinc/80/02/92/605800292.db2.gz WGSGEJYWAFPKGM-UHFFFAOYSA-N -1 0 321.362 1.636 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000834228625 605977133 /nfs/dbraw/zinc/97/71/33/605977133.db2.gz MNAVBENJTJSVPH-UHFFFAOYSA-N -1 0 323.324 1.053 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccc(F)c(F)c1F)C1CC1 ZINC000834000918 605986950 /nfs/dbraw/zinc/98/69/50/605986950.db2.gz BOJVNDBRAJDFQZ-UHFFFAOYSA-N -1 0 303.240 1.689 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)COc2ccccc2F)C1 ZINC000834010222 606046140 /nfs/dbraw/zinc/04/61/40/606046140.db2.gz LFDXGXXQNUNXTL-NSHDSACASA-N -1 0 323.324 1.697 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000831972838 601108224 /nfs/dbraw/zinc/10/82/24/601108224.db2.gz RUBWAVNYMQMOEY-ZJUUUORDSA-N -1 0 308.338 1.128 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)CNc2ccccc2)C1 ZINC000833111122 601208932 /nfs/dbraw/zinc/20/89/32/601208932.db2.gz CYQCMPHFURXNLU-VXGBXAGGSA-N -1 0 319.361 1.137 20 50 DDGDRM Cn1cc(-c2nc3ccccn3c2NC(=O)NNC(=O)[O-])cn1 ZINC000833041806 601760343 /nfs/dbraw/zinc/76/03/43/601760343.db2.gz WLWAUJIUSITDAT-UHFFFAOYSA-N -1 0 315.293 1.039 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)CCCc1cccs1)NC(=O)[O-] ZINC000824672274 602916285 /nfs/dbraw/zinc/91/62/85/602916285.db2.gz VITFSVKQTXXRBY-SECBINFHSA-N -1 0 313.379 1.264 20 50 DDGDRM COc1c(Br)c(C)sc1C(=O)NNC(=O)[O-] ZINC000829065832 603217975 /nfs/dbraw/zinc/21/79/75/603217975.db2.gz BGNASVQQSSLALJ-UHFFFAOYSA-N -1 0 309.141 1.740 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824170093 603287162 /nfs/dbraw/zinc/28/71/62/603287162.db2.gz FAZKIBALHIHZNT-SMDDNHRTSA-N -1 0 321.377 1.825 20 50 DDGDRM Cc1ccnc(NNC(=O)c2ccc(NC(=O)[O-])cc2O)c1 ZINC000830610778 603480497 /nfs/dbraw/zinc/48/04/97/603480497.db2.gz BQGXGYLINFWEOQ-UHFFFAOYSA-N -1 0 302.290 1.942 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2ccc(F)cc2F)C1 ZINC000831907371 603883365 /nfs/dbraw/zinc/88/33/65/603883365.db2.gz CKYSJHNWCYCDDL-LBPRGKRZSA-N -1 0 303.240 1.500 20 50 DDGDRM CCC[C@@H](NC(=O)[O-])C(=O)NNc1cc(Cl)nc(C)n1 ZINC000826757702 603918772 /nfs/dbraw/zinc/91/87/72/603918772.db2.gz HVIWGOPMBLUDHW-SSDOTTSWSA-N -1 0 301.734 1.318 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNc2cnnc3ccccc32)C1 ZINC000831366619 604064345 /nfs/dbraw/zinc/06/43/45/604064345.db2.gz QQYHZCIYWGTSBV-UHFFFAOYSA-N -1 0 301.306 1.073 20 50 DDGDRM CCN(CC)c1cc[nH]c(=NNC(=O)[C@H](C)CN(C)C(=O)[O-])n1 ZINC000827052816 604272692 /nfs/dbraw/zinc/27/26/92/604272692.db2.gz YMWYQZMWVQXJHI-SNVBAGLBSA-N -1 0 324.385 1.012 20 50 DDGDRM CN(C)c1nccc(=NNC(=O)c2ccc(C(=O)[O-])c(F)c2)[nH]1 ZINC000830651683 604282786 /nfs/dbraw/zinc/28/27/86/604282786.db2.gz ZGQNOHDFZDHIKD-UHFFFAOYSA-N -1 0 319.296 1.137 20 50 DDGDRM CC(C)n1nnnc1-c1ccc(NC(=O)NNC(=O)[O-])cc1F ZINC000833514469 605278747 /nfs/dbraw/zinc/27/87/47/605278747.db2.gz XZOLGZZNHVCQNK-UHFFFAOYSA-N -1 0 323.288 1.364 20 50 DDGDRM O=C([O-])N1CC[C@@H](C(=O)NN=c2ccc3ccccc3[nH]2)C1 ZINC000834046568 605321789 /nfs/dbraw/zinc/32/17/89/605321789.db2.gz ASEBRCOCPACSKV-LLVKDONJSA-N -1 0 300.318 1.678 20 50 DDGDRM O=C([O-])N1CCO[C@H](C(=O)NN=c2ccc3ccccc3[nH]2)C1 ZINC000834047077 605323462 /nfs/dbraw/zinc/32/34/62/605323462.db2.gz FYUKIZGZGLGIFF-LBPRGKRZSA-N -1 0 316.317 1.057 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)o1 ZINC000832701694 605409636 /nfs/dbraw/zinc/40/96/36/605409636.db2.gz FHNPQVYHWWBQBX-UHFFFAOYSA-N -1 0 320.261 1.712 20 50 DDGDRM COc1ccc2[nH]c(=NNC(=O)[C@H](C)NC(=O)[O-])c(C)cc2c1 ZINC000833734942 605412954 /nfs/dbraw/zinc/41/29/54/605412954.db2.gz MNIOGDNRMCMPGQ-VIFPVBQESA-N -1 0 318.333 1.651 20 50 DDGDRM Cn1cc(Br)cc1C(=O)NN=CCCNC(=O)[O-] ZINC000830985514 605463704 /nfs/dbraw/zinc/46/37/04/605463704.db2.gz RNURZZLEEMARFX-UHFFFAOYSA-N -1 0 317.143 1.161 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NN=c1cc(Cl)cc[nH]1 ZINC000834134274 605476885 /nfs/dbraw/zinc/47/68/85/605476885.db2.gz GSFHFYUJNATVNP-LURJTMIESA-N -1 0 308.672 1.470 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)CNc1ccccc1F ZINC000833801842 605622045 /nfs/dbraw/zinc/62/20/45/605622045.db2.gz MOMCZUBRTKXYPH-VIFPVBQESA-N -1 0 310.329 1.776 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)CCOc1ccccc1 ZINC000833802772 605624876 /nfs/dbraw/zinc/62/48/76/605624876.db2.gz VYKSJKFUAYRCNY-NSHDSACASA-N -1 0 307.350 1.994 20 50 DDGDRM O=C([O-])N1CC(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000834047257 605642865 /nfs/dbraw/zinc/64/28/65/605642865.db2.gz IVUPCZIJXINZHI-UHFFFAOYSA-N -1 0 314.685 1.301 20 50 DDGDRM O=C([O-])NNC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000834250546 605681754 /nfs/dbraw/zinc/68/17/54/605681754.db2.gz KHYWONOONQNAQS-ZETCQYMHSA-N -1 0 316.720 1.540 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NNc1ccc(F)c(F)c1F ZINC000831742453 605719861 /nfs/dbraw/zinc/71/98/61/605719861.db2.gz GLALNEORTBRQEK-QMMMGPOBSA-N -1 0 303.240 1.689 20 50 DDGDRM CC(C)(C)c1ccc(NNC(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000833449236 605745810 /nfs/dbraw/zinc/74/58/10/605745810.db2.gz QMLVBHNMWGWUKA-UHFFFAOYSA-N -1 0 306.366 1.972 20 50 DDGDRM O=C([O-])N1CC(CNC(=O)NNc2cccc(F)c2F)C1 ZINC000834034909 605773660 /nfs/dbraw/zinc/77/36/60/605773660.db2.gz CHQWFJIGQFURPL-UHFFFAOYSA-N -1 0 300.265 1.201 20 50 DDGDRM CCCN(CCNC(=O)NNc1ccc(Cl)nn1)C(=O)[O-] ZINC000833855565 605999510 /nfs/dbraw/zinc/99/95/10/605999510.db2.gz ZRARYDHHWJIJPC-UHFFFAOYSA-N -1 0 316.749 1.146 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1ccoc1 ZINC000833832472 606026507 /nfs/dbraw/zinc/02/65/07/606026507.db2.gz WIWBQAIADRHBNJ-QMTHXVAHSA-N -1 0 309.322 1.257 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@@H]1CC=CCC1 ZINC000826445567 608580200 /nfs/dbraw/zinc/58/02/00/608580200.db2.gz ZNBAJESNXMZSDX-MRVPVSSYSA-N -1 0 319.756 1.715 20 50 DDGDRM N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833072736 600916387 /nfs/dbraw/zinc/91/63/87/600916387.db2.gz YEPYCPGGDXEXSV-OLZOCXBDSA-N -1 0 315.329 1.210 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)C[C@@H]2CCCN2C(=O)[O-])o1 ZINC000824482382 602764507 /nfs/dbraw/zinc/76/45/07/602764507.db2.gz LOEGVRNQDPHEJY-VIFPVBQESA-N -1 0 321.337 1.645 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c(C)o1 ZINC000829956879 603429842 /nfs/dbraw/zinc/42/98/42/603429842.db2.gz OXBHHJZNSRGBJJ-ZJUUUORDSA-N -1 0 309.322 1.094 20 50 DDGDRM Cc1cc(C)c(NNC(=O)COC2CN(C(=O)[O-])C2)c(C)c1 ZINC000829998878 603474693 /nfs/dbraw/zinc/47/46/93/603474693.db2.gz YIULLWKEARCKIR-UHFFFAOYSA-N -1 0 307.350 1.434 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1 ZINC000832277956 603544580 /nfs/dbraw/zinc/54/45/80/603544580.db2.gz LLJDWKUEIBHFTO-CHWSQXEVSA-N -1 0 319.361 1.203 20 50 DDGDRM Cc1cc(=NNC(=O)c2ccc(CNC(=O)[O-])o2)nc(C)[nH]1 ZINC000830123067 603638824 /nfs/dbraw/zinc/63/88/24/603638824.db2.gz RDQRWQKDRBBDQP-UHFFFAOYSA-N -1 0 305.294 1.211 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2ccc(Cl)nc2)C1 ZINC000831907866 603942382 /nfs/dbraw/zinc/94/23/82/603942382.db2.gz JGULMCLTWGWALD-LLVKDONJSA-N -1 0 302.693 1.270 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000823754391 603953897 /nfs/dbraw/zinc/95/38/97/603953897.db2.gz JUERBFDBXHZFLY-MNOVXSKESA-N -1 0 313.398 1.787 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000829102320 603968023 /nfs/dbraw/zinc/96/80/23/603968023.db2.gz WUNMBKXNZOERLW-NXEZZACHSA-N -1 0 323.353 1.063 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830586087 604031585 /nfs/dbraw/zinc/03/15/85/604031585.db2.gz JEHWYLMBJFRVJV-WDEREUQCSA-N -1 0 320.349 1.584 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNc1c(F)c(F)nc(F)c1F ZINC000824869655 604059987 /nfs/dbraw/zinc/05/99/87/604059987.db2.gz ZGKIMHYWWQVLDB-SCSAIBSYSA-N -1 0 324.234 1.327 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000823822675 604186369 /nfs/dbraw/zinc/18/63/69/604186369.db2.gz SGVPBKIOUUFWMJ-DTWKUNHWSA-N -1 0 316.358 1.162 20 50 DDGDRM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)[O-] ZINC000823816540 604186389 /nfs/dbraw/zinc/18/63/89/604186389.db2.gz CJZPJOUYFIGIJJ-RKDXNWHRSA-N -1 0 316.358 1.162 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000831972871 604297978 /nfs/dbraw/zinc/29/79/78/604297978.db2.gz UIRJIIJEMLELAG-UHFFFAOYSA-N -1 0 320.280 1.388 20 50 DDGDRM C[C@H](COc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833518713 604803093 /nfs/dbraw/zinc/80/30/93/604803093.db2.gz JDQPNILREPXWKS-LLVKDONJSA-N -1 0 315.329 1.938 20 50 DDGDRM CC(C)(C(=O)NN[C@H](C(=O)[O-])c1cccnc1)c1ccccc1 ZINC000826080887 605000432 /nfs/dbraw/zinc/00/04/32/605000432.db2.gz JHJJRPKDCYOEGB-AWEZNQCLSA-N -1 0 313.357 1.806 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1F ZINC000834228265 605382711 /nfs/dbraw/zinc/38/27/11/605382711.db2.gz COALCQWBPQJJDA-UHFFFAOYSA-N -1 0 312.257 1.232 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CCCc2[nH]c3ccc(F)cc3c21 ZINC000834200114 605388886 /nfs/dbraw/zinc/38/88/86/605388886.db2.gz YLLQEOLORIVLOB-UHFFFAOYSA-N -1 0 318.308 1.731 20 50 DDGDRM O=C(CC1CCN(C(=O)[O-])CC1)NNc1ccc([N+](=O)[O-])cc1 ZINC000831349303 605408137 /nfs/dbraw/zinc/40/81/37/605408137.db2.gz DVSYFPRSCKFGRM-UHFFFAOYSA-N -1 0 322.321 1.818 20 50 DDGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)NCC(F)(F)F ZINC000824758957 605462844 /nfs/dbraw/zinc/46/28/44/605462844.db2.gz FSGGMWCIVDWCRS-MRVPVSSYSA-N -1 0 310.276 1.756 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)c1cccc(OC(F)F)c1 ZINC000832605487 605468347 /nfs/dbraw/zinc/46/83/47/605468347.db2.gz YQFKYZLXICZGFE-UHFFFAOYSA-N -1 0 301.249 1.661 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)C1CCCC1)c1ccccc1 ZINC000832106439 605585873 /nfs/dbraw/zinc/58/58/73/605585873.db2.gz ZPLNJEXFFBPVAY-CYBMUJFWSA-N -1 0 319.361 1.723 20 50 DDGDRM O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)N1CCOCC1 ZINC000834045717 605723412 /nfs/dbraw/zinc/72/34/12/605723412.db2.gz SRPVEZUPRHDALY-AAEUAGOBSA-N -1 0 324.381 1.327 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1occc1Br ZINC000834228604 605800405 /nfs/dbraw/zinc/80/04/05/605800405.db2.gz LZLBVGRCPZIKHR-UHFFFAOYSA-N -1 0 318.127 1.540 20 50 DDGDRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2ccncc2Cl)CC1 ZINC000834047301 605949875 /nfs/dbraw/zinc/94/98/75/605949875.db2.gz DLHTZVBFOJLKFT-SECBINFHSA-N -1 0 324.768 1.380 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1cccc2cnccc21)C1CC1 ZINC000834001801 605987334 /nfs/dbraw/zinc/98/73/34/605987334.db2.gz OYCHOFKZOGYLRN-UHFFFAOYSA-N -1 0 300.318 1.820 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834044553 606045890 /nfs/dbraw/zinc/04/58/90/606045890.db2.gz FLUPEYRXDCEYTI-SNVBAGLBSA-N -1 0 320.305 1.700 20 50 DDGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)COC(C)(C)C)o1 ZINC000824359602 609377775 /nfs/dbraw/zinc/37/77/75/609377775.db2.gz XXHKVRKETZDFCG-UHFFFAOYSA-N -1 0 323.357 1.236 20 50 DDGDRM O=C([O-])c1ccc(C=NNC(=O)c2cc(-c3ccccc3)n[nH]2)[nH]1 ZINC000833312113 601336484 /nfs/dbraw/zinc/33/64/84/601336484.db2.gz JPZPRRXRMIAMHV-UHFFFAOYSA-N -1 0 323.312 1.867 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)NC(C)C)cc(C)c1OCC(=O)[O-] ZINC000832864971 601679812 /nfs/dbraw/zinc/67/98/12/601679812.db2.gz YQQHJYOWQGHNDN-UHFFFAOYSA-N -1 0 323.349 1.119 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc(OC(F)F)c1 ZINC000827303932 602147573 /nfs/dbraw/zinc/14/75/73/602147573.db2.gz LTRGODMRLXILPM-SSDOTTSWSA-N -1 0 316.260 1.160 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000824170091 603287107 /nfs/dbraw/zinc/28/71/07/603287107.db2.gz FAZKIBALHIHZNT-FZMZJTMJSA-N -1 0 321.377 1.825 20 50 DDGDRM CC(C)(CNC(=O)NNc1cc(F)c(F)cc1F)NC(=O)[O-] ZINC000823941726 603460290 /nfs/dbraw/zinc/46/02/90/603460290.db2.gz XSOOIRGTSWTFAS-UHFFFAOYSA-N -1 0 320.271 1.776 20 50 DDGDRM Cc1ccc(CNC(=O)NNC(=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000830318790 603529837 /nfs/dbraw/zinc/52/98/37/603529837.db2.gz ZIATYCMAIMCKJU-NSHDSACASA-N -1 0 323.349 1.392 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)o1 ZINC000824481649 603530521 /nfs/dbraw/zinc/53/05/21/603530521.db2.gz BQAZXYVFQIMROL-DTWKUNHWSA-N -1 0 321.337 1.549 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1 ZINC000832277198 603624332 /nfs/dbraw/zinc/62/43/32/603624332.db2.gz HARVLQNRULPPCF-NKWVEPMBSA-N -1 0 317.267 1.983 20 50 DDGDRM CN(NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-])c1ccccc1 ZINC000828434958 603853616 /nfs/dbraw/zinc/85/36/16/603853616.db2.gz SDBXADCMIDLHAA-DGCLKSJQSA-N -1 0 306.366 1.773 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)c(C)o1 ZINC000829957105 603862878 /nfs/dbraw/zinc/86/28/78/603862878.db2.gz WGULRPMFWIJWLH-AWEZNQCLSA-N -1 0 309.322 1.047 20 50 DDGDRM CN(NC(=O)NCCCN(C(=O)[O-])C1CC1)c1ccccc1 ZINC000828435121 603999195 /nfs/dbraw/zinc/99/91/95/603999195.db2.gz YOHIPVPXPJLQHJ-UHFFFAOYSA-N -1 0 306.366 1.870 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000832276719 604006274 /nfs/dbraw/zinc/00/62/74/604006274.db2.gz DEDBMKGLSOAIGA-RNFRBKRXSA-N -1 0 317.267 1.983 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NN=c1[nH]cccc1C(F)(F)F ZINC000824867801 604222862 /nfs/dbraw/zinc/22/28/62/604222862.db2.gz FPTCINBRWWWEJH-ZETCQYMHSA-N -1 0 320.271 1.789 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNC(=O)NC2CCCCC2)c1 ZINC000833765964 604665957 /nfs/dbraw/zinc/66/59/57/604665957.db2.gz ZPQMGTWKBYMAMB-UHFFFAOYSA-N -1 0 319.361 1.590 20 50 DDGDRM C[C@@H]1CCCC[C@H]1OCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833611121 604802957 /nfs/dbraw/zinc/80/29/57/604802957.db2.gz HVBDIIAVTFNGDM-ZYHUDNBSSA-N -1 0 307.350 1.818 20 50 DDGDRM C[C@@H](Oc1ccccc1F)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833542836 604806795 /nfs/dbraw/zinc/80/67/95/604806795.db2.gz KTMRNOIATBZZEJ-SECBINFHSA-N -1 0 319.292 1.830 20 50 DDGDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)NNc1ccccc1 ZINC000826124228 604891743 /nfs/dbraw/zinc/89/17/43/604891743.db2.gz AYJMFQYREMMVJY-PWSUYJOCSA-N -1 0 322.365 1.816 20 50 DDGDRM Cc1cccc(O[C@H](C)C(=O)NN=CCCNC(=O)[O-])c1C ZINC000830523018 605461551 /nfs/dbraw/zinc/46/15/51/605461551.db2.gz WRKOWAMEVKIQSX-GFCCVEGCSA-N -1 0 307.350 1.830 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NN=c1cc(Cl)cc[nH]1 ZINC000834048826 605475885 /nfs/dbraw/zinc/47/58/85/605475885.db2.gz TUDKRJJRRYJSQK-SSDOTTSWSA-N -1 0 302.743 1.231 20 50 DDGDRM O=C([O-])NC1(CC(=O)NN=c2[nH]c3ccccc3[nH]2)CCC1 ZINC000834154694 605508443 /nfs/dbraw/zinc/50/84/43/605508443.db2.gz HETQJSSVSLOUAB-UHFFFAOYSA-N -1 0 303.322 1.586 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1ccccc1[N+](=O)[O-] ZINC000824299290 605572855 /nfs/dbraw/zinc/57/28/55/605572855.db2.gz DNXNYEGLKVKLEZ-JTQLQIEISA-N -1 0 310.310 1.720 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NN=c1nccc[nH]1)c1ccccc1 ZINC000832106168 605578403 /nfs/dbraw/zinc/57/84/03/605578403.db2.gz VBQXVSBBYQNPEG-NSHDSACASA-N -1 0 301.306 1.319 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NN=c1nccc[nH]1)c1ccccc1 ZINC000832106167 605578450 /nfs/dbraw/zinc/57/84/50/605578450.db2.gz VBQXVSBBYQNPEG-LLVKDONJSA-N -1 0 301.306 1.319 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(N2CCCCC2)cc1 ZINC000833384099 605586560 /nfs/dbraw/zinc/58/65/60/605586560.db2.gz BLYFRSQVVCCZFM-UHFFFAOYSA-N -1 0 318.377 1.785 20 50 DDGDRM CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)NCC(=O)[O-] ZINC000833684992 605589161 /nfs/dbraw/zinc/58/91/61/605589161.db2.gz ACZFQESZYFTAHU-UHFFFAOYSA-N -1 0 316.358 1.002 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NNc1cnccn1 ZINC000832359625 605612814 /nfs/dbraw/zinc/61/28/14/605612814.db2.gz NYHSMQSIDVSOFK-QWRGUYRKSA-N -1 0 307.354 1.526 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834175167 605714876 /nfs/dbraw/zinc/71/48/76/605714876.db2.gz ZIQXLUHZKSPUJY-MNOVXSKESA-N -1 0 308.294 1.474 20 50 DDGDRM N#Cc1cccc(NNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000833976247 605715592 /nfs/dbraw/zinc/71/55/92/605715592.db2.gz KTNIUVKGXYMRSL-NEPJUHHUSA-N -1 0 302.334 1.828 20 50 DDGDRM CC(=O)N1CCC[C@H](C(=O)NNc2ccccc2C(=O)[O-])C1 ZINC000833393756 605723385 /nfs/dbraw/zinc/72/33/85/605723385.db2.gz LXOPYQRHPGRJJY-NSHDSACASA-N -1 0 305.334 1.086 20 50 DDGDRM Cc1cc(C(=O)NN=C2CCC[C@H]2[C@@H]2CCCN2C(=O)[O-])[nH]n1 ZINC000833898433 605724468 /nfs/dbraw/zinc/72/44/68/605724468.db2.gz NMDRSNBKPIIHMT-MFKMUULPSA-N -1 0 319.365 1.746 20 50 DDGDRM Cc1csc2nc(C)c(C=NNC(=O)CCNC(=O)[O-])n12 ZINC000833914374 605746337 /nfs/dbraw/zinc/74/63/37/605746337.db2.gz BBBBHSMWVGSUIJ-UHFFFAOYSA-N -1 0 309.351 1.120 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000834045758 606046130 /nfs/dbraw/zinc/04/61/30/606046130.db2.gz UDCBZOQOYDMOKU-JTQLQIEISA-N -1 0 319.317 1.521 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000834137096 606079347 /nfs/dbraw/zinc/07/93/47/606079347.db2.gz ZPVDJMCJGVADOK-MRVPVSSYSA-N -1 0 318.236 1.329 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1=CCCCO1 ZINC000826445486 608581847 /nfs/dbraw/zinc/58/18/47/608581847.db2.gz WPSDBRNNYJLHIR-UHFFFAOYSA-N -1 0 321.728 1.053 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)NC(=O)[O-] ZINC000824671009 602894883 /nfs/dbraw/zinc/89/48/83/602894883.db2.gz DEISDFYGJMQCJX-JTQLQIEISA-N -1 0 307.350 1.158 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000832276509 603449640 /nfs/dbraw/zinc/44/96/40/603449640.db2.gz BLLHWDOGIFLVLG-BDAKNGLRSA-N -1 0 308.294 1.474 20 50 DDGDRM CCC(CC)(CNC(=O)NNC(=O)CC(C)C)NC(=O)[O-] ZINC000826541275 603548886 /nfs/dbraw/zinc/54/88/86/603548886.db2.gz UUXKAMJQWBMJRC-UHFFFAOYSA-N -1 0 302.375 1.189 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccc(F)c(F)c1F)CC1CC1 ZINC000831463896 603557416 /nfs/dbraw/zinc/55/74/16/603557416.db2.gz GPBPGOCQSHUYRO-UHFFFAOYSA-N -1 0 317.267 1.937 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823754304 603845280 /nfs/dbraw/zinc/84/52/80/603845280.db2.gz HEYIAJWUFUTSIP-FGWVZKOKSA-N -1 0 311.382 1.491 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 ZINC000832356114 603937975 /nfs/dbraw/zinc/93/79/75/603937975.db2.gz BELMRWGQUBEOFC-WDEREUQCSA-N -1 0 322.365 1.382 20 50 DDGDRM CC(C)[C@@H](CNC(=O)NNc1cccc(F)c1F)NC(=O)[O-] ZINC000824121931 604140642 /nfs/dbraw/zinc/14/06/42/604140642.db2.gz BLQDQKIHGIDIJS-SNVBAGLBSA-N -1 0 316.308 1.883 20 50 DDGDRM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[O-] ZINC000823816539 604186328 /nfs/dbraw/zinc/18/63/28/604186328.db2.gz CJZPJOUYFIGIJJ-IUCAKERBSA-N -1 0 316.358 1.162 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)C(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000824671867 604715245 /nfs/dbraw/zinc/71/52/45/604715245.db2.gz NBQTYNFMEKWCKI-SNVBAGLBSA-N -1 0 313.398 1.596 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833422363 604736521 /nfs/dbraw/zinc/73/65/21/604736521.db2.gz ZCSUYJHPZYKQIZ-UHFFFAOYSA-N -1 0 314.367 1.359 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833422369 604811698 /nfs/dbraw/zinc/81/16/98/604811698.db2.gz ZKQHHGYMQIZYHQ-UHFFFAOYSA-N -1 0 319.361 1.530 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)NCc2ccco2)cc1F ZINC000833147129 604815562 /nfs/dbraw/zinc/81/55/62/604815562.db2.gz UCZWTFMUOVXPGA-UHFFFAOYSA-N -1 0 321.264 1.261 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NN=c2ccc3ccccc3[nH]2)C1 ZINC000834086554 605322193 /nfs/dbraw/zinc/32/21/93/605322193.db2.gz VHWCTNKUZSVHFZ-HNNXBMFYSA-N -1 0 318.308 1.770 20 50 DDGDRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NN=c1cccc[nH]1 ZINC000833989174 605323959 /nfs/dbraw/zinc/32/39/59/605323959.db2.gz ZOALAIGEOYYLPN-YOGCLGLASA-N -1 0 304.350 1.836 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1csc(-c2ccc(F)cc2)n1 ZINC000834200820 605384845 /nfs/dbraw/zinc/38/48/45/605384845.db2.gz BHQYEAFNHUNZFW-UHFFFAOYSA-N -1 0 322.321 1.667 20 50 DDGDRM N#CCCn1cc(C=NNC(=O)CNC(=O)[O-])c2ccccc21 ZINC000833965360 605385522 /nfs/dbraw/zinc/38/55/22/605385522.db2.gz KSMRMLZCHKGBTI-UHFFFAOYSA-N -1 0 313.317 1.273 20 50 DDGDRM Cc1cccnc1CC(=NNC(=O)CNC(=O)[O-])C(F)(F)F ZINC000833910176 605385558 /nfs/dbraw/zinc/38/55/58/605385558.db2.gz HOQIKSSLZPPTLR-UHFFFAOYSA-N -1 0 318.255 1.235 20 50 DDGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)Cc1ccncc1 ZINC000824760926 605465924 /nfs/dbraw/zinc/46/59/24/605465924.db2.gz ZDPCRYHIOAVCJG-ZDUSSCGKSA-N -1 0 304.350 1.649 20 50 DDGDRM CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)C(=O)NC1CC1 ZINC000824760756 605475257 /nfs/dbraw/zinc/47/52/57/605475257.db2.gz XMPYTPUFUDIPGQ-GFCCVEGCSA-N -1 0 324.381 1.070 20 50 DDGDRM CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNC(=O)C(=O)NC1CC1 ZINC000824760758 605475363 /nfs/dbraw/zinc/47/53/63/605475363.db2.gz XMPYTPUFUDIPGQ-LBPRGKRZSA-N -1 0 324.381 1.070 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)NC1CCCCC1 ZINC000824299396 605575952 /nfs/dbraw/zinc/57/59/52/605575952.db2.gz IBPLPHTWYQHUOX-NSHDSACASA-N -1 0 314.386 1.332 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833384084 605588865 /nfs/dbraw/zinc/58/88/65/605588865.db2.gz BCACSFLKNUWPRF-UHFFFAOYSA-N -1 0 303.240 1.813 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(Br)s1 ZINC000833384993 605590288 /nfs/dbraw/zinc/59/02/88/605590288.db2.gz QPXXXRHQIXVTKQ-UHFFFAOYSA-N -1 0 320.168 1.618 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)[C@H]1COc2ccccc2O1 ZINC000833801496 605622409 /nfs/dbraw/zinc/62/24/09/605622409.db2.gz KIEDJKBHNFYMIG-NOZJJQNGSA-N -1 0 321.333 1.365 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)[C@H]1COc2ccccc2O1 ZINC000833801498 605622434 /nfs/dbraw/zinc/62/24/34/605622434.db2.gz KIEDJKBHNFYMIG-TVQRCGJNSA-N -1 0 321.333 1.365 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1cnnc2ccccc21 ZINC000833455701 605708843 /nfs/dbraw/zinc/70/88/43/605708843.db2.gz OUMWWIJCXMTSRQ-UHFFFAOYSA-N -1 0 302.334 1.964 20 50 DDGDRM O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1cnccn1 ZINC000834044195 605722321 /nfs/dbraw/zinc/72/23/21/605722321.db2.gz BDMNBYDQOYLMCD-GWCFXTLKSA-N -1 0 317.349 1.505 20 50 DDGDRM CC(C)CN1C[C@H](C(=O)NNc2ccccc2C(=O)[O-])CC1=O ZINC000833489836 605724096 /nfs/dbraw/zinc/72/40/96/605724096.db2.gz VCPBFJCOXOZTGE-LLVKDONJSA-N -1 0 319.361 1.332 20 50 DDGDRM CC(C)(C)C(=O)NCCCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833421745 605730376 /nfs/dbraw/zinc/73/03/76/605730376.db2.gz BELYKSJSJBFLQK-UHFFFAOYSA-N -1 0 321.377 1.770 20 50 DDGDRM CNC(=O)c1cccc(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833700794 605733878 /nfs/dbraw/zinc/73/38/78/605733878.db2.gz RYLLYYBERUGVSW-UHFFFAOYSA-N -1 0 313.313 1.501 20 50 DDGDRM O=C([O-])N1CC(OCC(=O)NNc2cccc3cnccc32)C1 ZINC000834010857 605736699 /nfs/dbraw/zinc/73/66/99/605736699.db2.gz JHPYAQNOOWYCIT-UHFFFAOYSA-N -1 0 316.317 1.057 20 50 DDGDRM CC1(O)CCC(NC(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833570524 605746537 /nfs/dbraw/zinc/74/65/37/605746537.db2.gz GUDYKFRULUJLMW-UHFFFAOYSA-N -1 0 307.350 1.705 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1c(Cl)nc2sccn12 ZINC000834227377 605746854 /nfs/dbraw/zinc/74/68/54/605746854.db2.gz DNDNHWSLUBLAOH-UHFFFAOYSA-N -1 0 315.742 1.157 20 50 DDGDRM CC[C@H]1CCC[C@H](NC(=O)NNC(=O)CCCNC(=O)[O-])C1 ZINC000833846413 605821004 /nfs/dbraw/zinc/82/10/04/605821004.db2.gz RUALMMXKKBMGMK-QWRGUYRKSA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)CCc1ccccc1O ZINC000834167209 605860841 /nfs/dbraw/zinc/86/08/41/605860841.db2.gz AVKHTMUCUCUWFG-NSHDSACASA-N -1 0 305.334 1.617 20 50 DDGDRM O=C([O-])NCc1cccc(NC(=O)NNC(=O)C2CCC2)c1 ZINC000834247721 605972372 /nfs/dbraw/zinc/97/23/72/605972372.db2.gz UXKZEAAVFNGNJZ-UHFFFAOYSA-N -1 0 306.322 1.407 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)CCCc1ccccc1)C1CC1 ZINC000833992100 605972835 /nfs/dbraw/zinc/97/28/35/605972835.db2.gz UCMTZZIRYFDZIH-UHFFFAOYSA-N -1 0 319.361 1.299 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1sccc1C1CC1 ZINC000834232338 605976779 /nfs/dbraw/zinc/97/67/79/605976779.db2.gz SFJICCOLLSPWCV-UHFFFAOYSA-N -1 0 311.363 1.434 20 50 DDGDRM CCCC1(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CC1 ZINC000825247434 608576637 /nfs/dbraw/zinc/57/66/37/608576637.db2.gz DLFLAIUMQFTDGO-UHFFFAOYSA-N -1 0 321.772 1.939 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc[nH]c1 ZINC000826446038 608578946 /nfs/dbraw/zinc/57/89/46/608578946.db2.gz WODPINIILGAVPT-UHFFFAOYSA-N -1 0 304.701 1.000 20 50 DDGDRM CCOC(=O)C(C#N)=CNc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829817921 600669615 /nfs/dbraw/zinc/66/96/15/600669615.db2.gz NNGYQEVYNMVJRV-HJWRWDBZSA-N -1 0 318.285 1.554 20 50 DDGDRM CC(C)C(=O)NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824044392 603225212 /nfs/dbraw/zinc/22/52/12/603225212.db2.gz TWSBOCNZUIFYOF-ZYHUDNBSSA-N -1 0 307.350 1.435 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000824170092 603287124 /nfs/dbraw/zinc/28/71/24/603287124.db2.gz FAZKIBALHIHZNT-RISCZKNCSA-N -1 0 321.377 1.825 20 50 DDGDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccoc1 ZINC000826793130 603892662 /nfs/dbraw/zinc/89/26/62/603892662.db2.gz AHQBJQUDTRIEIN-JTQLQIEISA-N -1 0 312.326 1.050 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@H](C)CN(C)C(=O)[O-])cc1 ZINC000827577002 604060971 /nfs/dbraw/zinc/06/09/71/604060971.db2.gz JKDOKEPYUXFTEL-SNVBAGLBSA-N -1 0 307.350 1.256 20 50 DDGDRM CN(CC(=O)NNc1ccc(-c2ccccc2)nn1)C(=O)[O-] ZINC000828114169 604101893 /nfs/dbraw/zinc/10/18/93/604101893.db2.gz CNWQESPMPZQDIF-UHFFFAOYSA-N -1 0 301.306 1.197 20 50 DDGDRM COc1cc(F)cc(NNC(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000829142048 604316210 /nfs/dbraw/zinc/31/62/10/604316210.db2.gz NCCUMOUAZYKYHN-UHFFFAOYSA-N -1 0 323.280 1.952 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)C1CCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824670972 604351609 /nfs/dbraw/zinc/35/16/09/604351609.db2.gz CLIYUWWPTBYPOC-JQWIXIFHSA-N -1 0 311.382 1.350 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)CCCc1ccccc1)c1cccnc1 ZINC000833098589 605000152 /nfs/dbraw/zinc/00/01/52/605000152.db2.gz YBPCKYPCAUGNOD-INIZCTEOSA-N -1 0 313.357 1.851 20 50 DDGDRM Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829961189 605308592 /nfs/dbraw/zinc/30/85/92/605308592.db2.gz BDURQRNMMGHCQR-UHFFFAOYSA-N -1 0 317.305 1.191 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[O-] ZINC000833789895 605312981 /nfs/dbraw/zinc/31/29/81/605312981.db2.gz OJEWHHCGBAZJRA-ZUZCIYMTSA-N -1 0 313.398 1.787 20 50 DDGDRM CC(=NNC(=O)[O-])[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000833384225 605323261 /nfs/dbraw/zinc/32/32/61/605323261.db2.gz FPPFDKRPBOZCTG-CYBMUJFWSA-N -1 0 321.333 1.668 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000832207195 605409719 /nfs/dbraw/zinc/40/97/19/605409719.db2.gz SJAZGTWRLHQACQ-UHFFFAOYSA-N -1 0 308.294 1.618 20 50 DDGDRM COc1ccc(NNC(=O)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829484110 605422230 /nfs/dbraw/zinc/42/22/30/605422230.db2.gz OWCJGBCIFQSOSL-QMMMGPOBSA-N -1 0 324.293 1.046 20 50 DDGDRM Cc1ccc(-c2nc(C=NNC(=O)NCC(=O)[O-])co2)cc1 ZINC000833746579 605589040 /nfs/dbraw/zinc/58/90/40/605589040.db2.gz KZEXCMGFQNNIQY-UHFFFAOYSA-N -1 0 302.290 1.368 20 50 DDGDRM N#Cc1cccc(NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833975863 605716988 /nfs/dbraw/zinc/71/69/88/605716988.db2.gz HBOQTEKEVOEIGH-ZDUSSCGKSA-N -1 0 318.333 1.160 20 50 DDGDRM N#Cc1ccc(NNC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])cc1 ZINC000833974473 605719025 /nfs/dbraw/zinc/71/90/25/605719025.db2.gz IOEZFSFIRKNNHV-HNNXBMFYSA-N -1 0 324.340 1.880 20 50 DDGDRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833536227 605732418 /nfs/dbraw/zinc/73/24/18/605732418.db2.gz PSIXEZYUAYBLSV-RISCZKNCSA-N -1 0 322.361 1.802 20 50 DDGDRM CO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1(C)C ZINC000833719689 605747237 /nfs/dbraw/zinc/74/72/37/605747237.db2.gz SPTQNSCFECTPAF-VXGBXAGGSA-N -1 0 307.350 1.824 20 50 DDGDRM Cn1cccc1C(=O)NNC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)[O-] ZINC000833953043 606002459 /nfs/dbraw/zinc/00/24/59/606002459.db2.gz SLXGYIBDHQMTOH-MEBBXXQBSA-N -1 0 322.365 1.003 20 50 DDGDRM O=C([O-])NNC(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000834250975 606056297 /nfs/dbraw/zinc/05/62/97/606056297.db2.gz PWZIKIVFCXXHCS-UHFFFAOYSA-N -1 0 322.148 1.992 20 50 DDGDRM CCOC(=O)C(C#N)=CNc1nc(CCCC(=O)[O-])cs1 ZINC000829818650 601635956 /nfs/dbraw/zinc/63/59/56/601635956.db2.gz ZWXURQBNKIKYOU-CLFYSBASSA-N -1 0 309.347 1.933 20 50 DDGDRM CC(C)(CNC(=O)NNC(=O)CCc1ccccc1)C(=O)[O-] ZINC000826584541 601687955 /nfs/dbraw/zinc/68/79/55/601687955.db2.gz BCJHQYJCEFZRJX-UHFFFAOYSA-N -1 0 307.350 1.060 20 50 DDGDRM Cc1c(/C=C(/C#N)C(=O)NCC(C)(C)C(=O)[O-])cc(C#N)n1C ZINC000832853830 601712657 /nfs/dbraw/zinc/71/26/57/601712657.db2.gz VUZGVNCSXUZYNO-XGICHPGQSA-N -1 0 314.345 1.339 20 50 DDGDRM Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)CC(=O)[O-])c1C ZINC000832972559 602070680 /nfs/dbraw/zinc/07/06/80/602070680.db2.gz FCRGMGCGAXXLLN-CMPLNLGQSA-N -1 0 322.361 1.329 20 50 DDGDRM C[C@@H](NC(=O)NNC(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000825172652 603440499 /nfs/dbraw/zinc/44/04/99/603440499.db2.gz WNRJNKKILQVFBW-ZCFIWIBFSA-N -1 0 309.257 1.419 20 50 DDGDRM CC[C@@H]1CC(=NNC(=O)NC2CCN(C(=O)[O-])CC2)CCO1 ZINC000826658768 603603452 /nfs/dbraw/zinc/60/34/52/603603452.db2.gz ALBGAEUHSZXSEH-GFCCVEGCSA-N -1 0 312.370 1.373 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000824231239 603739761 /nfs/dbraw/zinc/73/97/61/603739761.db2.gz FNSJUHVELNBMJS-KOLCDFICSA-N -1 0 315.370 1.073 20 50 DDGDRM O=C([O-])NCC1(C(=O)NNC(=O)CC2CCCC2)CCCC1 ZINC000832443019 603798401 /nfs/dbraw/zinc/79/84/01/603798401.db2.gz KQBMRZULZJWFHY-UHFFFAOYSA-N -1 0 311.382 1.542 20 50 DDGDRM CCC[C@@](C)(NC(=O)[O-])C(=O)NNc1cc(Cl)nc(C)n1 ZINC000826720340 603919041 /nfs/dbraw/zinc/91/90/41/603919041.db2.gz HSTZNOMCYSAZKW-GFCCVEGCSA-N -1 0 315.761 1.708 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000823754392 603954006 /nfs/dbraw/zinc/95/40/06/603954006.db2.gz JUERBFDBXHZFLY-QWRGUYRKSA-N -1 0 313.398 1.787 20 50 DDGDRM C=CCC(CC=C)C(=O)NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000823490598 604060307 /nfs/dbraw/zinc/06/03/07/604060307.db2.gz HCHADOUJKPYYOA-UHFFFAOYSA-N -1 0 324.381 1.228 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2cccnc2Cl)C1 ZINC000831908733 604103834 /nfs/dbraw/zinc/10/38/34/604103834.db2.gz VCFRCXWEODMZOD-LLVKDONJSA-N -1 0 302.693 1.270 20 50 DDGDRM O=C([O-])N1CC[C@H](NC(=O)NNc2cccc(F)c2F)C1 ZINC000831742355 604125421 /nfs/dbraw/zinc/12/54/21/604125421.db2.gz BVMYVQLIYVFXKZ-ZETCQYMHSA-N -1 0 300.265 1.343 20 50 DDGDRM O=C([O-])NC[C@H](NC(=O)NNc1cccc(F)c1F)C1CC1 ZINC000832427028 604153874 /nfs/dbraw/zinc/15/38/74/604153874.db2.gz FIPJQPIVGFRTIZ-JTQLQIEISA-N -1 0 314.292 1.637 20 50 DDGDRM N#Cc1cccc(NNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831153049 604176159 /nfs/dbraw/zinc/17/61/59/604176159.db2.gz VWHPZUDEVYGPGB-AAEUAGOBSA-N -1 0 317.349 1.621 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000831742991 605175911 /nfs/dbraw/zinc/17/59/11/605175911.db2.gz YSBYMAHMRMSKNF-SECBINFHSA-N -1 0 308.294 1.428 20 50 DDGDRM O=C([O-])N1CCO[C@@H](C(=O)NN=c2[nH]ccc3sccc32)C1 ZINC000831742785 605331311 /nfs/dbraw/zinc/33/13/11/605331311.db2.gz QYEKNUGAVVPSFA-SECBINFHSA-N -1 0 322.346 1.118 20 50 DDGDRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NNC(=O)CC1CCCC1 ZINC000833998523 605567897 /nfs/dbraw/zinc/56/78/97/605567897.db2.gz QLWDCEMSWCYAGH-LBPRGKRZSA-N -1 0 311.382 1.637 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833385398 605587178 /nfs/dbraw/zinc/58/71/78/605587178.db2.gz XRISSSHIXLBNDL-UHFFFAOYSA-N -1 0 314.685 1.356 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000833384468 605590015 /nfs/dbraw/zinc/59/00/15/605590015.db2.gz JOUKRRXHRBSDSR-VIFPVBQESA-N -1 0 322.321 1.533 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc2cc(O)ccc2c1 ZINC000833385009 605590191 /nfs/dbraw/zinc/59/01/91/605590191.db2.gz QZLCVYGUDBEGPF-UHFFFAOYSA-N -1 0 301.302 1.653 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(C#N)cc1 ZINC000824299286 605676943 /nfs/dbraw/zinc/67/69/43/605676943.db2.gz DNIKRSBRRRQLIO-LBPRGKRZSA-N -1 0 318.333 1.002 20 50 DDGDRM C=C(Br)CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833367206 605740363 /nfs/dbraw/zinc/74/03/63/605740363.db2.gz JBNJLIFGPHIWSB-UHFFFAOYSA-N -1 0 314.139 1.920 20 50 DDGDRM C[C@H]1C[C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833594946 605748955 /nfs/dbraw/zinc/74/89/55/605748955.db2.gz GWTCLOBLEVXNOV-WDEREUQCSA-N -1 0 307.350 1.826 20 50 DDGDRM CCCN(CCNC(=O)NN=c1cccc(OC)[nH]1)C(=O)[O-] ZINC000833855517 605763475 /nfs/dbraw/zinc/76/34/75/605763475.db2.gz ZGMLUDMOMLWNCD-UHFFFAOYSA-N -1 0 311.342 1.106 20 50 DDGDRM O=C([O-])N1CC(CNC(=O)NNc2c(F)cccc2F)C1 ZINC000834035891 605772037 /nfs/dbraw/zinc/77/20/37/605772037.db2.gz ZKMFVXXGZGMEDF-UHFFFAOYSA-N -1 0 300.265 1.201 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1CCCOc2cc(F)ccc21 ZINC000834243029 605889792 /nfs/dbraw/zinc/88/97/92/605889792.db2.gz FMWYRPKYEMTOOX-UHFFFAOYSA-N -1 0 324.312 1.269 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1ccoc1 ZINC000834275011 606056715 /nfs/dbraw/zinc/05/67/15/606056715.db2.gz WWSBSDIBMQLAGO-UHFFFAOYSA-N -1 0 303.274 1.373 20 50 DDGDRM O=C(CC1CCCC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826404090 608577563 /nfs/dbraw/zinc/57/75/63/608577563.db2.gz NYUFBJBBGPQMET-UHFFFAOYSA-N -1 0 321.772 1.939 20 50 DDGDRM CC(C)(CNC(=O)NNC(=O)CCC1CCCCC1)C(=O)[O-] ZINC000826586079 601669942 /nfs/dbraw/zinc/66/99/42/601669942.db2.gz XJXKMSVEJMRPGX-UHFFFAOYSA-N -1 0 313.398 1.788 20 50 DDGDRM CCOCC(=O)NN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000829940514 601974555 /nfs/dbraw/zinc/97/45/55/601974555.db2.gz TVCGUOIPGWOTGU-LLVKDONJSA-N -1 0 321.160 1.776 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000827304337 602182601 /nfs/dbraw/zinc/18/26/01/602182601.db2.gz RWPWSBSGPMQPAN-LURJTMIESA-N -1 0 302.689 1.351 20 50 DDGDRM Cc1ccc(F)c(NC(=S)NNC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832935158 602266665 /nfs/dbraw/zinc/26/66/65/602266665.db2.gz ADVSXQUMUFWPDU-MRVPVSSYSA-N -1 0 313.354 1.563 20 50 DDGDRM O=C([O-])Nc1ccc(C=NNC(=O)NCc2ccco2)cn1 ZINC000832841091 603488762 /nfs/dbraw/zinc/48/87/62/603488762.db2.gz QOYFEAHPXSNZRO-UHFFFAOYSA-N -1 0 303.278 1.598 20 50 DDGDRM CCC(CC)(CNC(=O)NNC(=O)c1ccoc1)NC(=O)[O-] ZINC000826540726 603548897 /nfs/dbraw/zinc/54/88/97/603548897.db2.gz FFBIANWSIIFHDZ-UHFFFAOYSA-N -1 0 312.326 1.050 20 50 DDGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)C1CCCC1 ZINC000824195691 603658654 /nfs/dbraw/zinc/65/86/54/603658654.db2.gz BQSWHWYIDUSRGH-NSHDSACASA-N -1 0 314.386 1.189 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2cccnc2Cl)C1 ZINC000831908735 604103878 /nfs/dbraw/zinc/10/38/78/604103878.db2.gz VCFRCXWEODMZOD-NSHDSACASA-N -1 0 302.693 1.270 20 50 DDGDRM CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(C(=O)[O-])cc1 ZINC000828863204 604641837 /nfs/dbraw/zinc/64/18/37/604641837.db2.gz XMONOYWRYVWTQN-UHFFFAOYSA-N -1 0 319.361 1.530 20 50 DDGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNc2cnccn2)cc1 ZINC000833419630 604734201 /nfs/dbraw/zinc/73/42/01/604734201.db2.gz ROYZIURTWJWRAQ-UHFFFAOYSA-N -1 0 315.333 1.987 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccsc1 ZINC000833407095 605040164 /nfs/dbraw/zinc/04/01/64/605040164.db2.gz QQWNDHSCFODLON-JTQLQIEISA-N -1 0 305.359 1.888 20 50 DDGDRM O=C([O-])N1CCO[C@H](CC(=O)NNc2ccc(F)cc2F)C1 ZINC000831388581 605298303 /nfs/dbraw/zinc/29/83/03/605298303.db2.gz WOSNVDLWFUBZNS-SECBINFHSA-N -1 0 315.276 1.177 20 50 DDGDRM O=C([O-])NNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000834250313 605373773 /nfs/dbraw/zinc/37/37/73/605373773.db2.gz GHIHCFHPIXJAKZ-LLVKDONJSA-N -1 0 306.366 1.792 20 50 DDGDRM COCCO[C@H](C)C(=O)NN=C(C)C[C@@H]1CCCN1C(=O)[O-] ZINC000828996292 605467146 /nfs/dbraw/zinc/46/71/46/605467146.db2.gz PONZPSCYGWCUPI-NEPJUHHUSA-N -1 0 315.370 1.063 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccc1F ZINC000824299662 605576078 /nfs/dbraw/zinc/57/60/78/605576078.db2.gz UIHBHBKPMUNDIY-NSHDSACASA-N -1 0 311.313 1.269 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2cccc([N+](=O)[O-])c2)C1 ZINC000834083613 605714713 /nfs/dbraw/zinc/71/47/13/605714713.db2.gz IPESLOVEUONTAF-LBPRGKRZSA-N -1 0 312.257 1.130 20 50 DDGDRM O=C([O-])N1CC[C@H](C(=O)NNc2ccc(OC(F)F)cc2)C1 ZINC000834046811 605737321 /nfs/dbraw/zinc/73/73/21/605737321.db2.gz DUXHPWXMHXWVFQ-QMMMGPOBSA-N -1 0 315.276 1.731 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cnn(-c2ccc(F)cc2)c1 ZINC000834227206 605749487 /nfs/dbraw/zinc/74/94/87/605749487.db2.gz OGXXNYBCUHVKCE-UHFFFAOYSA-N -1 0 319.296 1.119 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1c[nH]c(-c2ccccc2)n1 ZINC000834228339 605797259 /nfs/dbraw/zinc/79/72/59/605797259.db2.gz FLUFVRDIURRKSV-UHFFFAOYSA-N -1 0 315.333 1.575 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(N2CCCC2)nc1 ZINC000834228343 605799533 /nfs/dbraw/zinc/79/95/33/605799533.db2.gz FNYLXZNPNFTNHH-UHFFFAOYSA-N -1 0 319.365 1.180 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1cc(Cl)ccc1F ZINC000834243543 605987656 /nfs/dbraw/zinc/98/76/56/605987656.db2.gz OKLDLHWAKRCIIP-UHFFFAOYSA-N -1 0 302.693 1.380 20 50 DDGDRM CSCCC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826228626 608573267 /nfs/dbraw/zinc/57/32/67/608573267.db2.gz VKTDYGCMUCBEPO-UHFFFAOYSA-N -1 0 313.774 1.111 20 50 DDGDRM COc1ccsc1C(=O)[N-]NC(=O)[C@H]1Cc2ccccc2O1 ZINC000106020964 696626044 /nfs/dbraw/zinc/62/60/44/696626044.db2.gz XZDKWLSOGZBKFN-GFCCVEGCSA-N -1 0 318.354 1.521 20 50 DDGDRM Cc1cc(C(=O)NNc2cccnn2)cc(C)c1OCC(=O)[O-] ZINC000832864446 601757529 /nfs/dbraw/zinc/75/75/29/601757529.db2.gz GEUXWEHRMHPPBK-UHFFFAOYSA-N -1 0 316.317 1.314 20 50 DDGDRM O=C([O-])c1ccc(CCC(=O)NNc2ccncc2Cl)cc1 ZINC000833101982 601817864 /nfs/dbraw/zinc/81/78/64/601817864.db2.gz ITBGEJPEUIOPGA-UHFFFAOYSA-N -1 0 319.748 1.931 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000831463813 603215614 /nfs/dbraw/zinc/21/56/14/603215614.db2.gz CHDKEFNARQGJAP-UHFFFAOYSA-N -1 0 308.294 1.428 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)C[C@H]2CCCN2C(=O)[O-])cc1 ZINC000827578117 603225361 /nfs/dbraw/zinc/22/53/61/603225361.db2.gz VTQIEHHFSCQLTP-CYBMUJFWSA-N -1 0 319.361 1.543 20 50 DDGDRM O=C([O-])N1CCC(=NNC(=O)Cc2cn3ccccc3n2)CC1 ZINC000831562249 603582172 /nfs/dbraw/zinc/58/21/72/603582172.db2.gz KELNLGODLWKLRQ-UHFFFAOYSA-N -1 0 315.333 1.123 20 50 DDGDRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(F)cn1 ZINC000832473966 603858264 /nfs/dbraw/zinc/85/82/64/603858264.db2.gz GCZCNGQHRWBJFO-WCBMZHEXSA-N -1 0 311.317 1.283 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)c(C)o1 ZINC000829957106 603862619 /nfs/dbraw/zinc/86/26/19/603862619.db2.gz WGULRPMFWIJWLH-CQSZACIVSA-N -1 0 309.322 1.047 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@H](CC(C)C)NC(=O)[O-])n1 ZINC000830765799 603920520 /nfs/dbraw/zinc/92/05/20/603920520.db2.gz WGBKQZHZNZTPFT-MRVPVSSYSA-N -1 0 315.761 1.564 20 50 DDGDRM O=C([O-])N1CCC(NC(=O)NNc2ccc(Cl)nc2)CC1 ZINC000831742737 603995015 /nfs/dbraw/zinc/99/50/15/603995015.db2.gz PHLQUILDFJYWTI-UHFFFAOYSA-N -1 0 313.745 1.504 20 50 DDGDRM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NNC(=O)[O-])CC2 ZINC000830778753 604020500 /nfs/dbraw/zinc/02/05/00/604020500.db2.gz GHDGCXACVBARCX-ZCFIWIBFSA-N -1 0 318.255 1.208 20 50 DDGDRM C[C@]1(C(=O)NNc2cc(F)c(F)c(F)c2)CCN(C(=O)[O-])C1 ZINC000825673101 604067528 /nfs/dbraw/zinc/06/75/28/604067528.db2.gz MKOBOEJOBFPTCR-ZDUSSCGKSA-N -1 0 317.267 1.937 20 50 DDGDRM CC(=NNC(=O)c1ccc(N)cc1)[C@H]1CCCCN1C(=O)[O-] ZINC000823534438 604085658 /nfs/dbraw/zinc/08/56/58/604085658.db2.gz XTHGFVSZMTWFLC-CYBMUJFWSA-N -1 0 304.350 1.907 20 50 DDGDRM O=C([O-])NNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000832748499 604231636 /nfs/dbraw/zinc/23/16/36/604231636.db2.gz MQWXJMLBXHYYQD-ZCFIWIBFSA-N -1 0 306.105 1.909 20 50 DDGDRM C[C@@H](CC(=O)NN=c1nccc[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680280 604299690 /nfs/dbraw/zinc/29/96/90/604299690.db2.gz TUGFHTBEGOCYIZ-WDEREUQCSA-N -1 0 307.354 1.336 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)NCC(F)(F)F ZINC000833406556 605039931 /nfs/dbraw/zinc/03/99/31/605039931.db2.gz NPZVUQAMOYHZIP-SSDOTTSWSA-N -1 0 306.244 1.329 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@H](CC(C)C)NC(=O)[O-])n1 ZINC000830765801 605158170 /nfs/dbraw/zinc/15/81/70/605158170.db2.gz WGBKQZHZNZTPFT-QMMMGPOBSA-N -1 0 315.761 1.564 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)c1cccnc1)c1ccccc1 ZINC000831451525 605241146 /nfs/dbraw/zinc/24/11/46/605241146.db2.gz ZBYDBNFNYWNWEH-UHFFFAOYSA-N -1 0 314.301 1.027 20 50 DDGDRM Cc1cc(NNC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)ncn1 ZINC000830122691 605332591 /nfs/dbraw/zinc/33/25/91/605332591.db2.gz OQTLGJSYCXMPPV-SNVBAGLBSA-N -1 0 321.381 1.644 20 50 DDGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)Cc1ccccn1 ZINC000824759787 605465832 /nfs/dbraw/zinc/46/58/32/605465832.db2.gz PMEQOVWNXLBZRW-CYBMUJFWSA-N -1 0 304.350 1.649 20 50 DDGDRM O=C([O-])NCC1(C(=O)NN=c2[nH]c3ccccc3[nH]2)CCCC1 ZINC000834207559 605508486 /nfs/dbraw/zinc/50/84/86/605508486.db2.gz RYIOFGVNZBVXRS-UHFFFAOYSA-N -1 0 317.349 1.834 20 50 DDGDRM O=C([O-])NNC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000833280801 605676142 /nfs/dbraw/zinc/67/61/42/605676142.db2.gz QDLJNJPNCPDHJI-UHFFFAOYSA-N -1 0 320.280 1.340 20 50 DDGDRM N#Cc1cccc(NNC(=O)C2(NC(=O)[O-])CCCCC2)c1 ZINC000833975792 605715440 /nfs/dbraw/zinc/71/54/40/605715440.db2.gz GCERBURMJOQGTR-UHFFFAOYSA-N -1 0 302.334 1.972 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCN(c2ccccn2)CC1 ZINC000834229420 605800252 /nfs/dbraw/zinc/80/02/52/605800252.db2.gz HULBRFVSUFRGJX-UHFFFAOYSA-N -1 0 319.365 1.202 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000834167200 605856503 /nfs/dbraw/zinc/85/65/03/605856503.db2.gz APVRITXEBRJINJ-JTQLQIEISA-N -1 0 306.278 1.501 20 50 DDGDRM O=C([O-])Nc1ncccc1C=NNC(=O)c1ccccc1O ZINC000834283732 605954910 /nfs/dbraw/zinc/95/49/10/605954910.db2.gz VKEABQWPZCOARF-UHFFFAOYSA-N -1 0 300.274 1.641 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cccc2cnccc12 ZINC000834228257 605992655 /nfs/dbraw/zinc/99/26/55/605992655.db2.gz CKARWDMOJIOOQN-UHFFFAOYSA-N -1 0 300.318 1.733 20 50 DDGDRM CC(C)CCC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824243531 608571304 /nfs/dbraw/zinc/57/13/04/608571304.db2.gz IQVYTIUWBVEBLC-UHFFFAOYSA-N -1 0 309.761 1.794 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CCCC1 ZINC000826445035 608580322 /nfs/dbraw/zinc/58/03/22/608580322.db2.gz DGVDNABYPDLHEQ-UHFFFAOYSA-N -1 0 307.745 1.548 20 50 DDGDRM CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])[nH]1 ZINC000827026957 601330462 /nfs/dbraw/zinc/33/04/62/601330462.db2.gz AVXKDIVWVNIHPT-FLIBITNWSA-N -1 0 305.334 1.551 20 50 DDGDRM O=C([O-])c1ccc(C=NNC(=O)Cc2cn3ccccc3n2)o1 ZINC000833120430 601338401 /nfs/dbraw/zinc/33/84/01/601338401.db2.gz ZNTZQHYTUPJDPH-UHFFFAOYSA-N -1 0 312.285 1.318 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000833118527 601455335 /nfs/dbraw/zinc/45/53/35/601455335.db2.gz OXJHSZZICJZFPF-HNNXBMFYSA-N -1 0 302.305 1.815 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1F)NC(=O)[O-] ZINC000824671027 603513149 /nfs/dbraw/zinc/51/31/49/603513149.db2.gz DNLFPZQTYQIIEV-LURJTMIESA-N -1 0 317.704 1.286 20 50 DDGDRM CCC(CC)(CNC(=O)NN=c1ccc(C)c[nH]1)NC(=O)[O-] ZINC000826541013 603548866 /nfs/dbraw/zinc/54/88/66/603548866.db2.gz LULLLJJYCBIWQY-UHFFFAOYSA-N -1 0 309.370 1.843 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNc1cccc(C(F)(F)F)n1 ZINC000823964351 603799615 /nfs/dbraw/zinc/79/96/15/603799615.db2.gz ASUAXIYSJUGUAS-UHFFFAOYSA-N -1 0 320.271 1.837 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000824374965 603968262 /nfs/dbraw/zinc/96/82/62/603968262.db2.gz VWDGEYIXNWNWKN-QWRGUYRKSA-N -1 0 314.386 1.332 20 50 DDGDRM COCCCNC(=O)NN=C(C)[C@H]1CCCCN1C(=O)[O-] ZINC000828950487 604088843 /nfs/dbraw/zinc/08/88/43/604088843.db2.gz KBKPENQNWSNVBM-LLVKDONJSA-N -1 0 300.359 1.231 20 50 DDGDRM CC(C)[C@H](CNC(=O)NNc1ccc(Cl)nc1)NC(=O)[O-] ZINC000824123805 604143718 /nfs/dbraw/zinc/14/37/18/604143718.db2.gz SFSCQSXVCDBHBH-VIFPVBQESA-N -1 0 315.761 1.653 20 50 DDGDRM O=C([O-])NC[C@H](NC(=O)NNc1ccc(Cl)nc1)C1CC1 ZINC000832428384 604153779 /nfs/dbraw/zinc/15/37/79/604153779.db2.gz RAVLPZZSLGFDBE-VIFPVBQESA-N -1 0 313.745 1.407 20 50 DDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)c1ccccc1 ZINC000832845611 604263474 /nfs/dbraw/zinc/26/34/74/604263474.db2.gz IZNYYGZKJHCYSY-UHFFFAOYSA-N -1 0 301.302 1.405 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CC(C)(C)NC(=O)[O-] ZINC000830567335 604496843 /nfs/dbraw/zinc/49/68/43/604496843.db2.gz OFFUWPXTCMHZMA-UHFFFAOYSA-N -1 0 307.350 1.121 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000833016333 604599585 /nfs/dbraw/zinc/59/95/85/604599585.db2.gz UMWZUKFAARVRDR-NSHDSACASA-N -1 0 313.785 1.818 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000833421735 604721770 /nfs/dbraw/zinc/72/17/70/604721770.db2.gz APPPCPMMDRFLMS-UHFFFAOYSA-N -1 0 309.322 1.349 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1cccnc1 ZINC000833408924 605040269 /nfs/dbraw/zinc/04/02/69/605040269.db2.gz ZUYMJRDJMXUONV-LLVKDONJSA-N -1 0 300.318 1.222 20 50 DDGDRM CCCOc1ccc(C(=O)NN[C@@H](C(=O)[O-])C2CC2)cc1OC ZINC000833652731 605062552 /nfs/dbraw/zinc/06/25/52/605062552.db2.gz YMAVGAQHXOLTHQ-CQSZACIVSA-N -1 0 322.361 1.582 20 50 DDGDRM O=C([O-])C1CCC(C(=O)NNC(=O)CCc2ccccc2)CC1 ZINC000833763818 605149635 /nfs/dbraw/zinc/14/96/35/605149635.db2.gz HVSHTOAZVSNCAS-UHFFFAOYSA-N -1 0 318.373 1.658 20 50 DDGDRM O=C([O-])N1CCO[C@@H](CC(=O)NNc2cccc(F)c2F)C1 ZINC000831389081 605365910 /nfs/dbraw/zinc/36/59/10/605365910.db2.gz ZHTZSXKENWAPPF-QMMMGPOBSA-N -1 0 315.276 1.177 20 50 DDGDRM Cc1cc(C)c(NNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c(C)c1 ZINC000829996643 605371222 /nfs/dbraw/zinc/37/12/22/605371222.db2.gz CVMSUOORYSXJPL-ZDUSSCGKSA-N -1 0 321.377 1.824 20 50 DDGDRM O=C([O-])N1CCO[C@H](C(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000831742514 605381557 /nfs/dbraw/zinc/38/15/57/605381557.db2.gz INMBFDHKRGNLQG-JTQLQIEISA-N -1 0 317.704 1.301 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cccc(OC2CCCC2)c1 ZINC000834201161 605384102 /nfs/dbraw/zinc/38/41/02/605384102.db2.gz FSMRRDIDAXRKCY-UHFFFAOYSA-N -1 0 305.334 1.726 20 50 DDGDRM CC(C)(C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1cccnc1 ZINC000833411398 605403983 /nfs/dbraw/zinc/40/39/83/605403983.db2.gz FHCPZVBIENKKGX-UHFFFAOYSA-N -1 0 300.318 1.596 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1csc(Br)c1 ZINC000834227169 605746996 /nfs/dbraw/zinc/74/69/96/605746996.db2.gz MPKMQGDCSBSCHO-UHFFFAOYSA-N -1 0 320.168 1.618 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)c1ccc2c(c1)OCO2 ZINC000834169462 605857129 /nfs/dbraw/zinc/85/71/29/605857129.db2.gz MXNINTUVTQEUDT-VIFPVBQESA-N -1 0 305.290 1.321 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNC(=O)c1ccc(Cl)cc1 ZINC000834234038 605888758 /nfs/dbraw/zinc/88/87/58/605888758.db2.gz JXXJQIJIHOYODR-UHFFFAOYSA-N -1 0 313.741 1.539 20 50 DDGDRM O=C([O-])NNC(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000834250879 605954691 /nfs/dbraw/zinc/95/46/91/605954691.db2.gz NYLJAJPBMFVRLQ-UHFFFAOYSA-N -1 0 323.349 1.364 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2F)C1 ZINC000833149082 600835220 /nfs/dbraw/zinc/83/52/20/600835220.db2.gz DFQXFTIOVGILHN-ZJUUUORDSA-N -1 0 308.309 1.478 20 50 DDGDRM N#Cc1ccc(C(=O)NN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000833072306 601303246 /nfs/dbraw/zinc/30/32/46/601303246.db2.gz RKDDZMHTYBUUPA-HNNXBMFYSA-N -1 0 320.308 1.490 20 50 DDGDRM O=C([O-])NNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000833280282 601798816 /nfs/dbraw/zinc/79/88/16/601798816.db2.gz DTZNXEXICKRFBA-UHFFFAOYSA-N -1 0 303.278 1.918 20 50 DDGDRM CCC(CC)(CNC(=O)NNC(=O)CC(C)(C)C)NC(=O)[O-] ZINC000826541195 603548557 /nfs/dbraw/zinc/54/85/57/603548557.db2.gz RLSDYBPPARWHCI-UHFFFAOYSA-N -1 0 316.402 1.579 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)C2(CNC(=O)[O-])CCCC2)n1 ZINC000829101963 603695808 /nfs/dbraw/zinc/69/58/08/603695808.db2.gz PFQCYQACMKRLSK-UHFFFAOYSA-N -1 0 323.353 1.065 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823754483 603780232 /nfs/dbraw/zinc/78/02/32/603780232.db2.gz MKPPXHIBJKJMCA-PBINXNQUSA-N -1 0 312.370 1.036 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)COc2ccc(F)cc2)CC1 ZINC000831545832 603858193 /nfs/dbraw/zinc/85/81/93/603858193.db2.gz YYKZIWXJRWUKHP-UHFFFAOYSA-N -1 0 323.324 1.697 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)CC2(NC(=O)[O-])CCC2)n1 ZINC000830765566 603919673 /nfs/dbraw/zinc/91/96/73/603919673.db2.gz UHSAFTDLQKNIHR-UHFFFAOYSA-N -1 0 313.745 1.462 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2cccc(F)c2F)C1 ZINC000831907925 603928174 /nfs/dbraw/zinc/92/81/74/603928174.db2.gz KWSJOELVBBXCIH-LBPRGKRZSA-N -1 0 303.240 1.500 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NN=c2[nH]cccc2C(F)(F)F)C1 ZINC000831366149 604066927 /nfs/dbraw/zinc/06/69/27/604066927.db2.gz COTCORCQJWYKAI-UHFFFAOYSA-N -1 0 318.255 1.543 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNC(=O)CCc2ccccc2)CCC1 ZINC000832206700 604135597 /nfs/dbraw/zinc/13/55/97/604135597.db2.gz LGXSAARXMYRTQQ-UHFFFAOYSA-N -1 0 319.361 1.347 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824170683 604297589 /nfs/dbraw/zinc/29/75/89/604297589.db2.gz QRDSSSUUJVEJQF-NEPJUHHUSA-N -1 0 313.398 1.596 20 50 DDGDRM CCCNC(=O)NNC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000826926421 604320699 /nfs/dbraw/zinc/32/06/99/604320699.db2.gz ZDLYKSAHBZBMLN-QWRGUYRKSA-N -1 0 314.386 1.143 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000833183885 604708729 /nfs/dbraw/zinc/70/87/29/604708729.db2.gz LOISFDUZIYTKHC-NXEZZACHSA-N -1 0 307.306 1.929 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CS[C@@H](C)CC(=O)[O-] ZINC000832977948 604745307 /nfs/dbraw/zinc/74/53/07/604745307.db2.gz ZJLXQKRJKTYTOW-NSHDSACASA-N -1 0 324.402 1.281 20 50 DDGDRM CC(C)(C)c1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)no1 ZINC000833446645 604802367 /nfs/dbraw/zinc/80/23/67/604802367.db2.gz HKBJPKQGODFJOQ-UHFFFAOYSA-N -1 0 304.306 1.822 20 50 DDGDRM C[C@@H](OC[C@H]1CCCCO1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833535445 604802959 /nfs/dbraw/zinc/80/29/59/604802959.db2.gz JCGUEPNZOINCGP-ZYHUDNBSSA-N -1 0 323.349 1.197 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(N)cc1 ZINC000833406342 605038125 /nfs/dbraw/zinc/03/81/25/605038125.db2.gz MXULZAFHLBQDDB-SNVBAGLBSA-N -1 0 300.318 1.480 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000831907414 605409181 /nfs/dbraw/zinc/40/91/81/605409181.db2.gz CZBXYRHGLFZGJR-GFCCVEGCSA-N -1 0 312.257 1.130 20 50 DDGDRM O=C([O-])Cc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1 ZINC000833776014 605480967 /nfs/dbraw/zinc/48/09/67/605480967.db2.gz OQPVVFPHGFHHFS-UHFFFAOYSA-N -1 0 313.313 1.396 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834171731 605508635 /nfs/dbraw/zinc/50/86/35/605508635.db2.gz WGCLEVIYEAZLIW-IUCAKERBSA-N -1 0 303.322 1.442 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000833970899 605515476 /nfs/dbraw/zinc/51/54/76/605515476.db2.gz WVWVMTUYESQLRN-QMMMGPOBSA-N -1 0 309.713 1.050 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000833384331 605586521 /nfs/dbraw/zinc/58/65/21/605586521.db2.gz HEEMVHHFIFAINB-UHFFFAOYSA-N -1 0 318.333 1.024 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000834126208 605598872 /nfs/dbraw/zinc/59/88/72/605598872.db2.gz IWDBUGCLYSXDCT-JTQLQIEISA-N -1 0 308.294 1.474 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)COc1ccc(F)cc1 ZINC000833801907 605622228 /nfs/dbraw/zinc/62/22/28/605622228.db2.gz NJMOPMHPHBZLQH-SECBINFHSA-N -1 0 311.313 1.743 20 50 DDGDRM O=C([O-])N[C@H](C(=O)NNc1ncc(F)cn1)c1ccccc1 ZINC000834256700 605693300 /nfs/dbraw/zinc/69/33/00/605693300.db2.gz PNPVIIKWJPKLCK-JTQLQIEISA-N -1 0 305.269 1.068 20 50 DDGDRM N#Cc1ccc(NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC000833976538 605719069 /nfs/dbraw/zinc/71/90/69/605719069.db2.gz WEVRREONTGSERM-CYBMUJFWSA-N -1 0 318.333 1.160 20 50 DDGDRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833536677 605722050 /nfs/dbraw/zinc/72/20/50/605722050.db2.gz UETVCGADRWEGGD-NEPJUHHUSA-N -1 0 322.361 1.802 20 50 DDGDRM C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833536222 605732304 /nfs/dbraw/zinc/73/23/04/605732304.db2.gz PSIXEZYUAYBLSV-BXUZGUMPSA-N -1 0 322.361 1.802 20 50 DDGDRM C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833536228 605732636 /nfs/dbraw/zinc/73/26/36/605732636.db2.gz PSIXEZYUAYBLSV-SMDDNHRTSA-N -1 0 322.361 1.802 20 50 DDGDRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NNc1cccc2c1CCCC2 ZINC000834048011 605735400 /nfs/dbraw/zinc/73/54/00/605735400.db2.gz IRZOREWWSGZZHC-FZMZJTMJSA-N -1 0 319.361 1.122 20 50 DDGDRM CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)N1CCCC1=O ZINC000833635825 605737870 /nfs/dbraw/zinc/73/78/70/605737870.db2.gz AUUDIXJLXHRAFI-GFCCVEGCSA-N -1 0 305.334 1.229 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C1CCC(F)(F)CC1 ZINC000834231207 605976793 /nfs/dbraw/zinc/97/67/93/605976793.db2.gz MLRZOIGLNXTSQE-UHFFFAOYSA-N -1 0 307.297 1.007 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1cccc(F)c1F ZINC000834134336 606078632 /nfs/dbraw/zinc/07/86/32/606078632.db2.gz IEIAJAFGRDRYCW-SSDOTTSWSA-N -1 0 309.219 1.699 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccoc1 ZINC000826445968 608572510 /nfs/dbraw/zinc/57/25/10/608572510.db2.gz SRHLOCNOLHLSFE-UHFFFAOYSA-N -1 0 305.685 1.265 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1 ZINC000833148957 600835319 /nfs/dbraw/zinc/83/53/19/600835319.db2.gz BRPFCLXXZFFNFZ-WDEREUQCSA-N -1 0 324.764 1.992 20 50 DDGDRM Cc1cccc(C(=O)NNC(=O)CS[C@@H](C)CC(=O)[O-])c1 ZINC000832963082 600840351 /nfs/dbraw/zinc/84/03/51/600840351.db2.gz JWULXIOMJISQMN-JTQLQIEISA-N -1 0 310.375 1.352 20 50 DDGDRM Cc1cc(C(=O)NN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)o1 ZINC000832864895 601298546 /nfs/dbraw/zinc/29/85/46/601298546.db2.gz WTFJLVYHUHYYRC-AWEZNQCLSA-N -1 0 313.313 1.828 20 50 DDGDRM Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830225880 602882547 /nfs/dbraw/zinc/88/25/47/602882547.db2.gz ZELGKTCAXQSIQI-UHFFFAOYSA-N -1 0 317.305 1.191 20 50 DDGDRM C[C@H](CC(=O)NN=c1sc2ccccc2n1C)NC(=O)[O-] ZINC000824671408 603285993 /nfs/dbraw/zinc/28/59/93/603285993.db2.gz GZYVSUAIHNNDMJ-MRVPVSSYSA-N -1 0 308.363 1.218 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824372750 603427802 /nfs/dbraw/zinc/42/78/02/603427802.db2.gz CQLLDFCCCRQRIL-ZYHUDNBSSA-N -1 0 322.365 1.370 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000824170263 603436262 /nfs/dbraw/zinc/43/62/62/603436262.db2.gz IRCYROPOYWKPJG-CYBMUJFWSA-N -1 0 321.377 1.449 20 50 DDGDRM CC(C)(CNC(=O)NNc1cccc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000823941704 603457562 /nfs/dbraw/zinc/45/75/62/603457562.db2.gz WWVOSJGXYUROQL-UHFFFAOYSA-N -1 0 311.298 1.267 20 50 DDGDRM O=C([O-])NCC1(C(=O)NNC(=O)c2ccccc2F)CCCC1 ZINC000832443240 603614699 /nfs/dbraw/zinc/61/46/99/603614699.db2.gz WHHUJINHHJHHSH-UHFFFAOYSA-N -1 0 323.324 1.415 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)C2(CNC(=O)[O-])CCCC2)n1 ZINC000830024951 603624067 /nfs/dbraw/zinc/62/40/67/603624067.db2.gz HWUHLPRXIDNKSR-UHFFFAOYSA-N -1 0 307.354 1.365 20 50 DDGDRM Cn1cccc1C(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000831026996 603821277 /nfs/dbraw/zinc/82/12/77/603821277.db2.gz SOZXVENRTWCULX-UHFFFAOYSA-N -1 0 312.329 1.830 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NN=c1nccc[nH]1 ZINC000832361705 603953752 /nfs/dbraw/zinc/95/37/52/603953752.db2.gz XOLLBQHJGWRKOS-WDEREUQCSA-N -1 0 307.354 1.526 20 50 DDGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000829226281 604138736 /nfs/dbraw/zinc/13/87/36/604138736.db2.gz XWLIILHXMMKNLM-QMMMGPOBSA-N -1 0 312.278 1.755 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000823822676 604186451 /nfs/dbraw/zinc/18/64/51/604186451.db2.gz SGVPBKIOUUFWMJ-IUCAKERBSA-N -1 0 316.358 1.162 20 50 DDGDRM C[C@H](CC(=O)NNc1cccnn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680632 604581241 /nfs/dbraw/zinc/58/12/41/604581241.db2.gz XSDMKNPZYSPQKC-MNOVXSKESA-N -1 0 307.354 1.336 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)CCc1ccccc1C(=O)[O-] ZINC000833440197 604665207 /nfs/dbraw/zinc/66/52/07/604665207.db2.gz AHPIJCQCUYQYMD-UHFFFAOYSA-N -1 0 308.334 1.873 20 50 DDGDRM C[C@H]1C(=NNC(=O)NCCNC(=O)[O-])C[C@H]1c1ccccc1 ZINC000825779209 605238856 /nfs/dbraw/zinc/23/88/56/605238856.db2.gz WTJHYNFGPNNLOK-ZYHUDNBSSA-N -1 0 304.350 1.733 20 50 DDGDRM CC(=NNC(=O)NC1CCN(C(=O)[O-])CC1)c1occc1C ZINC000823527430 605238878 /nfs/dbraw/zinc/23/88/78/605238878.db2.gz JWOCYOXJWYILMX-UHFFFAOYSA-N -1 0 308.338 1.754 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(F)c(C(F)(F)F)c1 ZINC000834202243 605387958 /nfs/dbraw/zinc/38/79/58/605387958.db2.gz RVESSAMOAFCLNI-UHFFFAOYSA-N -1 0 307.203 1.562 20 50 DDGDRM COc1ccc2[nH]c(=NNC(=O)[C@@H]3C[C@H]3C(=O)[O-])c(C)cc2c1 ZINC000833735414 605412992 /nfs/dbraw/zinc/41/29/92/605412992.db2.gz ZWCJCZKVACPBLX-VXGBXAGGSA-N -1 0 315.329 1.716 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc(SC(F)F)cc1 ZINC000834203053 605458003 /nfs/dbraw/zinc/45/80/03/605458003.db2.gz GFGVIBLHRDMZLE-UHFFFAOYSA-N -1 0 319.289 1.030 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)c1cc(Br)c[nH]1 ZINC000832605238 605465034 /nfs/dbraw/zinc/46/50/34/605465034.db2.gz NCTXPWPBQUVTGV-UHFFFAOYSA-N -1 0 303.116 1.151 20 50 DDGDRM CCc1cc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)no1 ZINC000833672048 605486559 /nfs/dbraw/zinc/48/65/59/605486559.db2.gz XECAXCBMHZQFJK-UHFFFAOYSA-N -1 0 318.289 1.017 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NN=c1[nH]c2ccccc2[nH]1 ZINC000833998266 605507525 /nfs/dbraw/zinc/50/75/25/605507525.db2.gz MOWOOPBLVNANRZ-JTQLQIEISA-N -1 0 317.349 1.929 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)N[C@H]1CCCCc2ccccc21 ZINC000834202514 605511913 /nfs/dbraw/zinc/51/19/13/605511913.db2.gz VOMUNBQTUPUHBJ-LBPRGKRZSA-N -1 0 320.349 1.052 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000824233503 605521852 /nfs/dbraw/zinc/52/18/52/605521852.db2.gz ZFKWPCCDNGVSMG-MNOVXSKESA-N -1 0 314.386 1.284 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)Cn1cnc2ccccc21 ZINC000833801316 605622124 /nfs/dbraw/zinc/62/21/24/605622124.db2.gz IYFMTSLJJCUCPS-JTQLQIEISA-N -1 0 317.349 1.575 20 50 DDGDRM N#Cc1cccc(NNC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000833977495 605716863 /nfs/dbraw/zinc/71/68/63/605716863.db2.gz ZXYOPVOQTUJZQV-HNNXBMFYSA-N -1 0 324.340 1.880 20 50 DDGDRM O=C([O-])NCCCC(=O)NNc1ccccc1Br ZINC000834232788 605718214 /nfs/dbraw/zinc/71/82/14/605718214.db2.gz YHSPIRDNTPPUPF-UHFFFAOYSA-N -1 0 316.155 1.940 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NNc1ccc(F)cc1F ZINC000834048831 605723484 /nfs/dbraw/zinc/72/34/84/605723484.db2.gz TXMXIVWLUWJHMR-SECBINFHSA-N -1 0 303.290 1.461 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NNc1cccc2cnccc21 ZINC000834046785 605736689 /nfs/dbraw/zinc/73/66/89/605736689.db2.gz CTTHHSLVVUKFMC-CYBMUJFWSA-N -1 0 300.318 1.820 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1ccoc1 ZINC000834045978 605742560 /nfs/dbraw/zinc/74/25/60/605742560.db2.gz VFAVKMNBQRRYPV-DGCLKSJQSA-N -1 0 321.333 1.544 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CCSc2c(F)cccc21 ZINC000834227794 605747827 /nfs/dbraw/zinc/74/78/27/605747827.db2.gz NPABHFCPICTJOI-UHFFFAOYSA-N -1 0 311.338 1.800 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1C(=O)Nc2ccc(Cl)cc21 ZINC000834230250 605800278 /nfs/dbraw/zinc/80/02/78/605800278.db2.gz SLRAQLCMUUNJEX-UHFFFAOYSA-N -1 0 324.724 1.160 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@]2(C)CCCN(C(=O)[O-])C2)c(C)o1 ZINC000833898914 605847036 /nfs/dbraw/zinc/84/70/36/605847036.db2.gz SYNHRCFUXHNDFF-OAHLLOKOSA-N -1 0 323.349 1.438 20 50 DDGDRM O=C([O-])N[C@H](CNC(=O)NNc1c(F)cccc1F)C1CC1 ZINC000834142741 605942949 /nfs/dbraw/zinc/94/29/49/605942949.db2.gz HRGLKFBIWKPRSP-SNVBAGLBSA-N -1 0 314.292 1.637 20 50 DDGDRM O=C([O-])N[C@@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000834144744 605946539 /nfs/dbraw/zinc/94/65/39/605946539.db2.gz RKWQFVSRPZDUSH-NSHDSACASA-N -1 0 323.309 1.267 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000834045540 605990659 /nfs/dbraw/zinc/99/06/59/605990659.db2.gz QQBUDDBCPINYHK-UHFFFAOYSA-N -1 0 320.305 1.845 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc[nH]1 ZINC000826445596 608626034 /nfs/dbraw/zinc/62/60/34/608626034.db2.gz AQKOLERKNDWSTF-UHFFFAOYSA-N -1 0 304.701 1.000 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(C)o1 ZINC000832864945 600870414 /nfs/dbraw/zinc/87/04/14/600870414.db2.gz XSRJTAYRTGHOEU-MNOVXSKESA-N -1 0 308.334 1.548 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000833185593 600870830 /nfs/dbraw/zinc/87/08/30/600870830.db2.gz XWMBTHKIYDVQMJ-VHSXEESVSA-N -1 0 307.306 1.929 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000833185591 600871012 /nfs/dbraw/zinc/87/10/12/600871012.db2.gz XWMBTHKIYDVQMJ-UWVGGRQHSA-N -1 0 307.306 1.929 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)C(=O)[O-] ZINC000833016591 601714119 /nfs/dbraw/zinc/71/41/19/601714119.db2.gz YZOIEDUJWWDBKR-UHFFFAOYSA-N -1 0 301.774 1.579 20 50 DDGDRM COCCOC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000831757774 602095377 /nfs/dbraw/zinc/09/53/77/602095377.db2.gz WVHIUHYYQXSQTA-GJSJWPQCSA-N -1 0 319.313 1.635 20 50 DDGDRM O=C([O-])NNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000832748693 603219155 /nfs/dbraw/zinc/21/91/55/603219155.db2.gz QUAUQHSEMJVHKN-UHFFFAOYSA-N -1 0 312.232 1.591 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CN(CC2CC2)C(=O)[O-])c(C)o1 ZINC000829957196 603222096 /nfs/dbraw/zinc/22/20/96/603222096.db2.gz ZKXSWACYAZOFTR-UHFFFAOYSA-N -1 0 309.322 1.047 20 50 DDGDRM CC(C)(CCC(=O)NNc1ccncc1Cl)NC(=O)[O-] ZINC000823890563 603804259 /nfs/dbraw/zinc/80/42/59/603804259.db2.gz UIAZDMMJGHAMNX-UHFFFAOYSA-N -1 0 300.746 1.426 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@H](CNC(=O)[O-])CC(C)C)[nH]c1 ZINC000830395973 603999423 /nfs/dbraw/zinc/99/94/23/603999423.db2.gz QDBILLBYVQVJLW-NSHDSACASA-N -1 0 309.370 1.698 20 50 DDGDRM O=C([O-])N1CC[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000831743033 604005342 /nfs/dbraw/zinc/00/53/42/604005342.db2.gz ZWSNYDYOBXZFBZ-SSDOTTSWSA-N -1 0 301.705 1.922 20 50 DDGDRM CC(=NNC(=O)Cc1cccnc1)[C@@H]1CCCCN1C(=O)[O-] ZINC000823528917 604087030 /nfs/dbraw/zinc/08/70/30/604087030.db2.gz YUFAAGLJLNGPCR-ZDUSSCGKSA-N -1 0 304.350 1.649 20 50 DDGDRM COCCO[C@H](C)C(=O)NN=C(C)[C@H]1CCCCN1C(=O)[O-] ZINC000828996859 604088472 /nfs/dbraw/zinc/08/84/72/604088472.db2.gz YAGFDFPKMPEIMU-VXGBXAGGSA-N -1 0 315.370 1.063 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNc1ccc(F)c(F)c1F ZINC000824869568 604218658 /nfs/dbraw/zinc/21/86/58/604218658.db2.gz YLYONNLZKMOVGR-LURJTMIESA-N -1 0 305.256 1.793 20 50 DDGDRM CCN(CC)c1cc[nH]c(=NNC(=O)CC(C)(C)NC(=O)[O-])n1 ZINC000827052070 604272281 /nfs/dbraw/zinc/27/22/81/604272281.db2.gz MAMLSUTYDXEXKO-UHFFFAOYSA-N -1 0 324.385 1.202 20 50 DDGDRM CC(=O)c1c(C)[nH]c(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1C ZINC000833400848 604799921 /nfs/dbraw/zinc/79/99/21/604799921.db2.gz OCAUWYJYZNXPJM-UHFFFAOYSA-N -1 0 316.317 1.684 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000823760017 605295006 /nfs/dbraw/zinc/29/50/06/605295006.db2.gz NMLZFHUYEBKOJK-UHFFFAOYSA-N -1 0 307.350 1.755 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccn(-c2ccccc2)n1 ZINC000834228665 605363764 /nfs/dbraw/zinc/36/37/64/605363764.db2.gz NYWAZSLDCHRBMW-UHFFFAOYSA-N -1 0 315.333 1.370 20 50 DDGDRM CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1cnn(C)c1 ZINC000824760004 605478199 /nfs/dbraw/zinc/47/81/99/605478199.db2.gz RNTLCPHRMXVTAZ-CYBMUJFWSA-N -1 0 321.381 1.839 20 50 DDGDRM N#Cc1ccc(NNC(=O)CC[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000833975249 605533109 /nfs/dbraw/zinc/53/31/09/605533109.db2.gz MCGXVRHHHNWLKI-LBPRGKRZSA-N -1 0 302.334 1.781 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1c(Cl)nc2sccn21 ZINC000833385016 605587279 /nfs/dbraw/zinc/58/72/79/605587279.db2.gz RBYYPCJGQCWQOM-UHFFFAOYSA-N -1 0 315.742 1.157 20 50 DDGDRM Cc1ccc(-c2nc(C=NNC(=O)NCC(=O)[O-])cs2)cc1 ZINC000833746558 605592579 /nfs/dbraw/zinc/59/25/79/605592579.db2.gz KIXNBYXANPEPNQ-UHFFFAOYSA-N -1 0 318.358 1.836 20 50 DDGDRM CC1(C)CC(=NNC(=O)NCC(=O)[O-])c2ccc(F)cc2O1 ZINC000833555312 605594497 /nfs/dbraw/zinc/59/44/97/605594497.db2.gz JSGBVJQHWFARRV-UHFFFAOYSA-N -1 0 309.297 1.475 20 50 DDGDRM N#C/C(=C\c1ccc(F)cc1)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833961374 605642045 /nfs/dbraw/zinc/64/20/45/605642045.db2.gz QZBPFFUPLKOVJH-FMIVXFBMSA-N -1 0 317.320 1.991 20 50 DDGDRM O=C([O-])Nc1ccc(F)c(NC(=O)NNc2cnccn2)c1 ZINC000834262869 605658186 /nfs/dbraw/zinc/65/81/86/605658186.db2.gz YBPCKUTUKUAOCT-UHFFFAOYSA-N -1 0 306.257 1.854 20 50 DDGDRM O=C([O-])NNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000834251469 605677836 /nfs/dbraw/zinc/67/78/36/605677836.db2.gz WFLHMPWHBRLSSP-UHFFFAOYSA-N -1 0 306.322 1.663 20 50 DDGDRM O=C([O-])N1CCCC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000834050411 605715965 /nfs/dbraw/zinc/71/59/65/605715965.db2.gz YNFYUHJACLZORA-NSHDSACASA-N -1 0 308.294 1.570 20 50 DDGDRM N#Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000833974600 605718970 /nfs/dbraw/zinc/71/89/70/605718970.db2.gz KATAXSFHDQQVRT-DGCLKSJQSA-N -1 0 302.334 1.828 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cn2cc(Cl)ccc2n1 ZINC000834227046 605747179 /nfs/dbraw/zinc/74/71/79/605747179.db2.gz ITNUZCUQMWQDSH-UHFFFAOYSA-N -1 0 309.713 1.096 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cnc(-c2ccccc2)nc1 ZINC000834227381 605749100 /nfs/dbraw/zinc/74/91/00/605749100.db2.gz RAKNSNVRUWBROU-UHFFFAOYSA-N -1 0 313.317 1.251 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cn2cc(Cl)ccc2n1 ZINC000834228722 605797872 /nfs/dbraw/zinc/79/78/72/605797872.db2.gz OZFIQMDVXUAHQH-UHFFFAOYSA-N -1 0 323.740 1.486 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1cccc(C(F)(F)F)n1)C1CC1 ZINC000834000944 605989505 /nfs/dbraw/zinc/98/95/05/605989505.db2.gz CVMNPRJNRYTCMP-UHFFFAOYSA-N -1 0 318.255 1.686 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC1=NNC(=O)Cc1ccccn1 ZINC000834181608 606080463 /nfs/dbraw/zinc/08/04/63/606080463.db2.gz GRRYMANBYUEAQK-LBPRGKRZSA-N -1 0 304.350 1.697 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000833149359 601427254 /nfs/dbraw/zinc/42/72/54/601427254.db2.gz NWPHZGWNJDNYHJ-ZDUSSCGKSA-N -1 0 315.285 1.655 20 50 DDGDRM N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)NCCc1ccccc1 ZINC000833064936 601444770 /nfs/dbraw/zinc/44/47/70/601444770.db2.gz YJEDSVNOAZUBCQ-JLHYYAGUSA-N -1 0 309.325 1.979 20 50 DDGDRM COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000832524041 601562819 /nfs/dbraw/zinc/56/28/19/601562819.db2.gz PECQKLJFBSKEBI-UHFFFAOYSA-N -1 0 318.241 1.916 20 50 DDGDRM CC(=O)NNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825879227 602059665 /nfs/dbraw/zinc/05/96/65/602059665.db2.gz MRVALRQELWKMRC-UHFFFAOYSA-N -1 0 305.212 1.576 20 50 DDGDRM CCOC(=O)NNC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000827326059 603435052 /nfs/dbraw/zinc/43/50/52/603435052.db2.gz BJSIBGVVXZEANV-NSHDSACASA-N -1 0 309.322 1.033 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNC(=O)c1cccc(Cl)c1 ZINC000823964352 603613198 /nfs/dbraw/zinc/61/31/98/603613198.db2.gz ATOXMRIAWWDFOU-UHFFFAOYSA-N -1 0 313.741 1.395 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000830555629 603673776 /nfs/dbraw/zinc/67/37/76/603673776.db2.gz VXWUIGYKKBBXGM-LLVKDONJSA-N -1 0 320.349 1.034 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])n1 ZINC000830026081 603834871 /nfs/dbraw/zinc/83/48/71/603834871.db2.gz WBAMZIUAQASYNA-QWRGUYRKSA-N -1 0 322.369 1.156 20 50 DDGDRM CN(C)c1cc(C(=O)NN=CC2CCN(C(=O)[O-])CC2)ccn1 ZINC000828055577 603860400 /nfs/dbraw/zinc/86/04/00/603860400.db2.gz IXAFEALPYNIVGU-UHFFFAOYSA-N -1 0 319.365 1.253 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2c(F)cccc2F)C1 ZINC000831907982 603904125 /nfs/dbraw/zinc/90/41/25/603904125.db2.gz MZFWHAZJHUBRAI-GFCCVEGCSA-N -1 0 303.240 1.500 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)C[C@@H]2CCCN2C(=O)[O-])n1 ZINC000830765980 603920619 /nfs/dbraw/zinc/92/06/19/603920619.db2.gz YFRPPQFCCFHMEW-QMMMGPOBSA-N -1 0 313.745 1.414 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000824867050 604003907 /nfs/dbraw/zinc/00/39/07/604003907.db2.gz AEYUBEUPXLBGDK-MRVPVSSYSA-N -1 0 319.321 1.024 20 50 DDGDRM COCCN(CC(=O)NNc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000828975259 604004269 /nfs/dbraw/zinc/00/42/69/604004269.db2.gz BFVGOOFDIVFRHG-UHFFFAOYSA-N -1 0 319.720 1.549 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1c[nH]c2ccccc12 ZINC000824868149 604065278 /nfs/dbraw/zinc/06/52/78/604065278.db2.gz JSCNUIGYEIZKRZ-VIFPVBQESA-N -1 0 318.333 1.175 20 50 DDGDRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(F)cc1 ZINC000832472787 604178651 /nfs/dbraw/zinc/17/86/51/604178651.db2.gz AGIWSWZFNSAWDB-JOYOIKCWSA-N -1 0 310.329 1.888 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000829141370 604315421 /nfs/dbraw/zinc/31/54/21/604315421.db2.gz CVOQMPFIPDWTRS-PSASIEDQSA-N -1 0 311.313 1.714 20 50 DDGDRM Cc1cc(NNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)ncn1 ZINC000830122415 604581358 /nfs/dbraw/zinc/58/13/58/604581358.db2.gz MCFUDFYXIWDNAZ-JQWIXIFHSA-N -1 0 321.381 1.644 20 50 DDGDRM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NNc1ccccn1 ZINC000834050388 605324933 /nfs/dbraw/zinc/32/49/33/605324933.db2.gz YJAJDLHWGRNIQY-AWEZNQCLSA-N -1 0 312.329 1.802 20 50 DDGDRM O=C([O-])NNC(=O)CSc1cccc(Br)c1 ZINC000834250161 605336413 /nfs/dbraw/zinc/33/64/13/605336413.db2.gz CRGYJSHWBYPMJG-UHFFFAOYSA-N -1 0 305.153 1.840 20 50 DDGDRM O=C([O-])NNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000834251362 605599793 /nfs/dbraw/zinc/59/97/93/605599793.db2.gz UKRQEZVPDAGPJG-UHFFFAOYSA-N -1 0 305.699 1.639 20 50 DDGDRM CCc1nn(C)cc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833677739 605718975 /nfs/dbraw/zinc/71/89/75/605718975.db2.gz ANXCOVIRCLNMPR-UHFFFAOYSA-N -1 0 303.322 1.829 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CCCOc2cc(F)ccc21 ZINC000834227776 605888882 /nfs/dbraw/zinc/88/88/82/605888882.db2.gz MKOLSGWBYKNFBI-UHFFFAOYSA-N -1 0 309.297 1.476 20 50 DDGDRM O=C([O-])NCCCCC(=O)NN=c1nc[nH]c2ccsc21 ZINC000834234857 605926225 /nfs/dbraw/zinc/92/62/25/605926225.db2.gz YIHJGOWKRRUAGT-UHFFFAOYSA-N -1 0 309.351 1.572 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)/C=C/Sc1ccccc1 ZINC000834231035 605976773 /nfs/dbraw/zinc/97/67/73/605976773.db2.gz KSESJZDVLZDKQG-CSKARUKUSA-N -1 0 323.374 1.488 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)Cc2ccccc2F)C1 ZINC000834013764 606053072 /nfs/dbraw/zinc/05/30/72/606053072.db2.gz UEXXYLMKVZWSNX-LLVKDONJSA-N -1 0 307.325 1.860 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC1=NNC(=O)Cc1ccncc1 ZINC000834180164 606080339 /nfs/dbraw/zinc/08/03/39/606080339.db2.gz ARJQJUATFWCBLO-LBPRGKRZSA-N -1 0 304.350 1.697 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)CC(F)(F)F ZINC000834274362 606082268 /nfs/dbraw/zinc/08/22/68/606082268.db2.gz KVVFMHYQNXDGTO-UHFFFAOYSA-N -1 0 319.239 1.419 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000826445496 608576524 /nfs/dbraw/zinc/57/65/24/608576524.db2.gz WSNGWOBLWIIQNE-VROVMSAKSA-N -1 0 319.756 1.404 20 50 DDGDRM Cn1cc(C=C(C#N)C(=O)[O-])c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360167 609303331 /nfs/dbraw/zinc/30/33/31/609303331.db2.gz ZMLHQPBUSAIYGF-IZZDOVSWSA-N -1 0 321.300 1.259 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000831972190 601108324 /nfs/dbraw/zinc/10/83/24/601108324.db2.gz FKNPOMITDBBMOL-UHFFFAOYSA-N -1 0 308.319 1.310 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2ccnc(C(=O)[O-])c2)c(C)o1 ZINC000832864484 601270306 /nfs/dbraw/zinc/27/03/06/601270306.db2.gz IWTZUAWHCBVYAA-UHFFFAOYSA-N -1 0 303.274 1.064 20 50 DDGDRM CN(C)c1cccc(C(=O)NN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000830643567 601453491 /nfs/dbraw/zinc/45/34/91/601453491.db2.gz KEFKAQBMWHAJRB-HNNXBMFYSA-N -1 0 313.357 1.813 20 50 DDGDRM CCc1[nH]c(C(=O)NNc2ccncc2Cl)c(C)c1C(=O)[O-] ZINC000830197086 601817932 /nfs/dbraw/zinc/81/79/32/601817932.db2.gz QYRNUMOEXDEYJL-UHFFFAOYSA-N -1 0 322.752 1.811 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc2cccnc21 ZINC000827303652 602132300 /nfs/dbraw/zinc/13/23/00/602132300.db2.gz HHNJCKZWJNLMME-SECBINFHSA-N -1 0 301.302 1.107 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@H](C)CC(=O)[O-])c2ccccc2n1 ZINC000832864578 602266418 /nfs/dbraw/zinc/26/64/18/602266418.db2.gz NZNBUQKRXBQGCO-SECBINFHSA-N -1 0 315.329 1.415 20 50 DDGDRM O=C(C[C@@H]1CCCN1C(=O)[O-])NNc1ccccc1[N+](=O)[O-] ZINC000831340245 603215531 /nfs/dbraw/zinc/21/55/31/603215531.db2.gz USHTYMWOFQTYCH-VIFPVBQESA-N -1 0 308.294 1.570 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830555771 603435358 /nfs/dbraw/zinc/43/53/58/603435358.db2.gz ZJROJWJEWOIHHN-WDEREUQCSA-N -1 0 305.334 1.192 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000832609259 603514901 /nfs/dbraw/zinc/51/49/01/603514901.db2.gz SSSDKMAJMVUNJO-UHFFFAOYSA-N -1 0 317.704 1.288 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNc2cnnc3ccccc32)C1 ZINC000832280363 603620293 /nfs/dbraw/zinc/62/02/93/603620293.db2.gz UXSQZPIFIFUURG-UWVGGRQHSA-N -1 0 315.333 1.509 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNC(=O)c2cccc(Cl)c2)C1 ZINC000831366578 603631849 /nfs/dbraw/zinc/63/18/49/603631849.db2.gz OVELOACJWUKHKJ-UHFFFAOYSA-N -1 0 311.725 1.101 20 50 DDGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829226259 603965522 /nfs/dbraw/zinc/96/55/22/603965522.db2.gz XGRDJBIHJCVJJS-BDAKNGLRSA-N -1 0 324.289 1.945 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNC(=O)c1ccoc1 ZINC000832357234 603972671 /nfs/dbraw/zinc/97/26/71/603972671.db2.gz GSRDXBRBNFQGLP-NWDGAFQWSA-N -1 0 323.349 1.647 20 50 DDGDRM O=C([O-])N1CC[C@@H](NC(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000831742722 604273241 /nfs/dbraw/zinc/27/32/41/604273241.db2.gz ONCMRPVODKNMKV-SSDOTTSWSA-N -1 0 322.350 1.070 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)c1 ZINC000829141336 604316021 /nfs/dbraw/zinc/31/60/21/604316021.db2.gz BTOBQARQSVBEAQ-AWEZNQCLSA-N -1 0 311.313 1.667 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NN=c2[nH]cccc2[N+](=O)[O-])cc1F ZINC000833148196 604316091 /nfs/dbraw/zinc/31/60/91/604316091.db2.gz DCSMNCQVVWQAIM-UHFFFAOYSA-N -1 0 320.236 1.584 20 50 DDGDRM Cc1cccc(NC(=S)NNC(=O)C2(NC(=O)[O-])CC2)c1C ZINC000830522631 604642552 /nfs/dbraw/zinc/64/25/52/604642552.db2.gz TZLGJXICHXGUAJ-UHFFFAOYSA-N -1 0 322.390 1.421 20 50 DDGDRM CC(C)Oc1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)ccn1 ZINC000833505864 604803247 /nfs/dbraw/zinc/80/32/47/604803247.db2.gz VHMBWODUXWQNRH-UHFFFAOYSA-N -1 0 316.317 1.719 20 50 DDGDRM O=C([O-])c1ccc(=NNC(=O)Cc2n[nH]c3ccccc23)[nH]c1 ZINC000833765641 604803739 /nfs/dbraw/zinc/80/37/39/604803739.db2.gz UJKSHBKIGVLTMR-UHFFFAOYSA-N -1 0 311.301 1.342 20 50 DDGDRM CCc1ccc(-c2noc([C@@H](C)NC(=O)NNC(=O)[O-])n2)cc1 ZINC000827570234 604822914 /nfs/dbraw/zinc/82/29/14/604822914.db2.gz SDWVFXJKWKLYPT-MRVPVSSYSA-N -1 0 319.321 1.842 20 50 DDGDRM CC(C)(CC(=O)NN=c1nc[nH]c2ccsc21)NC(=O)[O-] ZINC000823881817 605124635 /nfs/dbraw/zinc/12/46/35/605124635.db2.gz KXSGUIWSVDASHS-UHFFFAOYSA-N -1 0 309.351 1.571 20 50 DDGDRM COc1ccc(NNC(=O)c2cnc(C(=O)[O-])cn2)cc1Cl ZINC000833733459 605244535 /nfs/dbraw/zinc/24/45/35/605244535.db2.gz QFFZTMGNJNFDGY-UHFFFAOYSA-N -1 0 322.708 1.594 20 50 DDGDRM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NNc1ccccn1 ZINC000834047514 605323811 /nfs/dbraw/zinc/32/38/11/605323811.db2.gz GSVJKGOVHNJVOS-TUAOUCFPSA-N -1 0 304.350 1.836 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000833385394 605589996 /nfs/dbraw/zinc/58/99/96/605589996.db2.gz XPHYYFWQVSQKRR-UHFFFAOYSA-N -1 0 319.239 1.693 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-] ZINC000823755099 605635804 /nfs/dbraw/zinc/63/58/04/605635804.db2.gz WSRNPYFIGXJCJE-LBPRGKRZSA-N -1 0 319.361 1.457 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@]2(C)CCCN2C(=O)[O-])c(C)o1 ZINC000833898329 605673272 /nfs/dbraw/zinc/67/32/72/605673272.db2.gz MUMCJHAUALHGHQ-CQSZACIVSA-N -1 0 309.322 1.190 20 50 DDGDRM O=C([O-])NCc1nc(C(=O)NNc2ccccc2F)cs1 ZINC000834248961 605718277 /nfs/dbraw/zinc/71/82/77/605718277.db2.gz LAYMSGZGXJFTAL-UHFFFAOYSA-N -1 0 310.310 1.807 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2ccccc2Cl)C1 ZINC000834085153 605723197 /nfs/dbraw/zinc/72/31/97/605723197.db2.gz QKOVOZBVPGXNAM-GFCCVEGCSA-N -1 0 301.705 1.875 20 50 DDGDRM CC(=O)N1CCC(NC(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833391949 605738522 /nfs/dbraw/zinc/73/85/22/605738522.db2.gz XLUUEIMNFMFPQF-UHFFFAOYSA-N -1 0 320.349 1.022 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NNC(=O)NCC1CC1 ZINC000834027807 605742775 /nfs/dbraw/zinc/74/27/75/605742775.db2.gz WLSMZPSRNTZUMF-YPMHNXCESA-N -1 0 324.381 1.231 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cccc(-n2cccn2)c1 ZINC000834229056 605798082 /nfs/dbraw/zinc/79/80/82/605798082.db2.gz ZGPSSFAUDPUJFH-UHFFFAOYSA-N -1 0 315.333 1.370 20 50 DDGDRM O=C([O-])NNC(=O)c1cccc(F)c1I ZINC000834249921 605801383 /nfs/dbraw/zinc/80/13/83/605801383.db2.gz APUDIZLIIHZHCI-UHFFFAOYSA-N -1 0 324.049 1.343 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)COc1ccccc1F ZINC000834170278 605857012 /nfs/dbraw/zinc/85/70/12/605857012.db2.gz SQBMRWFMZJDYIQ-JTQLQIEISA-N -1 0 309.297 1.497 20 50 DDGDRM Cc1cccnc1C(=O)NNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833909916 605926312 /nfs/dbraw/zinc/92/63/12/605926312.db2.gz GHHIYLMVYUIPQN-UHFFFAOYSA-N -1 0 314.301 1.555 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(F)c(Cl)c1 ZINC000834230151 605976333 /nfs/dbraw/zinc/97/63/33/605976333.db2.gz SRLDMDWVYNCRBU-UHFFFAOYSA-N -1 0 317.704 1.288 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C1(c2ccccc2F)CC1 ZINC000834228999 605977743 /nfs/dbraw/zinc/97/77/43/605977743.db2.gz XAHRPGSOSYVUET-UHFFFAOYSA-N -1 0 323.324 1.053 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000834232021 605978494 /nfs/dbraw/zinc/97/84/94/605978494.db2.gz VGNRVOMFNOTYLL-RYUDHWBXSA-N -1 0 311.382 1.398 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1cccc2cnccc21 ZINC000834136402 606078991 /nfs/dbraw/zinc/07/89/91/606078991.db2.gz RVVIVDZUYPCZPO-LLVKDONJSA-N -1 0 324.287 1.969 20 50 DDGDRM N#Cc1ccc(C(=O)NN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000833072293 600745809 /nfs/dbraw/zinc/74/58/09/600745809.db2.gz RDHHDFVNPCQMSG-CQSZACIVSA-N -1 0 313.288 1.758 20 50 DDGDRM N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000833073936 600932461 /nfs/dbraw/zinc/93/24/61/600932461.db2.gz KMUMAQWXESIXED-QWHCGFSZSA-N -1 0 315.329 1.210 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)c2ccccc2NC(=O)[O-])n1 ZINC000831972975 601108093 /nfs/dbraw/zinc/10/80/93/601108093.db2.gz UYBSKSPYSMICOE-UHFFFAOYSA-N -1 0 317.305 1.640 20 50 DDGDRM N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833061353 601447489 /nfs/dbraw/zinc/44/74/89/601447489.db2.gz AJTBDQKGNQBHME-MBNGJLNHSA-N -1 0 305.265 1.958 20 50 DDGDRM COc1cc(OC)cc([C@H](NNC(=O)CC(C)(C)C)C(=O)[O-])c1 ZINC000832057335 602171921 /nfs/dbraw/zinc/17/19/21/602171921.db2.gz OISWZRAACIUQAB-AWEZNQCLSA-N -1 0 324.377 1.887 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)NC(=O)[O-] ZINC000824671469 603357104 /nfs/dbraw/zinc/35/71/04/603357104.db2.gz HOXOBYTYEDOYSC-SNVBAGLBSA-N -1 0 315.329 1.647 20 50 DDGDRM Cc1ccc(NCC(=O)NN=CC2CCN(C(=O)[O-])CC2)cc1 ZINC000830396249 603855481 /nfs/dbraw/zinc/85/54/81/603855481.db2.gz WFINLYMPEFZOIA-UHFFFAOYSA-N -1 0 318.377 1.899 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830553537 604065457 /nfs/dbraw/zinc/06/54/57/604065457.db2.gz JASNRSMGJXVFAC-UHFFFAOYSA-N -1 0 305.334 1.336 20 50 DDGDRM CC(=NNC(=O)Cn1nc(C)cc1C)[C@@H]1CCCCN1C(=O)[O-] ZINC000823528318 604087125 /nfs/dbraw/zinc/08/71/25/604087125.db2.gz ROLGZVHGGXFEKQ-ZDUSSCGKSA-N -1 0 321.381 1.525 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CNC(=O)NNc1cccc(F)c1F ZINC000831647988 604122225 /nfs/dbraw/zinc/12/22/25/604122225.db2.gz SIJNIXQDPIEJJY-QMMMGPOBSA-N -1 0 314.292 1.733 20 50 DDGDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1 ZINC000825229955 604278092 /nfs/dbraw/zinc/27/80/92/604278092.db2.gz XIMPSLYKEMUQNX-NXEZZACHSA-N -1 0 314.386 1.141 20 50 DDGDRM Cc1ccc2c(c1)OCCCC2=NNC(=O)NCCNC(=O)[O-] ZINC000830446547 604289805 /nfs/dbraw/zinc/28/98/05/604289805.db2.gz QTODCFJOJCQGEN-UHFFFAOYSA-N -1 0 320.349 1.439 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000830568184 604497004 /nfs/dbraw/zinc/49/70/04/604497004.db2.gz YWBFLIMOZRQDMN-CYBMUJFWSA-N -1 0 319.361 1.217 20 50 DDGDRM C[C@H](NC(=O)[O-])[C@H]1CN(/C(=C/C#N)c2ccccc2)CCO1 ZINC000825292704 604605955 /nfs/dbraw/zinc/60/59/55/604605955.db2.gz BWWIWFFGHPNIMK-ARXJHVDZSA-N -1 0 301.346 1.908 20 50 DDGDRM O=C([O-])N1CC(=NNC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000831731148 604695649 /nfs/dbraw/zinc/69/56/49/604695649.db2.gz RTTMOXSOXPPGJD-UHFFFAOYSA-N -1 0 305.319 1.218 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2ccccc2)cc1F ZINC000833149187 604807140 /nfs/dbraw/zinc/80/71/40/604807140.db2.gz HMEMVCXDPSYQFR-UHFFFAOYSA-N -1 0 302.261 1.599 20 50 DDGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1cccc2cnccc21 ZINC000833468258 604938957 /nfs/dbraw/zinc/93/89/57/604938957.db2.gz NUHFLHRNKKRBOC-CYBMUJFWSA-N -1 0 302.334 1.970 20 50 DDGDRM C[C@@H](Sc1nncn1C)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833545490 605283503 /nfs/dbraw/zinc/28/35/03/605283503.db2.gz SQHIPCGBIZXZEA-MRVPVSSYSA-N -1 0 321.362 1.137 20 50 DDGDRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)N1CCOCC1 ZINC000834045723 605723360 /nfs/dbraw/zinc/72/33/60/605723360.db2.gz SRPVEZUPRHDALY-YPMHNXCESA-N -1 0 324.381 1.327 20 50 DDGDRM C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833537257 605735402 /nfs/dbraw/zinc/73/54/02/605735402.db2.gz ZEIRHJGUSLYWDV-MFKMUULPSA-N -1 0 308.334 1.412 20 50 DDGDRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000834048856 605741716 /nfs/dbraw/zinc/74/17/16/605741716.db2.gz UPHVWKSHBHZTGB-OIBJUYFYSA-N -1 0 317.704 1.035 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cnc([C@H]2CCCO2)s1 ZINC000834227286 605747078 /nfs/dbraw/zinc/74/70/78/605747078.db2.gz QIGSGCZDBDCFBG-SECBINFHSA-N -1 0 312.351 1.102 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000834167202 605856411 /nfs/dbraw/zinc/85/64/11/605856411.db2.gz APVRITXEBRJINJ-SNVBAGLBSA-N -1 0 306.278 1.501 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)COc1ccccc1F ZINC000834170279 605857291 /nfs/dbraw/zinc/85/72/91/605857291.db2.gz SQBMRWFMZJDYIQ-SNVBAGLBSA-N -1 0 309.297 1.497 20 50 DDGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2ccnc(F)c2)CC1 ZINC000834047351 605873648 /nfs/dbraw/zinc/87/36/48/605873648.db2.gz FDNXRBCECKYNQY-JTQLQIEISA-N -1 0 308.313 1.444 20 50 DDGDRM Cc1cccnc1C(=O)NNC(=O)c1ccccc1NC(=O)[O-] ZINC000833910688 605926071 /nfs/dbraw/zinc/92/60/71/605926071.db2.gz MUHDTUWNWRCWEW-UHFFFAOYSA-N -1 0 314.301 1.555 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1ccoc1 ZINC000833832469 606026451 /nfs/dbraw/zinc/02/64/51/606026451.db2.gz WIWBQAIADRHBNJ-HZMBPMFUSA-N -1 0 309.322 1.257 20 50 DDGDRM CCC=C(C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825219886 608624287 /nfs/dbraw/zinc/62/42/87/608624287.db2.gz NLVLCMOQHGEJGJ-DAXSKMNVSA-N -1 0 307.745 1.715 20 50 DDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(Cl)nc1 ZINC000826801199 600813115 /nfs/dbraw/zinc/81/31/15/600813115.db2.gz WXTDGKKETPKGDQ-SECBINFHSA-N -1 0 300.746 1.860 20 50 DDGDRM COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832588978 600943060 /nfs/dbraw/zinc/94/30/60/600943060.db2.gz JBQLLOJMDOXLBI-MNOVXSKESA-N -1 0 320.345 1.347 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000830232142 601247767 /nfs/dbraw/zinc/24/77/67/601247767.db2.gz BIERQQSYLNOATA-UHFFFAOYSA-N -1 0 313.313 1.417 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000830555165 603236026 /nfs/dbraw/zinc/23/60/26/603236026.db2.gz QXYCOLQFTRQZHN-UHFFFAOYSA-N -1 0 305.334 1.146 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000827577038 603632734 /nfs/dbraw/zinc/63/27/34/603632734.db2.gz JZASTQULAOHMEL-UHFFFAOYSA-N -1 0 305.334 1.010 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000830871236 603721965 /nfs/dbraw/zinc/72/19/65/603721965.db2.gz RBGRWZOJRATIPL-MRVPVSSYSA-N -1 0 316.789 1.515 20 50 DDGDRM CN(C)Cc1ccc(C(=O)NN=CC2CCN(C(=O)[O-])CC2)o1 ZINC000828042678 603857402 /nfs/dbraw/zinc/85/74/02/603857402.db2.gz LZOLKSDQHNHNPL-UHFFFAOYSA-N -1 0 322.365 1.447 20 50 DDGDRM C[C@H](NC(=O)NNC(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000825171427 603867249 /nfs/dbraw/zinc/86/72/49/603867249.db2.gz KSHCPGUTMMCHDM-QMMMGPOBSA-N -1 0 305.294 1.203 20 50 DDGDRM Cc1ccc(CNC(=O)NNC(=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000830317084 603878590 /nfs/dbraw/zinc/87/85/90/603878590.db2.gz LPOCUUWTLBPQJC-LBPRGKRZSA-N -1 0 323.349 1.535 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNC(=O)NC2CCCCC2)C1 ZINC000832279956 603938799 /nfs/dbraw/zinc/93/87/99/603938799.db2.gz SZKXWEQBPGUVGD-MWLCHTKSSA-N -1 0 312.370 1.086 20 50 DDGDRM CCC[C@@](C)(NC(=O)[O-])C(=O)NN=c1nc(OC)cc(C)[nH]1 ZINC000826719839 603967232 /nfs/dbraw/zinc/96/72/32/603967232.db2.gz CBKZOZIIMCAJOE-CYBMUJFWSA-N -1 0 311.342 1.063 20 50 DDGDRM COCCO[C@H](C)C(=O)NN=C(C)[C@@H]1CCCCN1C(=O)[O-] ZINC000828996856 604088902 /nfs/dbraw/zinc/08/89/02/604088902.db2.gz YAGFDFPKMPEIMU-NEPJUHHUSA-N -1 0 315.370 1.063 20 50 DDGDRM C[C@H](CC(=O)NN=c1nccc[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680278 604299841 /nfs/dbraw/zinc/29/98/41/604299841.db2.gz TUGFHTBEGOCYIZ-MNOVXSKESA-N -1 0 307.354 1.336 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccoc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824672187 604321845 /nfs/dbraw/zinc/32/18/45/604321845.db2.gz SODCEMXHGJMWDN-MNOVXSKESA-N -1 0 323.349 1.457 20 50 DDGDRM C[C@H](Oc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833540669 604800969 /nfs/dbraw/zinc/80/09/69/604800969.db2.gz OPFMGJXFSKWVLG-JTQLQIEISA-N -1 0 301.302 1.690 20 50 DDGDRM COc1ccccc1C(=O)NN[C@@H](C(=O)[O-])c1cccnc1 ZINC000832588192 605001022 /nfs/dbraw/zinc/00/10/22/605001022.db2.gz BJFQBEHBZHFRNU-CYBMUJFWSA-N -1 0 301.302 1.151 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccccc1O ZINC000833406207 605038111 /nfs/dbraw/zinc/03/81/11/605038111.db2.gz LPZZEZLENVABCT-JTQLQIEISA-N -1 0 301.302 1.603 20 50 DDGDRM CC(C)(CCC(=O)NN=c1nc[nH]c2ccsc21)NC(=O)[O-] ZINC000823889633 605124160 /nfs/dbraw/zinc/12/41/60/605124160.db2.gz AGZLTDRUMDYPDL-UHFFFAOYSA-N -1 0 323.378 1.961 20 50 DDGDRM CC(=O)NCCCCCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833397218 605281789 /nfs/dbraw/zinc/28/17/89/605281789.db2.gz IUFONNGJNSCNAD-UHFFFAOYSA-N -1 0 307.350 1.524 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)COCc1ccccc1 ZINC000833802538 605624976 /nfs/dbraw/zinc/62/49/76/605624976.db2.gz RXHCHQYBNOFRED-NSHDSACASA-N -1 0 307.350 1.742 20 50 DDGDRM Cn1cc(C=NNC(=O)CCCNC(=O)[O-])c(C(C)(C)C)n1 ZINC000833946059 605625746 /nfs/dbraw/zinc/62/57/46/605625746.db2.gz CVUIRUOEGBFIJG-UHFFFAOYSA-N -1 0 309.370 1.216 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000823755097 605635782 /nfs/dbraw/zinc/63/57/82/605635782.db2.gz WSRNPYFIGXJCJE-GFCCVEGCSA-N -1 0 319.361 1.457 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)CCc1ccccc1O ZINC000833454267 605706684 /nfs/dbraw/zinc/70/66/84/605706684.db2.gz IDKANZTXXVHKML-UHFFFAOYSA-N -1 0 322.361 1.363 20 50 DDGDRM CC(C)(C)CC(=O)NCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833422401 605734528 /nfs/dbraw/zinc/73/45/28/605734528.db2.gz GDLICMVROQROBL-UHFFFAOYSA-N -1 0 307.350 1.380 20 50 DDGDRM C[C@@H](NC(=O)[O-])C(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000833894949 605736856 /nfs/dbraw/zinc/73/68/56/605736856.db2.gz KYUZTLZSFRSKBW-RXMQYKEDSA-N -1 0 302.674 1.347 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)C1CCCC1 ZINC000834045599 605740235 /nfs/dbraw/zinc/74/02/35/605740235.db2.gz RFRXQWZSSNKJIL-JSGCOSHPSA-N -1 0 323.393 1.828 20 50 DDGDRM CO[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1(C)C ZINC000833719687 605747381 /nfs/dbraw/zinc/74/73/81/605747381.db2.gz SPTQNSCFECTPAF-NWDGAFQWSA-N -1 0 307.350 1.824 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(N2CCCCC2)s1 ZINC000834226993 605749089 /nfs/dbraw/zinc/74/90/89/605749089.db2.gz HDGCOSXBWYXDJI-UHFFFAOYSA-N -1 0 324.406 1.846 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000834171259 605857285 /nfs/dbraw/zinc/85/72/85/605857285.db2.gz XLZOXYVZKJZYEB-ZANVPECISA-N -1 0 319.317 1.119 20 50 DDGDRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2ccnc(F)c2)CC1 ZINC000834047353 605873535 /nfs/dbraw/zinc/87/35/35/605873535.db2.gz FDNXRBCECKYNQY-SNVBAGLBSA-N -1 0 308.313 1.444 20 50 DDGDRM CCCN(CCNC(=O)NNc1ccc(Cl)nc1)C(=O)[O-] ZINC000833855223 606015892 /nfs/dbraw/zinc/01/58/92/606015892.db2.gz QBYZCPINLRAATH-UHFFFAOYSA-N -1 0 315.761 1.751 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)Cc2ccc(F)cc2)C1 ZINC000834012697 606047762 /nfs/dbraw/zinc/04/77/62/606047762.db2.gz FUIUUYDDKAQSJT-GFCCVEGCSA-N -1 0 307.325 1.860 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccsc2)C1 ZINC000833119976 600955399 /nfs/dbraw/zinc/95/53/99/600955399.db2.gz KNPGLFVXGFNUCQ-WDEREUQCSA-N -1 0 310.375 1.329 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc2ccccc2n1 ZINC000827303978 602064217 /nfs/dbraw/zinc/06/42/17/602064217.db2.gz MWHQTTADPISTPK-SECBINFHSA-N -1 0 301.302 1.107 20 50 DDGDRM O=C(C[C@H]1CCCN1C(=O)[O-])NNc1ccccc1[N+](=O)[O-] ZINC000831340243 603215565 /nfs/dbraw/zinc/21/55/65/603215565.db2.gz USHTYMWOFQTYCH-SECBINFHSA-N -1 0 308.294 1.570 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000823754555 603338125 /nfs/dbraw/zinc/33/81/25/603338125.db2.gz OOLPKILFJRMJDQ-NSHDSACASA-N -1 0 307.350 1.231 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2ccc(F)c(F)c2F)C1 ZINC000832277802 603558339 /nfs/dbraw/zinc/55/83/39/603558339.db2.gz KYUGHNHJGWGFAA-RQJHMYQMSA-N -1 0 317.267 1.983 20 50 DDGDRM COCCCNC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000828950461 603820281 /nfs/dbraw/zinc/82/02/81/603820281.db2.gz JFNBXXSRIMSBCG-UHFFFAOYSA-N -1 0 320.349 1.397 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])[nH]c1 ZINC000830396370 603868329 /nfs/dbraw/zinc/86/83/29/603868329.db2.gz ZVKZSWBCRDLEFE-RYUDHWBXSA-N -1 0 321.381 1.843 20 50 DDGDRM CC(C)CC(=O)NNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824170066 603878921 /nfs/dbraw/zinc/87/89/21/603878921.db2.gz DKJDFAGDTVFFSK-FGWVZKOKSA-N -1 0 312.370 1.036 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)CCC(C)(C)NC(=O)[O-])n1 ZINC000829102447 603968045 /nfs/dbraw/zinc/96/80/45/603968045.db2.gz YQDORCRYWYVIFJ-UHFFFAOYSA-N -1 0 311.342 1.063 20 50 DDGDRM CCN(CCNC(=O)NNc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000827145718 604033870 /nfs/dbraw/zinc/03/38/70/604033870.db2.gz CIDROXCUJRSCQO-UHFFFAOYSA-N -1 0 320.271 1.730 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000831366207 604068754 /nfs/dbraw/zinc/06/87/54/604068754.db2.gz FATDHXCTCRFDJD-UHFFFAOYSA-N -1 0 301.705 1.922 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830554707 604074849 /nfs/dbraw/zinc/07/48/49/604074849.db2.gz OTSUMELUPBKDEK-NSHDSACASA-N -1 0 320.349 1.034 20 50 DDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)NCc1ccco1 ZINC000832845451 604295300 /nfs/dbraw/zinc/29/53/00/604295300.db2.gz FQOMRNAESZESSM-UHFFFAOYSA-N -1 0 320.305 1.067 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000830559339 604497185 /nfs/dbraw/zinc/49/71/85/604497185.db2.gz JKGPGYPTPQSTEN-MRXNPFEDSA-N -1 0 319.361 1.075 20 50 DDGDRM Cc1ccc(-c2nc(SCC(=O)NNC(=O)[O-])n[nH]2)cc1 ZINC000830160496 604641013 /nfs/dbraw/zinc/64/10/13/604641013.db2.gz RBMVBYPXZMYUEM-UHFFFAOYSA-N -1 0 307.335 1.171 20 50 DDGDRM O=C([O-])NNC(=O)c1cc(I)ccc1F ZINC000832748811 604826617 /nfs/dbraw/zinc/82/66/17/604826617.db2.gz VCWFWDKMBINHNF-UHFFFAOYSA-N -1 0 324.049 1.343 20 50 DDGDRM Cc1ccc(F)c(NC(=S)NNC(=O)[C@H](C)NC(=O)[O-])c1 ZINC000833749400 604950454 /nfs/dbraw/zinc/95/04/54/604950454.db2.gz JTLKVZYIEOGZBE-ZETCQYMHSA-N -1 0 314.342 1.108 20 50 DDGDRM CC(C)[C@@H](C(=O)NNc1ccccc1C(=O)[O-])N1CCCC1=O ZINC000833465241 605259964 /nfs/dbraw/zinc/25/99/64/605259964.db2.gz IWCQZFRNBIJFAP-AWEZNQCLSA-N -1 0 319.361 1.475 20 50 DDGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc(N)cc1 ZINC000824759660 605457286 /nfs/dbraw/zinc/45/72/86/605457286.db2.gz NZDSHSMKYRNJFY-ZDUSSCGKSA-N -1 0 304.350 1.907 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NN=c1cc(Cl)cc[nH]1 ZINC000834048827 605473533 /nfs/dbraw/zinc/47/35/33/605473533.db2.gz TUDKRJJRRYJSQK-ZETCQYMHSA-N -1 0 302.743 1.231 20 50 DDGDRM CC(C)(C)OC(=O)N[C@H](CC(=O)NNC(=O)[O-])c1ccccc1 ZINC000823810572 605564269 /nfs/dbraw/zinc/56/42/69/605564269.db2.gz VCOOXVPWRWIGRG-LLVKDONJSA-N -1 0 323.349 1.941 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000833455536 605717706 /nfs/dbraw/zinc/71/77/06/605717706.db2.gz HNUFXTRCIVTCQX-UHFFFAOYSA-N -1 0 318.333 1.670 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NNc1cc(F)c(F)cc1F ZINC000831742805 605738936 /nfs/dbraw/zinc/73/89/36/605738936.db2.gz RRZGMEPTFCGFIN-JTQLQIEISA-N -1 0 303.240 1.689 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F ZINC000834174155 605740154 /nfs/dbraw/zinc/74/01/54/605740154.db2.gz URSMETMZFQEWRF-QUBYGPBYSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NNC(=O)c1ccc[nH]1 ZINC000834046152 605741218 /nfs/dbraw/zinc/74/12/18/605741218.db2.gz YEJOVAYSXCZQDA-MFKMUULPSA-N -1 0 320.349 1.279 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C(Cc1ccccc1)C(F)(F)F ZINC000834227969 605750218 /nfs/dbraw/zinc/75/02/18/605750218.db2.gz VFMGJVSZUMNDTA-UHFFFAOYSA-N -1 0 317.267 1.921 20 50 DDGDRM N#Cc1ccc2[nH]cc(C=NNC(=O)CCCNC(=O)[O-])c2c1 ZINC000833976636 605794973 /nfs/dbraw/zinc/79/49/73/605794973.db2.gz JLABLXRCYJFKKD-UHFFFAOYSA-N -1 0 313.317 1.537 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cc2ccccc2[nH]c1=O ZINC000834229063 605797881 /nfs/dbraw/zinc/79/78/81/605797881.db2.gz ZKHWSJLOONCZHS-UHFFFAOYSA-N -1 0 316.317 1.438 20 50 DDGDRM Cn1cnc2cc(C=NNC(=O)CCCNC(=O)[O-])ccc21 ZINC000833959201 605798607 /nfs/dbraw/zinc/79/86/07/605798607.db2.gz PYBRPXVNXBEKMC-UHFFFAOYSA-N -1 0 303.322 1.071 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cncc2ccccc12 ZINC000834228507 605799748 /nfs/dbraw/zinc/79/97/48/605799748.db2.gz JPQIBKJPXVPFPN-UHFFFAOYSA-N -1 0 300.318 1.733 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2ccoc2)ccc1NC(=O)[O-] ZINC000829962193 605809566 /nfs/dbraw/zinc/80/95/66/605809566.db2.gz VRJSZYTYXZMEHD-UHFFFAOYSA-N -1 0 303.274 1.753 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000834167922 605857287 /nfs/dbraw/zinc/85/72/87/605857287.db2.gz DTFNQFGQKLAOBH-JTQLQIEISA-N -1 0 306.278 1.501 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)NCCc1cccs1 ZINC000834169531 605859239 /nfs/dbraw/zinc/85/92/39/605859239.db2.gz NGTRFFUCIWVDLF-JTQLQIEISA-N -1 0 310.379 1.766 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C1(c2cccc(F)c2)CC1 ZINC000834228613 605977097 /nfs/dbraw/zinc/97/70/97/605977097.db2.gz MBRNDCGMAYEIEF-UHFFFAOYSA-N -1 0 323.324 1.053 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834134387 606079244 /nfs/dbraw/zinc/07/92/44/606079244.db2.gz IYLSNWSKMXELBY-QMMMGPOBSA-N -1 0 318.236 1.329 20 50 DDGDRM C#CCCCCC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000823838255 608300517 /nfs/dbraw/zinc/30/05/17/608300517.db2.gz MWHDKWWAWREBMD-UHFFFAOYSA-N -1 0 317.353 1.615 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)NCC(C)(C)C(=O)[O-] ZINC000832978595 601688195 /nfs/dbraw/zinc/68/81/95/601688195.db2.gz MYLDQLACXPQWLH-UHFFFAOYSA-N -1 0 308.338 1.442 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)NCc1ccc(Cl)cc1 ZINC000827304698 602266130 /nfs/dbraw/zinc/26/61/30/602266130.db2.gz ZGJSFFNZVPAGOT-MRVPVSSYSA-N -1 0 313.741 1.281 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)c2ccc(CNC(=O)[O-])o2)n1 ZINC000830026054 603281695 /nfs/dbraw/zinc/28/16/95/603281695.db2.gz VHDPMICEMXRRCM-UHFFFAOYSA-N -1 0 305.294 1.211 20 50 DDGDRM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NNC(=O)[O-])cc1 ZINC000830282126 603443297 /nfs/dbraw/zinc/44/32/97/603443297.db2.gz OBTCPQKGKPARIL-STQMWFEESA-N -1 0 307.350 1.945 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NN=c1nccc[nH]1)Cc1ccccc1 ZINC000832106028 603458491 /nfs/dbraw/zinc/45/84/91/603458491.db2.gz UDAUDIBNYVJLMK-LBPRGKRZSA-N -1 0 315.333 1.189 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)C1CCC1)Cc1ccccc1 ZINC000832105232 603595472 /nfs/dbraw/zinc/59/54/72/603595472.db2.gz LPXNLHQWVJUQBG-CYBMUJFWSA-N -1 0 319.361 1.203 20 50 DDGDRM C[C@H](NC(=O)NNC(=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000825172052 603869570 /nfs/dbraw/zinc/86/95/70/603869570.db2.gz PIUZXCMCTBEXSZ-QMMMGPOBSA-N -1 0 305.294 1.203 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1cccc(Cl)c1 ZINC000824867464 604059784 /nfs/dbraw/zinc/05/97/84/604059784.db2.gz CFEHYMOKAOQQLL-QMMMGPOBSA-N -1 0 313.741 1.347 20 50 DDGDRM CC(=NNC(=O)Cc1ccncc1)[C@H]1CCCCN1C(=O)[O-] ZINC000823527390 604087327 /nfs/dbraw/zinc/08/73/27/604087327.db2.gz JNUSJASCMYBLEX-CYBMUJFWSA-N -1 0 304.350 1.649 20 50 DDGDRM CC(C)[C@@H](CNC(=O)NNc1ccc(Cl)nc1)NC(=O)[O-] ZINC000824123804 604143773 /nfs/dbraw/zinc/14/37/73/604143773.db2.gz SFSCQSXVCDBHBH-SECBINFHSA-N -1 0 315.761 1.653 20 50 DDGDRM CCN(CCNC(=O)NN=c1nc[nH]c2ccsc21)C(=O)[O-] ZINC000827145713 604268267 /nfs/dbraw/zinc/26/82/67/604268267.db2.gz CCZDCTOMZUHTSK-UHFFFAOYSA-N -1 0 324.366 1.317 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000829142969 604316398 /nfs/dbraw/zinc/31/63/98/604316398.db2.gz VZNJCDBTFVFJOQ-VIFPVBQESA-N -1 0 311.313 1.667 20 50 DDGDRM Cc1cc(-c2noc([C@@H](C)NC(=O)NNC(=O)[O-])n2)ccc1F ZINC000829888879 604823610 /nfs/dbraw/zinc/82/36/10/604823610.db2.gz JVLHZQUVMVNENN-SSDOTTSWSA-N -1 0 323.284 1.727 20 50 DDGDRM CN(CC(=O)NNc1ccccc1Br)C(=O)[O-] ZINC000833692636 604935775 /nfs/dbraw/zinc/93/57/75/604935775.db2.gz SQGFQJYTMPKBSN-UHFFFAOYSA-N -1 0 302.128 1.502 20 50 DDGDRM CC[C@H](NC(=O)[O-])C(=O)NNC(=S)Nc1cccc(C)c1C ZINC000827523904 605153867 /nfs/dbraw/zinc/15/38/67/605153867.db2.gz AMDKWAZVHZOQEM-JTQLQIEISA-N -1 0 324.406 1.667 20 50 DDGDRM C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833535671 605260306 /nfs/dbraw/zinc/26/03/06/605260306.db2.gz LMHASEBAOAYUIO-GHMZBOCLSA-N -1 0 308.334 1.412 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)[O-] ZINC000833789891 605313500 /nfs/dbraw/zinc/31/35/00/605313500.db2.gz OJEWHHCGBAZJRA-BONVTDFDSA-N -1 0 313.398 1.787 20 50 DDGDRM COCCC[C@@H](C)C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC000833725345 605405707 /nfs/dbraw/zinc/40/57/07/605405707.db2.gz UTQRCUSKLXFMCW-SNVBAGLBSA-N -1 0 310.350 1.899 20 50 DDGDRM Cc1nc2ccccc2n1CC(=O)NN=CCCNC(=O)[O-] ZINC000830791737 605461670 /nfs/dbraw/zinc/46/16/70/605461670.db2.gz ASTDPNDCBNLIBD-UHFFFAOYSA-N -1 0 303.322 1.104 20 50 DDGDRM O=C([O-])NNC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000833280634 605676207 /nfs/dbraw/zinc/67/62/07/605676207.db2.gz NUZYAILOKMJEHM-UHFFFAOYSA-N -1 0 309.713 1.889 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F ZINC000834172271 605720905 /nfs/dbraw/zinc/72/09/05/605720905.db2.gz JWDZWCCNMFPTFW-XPUUQOCRSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])N[C@H]1CC(=NNC(=O)c2cccnc2)c2ccccc21 ZINC000834156721 605739495 /nfs/dbraw/zinc/73/94/95/605739495.db2.gz CFIRPWGJXFWDDU-ZDUSSCGKSA-N -1 0 310.313 1.928 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cccc(-c2ccccn2)c1 ZINC000834227008 605746808 /nfs/dbraw/zinc/74/68/08/605746808.db2.gz HTVCHMCWEXFKIP-UHFFFAOYSA-N -1 0 312.329 1.856 20 50 DDGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@H]1CCCOC1 ZINC000833520468 605748256 /nfs/dbraw/zinc/74/82/56/605748256.db2.gz CQPNKKJAHBEDTI-PWSUYJOCSA-N -1 0 307.350 1.826 20 50 DDGDRM C[C@H]1C[C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833594945 605748951 /nfs/dbraw/zinc/74/89/51/605748951.db2.gz GWTCLOBLEVXNOV-QWRGUYRKSA-N -1 0 307.350 1.826 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNc1ccnc(F)c1 ZINC000834274828 605874422 /nfs/dbraw/zinc/87/44/22/605874422.db2.gz QSKCRGUQKLNWSL-UHFFFAOYSA-N -1 0 304.281 1.996 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ncccc1C(F)(F)F ZINC000834228252 606007587 /nfs/dbraw/zinc/00/75/87/606007587.db2.gz CEEOVODITXUONX-UHFFFAOYSA-N -1 0 318.255 1.598 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)C1CCCC1 ZINC000834275089 606047242 /nfs/dbraw/zinc/04/72/42/606047242.db2.gz YQVRFYYCGLDHEM-UHFFFAOYSA-N -1 0 305.334 1.657 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NOC[C@@H](C)NC(=O)[O-] ZINC000833921411 606069368 /nfs/dbraw/zinc/06/93/68/606069368.db2.gz ITXDZEJGFLDDRB-SSDOTTSWSA-N -1 0 318.761 1.056 20 50 DDGDRM O=C([O-])Nc1cccc(C(=O)NNC(=O)Cc2ccncc2)c1 ZINC000833291975 601272242 /nfs/dbraw/zinc/27/22/42/601272242.db2.gz XJVCGOZNFBBUJP-UHFFFAOYSA-N -1 0 314.301 1.175 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000832980964 602056481 /nfs/dbraw/zinc/05/64/81/602056481.db2.gz RTYZTVUBIRTAHQ-UHFFFAOYSA-N -1 0 313.313 1.092 20 50 DDGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)CN(CC1CC1)C(=O)[O-] ZINC000829224414 602805171 /nfs/dbraw/zinc/80/51/71/602805171.db2.gz JDKHONQARZYWQM-UHFFFAOYSA-N -1 0 324.289 1.899 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])o1 ZINC000832701704 603215456 /nfs/dbraw/zinc/21/54/56/603215456.db2.gz FQVZBRDQCGOFEI-UHFFFAOYSA-N -1 0 320.261 1.712 20 50 DDGDRM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NNC(=O)[O-])cc1 ZINC000830282124 603442737 /nfs/dbraw/zinc/44/27/37/603442737.db2.gz OBTCPQKGKPARIL-OLZOCXBDSA-N -1 0 307.350 1.945 20 50 DDGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccccc1 ZINC000826794070 603876061 /nfs/dbraw/zinc/87/60/61/603876061.db2.gz HBKNEKVNWRMJCB-GFCCVEGCSA-N -1 0 322.365 1.457 20 50 DDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNc1cnccn1)C2 ZINC000831307618 603897008 /nfs/dbraw/zinc/89/70/08/603897008.db2.gz DOGQXUURSOJOLK-FGWVZKOKSA-N -1 0 305.338 1.231 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000830764898 603919682 /nfs/dbraw/zinc/91/96/82/603919682.db2.gz OEYZZRRKCZSRDX-JGVFFNPUSA-N -1 0 313.745 1.318 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NNC(=O)NC1CC1 ZINC000832360175 603966299 /nfs/dbraw/zinc/96/62/99/603966299.db2.gz PZULDSVUWFLSKW-QWRGUYRKSA-N -1 0 312.370 1.086 20 50 DDGDRM CN(CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000828114389 604225781 /nfs/dbraw/zinc/22/57/81/604225781.db2.gz GVAUNZMTHLYMNL-UHFFFAOYSA-N -1 0 316.239 1.630 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000830568123 604496885 /nfs/dbraw/zinc/49/68/85/604496885.db2.gz YGPDYTUPIQLUQZ-OLZOCXBDSA-N -1 0 319.361 1.121 20 50 DDGDRM C[C@H](CC(=O)NNc1cnccn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824679109 604580403 /nfs/dbraw/zinc/58/04/03/604580403.db2.gz IHTFHAZEFGYAEX-GHMZBOCLSA-N -1 0 307.354 1.336 20 50 DDGDRM COCCO[C@H](C)C(=O)NN=C(C)c1ccc(C(=O)[O-])cc1 ZINC000831757221 604641871 /nfs/dbraw/zinc/64/18/71/604641871.db2.gz LICPYCYWRCEMAA-LLVKDONJSA-N -1 0 308.334 1.277 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833421820 604732059 /nfs/dbraw/zinc/73/20/59/604732059.db2.gz GCQYELCLCAMPDI-UHFFFAOYSA-N -1 0 308.338 1.653 20 50 DDGDRM C[C@H](NC(=O)[O-])C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000825185802 604769754 /nfs/dbraw/zinc/76/97/54/604769754.db2.gz IYFXUFVXBROMGH-LURJTMIESA-N -1 0 307.228 1.684 20 50 DDGDRM C[C@H](OCc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833535334 604802974 /nfs/dbraw/zinc/80/29/74/604802974.db2.gz HJYADKWJRUPENR-NSHDSACASA-N -1 0 315.329 1.828 20 50 DDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000833477954 604934734 /nfs/dbraw/zinc/93/47/34/604934734.db2.gz BLPAZGQNCZSUGO-LLVKDONJSA-N -1 0 310.310 1.720 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)COc1ccccc1F)c1cccnc1 ZINC000833115087 604987894 /nfs/dbraw/zinc/98/78/94/604987894.db2.gz WZFGLASLPDWXOI-AWEZNQCLSA-N -1 0 319.292 1.046 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)NCc1ccco1 ZINC000833406251 605039957 /nfs/dbraw/zinc/03/99/57/605039957.db2.gz MCGFTQXLUNLCAY-SNVBAGLBSA-N -1 0 304.306 1.560 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)CN(C(=O)[O-])c2ccccc2)n1 ZINC000830025677 605250369 /nfs/dbraw/zinc/25/03/69/605250369.db2.gz OKLUNHHUGKCWPC-UHFFFAOYSA-N -1 0 315.333 1.721 20 50 DDGDRM COc1ccc(NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000829483786 605297255 /nfs/dbraw/zinc/29/72/55/605297255.db2.gz KWCQIXMZAQLAFI-ZDUSSCGKSA-N -1 0 323.349 1.297 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CC[C@@H]2CCCN2C(=O)[O-])c(C)o1 ZINC000833898467 605389132 /nfs/dbraw/zinc/38/91/32/605389132.db2.gz NYVUUCWTMBQZCU-NSHDSACASA-N -1 0 323.349 1.580 20 50 DDGDRM COc1ccc(NNC(=O)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829484108 605421770 /nfs/dbraw/zinc/42/17/70/605421770.db2.gz OWCJGBCIFQSOSL-MRVPVSSYSA-N -1 0 324.293 1.046 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc(-c2ccco2)s1 ZINC000834203462 605446358 /nfs/dbraw/zinc/44/63/58/605446358.db2.gz QJNUZVLHRMTWLW-UHFFFAOYSA-N -1 0 309.303 1.037 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)c1cnn(-c2ccccc2)c1 ZINC000832605032 605467067 /nfs/dbraw/zinc/46/70/67/605467067.db2.gz HGEBXVKGHJSBQD-UHFFFAOYSA-N -1 0 301.306 1.246 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCCN2C(=O)[O-])c1 ZINC000833969728 605515409 /nfs/dbraw/zinc/51/54/09/605515409.db2.gz DGIJBAKMHMQRLJ-MRVPVSSYSA-N -1 0 309.713 1.192 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccccc2)Cc2ccccc2C1 ZINC000834155001 605714844 /nfs/dbraw/zinc/71/48/44/605714844.db2.gz XENLMWSZSVKJON-UHFFFAOYSA-N -1 0 311.341 1.935 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccccc1F)C[C@@H]1CCCO1 ZINC000834005288 605716896 /nfs/dbraw/zinc/71/68/96/605716896.db2.gz CAEHUOAOEMEXKC-JTQLQIEISA-N -1 0 311.313 1.428 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000834049302 605739496 /nfs/dbraw/zinc/73/94/96/605739496.db2.gz ZUMUVICRBKBAPP-QMMMGPOBSA-N -1 0 321.280 1.600 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cnc2ccc(Cl)cn12 ZINC000834228913 605797785 /nfs/dbraw/zinc/79/77/85/605797785.db2.gz SQQNJINQNFMVTA-UHFFFAOYSA-N -1 0 323.740 1.486 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc2sccc2c1 ZINC000834230282 605977288 /nfs/dbraw/zinc/97/72/88/605977288.db2.gz WVGARUXMEDQKHI-UHFFFAOYSA-N -1 0 321.358 1.710 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000834230243 605977926 /nfs/dbraw/zinc/97/79/26/605977926.db2.gz AVYOZKDRFKCSTJ-NWDGAFQWSA-N -1 0 323.324 1.124 20 50 DDGDRM CCCN(CCNC(=O)NNc1cccc(F)c1F)C(=O)[O-] ZINC000833854853 606015822 /nfs/dbraw/zinc/01/58/22/606015822.db2.gz CEZOBUHHROWAHM-UHFFFAOYSA-N -1 0 316.308 1.981 20 50 DDGDRM Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000832928521 601065802 /nfs/dbraw/zinc/06/58/02/601065802.db2.gz TYRLJPCASUDSPQ-HKMIMPICSA-N -1 0 316.313 1.035 20 50 DDGDRM CCc1noc(-c2ccc(C)c(NC(=O)NNC(=O)[O-])c2)n1 ZINC000830339545 601199924 /nfs/dbraw/zinc/19/99/24/601199924.db2.gz ZATCPJGVHAAQFR-UHFFFAOYSA-N -1 0 305.294 1.912 20 50 DDGDRM COCC(=O)NN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831540876 602306020 /nfs/dbraw/zinc/30/60/20/602306020.db2.gz HHZLIKNPGWLNLB-SNVBAGLBSA-N -1 0 307.133 1.386 20 50 DDGDRM O=C(CN(CC1CC1)C(=O)[O-])NNC(=O)NC1CCCCC1 ZINC000831463901 603224801 /nfs/dbraw/zinc/22/48/01/603224801.db2.gz GSYOQYNCCNDWFQ-UHFFFAOYSA-N -1 0 312.370 1.040 20 50 DDGDRM COCCCNC(=O)NNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000828950683 603414338 /nfs/dbraw/zinc/41/43/38/603414338.db2.gz PJNIKENVFZRGDI-UHFFFAOYSA-N -1 0 324.337 1.065 20 50 DDGDRM O=C([O-])NCC1(C(=O)NNc2ccc(Cl)nn2)CCCC1 ZINC000832443292 603801313 /nfs/dbraw/zinc/80/13/13/603801313.db2.gz YIVXBPNINPGDMN-UHFFFAOYSA-N -1 0 313.745 1.401 20 50 DDGDRM COc1ccc(NNC(=O)[C@H](CCSC)NC(=O)[O-])cc1 ZINC000829479767 604222062 /nfs/dbraw/zinc/22/20/62/604222062.db2.gz NIBYYVUAKKISAQ-NSHDSACASA-N -1 0 313.379 1.528 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672143 604307064 /nfs/dbraw/zinc/30/70/64/604307064.db2.gz RUFAOITYLMHPQL-WDEREUQCSA-N -1 0 313.398 1.596 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833443059 604603020 /nfs/dbraw/zinc/60/30/20/604603020.db2.gz OIHJKTYBQMOOCJ-UHFFFAOYSA-N -1 0 323.349 1.666 20 50 DDGDRM COc1ccc(C=CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833732573 604801785 /nfs/dbraw/zinc/80/17/85/604801785.db2.gz NUKJKXJDSRRZCA-WTKPLQERSA-N -1 0 313.313 1.945 20 50 DDGDRM CC(=O)c1[nH]c(CC(=O)N2CC=C(C#N)CC2)c(C(=O)[O-])c1C ZINC000833400259 605225486 /nfs/dbraw/zinc/22/54/86/605225486.db2.gz JRNPLONNKRFUBO-UHFFFAOYSA-N -1 0 315.329 1.449 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)c(C)o1 ZINC000829956852 605297228 /nfs/dbraw/zinc/29/72/28/605297228.db2.gz OMMHWESLNLPWPD-JTQLQIEISA-N -1 0 309.322 1.047 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000834134583 605322894 /nfs/dbraw/zinc/32/28/94/605322894.db2.gz JWDGJWDJUFREHC-JTQLQIEISA-N -1 0 324.287 1.969 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CCCOc2c(Cl)cccc21 ZINC000834199858 605383676 /nfs/dbraw/zinc/38/36/76/605383676.db2.gz QEZFNOJGFXCFGQ-UHFFFAOYSA-N -1 0 311.725 1.601 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000824232050 605669446 /nfs/dbraw/zinc/66/94/46/605669446.db2.gz OCVYNFCMLAZTED-SNVBAGLBSA-N -1 0 317.411 1.056 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1ccc(F)cc1F ZINC000834048832 605723494 /nfs/dbraw/zinc/72/34/94/605723494.db2.gz TXMXIVWLUWJHMR-VIFPVBQESA-N -1 0 303.290 1.461 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@H]1CCCC1=NNC(=O)C1CCCC1 ZINC000834045597 605740521 /nfs/dbraw/zinc/74/05/21/605740521.db2.gz RFRXQWZSSNKJIL-GXTWGEPZSA-N -1 0 323.393 1.828 20 50 DDGDRM CCCNC(=O)NN=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)[O-] ZINC000833855633 605742058 /nfs/dbraw/zinc/74/20/58/605742058.db2.gz JWNXMARVZGWBMX-JQWIXIFHSA-N -1 0 312.370 1.231 20 50 DDGDRM Cn1cc(C=NNC(=O)CCCNC(=O)[O-])c2ccccc21 ZINC000833945845 605796288 /nfs/dbraw/zinc/79/62/88/605796288.db2.gz BSAYDSSLROYJFQ-UHFFFAOYSA-N -1 0 302.334 1.676 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)Cn1ccc2ccccc21 ZINC000834167956 605858490 /nfs/dbraw/zinc/85/84/90/605858490.db2.gz FKBIUALKUDYGGY-GFCCVEGCSA-N -1 0 314.345 1.934 20 50 DDGDRM N#Cc1cccc(NNC(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)c1 ZINC000833976862 605962644 /nfs/dbraw/zinc/96/26/44/605962644.db2.gz RXQHYEAFUHTOQE-ZDUSSCGKSA-N -1 0 314.345 1.781 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2ccccc2[N+](=O)[O-])cn1 ZINC000834278232 606000512 /nfs/dbraw/zinc/00/05/12/606000512.db2.gz XQIRSQWUIWRKCK-UHFFFAOYSA-N -1 0 318.249 1.232 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)CCOc2ccccc2)C1 ZINC000833995048 606051399 /nfs/dbraw/zinc/05/13/99/606051399.db2.gz MUXAERBFSQPOOY-ZDUSSCGKSA-N -1 0 319.361 1.948 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccsc1 ZINC000826446005 608580360 /nfs/dbraw/zinc/58/03/60/608580360.db2.gz VBBWJDNTJSSVRP-UHFFFAOYSA-N -1 0 321.753 1.734 20 50 DDGDRM CCOC(=O)C(C#N)=CN[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000829817162 601353290 /nfs/dbraw/zinc/35/32/90/601353290.db2.gz BKVAJKVXZQKVKF-WONIAPNHSA-N -1 0 318.329 1.771 20 50 DDGDRM COc1ccc([C@H](CC(=O)[O-])NC=C(C#N)C#N)cc1OC ZINC000832241391 601353501 /nfs/dbraw/zinc/35/35/01/601353501.db2.gz QLOTYCPWOLNSQJ-LBPRGKRZSA-N -1 0 301.302 1.740 20 50 DDGDRM N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833061676 601460384 /nfs/dbraw/zinc/46/03/84/601460384.db2.gz FIMBSVZRPJDCBO-MCOWIHPBSA-N -1 0 317.301 1.635 20 50 DDGDRM N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833062504 601556297 /nfs/dbraw/zinc/55/62/97/601556297.db2.gz MPIJKNYMTYXMMP-CLUXPMKYSA-N -1 0 305.265 1.958 20 50 DDGDRM CCN(CC)c1cc[nH]c(=NNC(=O)CCCN(C)C(=O)[O-])n1 ZINC000829687989 601913649 /nfs/dbraw/zinc/91/36/49/601913649.db2.gz TWZVXHXTEOBKEK-UHFFFAOYSA-N -1 0 324.385 1.156 20 50 DDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000826800295 602324043 /nfs/dbraw/zinc/32/40/43/602324043.db2.gz JAAQJNYNGWQBBG-MRVPVSSYSA-N -1 0 311.298 1.115 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1CC(=O)NNC(=O)CCc1ccccc1 ZINC000831437376 602791893 /nfs/dbraw/zinc/79/18/93/602791893.db2.gz SHVSJESPBWYPDS-CYBMUJFWSA-N -1 0 319.361 1.299 20 50 DDGDRM CC(C)C(=O)NNC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000824044391 603225496 /nfs/dbraw/zinc/22/54/96/603225496.db2.gz TWSBOCNZUIFYOF-PWSUYJOCSA-N -1 0 307.350 1.435 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000826925335 603417518 /nfs/dbraw/zinc/41/75/18/603417518.db2.gz FMZDHXJTISHZRB-JQWIXIFHSA-N -1 0 322.365 1.372 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000827576090 603431517 /nfs/dbraw/zinc/43/15/17/603431517.db2.gz BBVAWWWZXBIBLW-QWHCGFSZSA-N -1 0 319.361 1.446 20 50 DDGDRM COc1ccccc1-c1noc([C@@H](C)NC(=O)NNC(=O)[O-])n1 ZINC000829585940 603439774 /nfs/dbraw/zinc/43/97/74/603439774.db2.gz NASHYGFYVUGRKR-SSDOTTSWSA-N -1 0 321.293 1.288 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)N[C@@H](CNC(=O)[O-])CC(C)C)n1 ZINC000830025892 603663378 /nfs/dbraw/zinc/66/33/78/603663378.db2.gz SAWHNRAMVZAZDP-LLVKDONJSA-N -1 0 324.385 1.402 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000823965265 603801357 /nfs/dbraw/zinc/80/13/57/603801357.db2.gz UYVZHRMISJNUNT-UHFFFAOYSA-N -1 0 305.256 1.841 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])[nH]c1 ZINC000830396345 603848992 /nfs/dbraw/zinc/84/89/92/603848992.db2.gz YYNGCZOOSIBGFW-GHMZBOCLSA-N -1 0 307.354 1.452 20 50 DDGDRM C[C@@H]1CC/C(=C\C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC000825865943 603921111 /nfs/dbraw/zinc/92/11/11/603921111.db2.gz MIICCGAFXWZVJV-OYVNLZQHSA-N -1 0 324.381 1.206 20 50 DDGDRM Cc1nccn1-c1ccc([C@@H](C)NC(=O)NNC(=O)[O-])cc1 ZINC000830818723 604144257 /nfs/dbraw/zinc/14/42/57/604144257.db2.gz POMILLQRQBBEDV-SECBINFHSA-N -1 0 303.322 1.724 20 50 DDGDRM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[O-] ZINC000823816538 604186531 /nfs/dbraw/zinc/18/65/31/604186531.db2.gz CJZPJOUYFIGIJJ-DTWKUNHWSA-N -1 0 316.358 1.162 20 50 DDGDRM CCC[C@](C)(NC(=O)[O-])C(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000826720080 604312583 /nfs/dbraw/zinc/31/25/83/604312583.db2.gz DSIVJUAFWZONMQ-LBPRGKRZSA-N -1 0 311.298 1.259 20 50 DDGDRM O=C([O-])NCCOCC(=O)NNc1c(Cl)cccc1Cl ZINC000832667583 604429900 /nfs/dbraw/zinc/42/99/00/604429900.db2.gz GXROWTYPQUHQPE-UHFFFAOYSA-N -1 0 322.148 1.721 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830566777 604496985 /nfs/dbraw/zinc/49/69/85/604496985.db2.gz GJDREPVZXDPYIM-QWHCGFSZSA-N -1 0 319.361 1.121 20 50 DDGDRM C[C@H](NC(=O)[O-])C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000833739444 604941006 /nfs/dbraw/zinc/94/10/06/604941006.db2.gz DKTJGNSAUPUOIC-ITOAGHBLSA-N -1 0 309.366 1.006 20 50 DDGDRM CCC[C@@](C)(NC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000826720376 605125485 /nfs/dbraw/zinc/12/54/85/605125485.db2.gz ICFGUDXSDNBCGG-CYBMUJFWSA-N -1 0 323.378 1.961 20 50 DDGDRM C[C@]1(NS(=O)(=O)CBr)CCCC[C@@H]1C(=O)[O-] ZINC000833571465 605210970 /nfs/dbraw/zinc/21/09/70/605210970.db2.gz ZVSRNOUOSAKXBC-APPZFPTMSA-N -1 0 314.201 1.292 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cc(Cl)ccc1OC(F)F ZINC000834199910 605383769 /nfs/dbraw/zinc/38/37/69/605383769.db2.gz TVIUCYBYHBATJH-UHFFFAOYSA-N -1 0 321.667 1.659 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(F)c(Br)c1 ZINC000834201709 605384271 /nfs/dbraw/zinc/38/42/71/605384271.db2.gz NHXYJPYLXJERLL-UHFFFAOYSA-N -1 0 318.102 1.306 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cc(Br)cs1 ZINC000834199919 605389645 /nfs/dbraw/zinc/38/96/45/605389645.db2.gz TZGFREYMZXKZHZ-UHFFFAOYSA-N -1 0 306.141 1.228 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)CCCc1ccc(Cl)cc1 ZINC000834200514 605459806 /nfs/dbraw/zinc/45/98/06/605459806.db2.gz LQBWIKDACYNQPA-UHFFFAOYSA-N -1 0 313.741 1.078 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)c1ccc(Br)s1 ZINC000832605202 605461543 /nfs/dbraw/zinc/46/15/43/605461543.db2.gz LPHMMYKEFTUVNL-UHFFFAOYSA-N -1 0 320.168 1.884 20 50 DDGDRM O=C([O-])NC[C@@H](NC(=O)NN=c1cc(Cl)cc[nH]1)C1CC1 ZINC000834204344 605525444 /nfs/dbraw/zinc/52/54/44/605525444.db2.gz GFMAIKPRFPQAJH-SECBINFHSA-N -1 0 313.745 1.407 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccccc1OC(F)(F)F ZINC000833384414 605589984 /nfs/dbraw/zinc/58/99/84/605589984.db2.gz IYFPRQUAUXGCFE-UHFFFAOYSA-N -1 0 319.239 1.693 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000827578403 605627956 /nfs/dbraw/zinc/62/79/56/605627956.db2.gz ZWXHPLGGFIABBV-ZDUSSCGKSA-N -1 0 319.361 1.400 20 50 DDGDRM O=C([O-])N1CCCC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000834050407 605716039 /nfs/dbraw/zinc/71/60/39/605716039.db2.gz YNFYUHJACLZORA-LLVKDONJSA-N -1 0 308.294 1.570 20 50 DDGDRM COC(=O)c1cncc(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833717389 605722783 /nfs/dbraw/zinc/72/27/83/605722783.db2.gz JZQYQNKRPPDSDL-UHFFFAOYSA-N -1 0 315.285 1.323 20 50 DDGDRM Cn1cccc1C(=O)NN=C1C[C@H](NC(=O)[O-])c2ccccc21 ZINC000833951901 605740550 /nfs/dbraw/zinc/74/05/50/605740550.db2.gz DAEOEKSQRUVPPW-LBPRGKRZSA-N -1 0 312.329 1.872 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCc2c1c(F)ccc2F ZINC000834228574 605796991 /nfs/dbraw/zinc/79/69/91/605796991.db2.gz LMZHFVNCWQJNSY-UHFFFAOYSA-N -1 0 311.288 1.779 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCOc2ccc(F)cc21 ZINC000834229894 605798869 /nfs/dbraw/zinc/79/88/69/605798869.db2.gz OUQQITXEHOJTHA-UHFFFAOYSA-N -1 0 309.297 1.476 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)Nc1ccccc1Cl ZINC000834231603 605814735 /nfs/dbraw/zinc/81/47/35/605814735.db2.gz MWRNEVRFRSHRAM-UHFFFAOYSA-N -1 0 314.729 1.541 20 50 DDGDRM C[C@@H](NC(=O)[O-])C(=O)OCCCI ZINC000833894513 605861456 /nfs/dbraw/zinc/86/14/56/605861456.db2.gz AVHZUTWUCSHVEN-RXMQYKEDSA-N -1 0 301.080 1.011 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNc1ccnc(F)c1 ZINC000833830796 605872312 /nfs/dbraw/zinc/87/23/12/605872312.db2.gz OGLHIIRIEMZORH-IINYFYTJSA-N -1 0 310.329 1.880 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1c(F)c(F)nc(F)c1F)C1CC1 ZINC000834001173 605978968 /nfs/dbraw/zinc/97/89/68/605978968.db2.gz FLMXLUOYENRPJY-UHFFFAOYSA-N -1 0 322.218 1.224 20 50 DDGDRM O=C(CC1CCC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826404310 608573813 /nfs/dbraw/zinc/57/38/13/608573813.db2.gz VVVZHHKZAIIARC-UHFFFAOYSA-N -1 0 307.745 1.548 20 50 DDGDRM CC(C)C(=O)NNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000824044390 603225189 /nfs/dbraw/zinc/22/51/89/603225189.db2.gz TWSBOCNZUIFYOF-JQWIXIFHSA-N -1 0 307.350 1.435 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1cc2c(s1)CCC2)NC(=O)[O-] ZINC000824672146 603225415 /nfs/dbraw/zinc/22/54/15/603225415.db2.gz RVJNPOYLINMFBH-SSDOTTSWSA-N -1 0 311.363 1.044 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ccncc2Cl)C1 ZINC000832326728 603805974 /nfs/dbraw/zinc/80/59/74/603805974.db2.gz UKTFPHKTJGWUTO-BDAKNGLRSA-N -1 0 312.757 1.426 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2ccc(F)c(F)c2F)C1 ZINC000831907216 603877120 /nfs/dbraw/zinc/87/71/20/603877120.db2.gz AJPQWDOVWQTGPP-GFCCVEGCSA-N -1 0 321.230 1.639 20 50 DDGDRM O=C([O-])N[C@@H](CNC(=O)NNc1cccnn1)c1ccccc1 ZINC000832135146 603897416 /nfs/dbraw/zinc/89/74/16/603897416.db2.gz IWXHCULXOZYPSL-NSHDSACASA-N -1 0 316.321 1.112 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000826925479 603964797 /nfs/dbraw/zinc/96/47/97/603964797.db2.gz GLZQCJQVCASKGW-WDEREUQCSA-N -1 0 314.386 1.333 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000824374961 603968219 /nfs/dbraw/zinc/96/82/19/603968219.db2.gz VWDGEYIXNWNWKN-GHMZBOCLSA-N -1 0 314.386 1.332 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)CCC1CCCCC1 ZINC000824868309 604146430 /nfs/dbraw/zinc/14/64/30/604146430.db2.gz LVSMNHFQMJDUFY-LLVKDONJSA-N -1 0 313.398 1.740 20 50 DDGDRM O=C([O-])N1CCC(NC(=O)NN=CCc2ccc(F)cc2)CC1 ZINC000831731119 604305537 /nfs/dbraw/zinc/30/55/37/604305537.db2.gz QTZSLYLKNIGUBG-UHFFFAOYSA-N -1 0 322.340 1.796 20 50 DDGDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NNc1ccccc1 ZINC000826124224 604891914 /nfs/dbraw/zinc/89/19/14/604891914.db2.gz AYJMFQYREMMVJY-CMPLNLGQSA-N -1 0 322.365 1.816 20 50 DDGDRM Cn1cc(C(=O)NN[C@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000833042065 604987957 /nfs/dbraw/zinc/98/79/57/604987957.db2.gz UQBQBRCAJVZBDR-HNNXBMFYSA-N -1 0 324.340 1.634 20 50 DDGDRM Cc1cccc(OCC(=O)NN[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000832972063 604987964 /nfs/dbraw/zinc/98/79/64/604987964.db2.gz HYPWOMMYRFOUSR-HNNXBMFYSA-N -1 0 315.329 1.216 20 50 DDGDRM O=C([O-])NNC(=O)NCc1ccc(O)c(Br)c1 ZINC000832748383 605191294 /nfs/dbraw/zinc/19/12/94/605191294.db2.gz IPOLFGHKWXHVIS-UHFFFAOYSA-N -1 0 304.100 1.137 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CCCOc2cc(Cl)ccc21 ZINC000834199923 605383789 /nfs/dbraw/zinc/38/37/89/605383789.db2.gz UBRUSZIKTLRVMQ-UHFFFAOYSA-N -1 0 311.725 1.601 20 50 DDGDRM CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](COC)C(=O)[O-])cc1 ZINC000833663432 605416694 /nfs/dbraw/zinc/41/66/94/605416694.db2.gz JGXOBRFIQKTYAB-ICDLMJIXSA-N -1 0 318.329 1.208 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)c1ccccc1Br ZINC000832604997 605459291 /nfs/dbraw/zinc/45/92/91/605459291.db2.gz GIRSKVZYGUAJEM-UHFFFAOYSA-N -1 0 314.139 1.822 20 50 DDGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)Cc1cccnc1 ZINC000824759521 605466120 /nfs/dbraw/zinc/46/61/20/605466120.db2.gz NFFFTUIKTCHLJZ-CYBMUJFWSA-N -1 0 304.350 1.649 20 50 DDGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NN=c2cc(Cl)cc[nH]2)CC1 ZINC000834048799 605476198 /nfs/dbraw/zinc/47/61/98/605476198.db2.gz SNAIUMYIBGLTBU-JTQLQIEISA-N -1 0 324.768 1.958 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000823822986 605564470 /nfs/dbraw/zinc/56/44/70/605564470.db2.gz YPWKKSFZEMDZFT-NSHDSACASA-N -1 0 323.349 1.941 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000833801649 605624911 /nfs/dbraw/zinc/62/49/11/605624911.db2.gz LFWOLKPHNZIMFP-TVQRCGJNSA-N -1 0 305.334 1.528 20 50 DDGDRM CN(CCCNC(=O)/C(C#N)=C/c1ccc(F)cc1)C(=O)[O-] ZINC000833872179 605646183 /nfs/dbraw/zinc/64/61/83/605646183.db2.gz HAQOXRCQPMADOU-FMIVXFBMSA-N -1 0 305.309 1.849 20 50 DDGDRM CC(=O)N1CC[C@](C)(C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833393577 605736865 /nfs/dbraw/zinc/73/68/65/605736865.db2.gz RGRSWDKRNRDTRC-HNNXBMFYSA-N -1 0 305.334 1.086 20 50 DDGDRM CC(C)CC(=O)NCCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833474599 605736955 /nfs/dbraw/zinc/73/69/55/605736955.db2.gz ZNUSRMDIRPYXFW-UHFFFAOYSA-N -1 0 307.350 1.380 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(Oc2ccccc2)o1 ZINC000834201569 605746895 /nfs/dbraw/zinc/74/68/95/605746895.db2.gz KVKVRCOQTCRKGO-UHFFFAOYSA-N -1 0 303.274 1.790 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cnc(-c2cccs2)s1 ZINC000834227619 605747868 /nfs/dbraw/zinc/74/78/68/605747868.db2.gz XSSRCAQVOCNWQK-UHFFFAOYSA-N -1 0 324.387 1.979 20 50 DDGDRM CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833844207 605811059 /nfs/dbraw/zinc/81/10/59/605811059.db2.gz IKFMXFYNNCIODA-WDEREUQCSA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)Nc1ccc(F)cc1F ZINC000834230609 605814040 /nfs/dbraw/zinc/81/40/40/605814040.db2.gz ARQGHCOKMIKPND-UHFFFAOYSA-N -1 0 316.264 1.165 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1ccncc1 ZINC000834271935 606040523 /nfs/dbraw/zinc/04/05/23/606040523.db2.gz FVYTVWJYYOPTCD-UHFFFAOYSA-N -1 0 314.301 1.175 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NN=c2ccc3ccccc3[nH]2)cn1 ZINC000834278153 606065519 /nfs/dbraw/zinc/06/55/19/606065519.db2.gz WIWSWOQIJJWDTF-UHFFFAOYSA-N -1 0 324.300 1.872 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)CNc2ccccc2)C1 ZINC000833111119 601208991 /nfs/dbraw/zinc/20/89/91/601208991.db2.gz CYQCMPHFURXNLU-NEPJUHHUSA-N -1 0 319.361 1.137 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000823841520 602038622 /nfs/dbraw/zinc/03/86/22/602038622.db2.gz FYPBAOLWMIRQND-AWEZNQCLSA-N -1 0 313.785 1.676 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc2ccccc21 ZINC000827303745 602170004 /nfs/dbraw/zinc/17/00/04/602170004.db2.gz IVLZPKPZAHEVDZ-SNVBAGLBSA-N -1 0 300.314 1.712 20 50 DDGDRM CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)CC(=O)[O-] ZINC000830260174 602266576 /nfs/dbraw/zinc/26/65/76/602266576.db2.gz WFUMUUUKQSXXAZ-JTQLQIEISA-N -1 0 323.418 1.986 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000824372748 603428021 /nfs/dbraw/zinc/42/80/21/603428021.db2.gz CQLLDFCCCRQRIL-JQWIXIFHSA-N -1 0 322.365 1.370 20 50 DDGDRM COCCCOc1cc(C)ccc1CNC(=O)NNC(=O)[O-] ZINC000828957639 603528891 /nfs/dbraw/zinc/52/88/91/603528891.db2.gz VJIYMXIEDKAMFA-UHFFFAOYSA-N -1 0 311.338 1.392 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1 ZINC000832277197 603625031 /nfs/dbraw/zinc/62/50/31/603625031.db2.gz HARVLQNRULPPCF-BQBZGAKWSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NNC(=O)c1ccc[nH]1 ZINC000831308937 603819610 /nfs/dbraw/zinc/81/96/10/603819610.db2.gz YNYASYALMBLCDB-FGWVZKOKSA-N -1 0 320.349 1.087 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000826925477 603964991 /nfs/dbraw/zinc/96/49/91/603964991.db2.gz GLZQCJQVCASKGW-MNOVXSKESA-N -1 0 314.386 1.333 20 50 DDGDRM CCC[C@](C)(NC(=O)[O-])C(=O)NN=c1nc(OC)cc(C)[nH]1 ZINC000826719841 603967109 /nfs/dbraw/zinc/96/71/09/603967109.db2.gz CBKZOZIIMCAJOE-ZDUSSCGKSA-N -1 0 311.342 1.063 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000832276716 604005885 /nfs/dbraw/zinc/00/58/85/604005885.db2.gz DEDBMKGLSOAIGA-BQBZGAKWSA-N -1 0 317.267 1.983 20 50 DDGDRM CC(C)[C@H](CCN(C)C(=O)NNC(=O)C(C)(C)C)NC(=O)[O-] ZINC000824085818 604074885 /nfs/dbraw/zinc/07/48/85/604074885.db2.gz REOZIYPUSCIPML-JTQLQIEISA-N -1 0 316.402 1.387 20 50 DDGDRM Cc1cc(OC(=O)[C@H]2CSCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000830129867 604224574 /nfs/dbraw/zinc/22/45/74/604224574.db2.gz ZMBGYZFLIHHXQO-SNVBAGLBSA-N -1 0 312.303 1.862 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NN=c2[nH]cccc2[N+](=O)[O-])C1 ZINC000832324788 604313501 /nfs/dbraw/zinc/31/35/01/604313501.db2.gz ISXSUZYJZLRROI-DTWKUNHWSA-N -1 0 323.309 1.259 20 50 DDGDRM O=C([O-])NNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000832748078 604641694 /nfs/dbraw/zinc/64/16/94/604641694.db2.gz DKVGLQPPTFSDNC-UHFFFAOYSA-N -1 0 312.123 1.772 20 50 DDGDRM Cc1noc(C)c1CCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833757637 604807429 /nfs/dbraw/zinc/80/74/29/604807429.db2.gz JTJOXODFZVNUSD-UHFFFAOYSA-N -1 0 304.306 1.461 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(C#N)cc1 ZINC000833406622 605040190 /nfs/dbraw/zinc/04/01/90/605040190.db2.gz OSCMGTBUOOAGOL-LLVKDONJSA-N -1 0 310.313 1.769 20 50 DDGDRM O=C([O-])N1CCCC[C@@H]1C(=O)NN=c1nc[nH]c2ccsc21 ZINC000831742700 605126220 /nfs/dbraw/zinc/12/62/20/605126220.db2.gz NRMFNQXVFIKHLI-SECBINFHSA-N -1 0 321.362 1.667 20 50 DDGDRM O=C([O-])NNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000832744867 605187195 /nfs/dbraw/zinc/18/71/95/605187195.db2.gz PACGLGIRGXTSLU-NSHDSACASA-N -1 0 313.313 1.492 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccccn2)Cc2ccccc2C1 ZINC000834153409 605324796 /nfs/dbraw/zinc/32/47/96/605324796.db2.gz DFDAGGXSTAXCKO-UHFFFAOYSA-N -1 0 312.329 1.330 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1c(Cl)cccc1OC(F)F ZINC000834199562 605385405 /nfs/dbraw/zinc/38/54/05/605385405.db2.gz BPMHHWVZMAMNKB-UHFFFAOYSA-N -1 0 321.667 1.659 20 50 DDGDRM CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](COC)C(=O)[O-])cc1 ZINC000833663433 605416818 /nfs/dbraw/zinc/41/68/18/605416818.db2.gz JGXOBRFIQKTYAB-UNJUUPHPSA-N -1 0 318.329 1.208 20 50 DDGDRM CCCOc1ccc(C=NNC(=O)NCC(=O)[O-])cc1OC ZINC000833652178 605592406 /nfs/dbraw/zinc/59/24/06/605592406.db2.gz OUNRPBIFMNNQBC-UHFFFAOYSA-N -1 0 309.322 1.202 20 50 DDGDRM Cc1nc(C)c(CC(=O)NNc2ccccc2C(=O)[O-])c(=O)[nH]1 ZINC000833754838 605724948 /nfs/dbraw/zinc/72/49/48/605724948.db2.gz KYIYUPZFEAQFEN-UHFFFAOYSA-N -1 0 316.317 1.183 20 50 DDGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1cccc2cnccc21 ZINC000833468261 605736664 /nfs/dbraw/zinc/73/66/64/605736664.db2.gz NUHFLHRNKKRBOC-ZDUSSCGKSA-N -1 0 302.334 1.970 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(F)cc1C(F)(F)F ZINC000834227042 605749463 /nfs/dbraw/zinc/74/94/63/605749463.db2.gz IOENNUKWXVRSSB-UHFFFAOYSA-N -1 0 321.230 1.952 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(F)cc1Cl ZINC000834228402 605795412 /nfs/dbraw/zinc/79/54/12/605795412.db2.gz GKSIKRNLWZSSFN-UHFFFAOYSA-N -1 0 301.705 1.977 20 50 DDGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2cccnc2Cl)CC1 ZINC000834046684 605948669 /nfs/dbraw/zinc/94/86/69/605948669.db2.gz BBECCQOTBSJNFT-VIFPVBQESA-N -1 0 324.768 1.958 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CCCNC(=O)[O-])c(C)n1C(C)C ZINC000833897655 605973158 /nfs/dbraw/zinc/97/31/58/605973158.db2.gz CZLXJYIYPLUXLV-UHFFFAOYSA-N -1 0 324.381 1.495 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1ccncc1 ZINC000833825408 605997657 /nfs/dbraw/zinc/99/76/57/605997657.db2.gz BROTXPNITVHVLS-XHDPSFHLSA-N -1 0 320.349 1.059 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1 ZINC000833826147 605999039 /nfs/dbraw/zinc/99/90/39/605999039.db2.gz FJMPVMSIVJATKH-MLGOLLRUSA-N -1 0 319.361 1.664 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2O)C1 ZINC000833149172 601209138 /nfs/dbraw/zinc/20/91/38/601209138.db2.gz HDHMNVOSXHBHKX-VHSXEESVSA-N -1 0 306.318 1.044 20 50 DDGDRM N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833061677 601460280 /nfs/dbraw/zinc/46/02/80/601460280.db2.gz FIMBSVZRPJDCBO-NYZLRFNGSA-N -1 0 317.301 1.635 20 50 DDGDRM CC[C@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)[O-] ZINC000828906743 601752271 /nfs/dbraw/zinc/75/22/71/601752271.db2.gz LENBYRNPWCHJBZ-KKNAONHISA-N -1 0 300.318 1.092 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)Cc1ccc(Cl)cc1)NC(=O)[O-] ZINC000824671412 603231259 /nfs/dbraw/zinc/23/12/59/603231259.db2.gz HAFUZPFESFQRKA-MRVPVSSYSA-N -1 0 313.741 1.076 20 50 DDGDRM O=C([O-])N1CCC(NC(=O)NNC(=O)[C@H]2CC23CCCC3)CC1 ZINC000831735947 603493371 /nfs/dbraw/zinc/49/33/71/603493371.db2.gz FKAURFMUMFOBDB-LLVKDONJSA-N -1 0 324.381 1.040 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ccc(Cl)nn2)C1 ZINC000832323753 603634481 /nfs/dbraw/zinc/63/44/81/603634481.db2.gz GGIGPFVWMUPTCL-YUMQZZPRSA-N -1 0 313.745 1.400 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000824231238 603740093 /nfs/dbraw/zinc/74/00/93/603740093.db2.gz FNSJUHVELNBMJS-GXSJLCMTSA-N -1 0 315.370 1.073 20 50 DDGDRM O=C([O-])NN=C1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000832743927 603883849 /nfs/dbraw/zinc/88/38/49/603883849.db2.gz FWZLYXAEECWCTE-JTQLQIEISA-N -1 0 301.302 1.849 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NNC(=O)C1CCC1 ZINC000832350925 603985953 /nfs/dbraw/zinc/98/59/53/603985953.db2.gz YNSQEBBJSLWSSJ-RYUDHWBXSA-N -1 0 311.382 1.541 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833421778 604923540 /nfs/dbraw/zinc/92/35/40/604923540.db2.gz CTWUYQJIJIDOJP-UHFFFAOYSA-N -1 0 319.321 1.460 20 50 DDGDRM COc1cc(F)cc(NNC(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC000833728266 604941619 /nfs/dbraw/zinc/94/16/19/604941619.db2.gz AYWQZLJYNURKLF-UHFFFAOYSA-N -1 0 305.265 1.684 20 50 DDGDRM CC(C)(C)c1ccc(OCC(=O)NN[C@H](C(=O)[O-])C2CC2)cc1 ZINC000833449530 605062032 /nfs/dbraw/zinc/06/20/32/605062032.db2.gz XCICECSUOIBWRA-HNNXBMFYSA-N -1 0 320.389 1.847 20 50 DDGDRM CC(C)(C)OC(=O)N(CC(=O)NNC(=O)[O-])c1ccccc1 ZINC000823791926 605244784 /nfs/dbraw/zinc/24/47/84/605244784.db2.gz PWGXAQAKNWXPRB-UHFFFAOYSA-N -1 0 309.322 1.727 20 50 DDGDRM O=C([O-])N(CC(=O)NN=c1ccc2ccccc2[nH]1)C1CC1 ZINC000834000942 605321692 /nfs/dbraw/zinc/32/16/92/605321692.db2.gz CUEUYIBLNIOIJH-UHFFFAOYSA-N -1 0 300.318 1.820 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000834047583 605324623 /nfs/dbraw/zinc/32/46/23/605324623.db2.gz LHNZZQQODXAWJV-LLVKDONJSA-N -1 0 318.358 1.731 20 50 DDGDRM CC(=NNC(=O)c1ccoc1)c1ccccc1OCC(=O)[O-] ZINC000833385079 605326928 /nfs/dbraw/zinc/32/69/28/605326928.db2.gz SHIGIABGIJUSNK-UHFFFAOYSA-N -1 0 302.286 1.897 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(-c2c(F)cccc2F)o1 ZINC000834201534 605384543 /nfs/dbraw/zinc/38/45/43/605384543.db2.gz JZOXHBREHNQCBZ-UHFFFAOYSA-N -1 0 323.255 1.943 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(OC(F)F)c(Cl)c1 ZINC000834202288 605390170 /nfs/dbraw/zinc/39/01/70/605390170.db2.gz UKBFSAVITIAOEQ-UHFFFAOYSA-N -1 0 321.667 1.659 20 50 DDGDRM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NNC(=O)[O-] ZINC000823809463 605600792 /nfs/dbraw/zinc/60/07/92/605600792.db2.gz LRAGFCIWQBDONX-QMMMGPOBSA-N -1 0 319.383 1.028 20 50 DDGDRM Cc1cc(NNC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])ncn1 ZINC000830122760 605611726 /nfs/dbraw/zinc/61/17/26/605611726.db2.gz PCYUTCUEGMJRIF-VXGBXAGGSA-N -1 0 321.381 1.835 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2cccc([N+](=O)[O-])c2)C1 ZINC000834083611 605714861 /nfs/dbraw/zinc/71/48/61/605714861.db2.gz IPESLOVEUONTAF-GFCCVEGCSA-N -1 0 312.257 1.130 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000834047101 605741873 /nfs/dbraw/zinc/74/18/73/605741873.db2.gz GJVIAIHCALOQBH-SECBINFHSA-N -1 0 319.745 1.975 20 50 DDGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cnn(C)c1 ZINC000833520886 605743804 /nfs/dbraw/zinc/74/38/04/605743804.db2.gz JTWFUUKEEQCNDS-SECBINFHSA-N -1 0 303.322 1.506 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1c[nH]c2cccc(F)c12 ZINC000834243013 605795674 /nfs/dbraw/zinc/79/56/74/605795674.db2.gz DVYMZRIOXLUHPT-UHFFFAOYSA-N -1 0 307.285 1.208 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccnc2ccccc12 ZINC000834228522 605799785 /nfs/dbraw/zinc/79/97/85/605799785.db2.gz KHEKIPUPXBUNND-UHFFFAOYSA-N -1 0 300.318 1.733 20 50 DDGDRM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1ccnc(F)c1 ZINC000833989553 605873583 /nfs/dbraw/zinc/87/35/83/605873583.db2.gz XOMZRWISFOIVOQ-SECBINFHSA-N -1 0 314.342 1.149 20 50 DDGDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)NNC(=O)[O-])n1 ZINC000833760877 605910228 /nfs/dbraw/zinc/91/02/28/605910228.db2.gz HKRBRVLKCYLFAZ-UHFFFAOYSA-N -1 0 304.241 1.187 20 50 DDGDRM O=C([O-])N(CC(=O)NN=c1nc[nH]c2ccsc21)C1CC1 ZINC000834001259 605986969 /nfs/dbraw/zinc/98/69/69/605986969.db2.gz JVHCQPVMXMPWPK-UHFFFAOYSA-N -1 0 307.335 1.277 20 50 DDGDRM O=C(C[C@H]1C=CCC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826403899 608572460 /nfs/dbraw/zinc/57/24/60/608572460.db2.gz HKHOEVQERGHITO-QMMMGPOBSA-N -1 0 319.756 1.715 20 50 DDGDRM C[C@H](C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CC1 ZINC000824040304 608575574 /nfs/dbraw/zinc/57/55/74/608575574.db2.gz OBMHVRYAVBTLHN-LURJTMIESA-N -1 0 307.745 1.404 20 50 DDGDRM CCCC=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825261388 608624665 /nfs/dbraw/zinc/62/46/65/608624665.db2.gz YMINSAIAXJLRRT-SNAWJCMRSA-N -1 0 307.745 1.715 20 50 DDGDRM COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832588976 600942872 /nfs/dbraw/zinc/94/28/72/600942872.db2.gz JBQLLOJMDOXLBI-GHMZBOCLSA-N -1 0 320.345 1.347 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=S)Nc1cccc(Cl)c1 ZINC000827303736 602265949 /nfs/dbraw/zinc/26/59/49/602265949.db2.gz ISHVLEZIMNLPDV-ZETCQYMHSA-N -1 0 315.782 1.768 20 50 DDGDRM Cc1ccc(NC(=O)NNC(=O)[C@H](C)CC(=O)[O-])c(Cl)c1 ZINC000832948619 602266607 /nfs/dbraw/zinc/26/66/07/602266607.db2.gz UGVWJJGKPAWMDH-MRVPVSSYSA-N -1 0 313.741 1.912 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1cc2c(s1)CCC2)NC(=O)[O-] ZINC000824672147 603225225 /nfs/dbraw/zinc/22/52/25/603225225.db2.gz RVJNPOYLINMFBH-ZETCQYMHSA-N -1 0 311.363 1.044 20 50 DDGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)CC(C)(C)C ZINC000824196720 603664530 /nfs/dbraw/zinc/66/45/30/603664530.db2.gz MSYVNWAKVAYJFY-JTQLQIEISA-N -1 0 316.402 1.435 20 50 DDGDRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccccc1 ZINC000832476232 603681861 /nfs/dbraw/zinc/68/18/61/603681861.db2.gz ULWMLLXCKXTAAE-RYUDHWBXSA-N -1 0 320.349 1.067 20 50 DDGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829226261 603965518 /nfs/dbraw/zinc/96/55/18/603965518.db2.gz XGRDJBIHJCVJJS-IUCAKERBSA-N -1 0 324.289 1.945 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNC(=O)NC1CC1 ZINC000832360178 603965786 /nfs/dbraw/zinc/96/57/86/603965786.db2.gz PZULDSVUWFLSKW-WDEREUQCSA-N -1 0 312.370 1.086 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccc(Cl)nc2)o1 ZINC000832702533 604030755 /nfs/dbraw/zinc/03/07/55/604030755.db2.gz QRURQQLYTNLJSS-UHFFFAOYSA-N -1 0 310.697 1.853 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@@H](C)CN(C)C(=O)[O-])cc1 ZINC000827577000 604060727 /nfs/dbraw/zinc/06/07/27/604060727.db2.gz JKDOKEPYUXFTEL-JTQLQIEISA-N -1 0 307.350 1.256 20 50 DDGDRM C=CCCO[C@H](C)C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC000833373884 604646754 /nfs/dbraw/zinc/64/67/54/604646754.db2.gz HUFMVCDHAXFXJD-SNVBAGLBSA-N -1 0 308.334 1.818 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccc[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824672388 604658234 /nfs/dbraw/zinc/65/82/34/604658234.db2.gz WWCSMXNNNGVNMO-SNVBAGLBSA-N -1 0 322.365 1.192 20 50 DDGDRM O=C([O-])Cc1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1 ZINC000833775847 604731672 /nfs/dbraw/zinc/73/16/72/604731672.db2.gz SNUNOQJWALMWIS-UHFFFAOYSA-N -1 0 321.724 1.906 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNc2ccc(Cl)nn2)c1 ZINC000833765739 604885245 /nfs/dbraw/zinc/88/52/45/604885245.db2.gz KKVGXUPWMJBVID-UHFFFAOYSA-N -1 0 306.709 1.514 20 50 DDGDRM CC(C)(NC(=O)[O-])C(=O)NNc1ccc(OC(F)F)cc1 ZINC000833461378 604938952 /nfs/dbraw/zinc/93/89/52/604938952.db2.gz PBJHIGLSOFVMTG-UHFFFAOYSA-N -1 0 303.265 1.777 20 50 DDGDRM COC(=O)NN=Cc1c(C)c(C=NNC(=O)[O-])c2ccccn12 ZINC000831207207 604984096 /nfs/dbraw/zinc/98/40/96/604984096.db2.gz WVTFKNQYYDZDEM-UHFFFAOYSA-N -1 0 317.305 1.539 20 50 DDGDRM O=C([O-])N1CC[C@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000831742900 605126033 /nfs/dbraw/zinc/12/60/33/605126033.db2.gz VJGAGANKPKPZNR-ZETCQYMHSA-N -1 0 307.335 1.134 20 50 DDGDRM C=CCOc1cccnc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833378931 605184711 /nfs/dbraw/zinc/18/47/11/605184711.db2.gz SAUVRZKJYRALIO-UHFFFAOYSA-N -1 0 314.301 1.497 20 50 DDGDRM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NNc1ccccn1 ZINC000834050391 605324944 /nfs/dbraw/zinc/32/49/44/605324944.db2.gz YJAJDLHWGRNIQY-CQSZACIVSA-N -1 0 312.329 1.802 20 50 DDGDRM O=C([O-])NCC(=O)NN=C(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000834200103 605381762 /nfs/dbraw/zinc/38/17/62/605381762.db2.gz XTXXZTSHNUQPPL-UHFFFAOYSA-N -1 0 320.305 1.287 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1cc2c(cccc2F)s1 ZINC000834203106 605467069 /nfs/dbraw/zinc/46/70/69/605467069.db2.gz IAECCNNIZMSSSD-UHFFFAOYSA-N -1 0 311.294 1.069 20 50 DDGDRM O=C([O-])NCc1nc(C(=O)NNc2cccc(F)c2)cs1 ZINC000834249281 605719456 /nfs/dbraw/zinc/71/94/56/605719456.db2.gz OYGWXVWQJKDUQC-UHFFFAOYSA-N -1 0 310.310 1.807 20 50 DDGDRM CC(C)(C)N1C[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2)CC1=O ZINC000833431469 605732561 /nfs/dbraw/zinc/73/25/61/605732561.db2.gz NJDAEYCPKCSUDY-NSHDSACASA-N -1 0 319.361 1.475 20 50 DDGDRM O=C([O-])N[C@@H]1CC(=NNC(=O)c2cnccn2)c2ccccc21 ZINC000834159428 605742299 /nfs/dbraw/zinc/74/22/99/605742299.db2.gz ZHYRCDINEGPRCD-LLVKDONJSA-N -1 0 311.301 1.323 20 50 DDGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CCCOC1 ZINC000833520466 605747954 /nfs/dbraw/zinc/74/79/54/605747954.db2.gz CQPNKKJAHBEDTI-CMPLNLGQSA-N -1 0 307.350 1.826 20 50 DDGDRM O=C([O-])N1CC(CNC(=O)NNc2cc(F)c(F)cc2F)C1 ZINC000834035865 605773446 /nfs/dbraw/zinc/77/34/46/605773446.db2.gz YBUUFJMQVYERAQ-UHFFFAOYSA-N -1 0 318.255 1.340 20 50 DDGDRM O=C([O-])NNC(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC000834250948 605848169 /nfs/dbraw/zinc/84/81/69/605848169.db2.gz PMPSHEXULXELFE-UHFFFAOYSA-N -1 0 301.302 1.502 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)Cn1cnc2ccccc21 ZINC000834168584 605857219 /nfs/dbraw/zinc/85/72/19/605857219.db2.gz IOYQHCTYWKTJCK-SNVBAGLBSA-N -1 0 315.333 1.329 20 50 DDGDRM CN(NC(=O)C[C@@H]1CSCCN1C(=O)[O-])c1ccccc1 ZINC000828434680 605873790 /nfs/dbraw/zinc/87/37/90/605873790.db2.gz IXMQMSRLHBNPIZ-GFCCVEGCSA-N -1 0 309.391 1.640 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2F)C1 ZINC000833149081 600835342 /nfs/dbraw/zinc/83/53/42/600835342.db2.gz DFQXFTIOVGILHN-VHSXEESVSA-N -1 0 308.309 1.478 20 50 DDGDRM O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)NC1CCCCC1 ZINC000833149349 600870843 /nfs/dbraw/zinc/87/08/43/600870843.db2.gz NTKZEOCXYNQFFO-MNOVXSKESA-N -1 0 311.382 1.541 20 50 DDGDRM O=C([O-])COc1cccc(C(=O)NNc2ccncc2Cl)c1 ZINC000833259213 601818454 /nfs/dbraw/zinc/81/84/54/601818454.db2.gz ACKFBZQUVRHYHU-UHFFFAOYSA-N -1 0 321.720 1.377 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000827303516 602068760 /nfs/dbraw/zinc/06/87/60/602068760.db2.gz GMFMDBHXMGGDBT-SNVBAGLBSA-N -1 0 306.362 1.856 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)NCc1ccc(Cl)cc1 ZINC000827304700 602266104 /nfs/dbraw/zinc/26/61/04/602266104.db2.gz ZGJSFFNZVPAGOT-QMMMGPOBSA-N -1 0 313.741 1.281 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)c2ccoc2)cc1NC(=O)[O-] ZINC000830225387 602769552 /nfs/dbraw/zinc/76/95/52/602769552.db2.gz LQWLREQVIIDLCW-UHFFFAOYSA-N -1 0 303.274 1.753 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830552725 603235296 /nfs/dbraw/zinc/23/52/96/603235296.db2.gz AXRXMFUNCDZQPB-NSHDSACASA-N -1 0 305.334 1.289 20 50 DDGDRM C[C@@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000824680743 603346682 /nfs/dbraw/zinc/34/66/82/603346682.db2.gz ZJHHMODTRXEQJZ-LURJTMIESA-N -1 0 316.701 1.738 20 50 DDGDRM C[C@@H](CC(=O)NNc1ccc(Br)cc1)NC(=O)[O-] ZINC000824678559 603453680 /nfs/dbraw/zinc/45/36/80/603453680.db2.gz BVYNNNIRGXINFT-ZETCQYMHSA-N -1 0 316.155 1.938 20 50 DDGDRM Cc1cc[nH]c(=NNC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c1 ZINC000830611949 603481034 /nfs/dbraw/zinc/48/10/34/603481034.db2.gz QYSWFTGVDGQFHJ-CYBMUJFWSA-N -1 0 314.345 1.885 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ccncc2Cl)C1 ZINC000832326732 603805724 /nfs/dbraw/zinc/80/57/24/603805724.db2.gz UKTFPHKTJGWUTO-IUCAKERBSA-N -1 0 312.757 1.426 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)C2CCC(NC(=O)[O-])CC2)n1 ZINC000829102038 603967261 /nfs/dbraw/zinc/96/72/61/603967261.db2.gz RSECNPDKFPTVEB-UHFFFAOYSA-N -1 0 323.353 1.063 20 50 DDGDRM C=CCNC(=S)NNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000823510956 604030986 /nfs/dbraw/zinc/03/09/86/604030986.db2.gz LKKCQRWYJVVMIU-UHFFFAOYSA-N -1 0 308.363 1.380 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000830764748 604066558 /nfs/dbraw/zinc/06/65/58/604066558.db2.gz MIOOLKYJVSRGCZ-GFCCVEGCSA-N -1 0 313.745 1.272 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000830586436 604119446 /nfs/dbraw/zinc/11/94/46/604119446.db2.gz MUHVYXCEZJYJRK-AWEZNQCLSA-N -1 0 324.312 1.240 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000830586437 604119530 /nfs/dbraw/zinc/11/95/30/604119530.db2.gz MUHVYXCEZJYJRK-CQSZACIVSA-N -1 0 324.312 1.240 20 50 DDGDRM CCOC(=O)NNC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827329556 604283753 /nfs/dbraw/zinc/28/37/53/604283753.db2.gz XISKKZZSKOOYGS-NXEZZACHSA-N -1 0 301.343 1.180 20 50 DDGDRM COc1cc(F)cc(NNC(=O)CC2(NC(=O)[O-])CCC2)c1 ZINC000829142038 604315248 /nfs/dbraw/zinc/31/52/48/604315248.db2.gz MZMCWOASISIPOT-UHFFFAOYSA-N -1 0 311.313 1.858 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)c1 ZINC000829141337 604316050 /nfs/dbraw/zinc/31/60/50/604316050.db2.gz BTOBQARQSVBEAQ-CQSZACIVSA-N -1 0 311.313 1.667 20 50 DDGDRM C[C@@H](COc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833518715 604802937 /nfs/dbraw/zinc/80/29/37/604802937.db2.gz JDQPNILREPXWKS-NSHDSACASA-N -1 0 315.329 1.938 20 50 DDGDRM COc1cc(F)cc(NNC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833728713 604941505 /nfs/dbraw/zinc/94/15/05/604941505.db2.gz JAPUEDZLRWMBSL-UHFFFAOYSA-N -1 0 305.265 1.684 20 50 DDGDRM O=C([N-]Nc1cccc(-c2nn[nH]n2)c1)C(F)(F)C(F)F ZINC000826447655 607728273 /nfs/dbraw/zinc/72/82/73/607728273.db2.gz PTGMRYSCTWWSQK-UHFFFAOYSA-N -1 0 304.207 1.210 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(O)cc1 ZINC000833405080 605037922 /nfs/dbraw/zinc/03/79/22/605037922.db2.gz CAQFAVKEIPZKBM-JTQLQIEISA-N -1 0 301.302 1.603 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(N)cc1 ZINC000833406337 605038153 /nfs/dbraw/zinc/03/81/53/605038153.db2.gz MXULZAFHLBQDDB-JTQLQIEISA-N -1 0 300.318 1.480 20 50 DDGDRM O=C([O-])N(CC(=O)NN=c1nc[nH]c2ccsc21)CC1CC1 ZINC000831464548 605126275 /nfs/dbraw/zinc/12/62/75/605126275.db2.gz UDLYLGLLVNUEJX-UHFFFAOYSA-N -1 0 321.362 1.524 20 50 DDGDRM O=C([O-])NNC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000832748091 605189420 /nfs/dbraw/zinc/18/94/20/605189420.db2.gz FHLYELBVTVILFF-UHFFFAOYSA-N -1 0 324.340 1.926 20 50 DDGDRM CCN(CC)C(=O)CCCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833653943 605260981 /nfs/dbraw/zinc/26/09/81/605260981.db2.gz QYGOKUVEYWKRHB-UHFFFAOYSA-N -1 0 321.377 1.867 20 50 DDGDRM CC1(C)OC[C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)O1 ZINC000833563676 605287680 /nfs/dbraw/zinc/28/76/80/605287680.db2.gz LTXGOBNJJYOUSJ-LLVKDONJSA-N -1 0 309.322 1.162 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(OC(F)F)c(F)c1 ZINC000834202084 605384057 /nfs/dbraw/zinc/38/40/57/605384057.db2.gz REVGQUUVOCIDLL-UHFFFAOYSA-N -1 0 305.212 1.145 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)CCCC[C@@H]1CCSS1 ZINC000834200527 605473993 /nfs/dbraw/zinc/47/39/93/605473993.db2.gz MDUOSYWXSIPBPJ-MRVPVSSYSA-N -1 0 321.424 1.116 20 50 DDGDRM CC(C)Cc1ncc(C=NNC(=O)NCCNC(=O)[O-])s1 ZINC000824312432 605474050 /nfs/dbraw/zinc/47/40/50/605474050.db2.gz UUTAQAPMJLTGHI-UHFFFAOYSA-N -1 0 313.383 1.242 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000833970941 605516346 /nfs/dbraw/zinc/51/63/46/605516346.db2.gz YODGFRKJSWVFOQ-RKDXNWHRSA-N -1 0 323.740 1.486 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)c1ccccc1F)C1CC1 ZINC000834125298 605600952 /nfs/dbraw/zinc/60/09/52/605600952.db2.gz CLMREQDHXAWXBK-NSHDSACASA-N -1 0 309.297 1.023 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)COc1cccc(C)c1 ZINC000833800473 605621289 /nfs/dbraw/zinc/62/12/89/605621289.db2.gz BZFDUEOEYQWVNJ-NSHDSACASA-N -1 0 307.350 1.912 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)CNc1ccc(C)cc1 ZINC000833801895 605622357 /nfs/dbraw/zinc/62/23/57/605622357.db2.gz NFZJNSUVLQRCKG-LLVKDONJSA-N -1 0 306.366 1.945 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNc1cnccn1)c1ccccc1 ZINC000834128711 605631733 /nfs/dbraw/zinc/63/17/33/605631733.db2.gz VGTNTRUGKNMTAG-LLVKDONJSA-N -1 0 301.306 1.319 20 50 DDGDRM O=C([O-])NNC(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000834251319 605678112 /nfs/dbraw/zinc/67/81/12/605678112.db2.gz TWMZURPBDCERRD-UHFFFAOYSA-N -1 0 306.322 1.503 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)CNc1ccccc1 ZINC000833454853 605679005 /nfs/dbraw/zinc/67/90/05/605679005.db2.gz VSHQMRBZAWGLFK-UHFFFAOYSA-N -1 0 307.350 1.137 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000833454933 605704578 /nfs/dbraw/zinc/70/45/78/605704578.db2.gz YBTGONCOGKQOIZ-GFCCVEGCSA-N -1 0 320.345 1.029 20 50 DDGDRM O=C([O-])N1CCO[C@H](C(=O)NNc2cccc3c2CCCC3)C1 ZINC000834048928 605735169 /nfs/dbraw/zinc/73/51/69/605735169.db2.gz PGIDYSBEGQCXFO-AWEZNQCLSA-N -1 0 319.361 1.387 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc2ccccc2[nH]c1=O ZINC000834227362 605752451 /nfs/dbraw/zinc/75/24/51/605752451.db2.gz DAWVCICUWJMGAZ-UHFFFAOYSA-N -1 0 302.290 1.048 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)c2ccc[nH]2)c1 ZINC000834266997 605757464 /nfs/dbraw/zinc/75/74/64/605757464.db2.gz NFJULFRNWMDTGG-UHFFFAOYSA-N -1 0 302.290 1.108 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(-n2cccn2)cc1 ZINC000834228747 605800245 /nfs/dbraw/zinc/80/02/45/605800245.db2.gz PVMZZURTHHZBIO-UHFFFAOYSA-N -1 0 315.333 1.370 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1csc2ccccc12 ZINC000834232111 605974151 /nfs/dbraw/zinc/97/41/51/605974151.db2.gz ORPSSCQKTCUBST-UHFFFAOYSA-N -1 0 321.358 1.710 20 50 DDGDRM CCCN(CCNC(=O)NN=c1nc(C)cc(C)[nH]1)C(=O)[O-] ZINC000833855353 605999138 /nfs/dbraw/zinc/99/91/38/605999138.db2.gz UCXNDPOTTAVEHS-UHFFFAOYSA-N -1 0 310.358 1.110 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1ccc(F)cc1F ZINC000834134670 606078873 /nfs/dbraw/zinc/07/88/73/606078873.db2.gz KFNKDUXTBHZXKW-QMMMGPOBSA-N -1 0 309.219 1.699 20 50 DDGDRM O=C([O-])NNC(=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000832749018 603234729 /nfs/dbraw/zinc/23/47/29/603234729.db2.gz YXPFKMDRHSDUJO-UHFFFAOYSA-N -1 0 309.269 1.732 20 50 DDGDRM O=C([O-])NCC1(C(=O)NNC(=O)CCc2ccco2)CCCC1 ZINC000832443028 603649231 /nfs/dbraw/zinc/64/92/31/603649231.db2.gz LEQASXDNRCXXFO-UHFFFAOYSA-N -1 0 323.349 1.188 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2cc(F)c(F)cc2F)C1 ZINC000831907305 603899181 /nfs/dbraw/zinc/89/91/81/603899181.db2.gz BOWHAXXVGVNLHN-GFCCVEGCSA-N -1 0 321.230 1.639 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000830764897 603919812 /nfs/dbraw/zinc/91/98/12/603919812.db2.gz OEYZZRRKCZSRDX-HTQZYQBOSA-N -1 0 313.745 1.318 20 50 DDGDRM O=C([O-])N1CCC[C@@H](NC(=O)NNc2ccc(Cl)nc2)C1 ZINC000831742841 604138496 /nfs/dbraw/zinc/13/84/96/604138496.db2.gz SLIFMVYJMIENOU-SECBINFHSA-N -1 0 313.745 1.504 20 50 DDGDRM O=C([O-])N[C@H](CNC(=O)NN=c1nccc[nH]1)c1ccccc1 ZINC000832136923 604225312 /nfs/dbraw/zinc/22/53/12/604225312.db2.gz WULUXCBEOZSGHY-LLVKDONJSA-N -1 0 316.321 1.112 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c(C)o1 ZINC000832864565 604265905 /nfs/dbraw/zinc/26/59/05/604265905.db2.gz NRMGSDQFFNQCMZ-UHFFFAOYSA-N -1 0 319.317 1.614 20 50 DDGDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1 ZINC000825229956 604278250 /nfs/dbraw/zinc/27/82/50/604278250.db2.gz XIMPSLYKEMUQNX-UWVGGRQHSA-N -1 0 314.386 1.141 20 50 DDGDRM COc1cc(F)cc(NNC(=O)C[C@H]2CCCN2C(=O)[O-])c1 ZINC000829141851 604316061 /nfs/dbraw/zinc/31/60/61/604316061.db2.gz JXAVEWGZMDTXHN-LLVKDONJSA-N -1 0 311.313 1.810 20 50 DDGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@@H]2CC2(C)C)o1 ZINC000824353259 607711322 /nfs/dbraw/zinc/71/13/22/607711322.db2.gz ZVMHNSWFEYBEEA-ZETCQYMHSA-N -1 0 305.342 1.467 20 50 DDGDRM CN(CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000833692627 604939487 /nfs/dbraw/zinc/93/94/87/604939487.db2.gz SMDVMBIJFYXHRM-UHFFFAOYSA-N -1 0 302.674 1.301 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)Cc1ccc(F)cc1)c1cccnc1 ZINC000833118067 604987883 /nfs/dbraw/zinc/98/78/83/604987883.db2.gz HOFNCGDYWIXZJM-AWEZNQCLSA-N -1 0 303.293 1.210 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000832279365 605126029 /nfs/dbraw/zinc/12/60/29/605126029.db2.gz QKGHSAUFTLJJGT-YUMQZZPRSA-N -1 0 321.362 1.571 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c(C)o1 ZINC000829956855 605297205 /nfs/dbraw/zinc/29/72/05/605297205.db2.gz OMMHWESLNLPWPD-SNVBAGLBSA-N -1 0 309.322 1.047 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000832326224 605409627 /nfs/dbraw/zinc/40/96/27/605409627.db2.gz PPXRWDSMDHYWLZ-GXSJLCMTSA-N -1 0 322.321 1.864 20 50 DDGDRM CC(C)C(=O)NNC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000824044264 605578127 /nfs/dbraw/zinc/57/81/27/605578127.db2.gz RKHHOSLPGJOEBZ-GFCCVEGCSA-N -1 0 305.334 1.067 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)C[C@@H](NC(=O)[O-])C2CC2)c(C)o1 ZINC000833899034 605600860 /nfs/dbraw/zinc/60/08/60/605600860.db2.gz WGZIKWNXWODHSA-LLVKDONJSA-N -1 0 309.322 1.094 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833791091 605627748 /nfs/dbraw/zinc/62/77/48/605627748.db2.gz VPCMDZYXLBYWDT-GFCCVEGCSA-N -1 0 321.377 1.969 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNc1cccnn1 ZINC000832356092 605630040 /nfs/dbraw/zinc/63/00/40/605630040.db2.gz AZALTUXIVLXGLT-MNOVXSKESA-N -1 0 307.354 1.526 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NNc1cc(F)c(F)cc1F ZINC000834174150 605740142 /nfs/dbraw/zinc/74/01/42/605740142.db2.gz URSMETMZFQEWRF-LDWIPMOCSA-N -1 0 317.267 1.983 20 50 DDGDRM CC1(C)C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833556437 605746431 /nfs/dbraw/zinc/74/64/31/605746431.db2.gz XCMSVWOMGUJZTH-LBPRGKRZSA-N -1 0 307.350 1.969 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2ccc(Cl)cc2)C1 ZINC000834081508 605763215 /nfs/dbraw/zinc/76/32/15/605763215.db2.gz AYAVNEXVWSVYFP-GFCCVEGCSA-N -1 0 301.705 1.875 20 50 DDGDRM O=C([O-])NCc1nc(C(=O)NNc2ccnc(F)c2)cs1 ZINC000834248845 605875994 /nfs/dbraw/zinc/87/59/94/605875994.db2.gz KNFXWSPCRDIZDJ-UHFFFAOYSA-N -1 0 311.298 1.202 20 50 DDGDRM O=C([O-])Nc1cccc(OS(=O)(=O)CBr)c1 ZINC000834268617 605954743 /nfs/dbraw/zinc/95/47/43/605954743.db2.gz RCLDTPMLKCPCHX-UHFFFAOYSA-N -1 0 310.125 1.838 20 50 DDGDRM O=C([O-])NCCC(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000834228204 606001548 /nfs/dbraw/zinc/00/15/48/606001548.db2.gz FARLFCKONBJKPH-UHFFFAOYSA-N -1 0 309.219 1.945 20 50 DDGDRM CCOC(=O)C(C#N)=CNc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829817920 600669565 /nfs/dbraw/zinc/66/95/65/600669565.db2.gz NNGYQEVYNMVJRV-CMDGGOBGSA-N -1 0 318.285 1.554 20 50 DDGDRM O=C([O-])COc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1 ZINC000833253570 600814129 /nfs/dbraw/zinc/81/41/29/600814129.db2.gz KFXHVBXKDGBQSB-UHFFFAOYSA-N -1 0 321.720 1.955 20 50 DDGDRM N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833061678 601460191 /nfs/dbraw/zinc/46/01/91/601460191.db2.gz FIMBSVZRPJDCBO-PCGBIVOZSA-N -1 0 317.301 1.635 20 50 DDGDRM Cc1ccc(C(=O)[N-]NC(=O)Nc2nc(CC(=O)[O-])cs2)o1 ZINC000832911413 601527739 /nfs/dbraw/zinc/52/77/39/601527739.db2.gz DYARVHYONFEZMM-UHFFFAOYSA-N -1 0 324.318 1.138 20 50 DDGDRM CCOC(=O)NNC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827328941 603217881 /nfs/dbraw/zinc/21/78/81/603217881.db2.gz RXZZRZOBSMBPIR-KOLCDFICSA-N -1 0 309.322 1.409 20 50 DDGDRM C[C@H](C(=O)NN=c1nccc[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702089 603293513 /nfs/dbraw/zinc/29/35/13/603293513.db2.gz JEDKDPKYLZKBTL-CMPLNLGQSA-N -1 0 315.333 1.565 20 50 DDGDRM O=C([O-])NNC(=S)NCc1ccc(Br)cc1 ZINC000832748751 603582583 /nfs/dbraw/zinc/58/25/83/603582583.db2.gz SYAGXFRFBAZHIW-UHFFFAOYSA-N -1 0 304.169 1.596 20 50 DDGDRM C[C@H](NC(=S)NNC(=O)c1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000825465123 603611567 /nfs/dbraw/zinc/61/15/67/603611567.db2.gz HONUOCHFYUWMRJ-QMMMGPOBSA-N -1 0 322.390 1.684 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1 ZINC000823964775 603613323 /nfs/dbraw/zinc/61/33/23/603613323.db2.gz MODQWMKCQDRNOP-UHFFFAOYSA-N -1 0 313.741 1.395 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)nn2)C1 ZINC000832323750 603634057 /nfs/dbraw/zinc/63/40/57/603634057.db2.gz GGIGPFVWMUPTCL-SFYZADRCSA-N -1 0 313.745 1.400 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNc1ccc(F)c(F)c1F ZINC000823965069 603797257 /nfs/dbraw/zinc/79/72/57/603797257.db2.gz SDYHDBJSAOLFFN-UHFFFAOYSA-N -1 0 305.256 1.841 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNc1cnnc2ccccc21 ZINC000823964965 603799564 /nfs/dbraw/zinc/79/95/64/603799564.db2.gz PJNZBRAVOFICBC-UHFFFAOYSA-N -1 0 303.322 1.367 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])n1 ZINC000830026082 603835266 /nfs/dbraw/zinc/83/52/66/603835266.db2.gz WBAMZIUAQASYNA-WDEREUQCSA-N -1 0 322.369 1.156 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])[nH]c1 ZINC000830396347 603849090 /nfs/dbraw/zinc/84/90/90/603849090.db2.gz YYNGCZOOSIBGFW-QWRGUYRKSA-N -1 0 307.354 1.452 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NN=c1nccc[nH]1 ZINC000832361704 603953699 /nfs/dbraw/zinc/95/36/99/603953699.db2.gz XOLLBQHJGWRKOS-QWRGUYRKSA-N -1 0 307.354 1.526 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NN=c1[nH]cccc1C(F)(F)F ZINC000831742534 604005166 /nfs/dbraw/zinc/00/51/66/604005166.db2.gz JLUPEJCMRZQIJS-MRVPVSSYSA-N -1 0 318.255 1.686 20 50 DDGDRM O=C([O-])Nc1ccc(C(=O)NN=c2[nH]cccc2[N+](=O)[O-])cc1 ZINC000832837918 604313389 /nfs/dbraw/zinc/31/33/89/604313389.db2.gz AXLOMUKRLCLJPU-UHFFFAOYSA-N -1 0 317.261 1.837 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000833183886 604708664 /nfs/dbraw/zinc/70/86/64/604708664.db2.gz LOISFDUZIYTKHC-UWVGGRQHSA-N -1 0 307.306 1.929 20 50 DDGDRM CC(C)Cn1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cn1 ZINC000833493761 605124116 /nfs/dbraw/zinc/12/41/16/605124116.db2.gz IODKVNXMQRPODM-UHFFFAOYSA-N -1 0 303.322 1.389 20 50 DDGDRM CC[C@H](NC(=O)[O-])C(=O)NN=c1[nH]cccc1C(F)(F)F ZINC000827524355 605156968 /nfs/dbraw/zinc/15/69/68/605156968.db2.gz IDHNJZIZMSNKFD-ZETCQYMHSA-N -1 0 306.244 1.590 20 50 DDGDRM C[C@H]1C(=NNC(=O)NCCNC(=O)[O-])C[C@@H]1c1ccccc1 ZINC000825779208 605238645 /nfs/dbraw/zinc/23/86/45/605238645.db2.gz WTJHYNFGPNNLOK-PWSUYJOCSA-N -1 0 304.350 1.733 20 50 DDGDRM CN(CC(=O)NNc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000833691748 605261024 /nfs/dbraw/zinc/26/10/24/605261024.db2.gz HALFLDXIUOXEAK-UHFFFAOYSA-N -1 0 323.349 1.695 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(OCC(F)F)cc1 ZINC000834201365 605384177 /nfs/dbraw/zinc/38/41/77/605384177.db2.gz JXNHUVDWEWCNTL-UHFFFAOYSA-N -1 0 301.249 1.048 20 50 DDGDRM O=C([O-])N1CC(C(=O)NNC(=O)c2cccc3ccccc32)C1 ZINC000834046270 605559808 /nfs/dbraw/zinc/55/98/08/605559808.db2.gz ZWJCTHHHXHXRME-UHFFFAOYSA-N -1 0 313.313 1.211 20 50 DDGDRM CC(C)C(=O)NNC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-] ZINC000824044265 605577776 /nfs/dbraw/zinc/57/77/76/605577776.db2.gz RKHHOSLPGJOEBZ-LBPRGKRZSA-N -1 0 305.334 1.067 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000833384701 605587339 /nfs/dbraw/zinc/58/73/39/605587339.db2.gz MBHBMHXFJYTHHI-UHFFFAOYSA-N -1 0 303.240 1.813 20 50 DDGDRM O=C([O-])NNC(=O)Nc1ccccc1I ZINC000834250350 605675102 /nfs/dbraw/zinc/67/51/02/605675102.db2.gz HHUUWGQIMWYVKC-UHFFFAOYSA-N -1 0 321.074 1.595 20 50 DDGDRM COc1ccc(O)c(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833733471 605722744 /nfs/dbraw/zinc/72/27/44/605722744.db2.gz QQYYIBWQXZIHIW-UHFFFAOYSA-N -1 0 302.286 1.856 20 50 DDGDRM Cc1noc(C)c1CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833757752 605744700 /nfs/dbraw/zinc/74/47/00/605744700.db2.gz RTCKLZPUGQARJT-UHFFFAOYSA-N -1 0 318.333 1.858 20 50 DDGDRM O=C([O-])N[C@@H]1CC(=NNC(=O)Cc2ccncc2)c2ccccc21 ZINC000834156891 605745287 /nfs/dbraw/zinc/74/52/87/605745287.db2.gz DLFFXNUEQSRSBY-CQSZACIVSA-N -1 0 324.340 1.857 20 50 DDGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)C1CCOCC1 ZINC000833520864 605746098 /nfs/dbraw/zinc/74/60/98/605746098.db2.gz JACYYVPASAHXET-JTQLQIEISA-N -1 0 307.350 1.826 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)CC/C=C\c1ccccc1 ZINC000834227201 605845086 /nfs/dbraw/zinc/84/50/86/605845086.db2.gz ODUHADJYVIZVHA-YWEYNIOJSA-N -1 0 305.334 1.285 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)Cc1cn2ccccc2n1 ZINC000834168277 605861018 /nfs/dbraw/zinc/86/10/18/605861018.db2.gz GWDCIJWOFSCHAV-LLVKDONJSA-N -1 0 315.333 1.169 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CCCNC(=O)[O-])cc(C)c1F ZINC000833899227 605974408 /nfs/dbraw/zinc/97/44/08/605974408.db2.gz YRJFEAQOIJQGQN-UHFFFAOYSA-N -1 0 311.313 1.251 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2cc(Cl)ccn2)cn1 ZINC000834276662 606065446 /nfs/dbraw/zinc/06/54/46/606065446.db2.gz CGDBEYGLTQBNCU-UHFFFAOYSA-N -1 0 308.685 1.372 20 50 DDGDRM O=C(CC(F)(F)F)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826403753 608576409 /nfs/dbraw/zinc/57/64/09/608576409.db2.gz BMOUJXSSDBJHMQ-UHFFFAOYSA-N -1 0 321.650 1.311 20 50 DDGDRM Cn1cc(C=C(C#N)C(=O)[O-])c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360168 609303135 /nfs/dbraw/zinc/30/31/35/609303135.db2.gz ZMLHQPBUSAIYGF-WDZFZDKYSA-N -1 0 321.300 1.259 20 50 DDGDRM N#CC(C#N)=CN[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833065013 601294462 /nfs/dbraw/zinc/29/44/62/601294462.db2.gz ZLQWEOWNZKLXSM-SNVBAGLBSA-N -1 0 302.315 1.072 20 50 DDGDRM N#CC(C#N)=CN[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833065009 601294618 /nfs/dbraw/zinc/29/46/18/601294618.db2.gz ZLQWEOWNZKLXSM-JTQLQIEISA-N -1 0 302.315 1.072 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNC(=O)Cc1ccc(F)cc1 ZINC000831557368 603231784 /nfs/dbraw/zinc/23/17/84/603231784.db2.gz FZZFZEMQGSHPHJ-LBPRGKRZSA-N -1 0 323.324 1.048 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000831731316 603856522 /nfs/dbraw/zinc/85/65/22/603856522.db2.gz VUPKAYAWOPENGY-UHFFFAOYSA-N -1 0 320.305 1.700 20 50 DDGDRM O=C([O-])N[C@@H](CNC(=O)NNc1ccccn1)c1ccccc1 ZINC000832135254 603889168 /nfs/dbraw/zinc/88/91/68/603889168.db2.gz JUZNSGIBRHBOPJ-LBPRGKRZSA-N -1 0 315.333 1.717 20 50 DDGDRM O=C([O-])N1CCC(CC(=O)NNc2cccnc2Cl)CC1 ZINC000831351279 604103480 /nfs/dbraw/zinc/10/34/80/604103480.db2.gz WFFAWWYVQSTLOZ-UHFFFAOYSA-N -1 0 312.757 1.958 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@@H](CC(C)C)NC(=O)[O-])c1 ZINC000829142321 604316348 /nfs/dbraw/zinc/31/63/48/604316348.db2.gz POYTXTVDTQRTKN-GFCCVEGCSA-N -1 0 313.329 1.960 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)C(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000824671866 604715454 /nfs/dbraw/zinc/71/54/54/604715454.db2.gz NBQTYNFMEKWCKI-JTQLQIEISA-N -1 0 313.398 1.596 20 50 DDGDRM CC(C)(C)OC(=O)NCCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833443324 604802264 /nfs/dbraw/zinc/80/22/64/604802264.db2.gz VVXSMTKADWPHNK-UHFFFAOYSA-N -1 0 324.337 1.138 20 50 DDGDRM C[C@@H]1C(=NNC(=O)NCCNC(=O)[O-])C[C@@H]1c1ccccc1 ZINC000825779207 605238733 /nfs/dbraw/zinc/23/87/33/605238733.db2.gz WTJHYNFGPNNLOK-JQWIXIFHSA-N -1 0 304.350 1.733 20 50 DDGDRM O=C(COC1CN(C(=O)[O-])C1)NN=c1ccc2ccccc2[nH]1 ZINC000834012045 605321890 /nfs/dbraw/zinc/32/18/90/605321890.db2.gz SYNAJAYSJGJRGD-UHFFFAOYSA-N -1 0 316.317 1.057 20 50 DDGDRM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NN=c1nccc[nH]1 ZINC000831742376 605614417 /nfs/dbraw/zinc/61/44/17/605614417.db2.gz CUQMNVKGPJZPKQ-GFCCVEGCSA-N -1 0 313.317 1.197 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)COc1ccccc1C#N ZINC000833801849 605622313 /nfs/dbraw/zinc/62/23/13/605622313.db2.gz MRAKZWUQFJTPHR-JTQLQIEISA-N -1 0 318.333 1.475 20 50 DDGDRM O=C([O-])N[C@@H](C(=O)NNc1ncc(F)cn1)c1ccccc1 ZINC000834251461 605693370 /nfs/dbraw/zinc/69/33/70/605693370.db2.gz PNPVIIKWJPKLCK-SNVBAGLBSA-N -1 0 305.269 1.068 20 50 DDGDRM O=C([O-])N1CCCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834049061 605714872 /nfs/dbraw/zinc/71/48/72/605714872.db2.gz XLYFLYFUEZUZCR-LLVKDONJSA-N -1 0 308.294 1.570 20 50 DDGDRM Cn1cc(C(=O)NN=C2CCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cn1 ZINC000833943041 605724790 /nfs/dbraw/zinc/72/47/90/605724790.db2.gz FOUJJLAHFPUFHT-WCQYABFASA-N -1 0 319.365 1.448 20 50 DDGDRM CC(=O)N1CCC[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833390749 605734113 /nfs/dbraw/zinc/73/41/13/605734113.db2.gz BHZMFKJLONPJLB-GFCCVEGCSA-N -1 0 305.334 1.086 20 50 DDGDRM CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)N1CCCC1=O ZINC000833635826 605737819 /nfs/dbraw/zinc/73/78/19/605737819.db2.gz AUUDIXJLXHRAFI-LBPRGKRZSA-N -1 0 305.334 1.229 20 50 DDGDRM C[C@@H]1C[C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833594944 605748964 /nfs/dbraw/zinc/74/89/64/605748964.db2.gz GWTCLOBLEVXNOV-MNOVXSKESA-N -1 0 307.350 1.826 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1c(F)cccc1Cl ZINC000834228707 605797114 /nfs/dbraw/zinc/79/71/14/605797114.db2.gz OAZCIEIRLDKMLX-UHFFFAOYSA-N -1 0 301.705 1.977 20 50 DDGDRM CCC1CCC(NC(=O)NNC(=O)CCCNC(=O)[O-])CC1 ZINC000833846037 605811094 /nfs/dbraw/zinc/81/10/94/605811094.db2.gz PQQJIAVNFDIRHR-UHFFFAOYSA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)Nc1cccc(Cl)c1 ZINC000834232721 605814352 /nfs/dbraw/zinc/81/43/52/605814352.db2.gz VZESYDSUWSGEPR-UHFFFAOYSA-N -1 0 314.729 1.541 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000834226991 605842322 /nfs/dbraw/zinc/84/23/22/605842322.db2.gz GYRZDFFQCLHVRQ-LBPRGKRZSA-N -1 0 319.361 1.302 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cc2c(cccc2F)[nH]1 ZINC000834230185 605976464 /nfs/dbraw/zinc/97/64/64/605976464.db2.gz UXENCMGKQJDFKA-UHFFFAOYSA-N -1 0 322.296 1.116 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000834048353 606034094 /nfs/dbraw/zinc/03/40/94/606034094.db2.gz OKGSNFIWJCLEDV-LURJTMIESA-N -1 0 319.243 1.081 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@@H]1C[C@H]1C1CC1 ZINC000826445182 608578953 /nfs/dbraw/zinc/57/89/53/608578953.db2.gz JYRJWSGARTXVPD-DTWKUNHWSA-N -1 0 319.756 1.404 20 50 DDGDRM CC(C)(C)C=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824077392 608626943 /nfs/dbraw/zinc/62/69/43/608626943.db2.gz ATUPZMZGTFKLPL-SNAWJCMRSA-N -1 0 321.772 1.961 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000827304760 602101323 /nfs/dbraw/zinc/10/13/23/602101323.db2.gz ZSEXIMJUQOQTSH-ZCFIWIBFSA-N -1 0 301.686 1.802 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1CCC2(CCOCC2)CC1 ZINC000832653060 603580734 /nfs/dbraw/zinc/58/07/34/603580734.db2.gz POSKOWLHBZPVGT-UHFFFAOYSA-N -1 0 312.370 1.280 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NN=c2[nH]ccnc2Cl)C1 ZINC000832325492 603622697 /nfs/dbraw/zinc/62/26/97/603622697.db2.gz MGLBEOXLQQFVQI-JGVFFNPUSA-N -1 0 313.745 1.400 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NN=c1nccc[nH]1 ZINC000832361703 603953894 /nfs/dbraw/zinc/95/38/94/603953894.db2.gz XOLLBQHJGWRKOS-MNOVXSKESA-N -1 0 307.354 1.526 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNc2cnnc3ccccc32)CCC1 ZINC000832207296 604223302 /nfs/dbraw/zinc/22/33/02/604223302.db2.gz VAGGXIVEELLUJT-UHFFFAOYSA-N -1 0 315.333 1.653 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNc2nccnc2Cl)cc1F ZINC000833148203 604275986 /nfs/dbraw/zinc/27/59/86/604275986.db2.gz DRJNFLGXPXCKHK-UHFFFAOYSA-N -1 0 310.672 1.724 20 50 DDGDRM COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(C(=O)[O-])cc1 ZINC000831757223 604641911 /nfs/dbraw/zinc/64/19/11/604641911.db2.gz LICPYCYWRCEMAA-NSHDSACASA-N -1 0 308.334 1.277 20 50 DDGDRM CC(C)NC(=O)NNC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000824373970 604784616 /nfs/dbraw/zinc/78/46/16/604784616.db2.gz NLXDARBKCMXBTQ-JTQLQIEISA-N -1 0 314.386 1.141 20 50 DDGDRM C[C@H](Oc1cccc(F)c1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833541895 604800701 /nfs/dbraw/zinc/80/07/01/604800701.db2.gz WWLMZXBCFUUBTE-VIFPVBQESA-N -1 0 319.292 1.830 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2ccc(F)c(NC(=O)[O-])c2)[nH]n1 ZINC000829961187 604930594 /nfs/dbraw/zinc/93/05/94/604930594.db2.gz BDIHDGQLEFUJNP-UHFFFAOYSA-N -1 0 321.268 1.022 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccccc1F ZINC000833406492 605040069 /nfs/dbraw/zinc/04/00/69/605040069.db2.gz HBVMUCMMNNHLQM-LLVKDONJSA-N -1 0 317.320 1.966 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)CCc1ccco1 ZINC000833406452 605040189 /nfs/dbraw/zinc/04/01/89/605040189.db2.gz GTKWFBZXIWFWMK-LLVKDONJSA-N -1 0 303.318 1.810 20 50 DDGDRM CCC[C@H](NC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000826756957 605125128 /nfs/dbraw/zinc/12/51/28/605125128.db2.gz BKCCLJOKSCHLRV-QMMMGPOBSA-N -1 0 309.351 1.571 20 50 DDGDRM Cc1cc(CSc2ncccc2C(=O)NNC(=O)[O-])no1 ZINC000830044929 605185963 /nfs/dbraw/zinc/18/59/63/605185963.db2.gz KVGVRBGPZSCKSY-UHFFFAOYSA-N -1 0 308.319 1.583 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1ccc(F)cc1Cl ZINC000832652875 605240050 /nfs/dbraw/zinc/24/00/50/605240050.db2.gz MIDJTWYDSLWKEY-UHFFFAOYSA-N -1 0 302.693 1.380 20 50 DDGDRM CC(=O)N[C@H](C(=O)NNc1ccccc1C(=O)[O-])C1CCCC1 ZINC000833394624 605283091 /nfs/dbraw/zinc/28/30/91/605283091.db2.gz CAFRABMPXQBJQK-AWEZNQCLSA-N -1 0 319.361 1.523 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CC2(CCCC2)Oc2ccccc21 ZINC000834199537 605381535 /nfs/dbraw/zinc/38/15/35/605381535.db2.gz AHRYDQHVFJDZCQ-UHFFFAOYSA-N -1 0 317.345 1.870 20 50 DDGDRM COc1ccc2cc(C(C)=NNC(=O)CNC(=O)[O-])ccc2c1 ZINC000833892225 605382845 /nfs/dbraw/zinc/38/28/45/605382845.db2.gz NIKZAYJLKUKQQN-UHFFFAOYSA-N -1 0 315.329 1.956 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833422963 605436701 /nfs/dbraw/zinc/43/67/01/605436701.db2.gz QUNIBNCYCAGLGX-UHFFFAOYSA-N -1 0 313.398 1.788 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)CN1CCCc2ccccc21 ZINC000832605471 605461628 /nfs/dbraw/zinc/46/16/28/605461628.db2.gz YGFPAXHICRRTCO-UHFFFAOYSA-N -1 0 304.350 1.199 20 50 DDGDRM Cc1ccc(NC(=O)C(=O)NN=CCCNC(=O)[O-])cc1C ZINC000830353018 605463846 /nfs/dbraw/zinc/46/38/46/605463846.db2.gz LRQXSENENYNSJM-UHFFFAOYSA-N -1 0 306.322 1.002 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000824233504 605521587 /nfs/dbraw/zinc/52/15/87/605521587.db2.gz ZFKWPCCDNGVSMG-QWRGUYRKSA-N -1 0 314.386 1.284 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NN=c1[nH]ccnc1Cl ZINC000833998289 605567758 /nfs/dbraw/zinc/56/77/58/605567758.db2.gz NPDWYRXVWYLQJF-QMMMGPOBSA-N -1 0 313.745 1.496 20 50 DDGDRM O=C([O-])NNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000834250619 605623627 /nfs/dbraw/zinc/62/36/27/605623627.db2.gz LCKOFHMVFHQDTE-UHFFFAOYSA-N -1 0 300.261 1.312 20 50 DDGDRM N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000833960303 605641921 /nfs/dbraw/zinc/64/19/21/605641921.db2.gz HUBRMLGPJOHVCJ-FMIVXFBMSA-N -1 0 317.320 1.991 20 50 DDGDRM N#Cc1ccc(NNC(=O)C2(NC(=O)[O-])CCCCC2)cc1 ZINC000833976816 605718842 /nfs/dbraw/zinc/71/88/42/605718842.db2.gz YKYHZYWOFCIKMA-UHFFFAOYSA-N -1 0 302.334 1.972 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2ccccc2Cl)C1 ZINC000834085154 605723515 /nfs/dbraw/zinc/72/35/15/605723515.db2.gz QKOVOZBVPGXNAM-LBPRGKRZSA-N -1 0 301.705 1.875 20 50 DDGDRM Cc1csc2nc(C)c(C=NNC(=O)CCCNC(=O)[O-])n12 ZINC000833916077 605796240 /nfs/dbraw/zinc/79/62/40/605796240.db2.gz UQIZFHXOOFSSRE-UHFFFAOYSA-N -1 0 323.378 1.511 20 50 DDGDRM CC[C@@H]1CCC[C@@H](NC(=O)NNC(=O)CCCNC(=O)[O-])C1 ZINC000833846411 605820970 /nfs/dbraw/zinc/82/09/70/605820970.db2.gz RUALMMXKKBMGMK-GHMZBOCLSA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000834167923 605857224 /nfs/dbraw/zinc/85/72/24/605857224.db2.gz DTFNQFGQKLAOBH-SNVBAGLBSA-N -1 0 306.278 1.501 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C/C=C/c1ccc(F)cc1 ZINC000834230297 605976436 /nfs/dbraw/zinc/97/64/36/605976436.db2.gz BQOJKUHNCZIMKH-HNQUOIGGSA-N -1 0 323.324 1.424 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1c(F)cccc1F ZINC000834134522 606078978 /nfs/dbraw/zinc/07/89/78/606078978.db2.gz JIJWOJUUBIUWDG-SSDOTTSWSA-N -1 0 309.219 1.699 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1=CCCC1 ZINC000826445136 608628561 /nfs/dbraw/zinc/62/85/61/608628561.db2.gz IGKBSCLZQIZUDI-UHFFFAOYSA-N -1 0 305.729 1.469 20 50 DDGDRM O=C([O-])NC[C@@H](C(=O)NNC(=O)c1ccoc1)c1ccccc1 ZINC000832408006 602770271 /nfs/dbraw/zinc/77/02/71/602770271.db2.gz MKIVFNISPQNVGP-GFCCVEGCSA-N -1 0 317.301 1.092 20 50 DDGDRM CC(C)C(=O)NNC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000824043816 603435073 /nfs/dbraw/zinc/43/50/73/603435073.db2.gz MHYPXIYYAKSUOQ-GFCCVEGCSA-N -1 0 307.350 1.059 20 50 DDGDRM Cc1cccc(NC(=S)NNC(=O)C[C@H](C)NC(=O)[O-])c1C ZINC000830521749 603448608 /nfs/dbraw/zinc/44/86/08/603448608.db2.gz LKLZJUOBNQKCJQ-VIFPVBQESA-N -1 0 324.406 1.667 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000823754254 603482917 /nfs/dbraw/zinc/48/29/17/603482917.db2.gz FMNKVRBVTLKSQL-LBPRGKRZSA-N -1 0 321.377 1.449 20 50 DDGDRM CCC(CC)(CNC(=O)NNc1ccc(F)cn1)NC(=O)[O-] ZINC000826541053 603548871 /nfs/dbraw/zinc/54/88/71/603548871.db2.gz OCZLGYIHZGPLAK-UHFFFAOYSA-N -1 0 313.333 1.673 20 50 DDGDRM Cc1cc2cc(C=NNC(=O)NCCNC(=O)[O-])oc2cc1C ZINC000830143398 603826695 /nfs/dbraw/zinc/82/66/95/603826695.db2.gz HPFPJUXOWUTWMT-UHFFFAOYSA-N -1 0 318.333 1.950 20 50 DDGDRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(F)cn1 ZINC000832473965 603858395 /nfs/dbraw/zinc/85/83/95/603858395.db2.gz GCZCNGQHRWBJFO-SCZZXKLOSA-N -1 0 311.317 1.283 20 50 DDGDRM C[C@]1(C(=O)NNc2ccccc2[N+](=O)[O-])CCN(C(=O)[O-])C1 ZINC000825677859 603859604 /nfs/dbraw/zinc/85/96/04/603859604.db2.gz KZEOGSJRFBYEKA-ZDUSSCGKSA-N -1 0 308.294 1.428 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])[nH]c1 ZINC000830396368 603868600 /nfs/dbraw/zinc/86/86/00/603868600.db2.gz ZVKZSWBCRDLEFE-NEPJUHHUSA-N -1 0 321.381 1.843 20 50 DDGDRM CSCC[C@H](NC(=O)[O-])C(=O)NNc1ccc(Cl)nc1 ZINC000829730159 604030029 /nfs/dbraw/zinc/03/00/29/604030029.db2.gz KRBNRIJVPGUEJW-QMMMGPOBSA-N -1 0 318.786 1.567 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830586084 604031658 /nfs/dbraw/zinc/03/16/58/604031658.db2.gz JEHWYLMBJFRVJV-GHMZBOCLSA-N -1 0 320.349 1.584 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)CC2(NC(=O)[O-])CCC2)o1 ZINC000824482583 604128469 /nfs/dbraw/zinc/12/84/69/604128469.db2.gz OXXRYLQQDIRBMY-UHFFFAOYSA-N -1 0 321.337 1.693 20 50 DDGDRM O=C([O-])NNC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000832748236 604158041 /nfs/dbraw/zinc/15/80/41/604158041.db2.gz FZBRSWYZRHRLQB-VIFPVBQESA-N -1 0 312.757 1.791 20 50 DDGDRM COc1ccccc1C(=O)NNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000829586484 604162306 /nfs/dbraw/zinc/16/23/06/604162306.db2.gz YVFOTPOQGIMILS-UHFFFAOYSA-N -1 0 321.333 1.037 20 50 DDGDRM CN(CCN1CCN(C(=O)[O-])CC1)/C(=C\C#N)c1ccccc1 ZINC000828312246 604217486 /nfs/dbraw/zinc/21/74/86/604217486.db2.gz IYEYTRABPKQLBD-APSNUPSMSA-N -1 0 314.389 1.778 20 50 DDGDRM O=C([O-])N1CC(NC(=O)NNc2cc(Cl)ccc2Cl)C1 ZINC000833148486 604610417 /nfs/dbraw/zinc/61/04/17/604610417.db2.gz KNPVJPLWPUSNFQ-UHFFFAOYSA-N -1 0 319.148 1.982 20 50 DDGDRM CC(=NNC(=O)c1cccnc1)c1ccccc1OCC(=O)[O-] ZINC000833385029 605323495 /nfs/dbraw/zinc/32/34/95/605323495.db2.gz RGWJYUNBROGJGE-UHFFFAOYSA-N -1 0 313.313 1.699 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(N2CCCCC2)s1 ZINC000834201604 605387445 /nfs/dbraw/zinc/38/74/45/605387445.db2.gz MADUBUUTJPANIT-UHFFFAOYSA-N -1 0 310.379 1.456 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1cccc(-c2ccncc2)c1 ZINC000833384062 605589110 /nfs/dbraw/zinc/58/91/10/605589110.db2.gz ARVANKQUQMPOJW-UHFFFAOYSA-N -1 0 312.329 1.856 20 50 DDGDRM Cc1cc(NNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])ncn1 ZINC000830122746 605611750 /nfs/dbraw/zinc/61/17/50/605611750.db2.gz PCYUTCUEGMJRIF-NEPJUHHUSA-N -1 0 321.381 1.835 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)COc1ccc(C)cc1 ZINC000833800973 605621431 /nfs/dbraw/zinc/62/14/31/605621431.db2.gz GDARGEWBTYZAPZ-LLVKDONJSA-N -1 0 307.350 1.912 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)C(=O)Nc1ccc(C)cc1 ZINC000833801828 605624881 /nfs/dbraw/zinc/62/48/81/605624881.db2.gz MLDCYFZUXDAKOL-JTQLQIEISA-N -1 0 320.349 1.472 20 50 DDGDRM CC(C)CN1C[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2)CC1=O ZINC000833488308 605734823 /nfs/dbraw/zinc/73/48/23/605734823.db2.gz MDCXXTHBRFWOBF-LBPRGKRZSA-N -1 0 319.361 1.332 20 50 DDGDRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NNc1cccc2c1CCCC2 ZINC000834048008 605735103 /nfs/dbraw/zinc/73/51/03/605735103.db2.gz IRZOREWWSGZZHC-BXUZGUMPSA-N -1 0 319.361 1.122 20 50 DDGDRM COc1ccc2ccccc2c1C=NNC(=O)CCNC(=O)[O-] ZINC000833892730 605746424 /nfs/dbraw/zinc/74/64/24/605746424.db2.gz XKEJJKHBRTXTSA-UHFFFAOYSA-N -1 0 315.329 1.956 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cnc(C2CCCC2)s1 ZINC000834227115 605749526 /nfs/dbraw/zinc/74/95/26/605749526.db2.gz JVPDEENYUIYHLC-UHFFFAOYSA-N -1 0 310.379 1.909 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc([N+](=O)[O-])s1 ZINC000834229023 605942458 /nfs/dbraw/zinc/94/24/58/605942458.db2.gz YFOVOUJNLIRGMP-UHFFFAOYSA-N -1 0 300.296 1.154 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C/C=C\c1ccc(F)cc1 ZINC000834230300 605976440 /nfs/dbraw/zinc/97/64/40/605976440.db2.gz BQOJKUHNCZIMKH-IWQZZHSRSA-N -1 0 323.324 1.424 20 50 DDGDRM CCCN(CCNC(=O)NNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000833854850 606015800 /nfs/dbraw/zinc/01/58/00/606015800.db2.gz BYLPBQPQFHRNKX-UHFFFAOYSA-N -1 0 304.347 1.115 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cccs1 ZINC000826445848 608577593 /nfs/dbraw/zinc/57/75/93/608577593.db2.gz NJSMBCOOICKJAI-UHFFFAOYSA-N -1 0 321.753 1.734 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2F)C1 ZINC000833149080 600835239 /nfs/dbraw/zinc/83/52/39/600835239.db2.gz DFQXFTIOVGILHN-UWVGGRQHSA-N -1 0 308.309 1.478 20 50 DDGDRM COc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832588979 600943102 /nfs/dbraw/zinc/94/31/02/600943102.db2.gz JBQLLOJMDOXLBI-QWRGUYRKSA-N -1 0 320.345 1.347 20 50 DDGDRM C[C@H](C(=O)NNC(=O)C1CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823701120 603221316 /nfs/dbraw/zinc/22/13/16/603221316.db2.gz ACAJNJCFSWCETO-JOYOIKCWSA-N -1 0 305.334 1.189 20 50 DDGDRM Cc1cccc(NC(=S)NNC(=O)C[C@@H](C)NC(=O)[O-])c1C ZINC000830521747 603448749 /nfs/dbraw/zinc/44/87/49/603448749.db2.gz LKLZJUOBNQKCJQ-SECBINFHSA-N -1 0 324.406 1.667 20 50 DDGDRM CC(C)(C(=O)NNc1ccc(F)cc1)N1CCN(C(=O)[O-])CC1 ZINC000823743535 603644359 /nfs/dbraw/zinc/64/43/59/603644359.db2.gz JNFOHXSMMISZND-UHFFFAOYSA-N -1 0 324.356 1.343 20 50 DDGDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NNc1cccc(C#N)c1 ZINC000824205045 603665758 /nfs/dbraw/zinc/66/57/58/603665758.db2.gz YPRBIYRPLWNJHX-CYBMUJFWSA-N -1 0 319.365 1.867 20 50 DDGDRM CCC(CC)(CNC(=O)NNC(=O)OC(C)(C)C)NC(=O)[O-] ZINC000826540968 603668331 /nfs/dbraw/zinc/66/83/31/603668331.db2.gz KEHDCPSNZSSFEK-UHFFFAOYSA-N -1 0 318.374 1.552 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000823754347 603780228 /nfs/dbraw/zinc/78/02/28/603780228.db2.gz INBYJZNVMMJGQG-UWVGGRQHSA-N -1 0 314.386 1.189 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 ZINC000832356112 603937805 /nfs/dbraw/zinc/93/78/05/603937805.db2.gz BELMRWGQUBEOFC-QWRGUYRKSA-N -1 0 322.365 1.382 20 50 DDGDRM CCN(CCCNC(=O)NNc1ccc(Cl)nc1)C(=O)[O-] ZINC000827124343 604005305 /nfs/dbraw/zinc/00/53/05/604005305.db2.gz PRIAZKNOKMWELZ-UHFFFAOYSA-N -1 0 315.761 1.751 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000823964413 604005465 /nfs/dbraw/zinc/00/54/65/604005465.db2.gz DSWWTPUOXGPVPU-UHFFFAOYSA-N -1 0 319.321 1.072 20 50 DDGDRM COc1ccc(NNC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000829483832 604219677 /nfs/dbraw/zinc/21/96/77/604219677.db2.gz MHZXDGXWUSQMTE-UHFFFAOYSA-N -1 0 322.346 1.676 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NN=c1[nH]cccc1C(F)(F)F ZINC000824867798 604222992 /nfs/dbraw/zinc/22/29/92/604222992.db2.gz FPTCINBRWWWEJH-SSDOTTSWSA-N -1 0 320.271 1.789 20 50 DDGDRM C[C@H](CC(=O)NN=c1nccc[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680277 604299582 /nfs/dbraw/zinc/29/95/82/604299582.db2.gz TUGFHTBEGOCYIZ-GHMZBOCLSA-N -1 0 307.354 1.336 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833422647 604598058 /nfs/dbraw/zinc/59/80/58/604598058.db2.gz LJBQHAQAZZJALO-UHFFFAOYSA-N -1 0 321.377 1.694 20 50 DDGDRM CN(CC(=O)NNc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000828115025 604770353 /nfs/dbraw/zinc/77/03/53/604770353.db2.gz OMYXPSJUBXBDFN-UHFFFAOYSA-N -1 0 307.228 1.638 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cc(Br)ccc1F ZINC000834200129 605384681 /nfs/dbraw/zinc/38/46/81/605384681.db2.gz ZJWUOJQSTHCSRQ-UHFFFAOYSA-N -1 0 318.102 1.306 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000823754425 605585990 /nfs/dbraw/zinc/58/59/90/605585990.db2.gz KQBBBWMFDYEWAD-NSHDSACASA-N -1 0 307.350 1.579 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNc1cnccn1)c1ccccc1 ZINC000834128712 605631922 /nfs/dbraw/zinc/63/19/22/605631922.db2.gz VGTNTRUGKNMTAG-NSHDSACASA-N -1 0 301.306 1.319 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000834174126 605740111 /nfs/dbraw/zinc/74/01/11/605740111.db2.gz UPQWULFLODTORH-XCBNKYQSSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C(C[C@@H]1CCOC1)c1ccccc1 ZINC000834227541 605747588 /nfs/dbraw/zinc/74/75/88/605747588.db2.gz HDFZVRPIWXATMU-LBPRGKRZSA-N -1 0 319.361 1.591 20 50 DDGDRM C[C@@H]1CC(NC(=O)NNc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000833595784 605749005 /nfs/dbraw/zinc/74/90/05/605749005.db2.gz ADHGSQSFXQZFGS-NXEZZACHSA-N -1 0 307.350 1.967 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(N2CCCCC2)cc1 ZINC000834226987 605749259 /nfs/dbraw/zinc/74/92/59/605749259.db2.gz GXAAQUOSRHBPAI-UHFFFAOYSA-N -1 0 318.377 1.785 20 50 DDGDRM CC(C)(C)C(=O)NCCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833421961 605773249 /nfs/dbraw/zinc/77/32/49/605773249.db2.gz OMZGOACILWDZKY-UHFFFAOYSA-N -1 0 307.350 1.380 20 50 DDGDRM CC(C)C(=O)N1CCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833462712 605774144 /nfs/dbraw/zinc/77/41/44/605774144.db2.gz PZUHGSDNYQLNGT-ZDUSSCGKSA-N -1 0 319.361 1.475 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@]2(C)CCCCN2C(=O)[O-])c(C)o1 ZINC000833898141 605861311 /nfs/dbraw/zinc/86/13/11/605861311.db2.gz JGVWGZHKDOUCIG-OAHLLOKOSA-N -1 0 323.349 1.580 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCCOc2cc(F)ccc21 ZINC000834229251 605888706 /nfs/dbraw/zinc/88/87/06/605888706.db2.gz BILBPCKMABIFBD-UHFFFAOYSA-N -1 0 323.324 1.866 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000834230245 605977932 /nfs/dbraw/zinc/97/79/32/605977932.db2.gz AVYOZKDRFKCSTJ-RYUDHWBXSA-N -1 0 323.324 1.124 20 50 DDGDRM Cn1cccc1C(=O)NNC(=O)[C@H]1CCCC[C@]1(C)NC(=O)[O-] ZINC000833953038 606002307 /nfs/dbraw/zinc/00/23/07/606002307.db2.gz SLXGYIBDHQMTOH-BMIGLBTASA-N -1 0 322.365 1.003 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)c2ccc(Cl)nc2)C1 ZINC000834044581 606052129 /nfs/dbraw/zinc/05/21/29/606052129.db2.gz GJEARPOWEFLRSN-SECBINFHSA-N -1 0 310.741 1.841 20 50 DDGDRM C=CCCCC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000823894048 608579558 /nfs/dbraw/zinc/57/95/58/608579558.db2.gz GBXZXWTVVMFNOE-UHFFFAOYSA-N -1 0 307.745 1.715 20 50 DDGDRM CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])[nH]1 ZINC000827026954 601330472 /nfs/dbraw/zinc/33/04/72/601330472.db2.gz AVXKDIVWVNIHPT-DHZHZOJOSA-N -1 0 305.334 1.551 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000827576089 603431659 /nfs/dbraw/zinc/43/16/59/603431659.db2.gz BBVAWWWZXBIBLW-OLZOCXBDSA-N -1 0 319.361 1.446 20 50 DDGDRM O=C([O-])Nc1ccc(C=NNC(=O)c2ccc(Cl)nc2)cn1 ZINC000832841113 603488792 /nfs/dbraw/zinc/48/87/92/603488792.db2.gz RDAFMDKJNKDXGI-UHFFFAOYSA-N -1 0 319.708 1.984 20 50 DDGDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NNC(=O)C(C)(C)C ZINC000824195717 603660979 /nfs/dbraw/zinc/66/09/79/603660979.db2.gz BVTRJRDNIBMBIH-SECBINFHSA-N -1 0 302.375 1.045 20 50 DDGDRM CC(C)CC(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000824170096 603860720 /nfs/dbraw/zinc/86/07/20/603860720.db2.gz FDTWEFYSEKXPGQ-GHMZBOCLSA-N -1 0 314.386 1.189 20 50 DDGDRM COCCN(CC(=O)NNc1cccc(F)c1F)C(=O)[O-] ZINC000828976223 603931919 /nfs/dbraw/zinc/93/19/19/603931919.db2.gz KKGQRJFYIQYLID-UHFFFAOYSA-N -1 0 303.265 1.034 20 50 DDGDRM CC(=NNC(=O)Cc1ccccn1)[C@H]1CCCCN1C(=O)[O-] ZINC000823527690 604087188 /nfs/dbraw/zinc/08/71/88/604087188.db2.gz MLGHHGPVOSBPOK-CYBMUJFWSA-N -1 0 304.350 1.649 20 50 DDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)c1ccccc1C ZINC000832977571 604267835 /nfs/dbraw/zinc/26/78/35/604267835.db2.gz ULUFQZPKGDGQST-UHFFFAOYSA-N -1 0 315.329 1.713 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000827304215 604281040 /nfs/dbraw/zinc/28/10/40/604281040.db2.gz RFAOPHROBVSQFA-ZETCQYMHSA-N -1 0 322.346 1.010 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccoc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824672188 604321718 /nfs/dbraw/zinc/32/17/18/604321718.db2.gz SODCEMXHGJMWDN-QWRGUYRKSA-N -1 0 323.349 1.457 20 50 DDGDRM C[C@H](CC(=O)NNc1cnccn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679111 604580425 /nfs/dbraw/zinc/58/04/25/604580425.db2.gz IHTFHAZEFGYAEX-MNOVXSKESA-N -1 0 307.354 1.336 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000833016331 604599467 /nfs/dbraw/zinc/59/94/67/604599467.db2.gz UMWZUKFAARVRDR-LLVKDONJSA-N -1 0 313.785 1.818 20 50 DDGDRM C[C@H](Oc1cccnc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833543794 604802929 /nfs/dbraw/zinc/80/29/29/604802929.db2.gz WOCSOWATNCSRFZ-VIFPVBQESA-N -1 0 302.290 1.085 20 50 DDGDRM COc1cc(F)cc(NNC(=O)c2ccnc(C(=O)[O-])c2)c1 ZINC000833729633 604941528 /nfs/dbraw/zinc/94/15/28/604941528.db2.gz RQSGPGFQYXVOKY-UHFFFAOYSA-N -1 0 305.265 1.684 20 50 DDGDRM O=C([O-])N1CCC[C@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000831742326 605126410 /nfs/dbraw/zinc/12/64/10/605126410.db2.gz APKYHVQHKUUKEW-QMMMGPOBSA-N -1 0 321.362 1.524 20 50 DDGDRM Cc1cccc(NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830521415 605255409 /nfs/dbraw/zinc/25/54/09/605255409.db2.gz HCTGSEWEJPVFPL-ZDUSSCGKSA-N -1 0 307.350 1.597 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)CC(F)(F)F)c1ccccc1 ZINC000831450738 605271169 /nfs/dbraw/zinc/27/11/69/605271169.db2.gz GOPXWEKKDNQHEO-UHFFFAOYSA-N -1 0 319.239 1.271 20 50 DDGDRM CC(C)(C)C(=O)NCCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833421943 605281740 /nfs/dbraw/zinc/28/17/40/605281740.db2.gz NNJPRXDVPFQDGS-UHFFFAOYSA-N -1 0 307.350 1.380 20 50 DDGDRM O=C([O-])N1[C@H](C(=O)NNc2ccccn2)C[C@H]2CCCC[C@@H]21 ZINC000834047519 605323609 /nfs/dbraw/zinc/32/36/09/605323609.db2.gz GSVJKGOVHNJVOS-WOPDTQHZSA-N -1 0 304.350 1.836 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000834200916 605513828 /nfs/dbraw/zinc/51/38/28/605513828.db2.gz CAQJXGUWHPTMAV-CYBMUJFWSA-N -1 0 320.349 1.126 20 50 DDGDRM O=C([O-])N[C@H](CNC(=O)NN=c1cc(Cl)cc[nH]1)C1CC1 ZINC000834146248 605539691 /nfs/dbraw/zinc/53/96/91/605539691.db2.gz YNIFCVJHWUNWAO-SECBINFHSA-N -1 0 313.745 1.407 20 50 DDGDRM CCCOc1c(C=NNC(=O)NCC(=O)[O-])cccc1OCC ZINC000833652132 605590800 /nfs/dbraw/zinc/59/08/00/605590800.db2.gz MCDPMCJVACJGKG-UHFFFAOYSA-N -1 0 323.349 1.592 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000833801499 605622014 /nfs/dbraw/zinc/62/20/14/605622014.db2.gz KIEDJKBHNFYMIG-ZANVPECISA-N -1 0 321.333 1.365 20 50 DDGDRM CC(C)(C)c1ccc(NNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000833449020 605773827 /nfs/dbraw/zinc/77/38/27/605773827.db2.gz MLIGEXPURLGDQO-UHFFFAOYSA-N -1 0 317.349 1.417 20 50 DDGDRM O=C([O-])N[C@@H](CNC(=O)NNc1cccc(F)c1F)C1CC1 ZINC000834145188 605945121 /nfs/dbraw/zinc/94/51/21/605945121.db2.gz SMCPSWMTXDCQJW-JTQLQIEISA-N -1 0 314.292 1.637 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1 ZINC000834000903 605960760 /nfs/dbraw/zinc/96/07/60/605960760.db2.gz AWKYEYXGIAUBLD-UHFFFAOYSA-N -1 0 323.374 1.140 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cc(Cl)ccc1F ZINC000834230685 605978377 /nfs/dbraw/zinc/97/83/77/605978377.db2.gz BIUIUKSZXKEQKE-UHFFFAOYSA-N -1 0 317.704 1.288 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC1=NNC(=O)NCC(F)(F)F ZINC000834181661 606078795 /nfs/dbraw/zinc/07/87/95/606078795.db2.gz HGOCQDNYKVQBDY-SSDOTTSWSA-N -1 0 310.276 1.804 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC1=NNC(=O)NCC(F)(F)F ZINC000834181662 606078940 /nfs/dbraw/zinc/07/89/40/606078940.db2.gz HGOCQDNYKVQBDY-ZETCQYMHSA-N -1 0 310.276 1.804 20 50 DDGDRM Cc1cc(C(=O)NNc2cnccn2)cc(C)c1OCC(=O)[O-] ZINC000832864556 601757718 /nfs/dbraw/zinc/75/77/18/601757718.db2.gz NJMVXKKEPYFPCH-UHFFFAOYSA-N -1 0 316.317 1.314 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1Cl ZINC000827303962 602073415 /nfs/dbraw/zinc/07/34/15/602073415.db2.gz MPIYLLISLZWLOM-ZCFIWIBFSA-N -1 0 319.144 1.865 20 50 DDGDRM COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](C)CC(=O)[O-] ZINC000832004977 602082170 /nfs/dbraw/zinc/08/21/70/602082170.db2.gz XZMJQLVXZMCJEX-SSDOTTSWSA-N -1 0 314.725 1.220 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)C[C@H]2CCCN2C(=O)[O-])c(C)o1 ZINC000829957127 603221881 /nfs/dbraw/zinc/22/18/81/603221881.db2.gz XEMDWGOZXFRFBD-SNVBAGLBSA-N -1 0 309.322 1.190 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c(C)o1 ZINC000829956877 603429909 /nfs/dbraw/zinc/42/99/09/603429909.db2.gz OXBHHJZNSRGBJJ-UWVGGRQHSA-N -1 0 309.322 1.094 20 50 DDGDRM Cc1cccc(NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])c1 ZINC000830522331 603454582 /nfs/dbraw/zinc/45/45/82/603454582.db2.gz PXXQYQCJMLLXLR-CYBMUJFWSA-N -1 0 307.350 1.597 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNC(=O)CCc1ccccc1 ZINC000823965417 603649776 /nfs/dbraw/zinc/64/97/76/603649776.db2.gz YRPBBJDFWJBUOA-UHFFFAOYSA-N -1 0 307.350 1.060 20 50 DDGDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccoc1 ZINC000832514925 603871392 /nfs/dbraw/zinc/87/13/92/603871392.db2.gz PNOMVMSCLILEPK-ONGXEEELSA-N -1 0 324.337 1.050 20 50 DDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNc1cccnn1)C2 ZINC000831308223 603902902 /nfs/dbraw/zinc/90/29/02/603902902.db2.gz OXDQIDMVXYFQGZ-FGWVZKOKSA-N -1 0 305.338 1.231 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)C[C@H]2CCCN2C(=O)[O-])n1 ZINC000830765978 603920431 /nfs/dbraw/zinc/92/04/31/603920431.db2.gz YFRPPQFCCFHMEW-MRVPVSSYSA-N -1 0 313.745 1.414 20 50 DDGDRM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)[O-] ZINC000823816537 604186471 /nfs/dbraw/zinc/18/64/71/604186471.db2.gz CJZPJOUYFIGIJJ-BDAKNGLRSA-N -1 0 316.358 1.162 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNc1cnnc2ccccc21 ZINC000824867537 604220469 /nfs/dbraw/zinc/22/04/69/604220469.db2.gz DFUHDTKMCROXGL-SECBINFHSA-N -1 0 303.322 1.319 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830566775 604497151 /nfs/dbraw/zinc/49/71/51/604497151.db2.gz GJDREPVZXDPYIM-OLZOCXBDSA-N -1 0 319.361 1.121 20 50 DDGDRM CC(C)CC(=O)NNC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833474389 604605823 /nfs/dbraw/zinc/60/58/23/604605823.db2.gz WPEBHSSCXIZNSA-UHFFFAOYSA-N -1 0 307.350 1.304 20 50 DDGDRM C[C@@H](Sc1ccccn1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833545227 604802985 /nfs/dbraw/zinc/80/29/85/604802985.db2.gz OUAHMYFZQJDAMZ-SECBINFHSA-N -1 0 318.358 1.799 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=S)Nc2ccccn2)s1 ZINC000833311443 604834762 /nfs/dbraw/zinc/83/47/62/604834762.db2.gz POVPDIKGRTWBQM-UHFFFAOYSA-N -1 0 322.371 1.473 20 50 DDGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000824135248 605124254 /nfs/dbraw/zinc/12/42/54/605124254.db2.gz DIGUDYIIHILRBK-MRVPVSSYSA-N -1 0 309.351 1.427 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NN=c1nc[nH]c2ccsc21 ZINC000832343171 605125974 /nfs/dbraw/zinc/12/59/74/605125974.db2.gz YOSRCWVMCAOFQK-JGVFFNPUSA-N -1 0 321.362 1.571 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830555713 605160498 /nfs/dbraw/zinc/16/04/98/605160498.db2.gz XYBACLNYDCRNPI-LLVKDONJSA-N -1 0 305.334 1.146 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000823822876 605244724 /nfs/dbraw/zinc/24/47/24/605244724.db2.gz USRSMBQEMNEQEM-UHFFFAOYSA-N -1 0 309.322 1.727 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CCOc2ccc(Cl)cc21 ZINC000834227696 605308071 /nfs/dbraw/zinc/30/80/71/605308071.db2.gz JJKBVYLNOZFAQY-UHFFFAOYSA-N -1 0 311.725 1.601 20 50 DDGDRM Cc1ccc(F)c(NNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000830333396 605401300 /nfs/dbraw/zinc/40/13/00/605401300.db2.gz VPQDATHSKKEQLZ-SNVBAGLBSA-N -1 0 311.313 1.346 20 50 DDGDRM CC(C)(CCC(=O)NNc1ccc([N+](=O)[O-])cc1)NC(=O)[O-] ZINC000823889695 605407476 /nfs/dbraw/zinc/40/74/76/605407476.db2.gz CGKKZMCHGFRZNM-UHFFFAOYSA-N -1 0 310.310 1.864 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834175168 605714854 /nfs/dbraw/zinc/71/48/54/605714854.db2.gz ZIQXLUHZKSPUJY-QWRGUYRKSA-N -1 0 308.294 1.474 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccccc2Br)CC1 ZINC000834155040 605717588 /nfs/dbraw/zinc/71/75/88/605717588.db2.gz YNEGWGABXTYIHG-UHFFFAOYSA-N -1 0 314.139 1.692 20 50 DDGDRM N#CC1=CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000833963087 605720205 /nfs/dbraw/zinc/72/02/05/605720205.db2.gz GWLOUNKVWZSXLU-HOTGVXAUSA-N -1 0 315.373 1.382 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1cccc(F)c1F ZINC000834048680 605739650 /nfs/dbraw/zinc/73/96/50/605739650.db2.gz QQPBDHGPZONAHL-QMMMGPOBSA-N -1 0 303.290 1.461 20 50 DDGDRM CC1(C)C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833556436 605746523 /nfs/dbraw/zinc/74/65/23/605746523.db2.gz XCMSVWOMGUJZTH-GFCCVEGCSA-N -1 0 307.350 1.969 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000834226861 605749141 /nfs/dbraw/zinc/74/91/41/605749141.db2.gz DXGLDEMLVCDHPS-UHFFFAOYSA-N -1 0 314.685 1.356 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cc(F)c(F)cc1F ZINC000834228454 605799619 /nfs/dbraw/zinc/79/96/19/605799619.db2.gz HFRLYRPJKOFVOA-UHFFFAOYSA-N -1 0 303.240 1.602 20 50 DDGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccnc(F)c2)c(O)c1 ZINC000834255131 605874473 /nfs/dbraw/zinc/87/44/73/605874473.db2.gz DOCSFEKIQVHJJT-UHFFFAOYSA-N -1 0 306.253 1.773 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1cnnc2ccccc21)C1CC1 ZINC000834000921 605989627 /nfs/dbraw/zinc/98/96/27/605989627.db2.gz BRTANFSEHOBYRN-UHFFFAOYSA-N -1 0 301.306 1.215 20 50 DDGDRM C[C@H](CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CC1 ZINC000824384482 608576813 /nfs/dbraw/zinc/57/68/13/608576813.db2.gz COROXMUWVXXFNY-SSDOTTSWSA-N -1 0 321.772 1.794 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNc2cnnc3ccccc32)C1 ZINC000833184336 601210917 /nfs/dbraw/zinc/21/09/17/601210917.db2.gz QBQMXDBYJKOEAH-MNOVXSKESA-N -1 0 314.345 1.964 20 50 DDGDRM C/C(=C\COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)[O-] ZINC000825745612 601413129 /nfs/dbraw/zinc/41/31/29/601413129.db2.gz ASKALMGLLFGHMG-HHLXJUMTSA-N -1 0 313.313 1.686 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc(OC(F)F)c1 ZINC000827303933 602147635 /nfs/dbraw/zinc/14/76/35/602147635.db2.gz LTRGODMRLXILPM-ZETCQYMHSA-N -1 0 316.260 1.160 20 50 DDGDRM C[C@@H](CC(=O)NN=c1sc2ccccc2n1C)NC(=O)[O-] ZINC000824671410 603285809 /nfs/dbraw/zinc/28/58/09/603285809.db2.gz GZYVSUAIHNNDMJ-QMMMGPOBSA-N -1 0 308.363 1.218 20 50 DDGDRM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NNC(=O)[O-] ZINC000826124167 603629817 /nfs/dbraw/zinc/62/98/17/603629817.db2.gz APACRJKNPYARQK-JGVFFNPUSA-N -1 0 317.342 1.046 20 50 DDGDRM COc1ccccc1CC(=O)NN=CC1CCN(C(=O)[O-])CC1 ZINC000829619187 603858078 /nfs/dbraw/zinc/85/80/78/603858078.db2.gz MQMQPKNOGADLFO-UHFFFAOYSA-N -1 0 319.361 1.730 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@H](C)CN(C)C(=O)[O-])n1 ZINC000830764074 603919658 /nfs/dbraw/zinc/91/96/58/603919658.db2.gz HPDNLSYECHKTID-LURJTMIESA-N -1 0 301.734 1.127 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831366167 604068750 /nfs/dbraw/zinc/06/87/50/604068750.db2.gz DDDLGCBXVKFWFG-UHFFFAOYSA-N -1 0 303.240 1.547 20 50 DDGDRM CC(=NNC(=O)Cc1ccncc1)[C@@H]1CCCCN1C(=O)[O-] ZINC000823527391 604087056 /nfs/dbraw/zinc/08/70/56/604087056.db2.gz JNUSJASCMYBLEX-ZDUSSCGKSA-N -1 0 304.350 1.649 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000824868755 604225479 /nfs/dbraw/zinc/22/54/79/604225479.db2.gz QSUQUWDZYHXYJY-LURJTMIESA-N -1 0 305.256 1.793 20 50 DDGDRM CCOC(=O)NNC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000827329238 604640841 /nfs/dbraw/zinc/64/08/41/604640841.db2.gz VIFYFMXGNWQHQL-SECBINFHSA-N -1 0 301.343 1.180 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000833421773 604721677 /nfs/dbraw/zinc/72/16/77/604721677.db2.gz CLVVKRFOCPUMQT-UHFFFAOYSA-N -1 0 309.322 1.349 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1c[nH]c2ccccc12)c1cccnc1 ZINC000833149158 604988379 /nfs/dbraw/zinc/98/83/79/604988379.db2.gz GSTOUNWRSBYCGL-CQSZACIVSA-N -1 0 310.313 1.623 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)Cc1ccccc1F ZINC000833454669 605107839 /nfs/dbraw/zinc/10/78/39/605107839.db2.gz RRMPZKITTRMLOW-UHFFFAOYSA-N -1 0 310.325 1.407 20 50 DDGDRM O=C([O-])N1CC[C@@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000831742899 605125980 /nfs/dbraw/zinc/12/59/80/605125980.db2.gz VJGAGANKPKPZNR-SSDOTTSWSA-N -1 0 307.335 1.134 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@H](CC(C)C)NC(=O)[O-])c1 ZINC000829142322 605160057 /nfs/dbraw/zinc/16/00/57/605160057.db2.gz POYTXTVDTQRTKN-LBPRGKRZSA-N -1 0 313.329 1.960 20 50 DDGDRM CC(Cc1ccncc1)=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000825030630 605238881 /nfs/dbraw/zinc/23/88/81/605238881.db2.gz MWQVUGQPJGSIMJ-UHFFFAOYSA-N -1 0 319.365 1.442 20 50 DDGDRM CC(=NNC(=O)c1ccncc1)c1ccccc1OCC(=O)[O-] ZINC000833384128 605323286 /nfs/dbraw/zinc/32/32/86/605323286.db2.gz CPHDQRKMAYNQPJ-UHFFFAOYSA-N -1 0 313.313 1.699 20 50 DDGDRM Cc1cc(C)c(NNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c(C)c1 ZINC000829990805 605371387 /nfs/dbraw/zinc/37/13/87/605371387.db2.gz IHYLMFFWTAEUIN-LBPRGKRZSA-N -1 0 307.350 1.434 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccccc1OC(F)(F)F ZINC000834201579 605389526 /nfs/dbraw/zinc/38/95/26/605389526.db2.gz LKNPMZZFTXLYCY-UHFFFAOYSA-N -1 0 305.212 1.303 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834170054 605508566 /nfs/dbraw/zinc/50/85/66/605508566.db2.gz PVYRCXDYWQTTFZ-VHSXEESVSA-N -1 0 317.349 1.832 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNc1ccc(Cl)nn1 ZINC000833998923 605568301 /nfs/dbraw/zinc/56/83/01/605568301.db2.gz UNNCEGHXKAUBTL-QMMMGPOBSA-N -1 0 313.745 1.496 20 50 DDGDRM CC1(C)C(=NNC(=O)NCC(=O)[O-])C[C@H]1OCc1ccccc1 ZINC000833554691 605585203 /nfs/dbraw/zinc/58/52/03/605585203.db2.gz GJHBDYJSXPFYSJ-CYBMUJFWSA-N -1 0 319.361 1.742 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000824372704 605674618 /nfs/dbraw/zinc/67/46/18/605674618.db2.gz BITMKMCXFVEHOP-GFCCVEGCSA-N -1 0 320.349 1.003 20 50 DDGDRM CN(CC(=O)NNc1ccccc1C(=O)[O-])[C@H]1CCSC1 ZINC000833691359 605722801 /nfs/dbraw/zinc/72/28/01/605722801.db2.gz CFTACUOENRPWMW-JTQLQIEISA-N -1 0 309.391 1.265 20 50 DDGDRM CC1(C)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000833555067 605743813 /nfs/dbraw/zinc/74/38/13/605743813.db2.gz FJQDVTVCOWTVLB-XQQFMLRXSA-N -1 0 319.361 1.824 20 50 DDGDRM CC(C)C(=O)NCCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833463934 605745806 /nfs/dbraw/zinc/74/58/06/605745806.db2.gz TZSJRPQVKJFRGQ-UHFFFAOYSA-N -1 0 322.365 1.173 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccccc1OC(F)F ZINC000834227658 605747592 /nfs/dbraw/zinc/74/75/92/605747592.db2.gz ZAZRJRCNAFELQE-UHFFFAOYSA-N -1 0 301.249 1.396 20 50 DDGDRM COc1ccc2cc(C=NNC(=O)CCNC(=O)[O-])ccc2c1 ZINC000833892188 605748406 /nfs/dbraw/zinc/74/84/06/605748406.db2.gz MEVPJFIVFOTSEB-UHFFFAOYSA-N -1 0 315.329 1.956 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc(F)cc2cccnc12 ZINC000834227300 605749156 /nfs/dbraw/zinc/74/91/56/605749156.db2.gz BUDSOQHAPDNRRZ-UHFFFAOYSA-N -1 0 304.281 1.482 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CCSc2ccc(F)cc21 ZINC000834228016 605750747 /nfs/dbraw/zinc/75/07/47/605750747.db2.gz WOYVUWWXBVAHFJ-UHFFFAOYSA-N -1 0 311.338 1.800 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NCC1CN(C(=O)[O-])C1 ZINC000833921887 605754392 /nfs/dbraw/zinc/75/43/92/605754392.db2.gz LPBFEFJJTZDPPN-UHFFFAOYSA-N -1 0 314.773 1.078 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1nc(-c2ccccc2)no1 ZINC000834228222 605796272 /nfs/dbraw/zinc/79/62/72/605796272.db2.gz BCESOHADAYWDAN-UHFFFAOYSA-N -1 0 317.305 1.235 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1O ZINC000834170581 605859285 /nfs/dbraw/zinc/85/92/85/605859285.db2.gz UXGHCYZIDJCGSK-SECBINFHSA-N -1 0 311.725 1.952 20 50 DDGDRM N#Cc1ccc(C(=O)NN=Cc2cccnc2NC(=O)[O-])cc1 ZINC000833972456 605955491 /nfs/dbraw/zinc/95/54/91/605955491.db2.gz DLGANERRIALSMS-UHFFFAOYSA-N -1 0 309.285 1.807 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1ccccc1[N+](=O)[O-] ZINC000834134055 605999285 /nfs/dbraw/zinc/99/92/85/605999285.db2.gz FNGKYABVJFAQHY-SSDOTTSWSA-N -1 0 318.236 1.329 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834046165 606045818 /nfs/dbraw/zinc/04/58/18/606045818.db2.gz YHFREYXGSMHPBA-SNVBAGLBSA-N -1 0 320.305 1.700 20 50 DDGDRM CCCC=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825261387 608624643 /nfs/dbraw/zinc/62/46/43/608624643.db2.gz YMINSAIAXJLRRT-PLNGDYQASA-N -1 0 307.745 1.715 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccccc2F)C1 ZINC000833118624 600943195 /nfs/dbraw/zinc/94/31/95/600943195.db2.gz LYNWZIKOTZXUHU-NEPJUHHUSA-N -1 0 322.336 1.407 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)CNc2ccccc2)C1 ZINC000833111120 601209047 /nfs/dbraw/zinc/20/90/47/601209047.db2.gz CYQCMPHFURXNLU-NWDGAFQWSA-N -1 0 319.361 1.137 20 50 DDGDRM N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[O-])CC1 ZINC000833062010 601413784 /nfs/dbraw/zinc/41/37/84/601413784.db2.gz IPGNJIGONLFQHY-YIXHJXPBSA-N -1 0 302.290 1.755 20 50 DDGDRM Cc1ccc(NC(=O)NNC(=O)[C@@H](C)CC(=O)[O-])c(Cl)c1 ZINC000832948620 602266486 /nfs/dbraw/zinc/26/64/86/602266486.db2.gz UGVWJJGKPAWMDH-QMMMGPOBSA-N -1 0 313.741 1.912 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)CN(CC2CC2)C(=O)[O-])cc1 ZINC000827577826 603225207 /nfs/dbraw/zinc/22/52/07/603225207.db2.gz RDCLDXQJDBUTGQ-UHFFFAOYSA-N -1 0 319.361 1.400 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)c2cccn2C)cc1NC(=O)[O-] ZINC000830225219 603248304 /nfs/dbraw/zinc/24/83/04/603248304.db2.gz ISXNNGYMVBFYML-UHFFFAOYSA-N -1 0 316.317 1.498 20 50 DDGDRM O=C([O-])NC[C@@H](C(=O)NNC(=O)C1CCCC1)c1ccccc1 ZINC000832406990 603318477 /nfs/dbraw/zinc/31/84/77/603318477.db2.gz FDGHSKXBDPZRDS-CYBMUJFWSA-N -1 0 319.361 1.375 20 50 DDGDRM CC(C)(CNC(=O)NNc1cccc(F)c1F)NC(=O)[O-] ZINC000823941504 603448426 /nfs/dbraw/zinc/44/84/26/603448426.db2.gz MZCJCTVZGKFQPL-UHFFFAOYSA-N -1 0 302.281 1.637 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000831730609 603856415 /nfs/dbraw/zinc/85/64/15/603856415.db2.gz JSDPZPPSFPYHGA-UHFFFAOYSA-N -1 0 320.305 1.700 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000826925476 603965170 /nfs/dbraw/zinc/96/51/70/603965170.db2.gz GLZQCJQVCASKGW-GHMZBOCLSA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNC(=O)c2ccccc2F)CCC1 ZINC000832206105 604061751 /nfs/dbraw/zinc/06/17/51/604061751.db2.gz BQSTWVUHGPLQAI-UHFFFAOYSA-N -1 0 309.297 1.167 20 50 DDGDRM O=C([O-])NNC(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000832748749 604145636 /nfs/dbraw/zinc/14/56/36/604145636.db2.gz SPVQWNVHKVDOGY-UHFFFAOYSA-N -1 0 312.292 1.133 20 50 DDGDRM N#Cc1ccc(NNC(=O)CNC(=O)[O-])cc1C(F)(F)F ZINC000831137010 604226351 /nfs/dbraw/zinc/22/63/51/604226351.db2.gz OQQZZFQEKMMVJK-UHFFFAOYSA-N -1 0 302.212 1.288 20 50 DDGDRM Cc1ccc(CNC(=O)NNC(=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC000830318665 604281416 /nfs/dbraw/zinc/28/14/16/604281416.db2.gz YJKOKUIXFKMXAX-LLVKDONJSA-N -1 0 309.322 1.145 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000829141371 604315251 /nfs/dbraw/zinc/31/52/51/604315251.db2.gz CVOQMPFIPDWTRS-SCZZXKLOSA-N -1 0 311.313 1.714 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)c1 ZINC000829141849 604315873 /nfs/dbraw/zinc/31/58/73/604315873.db2.gz JRTCZFMYIBPSRC-ZDUSSCGKSA-N -1 0 315.276 1.369 20 50 DDGDRM C[C@H](NC(=O)[O-])[C@@H]1CN(/C(=C/C#N)c2ccccc2)CCO1 ZINC000825292707 604605226 /nfs/dbraw/zinc/60/52/26/604605226.db2.gz BWWIWFFGHPNIMK-SNEDKZBTSA-N -1 0 301.346 1.908 20 50 DDGDRM O=C([O-])NCC(=O)NNc1ccc(F)cc1Br ZINC000833777426 604936412 /nfs/dbraw/zinc/93/64/12/604936412.db2.gz QMMZMVOQNQQKTD-UHFFFAOYSA-N -1 0 306.091 1.299 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC000833149274 604988381 /nfs/dbraw/zinc/98/83/81/604988381.db2.gz LBCIOTGCDFCGNR-GFCCVEGCSA-N -1 0 305.721 1.795 20 50 DDGDRM C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833535673 605260656 /nfs/dbraw/zinc/26/06/56/605260656.db2.gz LMHASEBAOAYUIO-QWRGUYRKSA-N -1 0 308.334 1.412 20 50 DDGDRM C[C@H](CC(=O)NN=c1cncc[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824680688 605326076 /nfs/dbraw/zinc/32/60/76/605326076.db2.gz YOIIUVPUQZRHDQ-SNVBAGLBSA-N -1 0 307.354 1.336 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccc(Cl)nn1)c1ccccc1 ZINC000831450752 605350740 /nfs/dbraw/zinc/35/07/40/605350740.db2.gz GZKGJJIVNATXNJ-UHFFFAOYSA-N -1 0 321.724 1.758 20 50 DDGDRM CCC[C@@](C)(NC(=O)[O-])C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000826721565 605407341 /nfs/dbraw/zinc/40/73/41/605407341.db2.gz SWOVOOYWMXLDLB-CYBMUJFWSA-N -1 0 310.310 1.864 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNC(=O)c1ccccc1O ZINC000833997469 605541543 /nfs/dbraw/zinc/54/15/43/605541543.db2.gz CUDVGGGUMVIBFQ-JTQLQIEISA-N -1 0 321.333 1.076 20 50 DDGDRM CC(C)(C)OC(=O)N[C@@H](CC(=O)NNC(=O)[O-])c1ccccc1 ZINC000823810573 605564257 /nfs/dbraw/zinc/56/42/57/605564257.db2.gz VCOOXVPWRWIGRG-NSHDSACASA-N -1 0 323.349 1.941 20 50 DDGDRM CN1c2ccccc2C(C)(C)/C1=C/C=NNC(=O)NCC(=O)[O-] ZINC000833698326 605589045 /nfs/dbraw/zinc/58/90/45/605589045.db2.gz SKKNNWWWROHYKS-FSXHMEFGSA-N -1 0 316.361 1.668 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NNc1cccnn1 ZINC000832356091 605628743 /nfs/dbraw/zinc/62/87/43/605628743.db2.gz AZALTUXIVLXGLT-GHMZBOCLSA-N -1 0 307.354 1.526 20 50 DDGDRM O=C([O-])NCCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000834228187 605738121 /nfs/dbraw/zinc/73/81/21/605738121.db2.gz DKFFLOFULVAVQS-UHFFFAOYSA-N -1 0 302.674 1.349 20 50 DDGDRM O=C([O-])NCCCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000834232649 605738211 /nfs/dbraw/zinc/73/82/11/605738211.db2.gz VLBYNUXMUZCIAB-UHFFFAOYSA-N -1 0 316.701 1.739 20 50 DDGDRM O=C([O-])N[C@@H]1CC(=NNC(=O)c2ccncc2)c2ccccc21 ZINC000834157399 605739701 /nfs/dbraw/zinc/73/97/01/605739701.db2.gz JEWLDPOVNPTUBM-CYBMUJFWSA-N -1 0 310.313 1.928 20 50 DDGDRM CCn1c2ccccc2nc1C(C)=NNC(=O)CCNC(=O)[O-] ZINC000833867969 605748501 /nfs/dbraw/zinc/74/85/01/605748501.db2.gz VNGVRDQBPUSKGC-UHFFFAOYSA-N -1 0 317.349 1.554 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cccc2cccnc12 ZINC000834228414 605797274 /nfs/dbraw/zinc/79/72/74/605797274.db2.gz GPVQNPHFHNRMRQ-UHFFFAOYSA-N -1 0 300.318 1.733 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000834170089 605859105 /nfs/dbraw/zinc/85/91/05/605859105.db2.gz QUTZQUBNPVDSHA-GXFFZTMASA-N -1 0 303.318 1.282 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000834230495 605974117 /nfs/dbraw/zinc/97/41/17/605974117.db2.gz FNTAJXPURCVUSX-OLZOCXBDSA-N -1 0 319.361 1.060 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)NCC2(C(=O)[O-])CCCC2)n1 ZINC000831972670 601422599 /nfs/dbraw/zinc/42/25/99/601422599.db2.gz POGOAUPKKVLSTC-UHFFFAOYSA-N -1 0 323.353 1.065 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)Cc1ccc2ccccc2c1 ZINC000827304342 602265909 /nfs/dbraw/zinc/26/59/09/602265909.db2.gz RYEKEFRCDYUNDR-NSHDSACASA-N -1 0 314.341 1.641 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1CC(=O)NNC(=O)Cc1ccccc1F ZINC000831562874 602895737 /nfs/dbraw/zinc/89/57/37/602895737.db2.gz VYDZVHWXAURGNV-LLVKDONJSA-N -1 0 323.324 1.048 20 50 DDGDRM C[C@@H](C(=O)NNC(=O)C(C)(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701154 603338154 /nfs/dbraw/zinc/33/81/54/603338154.db2.gz AHXHJAUGUILTQA-PWSUYJOCSA-N -1 0 321.377 1.825 20 50 DDGDRM O=C([O-])N1CC(OCC(=O)NN=c2[nH]ccc3sccc32)C1 ZINC000831537671 603472846 /nfs/dbraw/zinc/47/28/46/603472846.db2.gz HVHAMRGHWKOVEP-UHFFFAOYSA-N -1 0 322.346 1.118 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1 ZINC000832277958 603544613 /nfs/dbraw/zinc/54/46/13/603544613.db2.gz LLJDWKUEIBHFTO-QWHCGFSZSA-N -1 0 319.361 1.203 20 50 DDGDRM CN(NC(=S)NCc1ccc(Br)cc1)C(=O)[O-] ZINC000828435093 603581585 /nfs/dbraw/zinc/58/15/85/603581585.db2.gz XIPNVVQWCWMUQC-UHFFFAOYSA-N -1 0 318.196 1.938 20 50 DDGDRM O=C([O-])NNC(=O)NCc1nccn1CCc1ccccc1 ZINC000832748297 603672895 /nfs/dbraw/zinc/67/28/95/603672895.db2.gz GOBHZKKISCZNRE-UHFFFAOYSA-N -1 0 303.322 1.108 20 50 DDGDRM CC(C)(CC(=O)NNc1cc(F)c(F)c(F)c1)NC(=O)[O-] ZINC000823881862 604005879 /nfs/dbraw/zinc/00/58/79/604005879.db2.gz MHCGLBHERROZBA-UHFFFAOYSA-N -1 0 305.256 1.983 20 50 DDGDRM C[C@@H]1CC(=NNC(=O)NC2CCN(C(=O)[O-])CC2)CN1C1CC1 ZINC000825779480 604009275 /nfs/dbraw/zinc/00/92/75/604009275.db2.gz ZZWAPZMZYRUFCI-SNVBAGLBSA-N -1 0 323.397 1.041 20 50 DDGDRM Cc1ccc(NC(=O)NNC(=O)CCNC(=O)[O-])c(Cl)c1 ZINC000830390537 604033256 /nfs/dbraw/zinc/03/32/56/604033256.db2.gz RSRKADBYBOCMLW-UHFFFAOYSA-N -1 0 314.729 1.459 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832977132 604478986 /nfs/dbraw/zinc/47/89/86/604478986.db2.gz NBPBUOKYGNESBI-NSHDSACASA-N -1 0 305.334 1.289 20 50 DDGDRM O=C([O-])N1CCO[C@H](CC(=O)NNc2cccc(Cl)c2)C1 ZINC000831387929 604680817 /nfs/dbraw/zinc/68/08/17/604680817.db2.gz QXZDBRVOQMFUQX-LLVKDONJSA-N -1 0 313.741 1.552 20 50 DDGDRM C[C@H]1CCCC[C@@H]1OCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833611111 604802923 /nfs/dbraw/zinc/80/29/23/604802923.db2.gz HVBDIIAVTFNGDM-JQWIXIFHSA-N -1 0 307.350 1.818 20 50 DDGDRM Cc1ccc(C=NNC(=O)NC2CCN(C(=O)[O-])CC2)nc1 ZINC000830289498 604827148 /nfs/dbraw/zinc/82/71/48/604827148.db2.gz TVLRYMFXIRVIBT-UHFFFAOYSA-N -1 0 305.338 1.166 20 50 DDGDRM CC(C)(NC(=O)[O-])C(=O)NNc1cccc(Br)c1 ZINC000833460763 604934492 /nfs/dbraw/zinc/93/44/92/604934492.db2.gz GKCMHYMOPCKJPM-UHFFFAOYSA-N -1 0 316.155 1.938 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccccn1 ZINC000833406445 605040159 /nfs/dbraw/zinc/04/01/59/605040159.db2.gz GNIOSNAUOIMQQC-NSHDSACASA-N -1 0 300.318 1.222 20 50 DDGDRM CC[C@H](NC(=O)[O-])C(=O)NNc1ccc(Br)nc1 ZINC000827524836 605156941 /nfs/dbraw/zinc/15/69/41/605156941.db2.gz SUINVKYJVRBDJH-ZETCQYMHSA-N -1 0 317.143 1.333 20 50 DDGDRM O=C([O-])N1CCO[C@H](CC(=O)NNc2cccc(F)c2F)C1 ZINC000831389080 605366222 /nfs/dbraw/zinc/36/62/22/605366222.db2.gz ZHTZSXKENWAPPF-MRVPVSSYSA-N -1 0 315.276 1.177 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823822985 605564383 /nfs/dbraw/zinc/56/43/83/605564383.db2.gz YPWKKSFZEMDZFT-LLVKDONJSA-N -1 0 323.349 1.941 20 50 DDGDRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NN=c1[nH]cccc1[N+](=O)[O-] ZINC000833998665 605567965 /nfs/dbraw/zinc/56/79/65/605567965.db2.gz SRUFOVJUDWQFPP-VIFPVBQESA-N -1 0 323.309 1.356 20 50 DDGDRM O=C([O-])Nc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1 ZINC000834262985 605585316 /nfs/dbraw/zinc/58/53/16/605585316.db2.gz PBYCDWMYZPMUIS-UHFFFAOYSA-N -1 0 315.289 1.253 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834175169 605714767 /nfs/dbraw/zinc/71/47/67/605714767.db2.gz ZIQXLUHZKSPUJY-WDEREUQCSA-N -1 0 308.294 1.474 20 50 DDGDRM CN(CC(=O)NNc1ccccc1C(=O)[O-])[C@@H]1CCSC1 ZINC000833691360 605722285 /nfs/dbraw/zinc/72/22/85/605722285.db2.gz CFTACUOENRPWMW-SNVBAGLBSA-N -1 0 309.391 1.265 20 50 DDGDRM O=C([O-])N[C@@H]1CC(=NNC(=O)c2ccccn2)c2ccccc21 ZINC000834157710 605739929 /nfs/dbraw/zinc/73/99/29/605739929.db2.gz LXPHHSCQTFQLFM-CYBMUJFWSA-N -1 0 310.313 1.928 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(F)c2cccnc12 ZINC000834227221 605746940 /nfs/dbraw/zinc/74/69/40/605746940.db2.gz OSOLIKPEMQCCDX-UHFFFAOYSA-N -1 0 304.281 1.482 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CC2(CCC2)Oc2ccccc21 ZINC000834227293 605747184 /nfs/dbraw/zinc/74/71/84/605747184.db2.gz BNTDBUYRCXNWIG-UHFFFAOYSA-N -1 0 317.345 1.870 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1csc(-c2ccccn2)n1 ZINC000834227106 605749390 /nfs/dbraw/zinc/74/93/90/605749390.db2.gz JJLCVEWINPFGSK-UHFFFAOYSA-N -1 0 319.346 1.313 20 50 DDGDRM Cn1cccc1C(=O)NNC(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833953323 605756734 /nfs/dbraw/zinc/75/67/34/605756734.db2.gz WCDJBWJZIXKVDZ-UHFFFAOYSA-N -1 0 316.317 1.119 20 50 DDGDRM CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833844206 605810648 /nfs/dbraw/zinc/81/06/48/605810648.db2.gz IKFMXFYNNCIODA-QWRGUYRKSA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C1C2CC3CC(C2)CC1C3 ZINC000834228332 605977644 /nfs/dbraw/zinc/97/76/44/605977644.db2.gz FKPDTBWWTKGVQK-UHFFFAOYSA-N -1 0 323.393 1.254 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CCCNC(=O)[O-])ccc1Cl ZINC000833897465 605980237 /nfs/dbraw/zinc/98/02/37/605980237.db2.gz AXWLLRCGNIOIBF-UHFFFAOYSA-N -1 0 313.741 1.457 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C1(Cc2ccccc2)CC1 ZINC000834228479 605981105 /nfs/dbraw/zinc/98/11/05/605981105.db2.gz IJIXDTJYXWPKQK-UHFFFAOYSA-N -1 0 319.361 1.205 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(C)o1 ZINC000832864947 600870490 /nfs/dbraw/zinc/87/04/90/600870490.db2.gz XSRJTAYRTGHOEU-WDEREUQCSA-N -1 0 308.334 1.548 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1 ZINC000833102170 600919481 /nfs/dbraw/zinc/91/94/81/600919481.db2.gz FEACXYPCLPEADQ-KGLIPLIRSA-N -1 0 318.373 1.658 20 50 DDGDRM N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000833073935 600932382 /nfs/dbraw/zinc/93/23/82/600932382.db2.gz KMUMAQWXESIXED-OLZOCXBDSA-N -1 0 315.329 1.210 20 50 DDGDRM Cc1ccc(Oc2ccc(NC(=O)NNC(=O)[O-])cc2)nn1 ZINC000832953242 601077119 /nfs/dbraw/zinc/07/71/19/601077119.db2.gz DNTXTIJFUIAJML-UHFFFAOYSA-N -1 0 303.278 1.881 20 50 DDGDRM CCOC(=O)C(C#N)=CN[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000829817157 601353362 /nfs/dbraw/zinc/35/33/62/601353362.db2.gz BKVAJKVXZQKVKF-GAJOTYCWSA-N -1 0 318.329 1.771 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000826925336 603417404 /nfs/dbraw/zinc/41/74/04/603417404.db2.gz FMZDHXJTISHZRB-PWSUYJOCSA-N -1 0 322.365 1.372 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)NCCc2cccs2)CC1 ZINC000831704602 603858081 /nfs/dbraw/zinc/85/80/81/603858081.db2.gz RETSEUSFANSELQ-UHFFFAOYSA-N -1 0 324.406 1.966 20 50 DDGDRM C[C@@]1(C(=O)NNC(=O)NC2CCCCC2)CCN(C(=O)[O-])C1 ZINC000825672268 603861804 /nfs/dbraw/zinc/86/18/04/603861804.db2.gz BIDPQSJSZRJDGC-CQSZACIVSA-N -1 0 312.370 1.040 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000824374964 603968174 /nfs/dbraw/zinc/96/81/74/603968174.db2.gz VWDGEYIXNWNWKN-MNOVXSKESA-N -1 0 314.386 1.332 20 50 DDGDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NNc1ccc(F)cn1 ZINC000824204289 603998640 /nfs/dbraw/zinc/99/86/40/603998640.db2.gz PZSWPAQNJZXFCJ-SNVBAGLBSA-N -1 0 313.333 1.529 20 50 DDGDRM CCC[C@@H](NC(=O)[O-])C(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000826759008 604004656 /nfs/dbraw/zinc/00/46/56/604004656.db2.gz UWUKYZPVSWIBGG-SNVBAGLBSA-N -1 0 319.321 1.215 20 50 DDGDRM COC(=O)c1cc(OC(=O)C2(NC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000828754392 604460185 /nfs/dbraw/zinc/46/01/85/604460185.db2.gz CMXXQNFTFIADCP-UHFFFAOYSA-N -1 0 324.245 1.087 20 50 DDGDRM COC(=O)COc1ccc(NC(=O)NNC(=O)[O-])cc1Cl ZINC000831184388 604915620 /nfs/dbraw/zinc/91/56/20/604915620.db2.gz CGJLBYIUOQAAQV-UHFFFAOYSA-N -1 0 317.685 1.196 20 50 DDGDRM CC(C)(C)c1ccccc1C(=O)NNC(=O)NCCNC(=O)[O-] ZINC000823859625 605382710 /nfs/dbraw/zinc/38/27/10/605382710.db2.gz VDBZFOAECNWOJR-UHFFFAOYSA-N -1 0 322.365 1.196 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(Br)cc1 ZINC000834202303 605385424 /nfs/dbraw/zinc/38/54/24/605385424.db2.gz VAHCJYVDBGZGKI-UHFFFAOYSA-N -1 0 300.112 1.167 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NN=c1cc(Cl)cc[nH]1 ZINC000833482207 605409984 /nfs/dbraw/zinc/40/99/84/605409984.db2.gz ZJLBFTUSGMYESC-VIFPVBQESA-N -1 0 300.746 1.860 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NN=c2[nH]c3ccccc3[nH]2)o1 ZINC000834248302 605509432 /nfs/dbraw/zinc/50/94/32/605509432.db2.gz DLYSYOMHYKAASJ-UHFFFAOYSA-N -1 0 315.289 1.680 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823754424 605586054 /nfs/dbraw/zinc/58/60/54/605586054.db2.gz KQBBBWMFDYEWAD-LLVKDONJSA-N -1 0 307.350 1.579 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)c1ccoc1)c1ccccc1 ZINC000834127686 605601910 /nfs/dbraw/zinc/60/19/10/605601910.db2.gz RMQDRIFWSDWZAV-GFCCVEGCSA-N -1 0 317.301 1.440 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1c(Cl)oc2ccccc12 ZINC000834243954 605627543 /nfs/dbraw/zinc/62/75/43/605627543.db2.gz XMPOOSAIOZXQOS-UHFFFAOYSA-N -1 0 324.724 1.987 20 50 DDGDRM O=C([O-])N1[C@H](C(=O)NNc2ncc(F)cn2)C[C@H]2CCCC[C@@H]21 ZINC000834048492 605692312 /nfs/dbraw/zinc/69/23/12/605692312.db2.gz LYXOHLVWFAFSRX-MIMYLULJSA-N -1 0 323.328 1.370 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F ZINC000834174157 605740140 /nfs/dbraw/zinc/74/01/40/605740140.db2.gz URSMETMZFQEWRF-WKEGUHRASA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(Br)cc1 ZINC000834226796 605746951 /nfs/dbraw/zinc/74/69/51/605746951.db2.gz BZWGRECKWXBKHG-UHFFFAOYSA-N -1 0 314.139 1.557 20 50 DDGDRM Cc1cccn2c(C=NNC(=O)CCCNC(=O)[O-])cnc12 ZINC000833909018 605796462 /nfs/dbraw/zinc/79/64/62/605796462.db2.gz LZPFTWLYSOELCU-UHFFFAOYSA-N -1 0 303.322 1.141 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1C(=O)Nc2cccc(Cl)c21 ZINC000834229513 605797791 /nfs/dbraw/zinc/79/77/91/605797791.db2.gz KUWCBACJUBOTJG-UHFFFAOYSA-N -1 0 324.724 1.160 20 50 DDGDRM Cc1cccnc1C(=O)NNC(=O)C1(NC(=O)[O-])CCCCC1 ZINC000833910246 605926256 /nfs/dbraw/zinc/92/62/56/605926256.db2.gz JEDUVAFVJNCOCA-UHFFFAOYSA-N -1 0 320.349 1.122 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)COc2ccc(F)cc2)CC1 ZINC000834011833 605990333 /nfs/dbraw/zinc/99/03/33/605990333.db2.gz NWPPAXMHQKESPF-UHFFFAOYSA-N -1 0 323.324 1.841 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2cccc([N+](=O)[O-])c2)cn1 ZINC000834277164 606061034 /nfs/dbraw/zinc/06/10/34/606061034.db2.gz HUVWZSQCRCIPLW-UHFFFAOYSA-N -1 0 318.249 1.232 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC1=NNC(=O)Cc1cccnc1 ZINC000834185908 606080292 /nfs/dbraw/zinc/08/02/92/606080292.db2.gz RJQJGKWWHNKGOW-LBPRGKRZSA-N -1 0 304.350 1.697 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNc1ncc(F)cn1 ZINC000833826466 606081331 /nfs/dbraw/zinc/08/13/31/606081331.db2.gz HAYXKTCHACNHKO-RNCFNFMXSA-N -1 0 311.317 1.275 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(Cl)c(F)c1 ZINC000834229769 606083483 /nfs/dbraw/zinc/08/34/83/606083483.db2.gz IIELPEHKACYUJA-UHFFFAOYSA-N -1 0 317.704 1.288 20 50 DDGDRM O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)NC1CCCCC1 ZINC000833149350 600871063 /nfs/dbraw/zinc/87/10/63/600871063.db2.gz NTKZEOCXYNQFFO-QWRGUYRKSA-N -1 0 311.382 1.541 20 50 DDGDRM Cc1ncsc1C(=O)NN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833010568 601304404 /nfs/dbraw/zinc/30/44/04/601304404.db2.gz QKHYMJKKATXELI-NSHDSACASA-N -1 0 316.342 1.384 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)COc1ccccc1F)c1ccccc1 ZINC000833114717 601452840 /nfs/dbraw/zinc/45/28/40/601452840.db2.gz JFXXEAAARJLWME-HNNXBMFYSA-N -1 0 318.304 1.651 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)Nc2cc(C(=O)[O-])ccc2C)[nH]n1 ZINC000832864315 602235857 /nfs/dbraw/zinc/23/58/57/602235857.db2.gz AZLIXGNIOWNYQE-UHFFFAOYSA-N -1 0 317.305 1.191 20 50 DDGDRM O=C([O-])NNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000832748938 603217331 /nfs/dbraw/zinc/21/73/31/603217331.db2.gz WZDUXDDEYVHCPO-UHFFFAOYSA-N -1 0 321.211 1.710 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000823759476 603565661 /nfs/dbraw/zinc/56/56/61/603565661.db2.gz ILLLQXUPOINEBE-LBPRGKRZSA-N -1 0 321.377 1.621 20 50 DDGDRM C[C@H](CC(=O)NNc1cccc(C(F)(F)F)n1)NC(=O)[O-] ZINC000824679405 603657004 /nfs/dbraw/zinc/65/70/04/603657004.db2.gz KRJYZIJVWVEUIL-ZCFIWIBFSA-N -1 0 306.244 1.590 20 50 DDGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)N3CCOCC3)c21 ZINC000831736091 603823539 /nfs/dbraw/zinc/82/35/39/603823539.db2.gz GPUHCOKDEBGJAU-UHFFFAOYSA-N -1 0 318.333 1.103 20 50 DDGDRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccoc1 ZINC000832514923 603871534 /nfs/dbraw/zinc/87/15/34/603871534.db2.gz PNOMVMSCLILEPK-KOLCDFICSA-N -1 0 324.337 1.050 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831907830 603948938 /nfs/dbraw/zinc/94/89/38/603948938.db2.gz IGZIVBYEMXGPPJ-GFCCVEGCSA-N -1 0 321.230 1.639 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)CCN(C(=O)[O-])C(C)C)n1 ZINC000829101958 603966228 /nfs/dbraw/zinc/96/62/28/603966228.db2.gz PEDHDWQCLNDCKU-UHFFFAOYSA-N -1 0 311.342 1.015 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1c[nH]c2ccccc12 ZINC000824868148 604064730 /nfs/dbraw/zinc/06/47/30/604064730.db2.gz JSCNUIGYEIZKRZ-SECBINFHSA-N -1 0 318.333 1.175 20 50 DDGDRM C[C@@H](CNS(=O)(=O)c1ccc(CCCl)cc1)C(=O)[O-] ZINC000827508011 604410128 /nfs/dbraw/zinc/41/01/28/604410128.db2.gz SKEZNUPAABQSBE-VIFPVBQESA-N -1 0 305.783 1.467 20 50 DDGDRM Cc1[nH]c(C(=O)NN=c2[nH]c3ccccc3[nH]2)c(C)c1C(=O)[O-] ZINC000833739544 604546723 /nfs/dbraw/zinc/54/67/23/604546723.db2.gz FGEZPEDUWOVXNX-UHFFFAOYSA-N -1 0 313.317 1.963 20 50 DDGDRM O=C([O-])c1ccc(=NNC(=O)COCc2ccccc2)[nH]c1 ZINC000833764728 604805949 /nfs/dbraw/zinc/80/59/49/604805949.db2.gz SKGATPHDFGGLQO-UHFFFAOYSA-N -1 0 301.302 1.440 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)Cc1ccc(Cl)cc1)c1cccnc1 ZINC000833116788 604987987 /nfs/dbraw/zinc/98/79/87/604987987.db2.gz GYSMEBFKIVGDCG-AWEZNQCLSA-N -1 0 319.748 1.724 20 50 DDGDRM CN(NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000828434934 605245566 /nfs/dbraw/zinc/24/55/66/605245566.db2.gz RIPQNFPMAOVVKV-ZDUSSCGKSA-N -1 0 307.350 1.313 20 50 DDGDRM CC(C)(C)OC(=O)NCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833438024 605260017 /nfs/dbraw/zinc/26/00/17/605260017.db2.gz GAUINVAYGSCAGV-UHFFFAOYSA-N -1 0 309.322 1.353 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1cccnc1Cl ZINC000834134492 605319239 /nfs/dbraw/zinc/31/92/39/605319239.db2.gz JFEBQCIDJYFGDW-LURJTMIESA-N -1 0 308.672 1.470 20 50 DDGDRM O=C([O-])N1CCO[C@H](C(=O)NN=c2[nH]ccc3sccc32)C1 ZINC000831742786 605330990 /nfs/dbraw/zinc/33/09/90/605330990.db2.gz QYEKNUGAVVPSFA-VIFPVBQESA-N -1 0 322.346 1.118 20 50 DDGDRM Cc1cc(NNC(=O)CN(C(=O)[O-])c2ccccc2)ncn1 ZINC000830121650 605332343 /nfs/dbraw/zinc/33/23/43/605332343.db2.gz GPEFDYFTUIFVAH-UHFFFAOYSA-N -1 0 301.306 1.413 20 50 DDGDRM COc1ccc(NNC(=O)CC2CN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829484923 605421745 /nfs/dbraw/zinc/42/17/45/605421745.db2.gz XZZFYAZSQDCSIZ-UHFFFAOYSA-N -1 0 324.293 1.046 20 50 DDGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc(N)cc1 ZINC000824759659 605456925 /nfs/dbraw/zinc/45/69/25/605456925.db2.gz NZDSHSMKYRNJFY-CYBMUJFWSA-N -1 0 304.350 1.907 20 50 DDGDRM Cc1cccc(O[C@@H](C)C(=O)NN=CCCNC(=O)[O-])c1C ZINC000830523019 605461605 /nfs/dbraw/zinc/46/16/05/605461605.db2.gz WRKOWAMEVKIQSX-LBPRGKRZSA-N -1 0 307.350 1.830 20 50 DDGDRM O=C([O-])NNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000834251245 605677812 /nfs/dbraw/zinc/67/78/12/605677812.db2.gz SMIFXZLDBIOQNF-UHFFFAOYSA-N -1 0 304.262 1.836 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(CSC(F)F)o1 ZINC000834227124 605746818 /nfs/dbraw/zinc/74/68/18/605746818.db2.gz KGSPZMDRJIUCDL-UHFFFAOYSA-N -1 0 321.305 1.843 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000834228416 605795594 /nfs/dbraw/zinc/79/55/94/605795594.db2.gz GPZVDXVXBOWFBM-UHFFFAOYSA-N -1 0 315.333 1.575 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000830559183 605797727 /nfs/dbraw/zinc/79/77/27/605797727.db2.gz IDVSYKMJOUPUFZ-ZDUSSCGKSA-N -1 0 321.377 1.367 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CCCNC(=O)[O-])c(F)cc1F ZINC000833899059 605976992 /nfs/dbraw/zinc/97/69/92/605976992.db2.gz WOSHCJBSNRWIOP-UHFFFAOYSA-N -1 0 315.276 1.082 20 50 DDGDRM Cn1cc(C=NNC(=O)CNC(=O)[O-])c(C2CCCCC2)n1 ZINC000833945705 606079551 /nfs/dbraw/zinc/07/95/51/606079551.db2.gz ADFGXCACLPBOMW-UHFFFAOYSA-N -1 0 307.354 1.186 20 50 DDGDRM CC=CC=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825029356 608624384 /nfs/dbraw/zinc/62/43/84/608624384.db2.gz QKCTYVJPNMIEBH-MQQKCMAXSA-N -1 0 305.729 1.491 20 50 DDGDRM Cc1cc(C(=O)NN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)o1 ZINC000832864896 601298474 /nfs/dbraw/zinc/29/84/74/601298474.db2.gz WTFJLVYHUHYYRC-CQSZACIVSA-N -1 0 313.313 1.828 20 50 DDGDRM C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000825636750 602265336 /nfs/dbraw/zinc/26/53/36/602265336.db2.gz SFEYHUZILWLGHT-VIFPVBQESA-N -1 0 305.359 1.096 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000827303511 602265982 /nfs/dbraw/zinc/26/59/82/602265982.db2.gz GJUUORSXIDWIBD-SECBINFHSA-N -1 0 324.406 1.181 20 50 DDGDRM COc1ccccc1NC(=S)NNC(=O)[C@@H](C)CC(=O)[O-] ZINC000832622982 602266701 /nfs/dbraw/zinc/26/67/01/602266701.db2.gz KWMWTVLZQGSRBS-QMMMGPOBSA-N -1 0 311.363 1.124 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NN=c2[nH]cccc2[N+](=O)[O-])C1 ZINC000833183903 602323783 /nfs/dbraw/zinc/32/37/83/602323783.db2.gz LXFDASIIZQFHSO-IUCAKERBSA-N -1 0 308.294 1.324 20 50 DDGDRM O=C([O-])Nc1ccc(C=NNC(=O)NCC(F)(F)F)cn1 ZINC000832840586 603487940 /nfs/dbraw/zinc/48/79/40/603487940.db2.gz JYSUSQKAANTILP-UHFFFAOYSA-N -1 0 305.216 1.367 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNC(=O)c1c[nH]c2ccccc12 ZINC000823965281 603617098 /nfs/dbraw/zinc/61/70/98/603617098.db2.gz VGNURRYIIXHYQK-UHFFFAOYSA-N -1 0 318.333 1.223 20 50 DDGDRM O=C([O-])NNC(=O)NCc1nccn1CCCc1ccccc1 ZINC000832748319 603673238 /nfs/dbraw/zinc/67/32/38/603673238.db2.gz HBPHWHNOXCICKB-UHFFFAOYSA-N -1 0 317.349 1.498 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)CCc2ccccc2O)CC1 ZINC000831436048 603860538 /nfs/dbraw/zinc/86/05/38/603860538.db2.gz GLRAIFKURPVNPC-UHFFFAOYSA-N -1 0 319.361 1.817 20 50 DDGDRM N#Cc1cccc(C(=O)NN=CC2CCN(C(=O)[O-])CC2)c1 ZINC000831146770 603860576 /nfs/dbraw/zinc/86/05/76/603860576.db2.gz YIEHHMHGBSLVBG-UHFFFAOYSA-N -1 0 300.318 1.664 20 50 DDGDRM CC(C)CC(=O)NNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000824170097 603860690 /nfs/dbraw/zinc/86/06/90/603860690.db2.gz FDTWEFYSEKXPGQ-MNOVXSKESA-N -1 0 314.386 1.189 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000832276723 604005914 /nfs/dbraw/zinc/00/59/14/604005914.db2.gz DEDBMKGLSOAIGA-RQJHMYQMSA-N -1 0 317.267 1.983 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1 ZINC000824867075 604058396 /nfs/dbraw/zinc/05/83/96/604058396.db2.gz AOPWENISEGBHJJ-MRVPVSSYSA-N -1 0 313.741 1.347 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNc1cc(F)c(F)cc1F ZINC000824867900 604221153 /nfs/dbraw/zinc/22/11/53/604221153.db2.gz GQXWVXZLVVQAIZ-ZCFIWIBFSA-N -1 0 305.256 1.793 20 50 DDGDRM O=C([O-])c1cccc(C(=O)NN=c2nc[nH]c3ccsc32)n1 ZINC000833328477 604425224 /nfs/dbraw/zinc/42/52/24/604425224.db2.gz PHXTZNAJJZIMOO-UHFFFAOYSA-N -1 0 315.314 1.541 20 50 DDGDRM O=C([O-])N1CCO[C@@H](CC(=O)NNc2cccc(Cl)c2)C1 ZINC000831387930 604680908 /nfs/dbraw/zinc/68/09/08/604680908.db2.gz QXZDBRVOQMFUQX-NSHDSACASA-N -1 0 313.741 1.552 20 50 DDGDRM CCc1ccc(C(=O)NN=C(C)c2cn(CC(=O)[O-])nn2)cc1 ZINC000830232225 604783671 /nfs/dbraw/zinc/78/36/71/604783671.db2.gz JTBJOXVKJRUYFH-UHFFFAOYSA-N -1 0 315.333 1.079 20 50 DDGDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NNc1ccccc1 ZINC000826124230 604891795 /nfs/dbraw/zinc/89/17/95/604891795.db2.gz AYJMFQYREMMVJY-ZYHUDNBSSA-N -1 0 322.365 1.816 20 50 DDGDRM COc1ccc(O)c(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1 ZINC000833733345 604916468 /nfs/dbraw/zinc/91/64/68/604916468.db2.gz PEGIEGZUHUFDOI-UHFFFAOYSA-N -1 0 303.274 1.251 20 50 DDGDRM CC[C@H](NC(=O)[O-])C(=O)NNc1ccc(Br)cc1 ZINC000827525075 605153978 /nfs/dbraw/zinc/15/39/78/605153978.db2.gz WFXIRBVYJZITGU-VIFPVBQESA-N -1 0 316.155 1.938 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cc(Cl)cc2cccnc12 ZINC000834199744 605383615 /nfs/dbraw/zinc/38/36/15/605383615.db2.gz LBBGIAKYGDAKAL-UHFFFAOYSA-N -1 0 306.709 1.606 20 50 DDGDRM COCCCNC(=O)NN=C(C)C[C@@H]1CCCN1C(=O)[O-] ZINC000828950017 605464046 /nfs/dbraw/zinc/46/40/46/605464046.db2.gz BPDFOMMCZCZYTD-NSHDSACASA-N -1 0 300.359 1.231 20 50 DDGDRM CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1cnccn1 ZINC000824759264 605474601 /nfs/dbraw/zinc/47/46/01/605474601.db2.gz KAVIKYGWEQUCLZ-GFCCVEGCSA-N -1 0 319.365 1.895 20 50 DDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)NC1CCCCC1 ZINC000823849596 605575082 /nfs/dbraw/zinc/57/50/82/605575082.db2.gz DOKNCZMPQPJOEM-SNVBAGLBSA-N -1 0 314.386 1.332 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1NC(=O)[O-] ZINC000829961216 605803419 /nfs/dbraw/zinc/80/34/19/605803419.db2.gz CUHYCPXCCXABDY-UHFFFAOYSA-N -1 0 302.290 1.488 20 50 DDGDRM C[C@@H](NC(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000833895503 606000949 /nfs/dbraw/zinc/00/09/49/606000949.db2.gz VVJPKHCXWYVMHJ-RXMQYKEDSA-N -1 0 309.219 1.944 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)C1CCCC1 ZINC000833831304 606011561 /nfs/dbraw/zinc/01/15/61/606011561.db2.gz QLZSQCSIGZMREU-ABAIWWIYSA-N -1 0 311.382 1.541 20 50 DDGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000833468791 606032796 /nfs/dbraw/zinc/03/27/96/606032796.db2.gz RFKCXWFSUOOFBR-QMMMGPOBSA-N -1 0 321.259 1.231 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)CCc2ccccc2O)C1 ZINC000833999495 606053634 /nfs/dbraw/zinc/05/36/34/606053634.db2.gz LKYHXTGFOSLCOV-GFCCVEGCSA-N -1 0 319.361 1.817 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1 ZINC000833149302 600870840 /nfs/dbraw/zinc/87/08/40/600870840.db2.gz MAZFVOSFGMYRTH-ONGXEEELSA-N -1 0 324.764 1.992 20 50 DDGDRM N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000833073934 600932388 /nfs/dbraw/zinc/93/23/88/600932388.db2.gz KMUMAQWXESIXED-CHWSQXEVSA-N -1 0 315.329 1.210 20 50 DDGDRM Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000832928505 601065994 /nfs/dbraw/zinc/06/59/94/601065994.db2.gz TYRLJPCASUDSPQ-DELQEKLWSA-N -1 0 316.313 1.035 20 50 DDGDRM N#Cc1cccc([C@H](NNC(=O)CC2CCCC2)C(=O)[O-])c1 ZINC000833076800 601304648 /nfs/dbraw/zinc/30/46/48/601304648.db2.gz ZCSMPQXUBUTJKY-HNNXBMFYSA-N -1 0 301.346 1.885 20 50 DDGDRM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NNC(=O)[O-])cc1 ZINC000830282123 603443359 /nfs/dbraw/zinc/44/33/59/603443359.db2.gz OBTCPQKGKPARIL-CHWSQXEVSA-N -1 0 307.350 1.945 20 50 DDGDRM CCN(CC(=O)NNC(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000827009319 603475731 /nfs/dbraw/zinc/47/57/31/603475731.db2.gz IXBVBMPIJDPDOZ-UHFFFAOYSA-N -1 0 317.704 1.240 20 50 DDGDRM Cc1cc(CCC(=O)NNC(=O)[O-])ccc1Br ZINC000830035970 603522266 /nfs/dbraw/zinc/52/22/66/603522266.db2.gz IEZRVZAARFAWPJ-UHFFFAOYSA-N -1 0 301.140 1.989 20 50 DDGDRM C[C@H](CC(=O)NN=c1[nH]cccc1C(F)(F)F)NC(=O)[O-] ZINC000824679763 603654542 /nfs/dbraw/zinc/65/45/42/603654542.db2.gz NINOMIOCOWZCNJ-ZCFIWIBFSA-N -1 0 306.244 1.590 20 50 DDGDRM CN(NC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-])c1ccccc1 ZINC000828434960 603853572 /nfs/dbraw/zinc/85/35/72/603853572.db2.gz SDBXADCMIDLHAA-YPMHNXCESA-N -1 0 306.366 1.773 20 50 DDGDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NN=c1nc(C)cc(C)[nH]1 ZINC000826795739 603889706 /nfs/dbraw/zinc/88/97/06/603889706.db2.gz RDIQZBQBOZKXBX-NSHDSACASA-N -1 0 324.385 1.546 20 50 DDGDRM O=C([O-])N(CCNC(=O)NNc1ccc(Cl)nc1)C1CC1 ZINC000831684428 604107022 /nfs/dbraw/zinc/10/70/22/604107022.db2.gz ABBBECIMGVZXRQ-UHFFFAOYSA-N -1 0 313.745 1.504 20 50 DDGDRM N#Cc1ccc(NNC(=O)CCNC(=O)[O-])cc1C(F)(F)F ZINC000831136550 604226580 /nfs/dbraw/zinc/22/65/80/604226580.db2.gz FLGYTGLGNGRPGM-UHFFFAOYSA-N -1 0 316.239 1.678 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NN=c2[nH]cccc2[N+](=O)[O-])C1 ZINC000832324787 604313669 /nfs/dbraw/zinc/31/36/69/604313669.db2.gz ISXSUZYJZLRROI-BDAKNGLRSA-N -1 0 323.309 1.259 20 50 DDGDRM O=C([O-])NC1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000832175583 604420022 /nfs/dbraw/zinc/42/00/22/604420022.db2.gz HKXLUSFXBWUFKO-UHFFFAOYSA-N -1 0 321.377 1.150 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1 ZINC000832176033 604771453 /nfs/dbraw/zinc/77/14/53/604771453.db2.gz RFCJLSAQYCWTQS-UHFFFAOYSA-N -1 0 319.239 1.829 20 50 DDGDRM C[C@H](Sc1ccccn1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833545229 604802924 /nfs/dbraw/zinc/80/29/24/604802924.db2.gz OUAHMYFZQJDAMZ-VIFPVBQESA-N -1 0 318.358 1.799 20 50 DDGDRM C[C@@H]1CCCC[C@@H]1OCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833611116 604803076 /nfs/dbraw/zinc/80/30/76/604803076.db2.gz HVBDIIAVTFNGDM-PWSUYJOCSA-N -1 0 307.350 1.818 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)NCc1ccco1 ZINC000833406250 605040031 /nfs/dbraw/zinc/04/00/31/605040031.db2.gz MCGFTQXLUNLCAY-JTQLQIEISA-N -1 0 304.306 1.560 20 50 DDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000824210778 605124523 /nfs/dbraw/zinc/12/45/23/605124523.db2.gz JCBYUQTZKWCVRA-SECBINFHSA-N -1 0 323.378 1.817 20 50 DDGDRM CC1(C)OC[C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)O1 ZINC000833563678 605287581 /nfs/dbraw/zinc/28/75/81/605287581.db2.gz LTXGOBNJJYOUSJ-NSHDSACASA-N -1 0 309.322 1.162 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NN=c1[nH]cccc1Cl ZINC000834136739 605318597 /nfs/dbraw/zinc/31/85/97/605318597.db2.gz VYVSUXICJGRFQT-ZCFIWIBFSA-N -1 0 308.672 1.470 20 50 DDGDRM O=C([O-])NNC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000834251402 605334160 /nfs/dbraw/zinc/33/41/60/605334160.db2.gz UWMZZFJDCYUXLU-LBPRGKRZSA-N -1 0 304.281 1.792 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000832277477 605409952 /nfs/dbraw/zinc/40/99/52/605409952.db2.gz IIHRNWJKLLGZNB-SCZZXKLOSA-N -1 0 308.294 1.474 20 50 DDGDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NNC(=O)c1ccccc1 ZINC000825831148 605504051 /nfs/dbraw/zinc/50/40/51/605504051.db2.gz KHMPXTONFLXGBI-ZYHUDNBSSA-N -1 0 320.349 1.162 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834086539 605508449 /nfs/dbraw/zinc/50/84/49/605508449.db2.gz VGRBPCXYMDLHFL-CYBMUJFWSA-N -1 0 307.285 1.098 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])c1 ZINC000833970984 605545136 /nfs/dbraw/zinc/54/51/36/605545136.db2.gz ZWASRTSKJHYYRF-IUCAKERBSA-N -1 0 323.740 1.486 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000830555780 605583186 /nfs/dbraw/zinc/58/31/86/605583186.db2.gz ZNUNMTMQVGYPFI-LLVKDONJSA-N -1 0 307.350 1.438 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNc1ncc(F)cn1)c1ccccc1 ZINC000834128066 605610873 /nfs/dbraw/zinc/61/08/73/605610873.db2.gz SOUYMXVCCODZTN-LLVKDONJSA-N -1 0 319.296 1.458 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F ZINC000834049082 605720279 /nfs/dbraw/zinc/72/02/79/605720279.db2.gz XPIRGLIPVSVBKT-SSDOTTSWSA-N -1 0 321.280 1.600 20 50 DDGDRM O=C([O-])NCC(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000833777156 605736583 /nfs/dbraw/zinc/73/65/83/605736583.db2.gz FNOMTDYIYRHJFF-UHFFFAOYSA-N -1 0 307.228 1.338 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000834228035 605748593 /nfs/dbraw/zinc/74/85/93/605748593.db2.gz XHRZLGOJDZIUHK-UHFFFAOYSA-N -1 0 319.296 1.324 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CCN(Cc2ccccc2)C1 ZINC000834227583 605750178 /nfs/dbraw/zinc/75/01/78/605750178.db2.gz IUIHGMBJBROORG-UHFFFAOYSA-N -1 0 304.350 1.022 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc2ccccc2n1 ZINC000834228442 605797183 /nfs/dbraw/zinc/79/71/83/605797183.db2.gz HCGHQYQOUFUIHS-UHFFFAOYSA-N -1 0 300.318 1.733 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)Cn1ccc2ccccc21 ZINC000834167957 605858518 /nfs/dbraw/zinc/85/85/18/605858518.db2.gz FKBIUALKUDYGGY-LBPRGKRZSA-N -1 0 314.345 1.934 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)c1ccc2c(c1)OCCO2 ZINC000834167600 605858579 /nfs/dbraw/zinc/85/85/79/605858579.db2.gz COKJYFKFHCEESM-SNVBAGLBSA-N -1 0 319.317 1.364 20 50 DDGDRM O=C([O-])Nc1ccc(CC(=O)NNc2ccnc(F)c2)cc1 ZINC000834254329 605875903 /nfs/dbraw/zinc/87/59/03/605875903.db2.gz ADWJWVLTRMMMQO-UHFFFAOYSA-N -1 0 304.281 1.996 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)Cc2ccc(F)cc2)C1 ZINC000834012698 606047817 /nfs/dbraw/zinc/04/78/17/606047817.db2.gz FUIUUYDDKAQSJT-LBPRGKRZSA-N -1 0 307.325 1.860 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1 ZINC000833148955 600835213 /nfs/dbraw/zinc/83/52/13/600835213.db2.gz BRPFCLXXZFFNFZ-QWRGUYRKSA-N -1 0 324.764 1.992 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000833000833 601211592 /nfs/dbraw/zinc/21/15/92/601211592.db2.gz PSNDQIKRUQYZJO-IUCAKERBSA-N -1 0 312.757 1.773 20 50 DDGDRM Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)CC(=O)[O-])c1C ZINC000832972562 602070873 /nfs/dbraw/zinc/07/08/73/602070873.db2.gz FCRGMGCGAXXLLN-ZYHUDNBSSA-N -1 0 322.361 1.329 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)Cc1ccc(Cl)cc1)NC(=O)[O-] ZINC000824671414 603231120 /nfs/dbraw/zinc/23/11/20/603231120.db2.gz HAFUZPFESFQRKA-QMMMGPOBSA-N -1 0 313.741 1.076 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000823754253 603482611 /nfs/dbraw/zinc/48/26/11/603482611.db2.gz FMNKVRBVTLKSQL-GFCCVEGCSA-N -1 0 321.377 1.449 20 50 DDGDRM Cc1ccc(CNC(=O)NNC(=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000830318789 603529809 /nfs/dbraw/zinc/52/98/09/603529809.db2.gz ZIATYCMAIMCKJU-LLVKDONJSA-N -1 0 323.349 1.392 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNc1c(F)c(F)nc(F)c1F ZINC000823964331 603614726 /nfs/dbraw/zinc/61/47/26/603614726.db2.gz ABEVMDGHESWYBY-UHFFFAOYSA-N -1 0 324.234 1.375 20 50 DDGDRM O=C([O-])NCC1(C(=O)NNC(=O)NC2CCCC2)CCCC1 ZINC000832443048 603647690 /nfs/dbraw/zinc/64/76/90/603647690.db2.gz MCNHYCBDZXFDRJ-UHFFFAOYSA-N -1 0 312.370 1.087 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)CNc2ccccc2F)CC1 ZINC000831499175 603856648 /nfs/dbraw/zinc/85/66/48/603856648.db2.gz QFJBXRQXCVIWRG-UHFFFAOYSA-N -1 0 322.340 1.730 20 50 DDGDRM Cc1nccn1-c1ccc([C@H](C)NC(=O)NNC(=O)[O-])cc1 ZINC000830818725 604143937 /nfs/dbraw/zinc/14/39/37/604143937.db2.gz POMILLQRQBBEDV-VIFPVBQESA-N -1 0 303.322 1.724 20 50 DDGDRM O=C([O-])NC[C@@H](NC(=O)NNc1ccc(Cl)nc1)C1CC1 ZINC000832428383 604153743 /nfs/dbraw/zinc/15/37/43/604153743.db2.gz RAVLPZZSLGFDBE-SECBINFHSA-N -1 0 313.745 1.407 20 50 DDGDRM CC(=NNC(=O)c1ccc(Cl)cc1)c1cn(CC(=O)[O-])nn1 ZINC000825804789 604781099 /nfs/dbraw/zinc/78/10/99/604781099.db2.gz WWPHQYKANODOLZ-UHFFFAOYSA-N -1 0 321.724 1.170 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccoc1)C1CCN(C(=O)[O-])CC1 ZINC000824672508 604788715 /nfs/dbraw/zinc/78/87/15/604788715.db2.gz XYZUDGBLAAZWNO-JTQLQIEISA-N -1 0 323.349 1.457 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccccc1O ZINC000833406208 605038053 /nfs/dbraw/zinc/03/80/53/605038053.db2.gz LPZZEZLENVABCT-SNVBAGLBSA-N -1 0 301.302 1.603 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)CNc1ccccc1 ZINC000833408328 605038540 /nfs/dbraw/zinc/03/85/40/605038540.db2.gz SQMVDMKFXCZYNZ-LBPRGKRZSA-N -1 0 314.345 1.696 20 50 DDGDRM Cc1ccccc1NNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000830585845 605251958 /nfs/dbraw/zinc/25/19/58/605251958.db2.gz FUSABNVKWFEBMQ-LBPRGKRZSA-N -1 0 307.350 1.597 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1cccnc1Cl ZINC000834134493 605318968 /nfs/dbraw/zinc/31/89/68/605318968.db2.gz JFEBQCIDJYFGDW-ZCFIWIBFSA-N -1 0 308.672 1.470 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNc1ccccn1)Cc1ccccc1 ZINC000834129380 605325048 /nfs/dbraw/zinc/32/50/48/605325048.db2.gz XAZOWXKHMKQFML-ZDUSSCGKSA-N -1 0 314.345 1.794 20 50 DDGDRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NNc1ccccc1[N+](=O)[O-] ZINC000833999137 605386292 /nfs/dbraw/zinc/38/62/92/605386292.db2.gz ZPAJHFFOTOXQBN-JTQLQIEISA-N -1 0 322.321 1.961 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000834204080 605391559 /nfs/dbraw/zinc/39/15/59/605391559.db2.gz WYLOOFMZDDMCMF-UHFFFAOYSA-N -1 0 320.733 1.064 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)NC1CCCC1)c1ccccc1 ZINC000831450445 605673817 /nfs/dbraw/zinc/67/38/17/605673817.db2.gz AHKRDJYVEAFLGI-UHFFFAOYSA-N -1 0 320.349 1.444 20 50 DDGDRM C[C@@H](Oc1cccnc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833541231 605732633 /nfs/dbraw/zinc/73/26/33/605732633.db2.gz AHBZIVAJLWFTMR-SNVBAGLBSA-N -1 0 301.302 1.690 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1cc(F)c(F)cc1F ZINC000834048912 605739474 /nfs/dbraw/zinc/73/94/74/605739474.db2.gz VMJKFOPKCAGSHC-VIFPVBQESA-N -1 0 321.280 1.600 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc(Br)cs1 ZINC000834227876 605747796 /nfs/dbraw/zinc/74/77/96/605747796.db2.gz PYCQUJALGXSHJR-UHFFFAOYSA-N -1 0 320.168 1.618 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc(F)cc(C(F)(F)F)c1 ZINC000834228009 605751070 /nfs/dbraw/zinc/75/10/70/605751070.db2.gz WHCXXQOVVQMSCN-UHFFFAOYSA-N -1 0 321.230 1.952 20 50 DDGDRM CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833844205 605810714 /nfs/dbraw/zinc/81/07/14/605810714.db2.gz IKFMXFYNNCIODA-MNOVXSKESA-N -1 0 314.386 1.333 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@]2(C)CCCN(C(=O)[O-])C2)c(C)o1 ZINC000833898885 605846981 /nfs/dbraw/zinc/84/69/81/605846981.db2.gz SYNHRCFUXHNDFF-HNNXBMFYSA-N -1 0 323.349 1.438 20 50 DDGDRM Cc1cccnc1C(=O)NNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833910474 605926077 /nfs/dbraw/zinc/92/60/77/605926077.db2.gz LBUUJXPZRNXCIN-UHFFFAOYSA-N -1 0 314.301 1.555 20 50 DDGDRM N#Cc1ccccc1C=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833975758 606053452 /nfs/dbraw/zinc/05/34/52/606053452.db2.gz FNCXOWOJTHRBHC-UHFFFAOYSA-N -1 0 315.333 1.334 20 50 DDGDRM CC(C)(C)OC(=O)NCC1(C(=O)NNC(=O)[O-])CCCC1 ZINC000823818073 603612581 /nfs/dbraw/zinc/61/25/81/603612581.db2.gz UJAPOVVPEMFULP-UHFFFAOYSA-N -1 0 301.343 1.370 20 50 DDGDRM Cc1[nH]c(C(=O)NNc2cc(Cl)nc(C)n2)c(C)c1C(=O)[O-] ZINC000833000263 601384312 /nfs/dbraw/zinc/38/43/12/601384312.db2.gz GMQHXEAJNJLURD-UHFFFAOYSA-N -1 0 323.740 1.838 20 50 DDGDRM CC(C)(CNC(=O)NNC(=O)CCCc1ccccc1)C(=O)[O-] ZINC000826585533 601670053 /nfs/dbraw/zinc/67/00/53/601670053.db2.gz NKLWYKLMKWUCBW-UHFFFAOYSA-N -1 0 321.377 1.451 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc2cccnc21 ZINC000827303653 602132444 /nfs/dbraw/zinc/13/24/44/602132444.db2.gz HHNJCKZWJNLMME-VIFPVBQESA-N -1 0 301.302 1.107 20 50 DDGDRM Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000832926678 602266641 /nfs/dbraw/zinc/26/66/41/602266641.db2.gz ZIVVRKLFYPIZGN-JTQLQIEISA-N -1 0 309.391 1.732 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000823822398 603218118 /nfs/dbraw/zinc/21/81/18/603218118.db2.gz HXGZIDKLHLTQFX-NSHDSACASA-N -1 0 323.349 1.594 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000824171415 603287210 /nfs/dbraw/zinc/28/72/10/603287210.db2.gz ZXEGYPTYMUWTSM-LBPRGKRZSA-N -1 0 307.350 1.231 20 50 DDGDRM Cc1ccc(C(=O)NN=Cc2ccc(NC(=O)[O-])nc2)c(O)c1 ZINC000830225495 603487078 /nfs/dbraw/zinc/48/70/78/603487078.db2.gz PSWVDSHSTSAGNJ-UHFFFAOYSA-N -1 0 314.301 1.949 20 50 DDGDRM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NNC(=O)[O-] ZINC000826124166 603629841 /nfs/dbraw/zinc/62/98/41/603629841.db2.gz APACRJKNPYARQK-HTQZYQBOSA-N -1 0 317.342 1.046 20 50 DDGDRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccccc1 ZINC000832476230 603681777 /nfs/dbraw/zinc/68/17/77/603681777.db2.gz ULWMLLXCKXTAAE-NWDGAFQWSA-N -1 0 320.349 1.067 20 50 DDGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NNC(=O)C1CCCC1 ZINC000826796136 603904226 /nfs/dbraw/zinc/90/42/26/603904226.db2.gz TYUHAWZFPAPJSQ-LLVKDONJSA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNc2ccc(F)c(F)c2F)C1 ZINC000831366668 604063875 /nfs/dbraw/zinc/06/38/75/604063875.db2.gz TUSLIYTYKMQFSP-UHFFFAOYSA-N -1 0 303.240 1.547 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824671797 604290423 /nfs/dbraw/zinc/29/04/23/604290423.db2.gz MAIGNINPZMWTTP-WDEREUQCSA-N -1 0 322.365 1.192 20 50 DDGDRM CC(C)N(CCC(=O)NN=c1[nH]cccc1[N+](=O)[O-])C(=O)[O-] ZINC000824341453 604312518 /nfs/dbraw/zinc/31/25/18/604312518.db2.gz KQEGMGXHORAEGY-UHFFFAOYSA-N -1 0 311.298 1.211 20 50 DDGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1cc(C#N)cc(Cl)n1 ZINC000833467137 604559857 /nfs/dbraw/zinc/55/98/57/604559857.db2.gz CVZMNYVCYPZIEQ-SNVBAGLBSA-N -1 0 311.729 1.342 20 50 DDGDRM CC(C)NC(=O)NNC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000824373971 604784453 /nfs/dbraw/zinc/78/44/53/604784453.db2.gz NLXDARBKCMXBTQ-SNVBAGLBSA-N -1 0 314.386 1.141 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccoc1)C1CCN(C(=O)[O-])CC1 ZINC000824672509 604788794 /nfs/dbraw/zinc/78/87/94/604788794.db2.gz XYZUDGBLAAZWNO-SNVBAGLBSA-N -1 0 323.349 1.457 20 50 DDGDRM Cc1cc(C)n(-c2ccccc2CNC(=O)NNC(=O)[O-])n1 ZINC000830010376 604824094 /nfs/dbraw/zinc/82/40/94/604824094.db2.gz PDZNTLZLCCKLSN-UHFFFAOYSA-N -1 0 303.322 1.471 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)COCc1ccccc1)c1cccnc1 ZINC000833114933 605003470 /nfs/dbraw/zinc/00/34/70/605003470.db2.gz YIMUBZPPNLIBQP-HNNXBMFYSA-N -1 0 315.329 1.045 20 50 DDGDRM CC(C)N(CCC(=O)NN=c1nc[nH]c2ccsc21)C(=O)[O-] ZINC000824341454 605124663 /nfs/dbraw/zinc/12/46/63/605124663.db2.gz KRHHARPQBADUPZ-UHFFFAOYSA-N -1 0 323.378 1.913 20 50 DDGDRM CCC[C@@H](NC(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000826756956 605125343 /nfs/dbraw/zinc/12/53/43/605125343.db2.gz BKCCLJOKSCHLRV-MRVPVSSYSA-N -1 0 309.351 1.571 20 50 DDGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000833469660 605235893 /nfs/dbraw/zinc/23/58/93/605235893.db2.gz XWPZLCLHDUVPMU-CYBMUJFWSA-N -1 0 302.334 1.970 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1Cl ZINC000834227510 605308336 /nfs/dbraw/zinc/30/83/36/605308336.db2.gz WFOBBRCKKNQVOD-UHFFFAOYSA-N -1 0 314.685 1.356 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(-c2ccncc2)cc1F ZINC000834201651 605382095 /nfs/dbraw/zinc/38/20/95/605382095.db2.gz MVCMFZFPNCUIOQ-UHFFFAOYSA-N -1 0 316.292 1.605 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNC(=O)c1ccccc1 ZINC000833998630 605386576 /nfs/dbraw/zinc/38/65/76/605386576.db2.gz SDHULRXLINHUGD-LBPRGKRZSA-N -1 0 305.334 1.370 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1csc(-c2ccccc2)n1 ZINC000834202304 605388112 /nfs/dbraw/zinc/38/81/12/605388112.db2.gz VASBHIQJLCTXCA-UHFFFAOYSA-N -1 0 304.331 1.528 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000834202579 605466895 /nfs/dbraw/zinc/46/68/95/605466895.db2.gz YRRZSSQFCKSBSE-UHFFFAOYSA-N -1 0 323.324 1.053 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(-n2ccnc2C)cc1 ZINC000833384773 605590029 /nfs/dbraw/zinc/59/00/29/605590029.db2.gz MMFKCQJZAHZPLA-UHFFFAOYSA-N -1 0 315.333 1.289 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)NCC1CC1)c1ccccc1 ZINC000834126782 605599152 /nfs/dbraw/zinc/59/91/52/605599152.db2.gz MGFNPLAROHBHPI-GFCCVEGCSA-N -1 0 320.349 1.126 20 50 DDGDRM O=C([O-])N1CCC[C@H](OCC(=O)NNc2ccccc2F)C1 ZINC000834009053 605716884 /nfs/dbraw/zinc/71/68/84/605716884.db2.gz AZFOKKGGQWJLSM-JTQLQIEISA-N -1 0 311.313 1.428 20 50 DDGDRM CC(=O)N1CCC(C(=O)NNc2ccccc2C(=O)[O-])CC1 ZINC000833393025 605721113 /nfs/dbraw/zinc/72/11/13/605721113.db2.gz NPFFHDCTWQJTQV-UHFFFAOYSA-N -1 0 305.334 1.086 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1occc1Br ZINC000834227105 605749309 /nfs/dbraw/zinc/74/93/09/605749309.db2.gz JIWOAFRGQLFCLK-UHFFFAOYSA-N -1 0 304.100 1.150 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCC2(CCOCC2)CC1 ZINC000834230668 605798700 /nfs/dbraw/zinc/79/87/00/605798700.db2.gz XQJMIPJEYQCMOG-UHFFFAOYSA-N -1 0 311.382 1.877 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000834170090 605859278 /nfs/dbraw/zinc/85/92/78/605859278.db2.gz QUTZQUBNPVDSHA-MFKMUULPSA-N -1 0 303.318 1.282 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNc1nccnc1Cl ZINC000834274899 606098355 /nfs/dbraw/zinc/09/83/55/606098355.db2.gz UFZDKZAWKBMEPS-UHFFFAOYSA-N -1 0 321.724 1.906 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@H]1C[C@H]1C1CC1 ZINC000826445183 608579040 /nfs/dbraw/zinc/57/90/40/608579040.db2.gz JYRJWSGARTXVPD-IUCAKERBSA-N -1 0 319.756 1.404 20 50 DDGDRM N#Cc1cccc([C@H](NNC(=O)c2ccccc2F)C(=O)[O-])c1 ZINC000833075090 601299007 /nfs/dbraw/zinc/29/90/07/601299007.db2.gz HLMKVJRWHXSQTE-AWEZNQCLSA-N -1 0 313.288 1.758 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NCCCN(C)C(=O)[O-] ZINC000830870460 603671937 /nfs/dbraw/zinc/67/19/37/603671937.db2.gz IZPKPEYYJRYFMF-UHFFFAOYSA-N -1 0 316.789 1.468 20 50 DDGDRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccccc1 ZINC000832476233 603681919 /nfs/dbraw/zinc/68/19/19/603681919.db2.gz ULWMLLXCKXTAAE-VXGBXAGGSA-N -1 0 320.349 1.067 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)CNc2ccccc2)CC1 ZINC000831500853 603856493 /nfs/dbraw/zinc/85/64/93/603856493.db2.gz YUISGRKFQOFORY-UHFFFAOYSA-N -1 0 304.350 1.591 20 50 DDGDRM O=C([O-])N[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1 ZINC000832135768 603895930 /nfs/dbraw/zinc/89/59/30/603895930.db2.gz OKTRSWBSZCHBFK-LBPRGKRZSA-N -1 0 320.349 1.126 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)NC2CCCCC2)C1 ZINC000832279957 603939143 /nfs/dbraw/zinc/93/91/43/603939143.db2.gz SZKXWEQBPGUVGD-ONGXEEELSA-N -1 0 312.370 1.086 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000823754390 603953937 /nfs/dbraw/zinc/95/39/37/603953937.db2.gz JUERBFDBXHZFLY-GHMZBOCLSA-N -1 0 313.398 1.787 20 50 DDGDRM O=C([O-])N1CC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831742675 604007873 /nfs/dbraw/zinc/00/78/73/604007873.db2.gz NHRJCDMEAVFZCX-LURJTMIESA-N -1 0 303.240 1.547 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CC2(NC(=O)[O-])CCC2)c(C)o1 ZINC000829956489 604060878 /nfs/dbraw/zinc/06/08/78/604060878.db2.gz IMDZUFKWSBIVKD-UHFFFAOYSA-N -1 0 309.322 1.238 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CSC[C@@H](C)C(=O)[O-] ZINC000832977307 604747608 /nfs/dbraw/zinc/74/76/08/604747608.db2.gz IFWWDEOWOKGMPP-LLVKDONJSA-N -1 0 324.402 1.139 20 50 DDGDRM CC(C)(C)C(=O)NCCCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833421774 604802289 /nfs/dbraw/zinc/80/22/89/604802289.db2.gz COSGZGLGIDXLSG-UHFFFAOYSA-N -1 0 322.365 1.165 20 50 DDGDRM O=C([O-])NNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000832748644 604898519 /nfs/dbraw/zinc/89/85/19/604898519.db2.gz OWALNUCJXPAJEQ-UHFFFAOYSA-N -1 0 309.109 1.249 20 50 DDGDRM O=C([O-])NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000834250336 605336830 /nfs/dbraw/zinc/33/68/30/605336830.db2.gz GUSOFKLPKSNJNC-ZCFIWIBFSA-N -1 0 315.688 1.131 20 50 DDGDRM COCCO[C@@H](C)C(=O)NN=C(C)C[C@@H]1CCCN1C(=O)[O-] ZINC000828996294 605467283 /nfs/dbraw/zinc/46/72/83/605467283.db2.gz PONZPSCYGWCUPI-RYUDHWBXSA-N -1 0 315.370 1.063 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000833384706 605590219 /nfs/dbraw/zinc/59/02/19/605590219.db2.gz MBWDDHNADFCVOV-UHFFFAOYSA-N -1 0 301.249 1.396 20 50 DDGDRM CCOc1ncccc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833665397 605733177 /nfs/dbraw/zinc/73/31/77/605733177.db2.gz RKIMYZHRPAJKIA-UHFFFAOYSA-N -1 0 301.302 1.935 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(C(F)F)cc1 ZINC000834230142 605975127 /nfs/dbraw/zinc/97/51/27/605975127.db2.gz SMWGLSIFMBHWLZ-UHFFFAOYSA-N -1 0 315.276 1.433 20 50 DDGDRM O=C([O-])NNC(=O)CCc1cc(Br)ccc1F ZINC000834250170 605387241 /nfs/dbraw/zinc/38/72/41/605387241.db2.gz DFSZHDVFEIQXAZ-UHFFFAOYSA-N -1 0 305.103 1.820 20 50 DDGDRM Cc1ccc(C(=O)NN=Cc2c(C)nn(CCC(=O)[O-])c2C)o1 ZINC000832912052 601500140 /nfs/dbraw/zinc/50/01/40/601500140.db2.gz RRFOQNQAIDBSMY-UHFFFAOYSA-N -1 0 318.333 1.640 20 50 DDGDRM Cc1c(/C=C(\C#N)C(=O)NCC(C)(C)C(=O)[O-])cc(C#N)n1C ZINC000832853829 601712517 /nfs/dbraw/zinc/71/25/17/601712517.db2.gz VUZGVNCSXUZYNO-LFYBBSHMSA-N -1 0 314.345 1.339 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CCCCC2 ZINC000827304504 602073284 /nfs/dbraw/zinc/07/32/84/602073284.db2.gz WGYFGSHTWZBJEJ-VIFPVBQESA-N -1 0 324.402 1.889 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000824233472 602830226 /nfs/dbraw/zinc/83/02/26/602830226.db2.gz YEJAVGTYFUIPIH-ZDUSSCGKSA-N -1 0 321.377 1.621 20 50 DDGDRM CC(C)(CNC(=O)NNc1c(F)cccc1F)NC(=O)[O-] ZINC000823941708 603441638 /nfs/dbraw/zinc/44/16/38/603441638.db2.gz WZUWGZPSOBJGBL-UHFFFAOYSA-N -1 0 302.281 1.637 20 50 DDGDRM Cc1cc[nH]c(=NNC(=O)c2ccc(CNC(=O)[O-])cc2)c1 ZINC000830612127 603481172 /nfs/dbraw/zinc/48/11/72/603481172.db2.gz VBLXFAHJBAPKMU-UHFFFAOYSA-N -1 0 300.318 1.915 20 50 DDGDRM COc1ccc([C@@H](C)C(C)=NNC(=O)NCCNC(=O)[O-])cc1 ZINC000829291513 603581630 /nfs/dbraw/zinc/58/16/30/603581630.db2.gz ASEXRRMACLTDSF-JTQLQIEISA-N -1 0 322.365 1.741 20 50 DDGDRM O=C([O-])NC1CCC(C(=O)NNc2ccncc2Cl)CC1 ZINC000832279824 603805901 /nfs/dbraw/zinc/80/59/01/603805901.db2.gz SPWQZXDBTLPZSM-UHFFFAOYSA-N -1 0 312.757 1.426 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823766763 603850047 /nfs/dbraw/zinc/85/00/47/603850047.db2.gz UYLICYYVFUSPQV-ZJUUUORDSA-N -1 0 314.386 1.189 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000831731370 603856354 /nfs/dbraw/zinc/85/63/54/603856354.db2.gz WRCQKJXNLYGESX-UHFFFAOYSA-N -1 0 319.317 1.521 20 50 DDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NN=c1cccc[nH]1)C2 ZINC000831742371 603881275 /nfs/dbraw/zinc/88/12/75/603881275.db2.gz CRFKMYNYIKSAPG-FGWVZKOKSA-N -1 0 305.338 1.381 20 50 DDGDRM C[C@@]1(C(=O)NNc2cnnc3ccccc32)CCN(C(=O)[O-])C1 ZINC000825677627 604063528 /nfs/dbraw/zinc/06/35/28/604063528.db2.gz IFTHDVFCLPXDCS-OAHLLOKOSA-N -1 0 315.333 1.463 20 50 DDGDRM COc1ccc(NNC(=O)[C@@H](CCSC)NC(=O)[O-])cc1 ZINC000829479766 604222217 /nfs/dbraw/zinc/22/22/17/604222217.db2.gz NIBYYVUAKKISAQ-LLVKDONJSA-N -1 0 313.379 1.528 20 50 DDGDRM O=C([O-])NC1(C(=O)NNC(=O)c2cccc3ccccc32)CC1 ZINC000832175520 604471740 /nfs/dbraw/zinc/47/17/40/604471740.db2.gz DVUBSOBFSMUKNG-UHFFFAOYSA-N -1 0 313.313 1.401 20 50 DDGDRM CCOc1ccc(/C=C(\C#N)C(=O)N(CC)CC(=O)[O-])cc1 ZINC000833664147 605061392 /nfs/dbraw/zinc/06/13/92/605061392.db2.gz PGNFQEHHJSHIHU-UKTHLTGXSA-N -1 0 302.330 1.925 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000832279362 605126341 /nfs/dbraw/zinc/12/63/41/605126341.db2.gz QKGHSAUFTLJJGT-JGVFFNPUSA-N -1 0 321.362 1.571 20 50 DDGDRM Cc1oc2ccccc2c1C=NNC(=O)NCCNC(=O)[O-] ZINC000833934271 605388954 /nfs/dbraw/zinc/38/89/54/605388954.db2.gz DULBVMIMGYRORK-UHFFFAOYSA-N -1 0 304.306 1.642 20 50 DDGDRM CCC[C@](C)(NC(=O)[O-])C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000826721568 605407272 /nfs/dbraw/zinc/40/72/72/605407272.db2.gz SWOVOOYWMXLDLB-ZDUSSCGKSA-N -1 0 310.310 1.864 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834170053 605508435 /nfs/dbraw/zinc/50/84/35/605508435.db2.gz PVYRCXDYWQTTFZ-UWVGGRQHSA-N -1 0 317.349 1.832 20 50 DDGDRM O=C([O-])N1CCC[C@H]1CNC(=O)NN=c1cc(Cl)cc[nH]1 ZINC000834024868 605522919 /nfs/dbraw/zinc/52/29/19/605522919.db2.gz FTWRWEISOPJUFE-VIFPVBQESA-N -1 0 313.745 1.504 20 50 DDGDRM O=C([O-])N1CC(C(=O)NNc2ccccc2C(F)(F)F)C1 ZINC000834047663 605621114 /nfs/dbraw/zinc/62/11/14/605621114.db2.gz HEZUMRHXEGTXKQ-UHFFFAOYSA-N -1 0 303.240 1.758 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)c2ccccc2)c1 ZINC000834266560 605757679 /nfs/dbraw/zinc/75/76/79/605757679.db2.gz GCLVIDQWAJTOOE-UHFFFAOYSA-N -1 0 313.313 1.780 20 50 DDGDRM O=C([O-])N[C@H](CNC(=O)NNc1cccc(F)c1F)C1CC1 ZINC000834145191 605944972 /nfs/dbraw/zinc/94/49/72/605944972.db2.gz SMCPSWMTXDCQJW-SNVBAGLBSA-N -1 0 314.292 1.637 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccc1 ZINC000826445703 608573850 /nfs/dbraw/zinc/57/38/50/608573850.db2.gz GHCRRXVQCCIVFW-UHFFFAOYSA-N -1 0 315.724 1.672 20 50 DDGDRM Cc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000832948386 600815144 /nfs/dbraw/zinc/81/51/44/600815144.db2.gz JZWGCOAASYQIMY-SFYZADRCSA-N -1 0 311.725 1.522 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1 ZINC000833149301 600870976 /nfs/dbraw/zinc/87/09/76/600870976.db2.gz MAZFVOSFGMYRTH-MWLCHTKSSA-N -1 0 324.764 1.992 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000833000835 601211534 /nfs/dbraw/zinc/21/15/34/601211534.db2.gz PSNDQIKRUQYZJO-RKDXNWHRSA-N -1 0 312.757 1.773 20 50 DDGDRM N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833061361 601447771 /nfs/dbraw/zinc/44/77/71/601447771.db2.gz AJTBDQKGNQBHME-VQEQIULKSA-N -1 0 305.265 1.958 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000833016581 601536437 /nfs/dbraw/zinc/53/64/37/601536437.db2.gz YSCKJLNXORREMM-LLVKDONJSA-N -1 0 313.785 1.722 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000833016376 601710191 /nfs/dbraw/zinc/71/01/91/601710191.db2.gz UWMPRVCMYHFWBP-KCJUWKMLSA-N -1 0 313.785 1.531 20 50 DDGDRM C[C@@H](C(=O)NNC(=O)C1CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701121 603221111 /nfs/dbraw/zinc/22/11/11/603221111.db2.gz ACAJNJCFSWCETO-SKDRFNHKSA-N -1 0 305.334 1.189 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)NCC(C)(C)NC(=O)[O-])cc1 ZINC000827576395 603457140 /nfs/dbraw/zinc/45/71/40/603457140.db2.gz CHAOHNMHBYJYNV-UHFFFAOYSA-N -1 0 322.365 1.239 20 50 DDGDRM O=C([O-])N1CCC(NC(=O)NNC(=O)[C@@H]2CC23CCCC3)CC1 ZINC000831735948 603493226 /nfs/dbraw/zinc/49/32/26/603493226.db2.gz FKAURFMUMFOBDB-NSHDSACASA-N -1 0 324.381 1.040 20 50 DDGDRM O=C([O-])NNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000832748079 603534065 /nfs/dbraw/zinc/53/40/65/603534065.db2.gz DMQUMFUHRGMABB-SSDOTTSWSA-N -1 0 300.265 1.025 20 50 DDGDRM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)[O-] ZINC000824204212 603657405 /nfs/dbraw/zinc/65/74/05/603657405.db2.gz OYSQSBSTCAYWMU-SECBINFHSA-N -1 0 318.374 1.408 20 50 DDGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)OC(C)(C)C ZINC000824195726 603657415 /nfs/dbraw/zinc/65/74/15/603657415.db2.gz CBSWKQCGHCFTAA-VIFPVBQESA-N -1 0 318.374 1.408 20 50 DDGDRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccccc1 ZINC000832476228 603681828 /nfs/dbraw/zinc/68/18/28/603681828.db2.gz ULWMLLXCKXTAAE-NEPJUHHUSA-N -1 0 320.349 1.067 20 50 DDGDRM CCC[C@](C)(NC(=O)[O-])C(=O)NNc1cc(Cl)nc(C)n1 ZINC000826720343 603919031 /nfs/dbraw/zinc/91/90/31/603919031.db2.gz HSTZNOMCYSAZKW-LBPRGKRZSA-N -1 0 315.761 1.708 20 50 DDGDRM CC(=NNC(=O)Cc1cc(C)[nH]n1)[C@H]1CCCCN1C(=O)[O-] ZINC000823527120 604087006 /nfs/dbraw/zinc/08/70/06/604087006.db2.gz HCDDJTRQENXVSD-GFCCVEGCSA-N -1 0 307.354 1.285 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNc1ccc(F)c(F)c1F ZINC000824869570 604219521 /nfs/dbraw/zinc/21/95/21/604219521.db2.gz YLYONNLZKMOVGR-ZCFIWIBFSA-N -1 0 305.256 1.793 20 50 DDGDRM C[C@H](NC(=O)[O-])[C@H]1CN(/C(=C\C#N)c2ccccc2)CCO1 ZINC000825292706 604605403 /nfs/dbraw/zinc/60/54/03/604605403.db2.gz BWWIWFFGHPNIMK-SILVGDLESA-N -1 0 301.346 1.908 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)COc1ccccc1F)c1cccnc1 ZINC000833115088 604987945 /nfs/dbraw/zinc/98/79/45/604987945.db2.gz WZFGLASLPDWXOI-CQSZACIVSA-N -1 0 319.292 1.046 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)Cn1ccc2ccccc21)c1cccnc1 ZINC000833123156 605001058 /nfs/dbraw/zinc/00/10/58/605001058.db2.gz WTVCUDVUBVAHNT-INIZCTEOSA-N -1 0 324.340 1.483 20 50 DDGDRM C[C@H](Sc1nncn1C)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833545492 605283463 /nfs/dbraw/zinc/28/34/63/605283463.db2.gz SQHIPCGBIZXZEA-QMMMGPOBSA-N -1 0 321.362 1.137 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(OCC(F)(F)F)cc1 ZINC000834201982 605384013 /nfs/dbraw/zinc/38/40/13/605384013.db2.gz OZMVTZPSAUEBKI-UHFFFAOYSA-N -1 0 319.239 1.345 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000832326227 605409261 /nfs/dbraw/zinc/40/92/61/605409261.db2.gz PPXRWDSMDHYWLZ-ONGXEEELSA-N -1 0 322.321 1.864 20 50 DDGDRM N#Cc1ccc(NNC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000833975246 605532734 /nfs/dbraw/zinc/53/27/34/605532734.db2.gz MCGXVRHHHNWLKI-GFCCVEGCSA-N -1 0 302.334 1.781 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCCCN2C(=O)[O-])c1 ZINC000833969772 605548529 /nfs/dbraw/zinc/54/85/29/605548529.db2.gz FORHBFSTTPIYBS-SECBINFHSA-N -1 0 323.740 1.582 20 50 DDGDRM Cc1nc2scc(C3CC3)n2c1C=NNC(=O)NCC(=O)[O-] ZINC000833756325 605592317 /nfs/dbraw/zinc/59/23/17/605592317.db2.gz JFYGLTJFXTZEOM-UHFFFAOYSA-N -1 0 321.362 1.299 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)COc1ccc(C)cc1 ZINC000833800975 605621052 /nfs/dbraw/zinc/62/10/52/605621052.db2.gz GDARGEWBTYZAPZ-NSHDSACASA-N -1 0 307.350 1.912 20 50 DDGDRM O=C([O-])N1CCc2cc(NC(=O)NNc3cnccn3)ccc21 ZINC000834050166 605655075 /nfs/dbraw/zinc/65/50/75/605655075.db2.gz VYTBGOHDRHQPDE-UHFFFAOYSA-N -1 0 314.305 1.666 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000834048333 605716004 /nfs/dbraw/zinc/71/60/04/605716004.db2.gz KMMWKVJLSZBILU-VIFPVBQESA-N -1 0 312.307 1.091 20 50 DDGDRM CC(C)CN1C[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)CC1=O ZINC000833488306 605734662 /nfs/dbraw/zinc/73/46/62/605734662.db2.gz MDCXXTHBRFWOBF-GFCCVEGCSA-N -1 0 319.361 1.332 20 50 DDGDRM O=C([O-])N1CC(OCC(=O)NNc2cccc3c2CCCC3)C1 ZINC000834012331 605735143 /nfs/dbraw/zinc/73/51/43/605735143.db2.gz ZOAQGIYVRFGEDX-UHFFFAOYSA-N -1 0 319.361 1.387 20 50 DDGDRM CN(CC(=O)NNc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000833692763 605738500 /nfs/dbraw/zinc/73/85/00/605738500.db2.gz VTYDXCWHNJGDTO-UHFFFAOYSA-N -1 0 323.349 1.695 20 50 DDGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cnn(C)c1 ZINC000833520887 605743731 /nfs/dbraw/zinc/74/37/31/605743731.db2.gz JTWFUUKEEQCNDS-VIFPVBQESA-N -1 0 303.322 1.506 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc2c(c(Cl)c1)OCO2 ZINC000834227563 605752285 /nfs/dbraw/zinc/75/22/85/605752285.db2.gz HXHIHOPHUMYAAF-UHFFFAOYSA-N -1 0 313.697 1.177 20 50 DDGDRM CC(=O)NCCCCCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833397342 605773127 /nfs/dbraw/zinc/77/31/27/605773127.db2.gz NZPRIORNIKQPGG-UHFFFAOYSA-N -1 0 307.350 1.524 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cc(F)cc2cccnc12 ZINC000834229000 605797848 /nfs/dbraw/zinc/79/78/48/605797848.db2.gz XAPHJQKURKPTDX-UHFFFAOYSA-N -1 0 318.308 1.872 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)Cc1cn2ccccc2n1 ZINC000834168279 605860764 /nfs/dbraw/zinc/86/07/64/605860764.db2.gz GWDCIJWOFSCHAV-NSHDSACASA-N -1 0 315.333 1.169 20 50 DDGDRM N#Cc1ccc(C(=O)NN=C[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000833973485 606051320 /nfs/dbraw/zinc/05/13/20/606051320.db2.gz PEDYKWVPAKNLGA-LBPRGKRZSA-N -1 0 300.318 1.664 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccccc1F ZINC000833118023 600733573 /nfs/dbraw/zinc/73/35/73/600733573.db2.gz DVDPOBZBMNXXLQ-OAHLLOKOSA-N -1 0 320.295 1.954 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)COc1ccccc1F)c1ccccc1 ZINC000833114718 601452831 /nfs/dbraw/zinc/45/28/31/601452831.db2.gz JFXXEAAARJLWME-OAHLLOKOSA-N -1 0 318.304 1.651 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000827303515 602068614 /nfs/dbraw/zinc/06/86/14/602068614.db2.gz GMFMDBHXMGGDBT-JTQLQIEISA-N -1 0 306.362 1.856 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NN=c2[nH]cccc2[N+](=O)[O-])C1 ZINC000833183904 602323638 /nfs/dbraw/zinc/32/36/38/602323638.db2.gz LXFDASIIZQFHSO-RKDXNWHRSA-N -1 0 308.294 1.324 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2F)C1 ZINC000832281068 603430157 /nfs/dbraw/zinc/43/01/57/603430157.db2.gz XKRUUPQYINPDHI-DTWKUNHWSA-N -1 0 309.297 1.023 20 50 DDGDRM O=C([O-])Nc1ccc(C=NNC(=O)CNc2ccccc2)cn1 ZINC000832838550 603485185 /nfs/dbraw/zinc/48/51/85/603485185.db2.gz KDXXUCSJAMNZQH-UHFFFAOYSA-N -1 0 313.317 1.734 20 50 DDGDRM Cc1ccc(CNC(=O)NNC(=O)[O-])c(OCC(F)(F)F)c1 ZINC000830316675 603531066 /nfs/dbraw/zinc/53/10/66/603531066.db2.gz BVKRWFAPMKOCEN-UHFFFAOYSA-N -1 0 321.255 1.918 20 50 DDGDRM CCC(CC)(CNC(=O)NNc1ccc(C)nn1)NC(=O)[O-] ZINC000826540986 603548841 /nfs/dbraw/zinc/54/88/41/603548841.db2.gz KURDJXFEBDBIOV-UHFFFAOYSA-N -1 0 310.358 1.238 20 50 DDGDRM CN(C)c1cccc(C(=O)NN=CC2CCN(C(=O)[O-])CC2)c1 ZINC000828073232 603855630 /nfs/dbraw/zinc/85/56/30/603855630.db2.gz HWIAECKTNYUOAQ-UHFFFAOYSA-N -1 0 318.377 1.858 20 50 DDGDRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NNC(=O)c1ccoc1 ZINC000831307585 603866682 /nfs/dbraw/zinc/86/66/82/603866682.db2.gz BVKRVNHHXJAWSO-CLYYMRHHSA-N -1 0 321.333 1.352 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)C2(NC(=O)[O-])CCCCC2)n1 ZINC000829101957 603966822 /nfs/dbraw/zinc/96/68/22/603966822.db2.gz PDHJUNZWEUDMKP-UHFFFAOYSA-N -1 0 323.353 1.207 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F ZINC000831742452 604003766 /nfs/dbraw/zinc/00/37/66/604003766.db2.gz GLALNEORTBRQEK-MRVPVSSYSA-N -1 0 303.240 1.689 20 50 DDGDRM C[C@H]1CC(=NNC(=O)NC2CCN(C(=O)[O-])CC2)CN1C1CC1 ZINC000825779479 604009653 /nfs/dbraw/zinc/00/96/53/604009653.db2.gz ZZWAPZMZYRUFCI-JTQLQIEISA-N -1 0 323.397 1.041 20 50 DDGDRM CN(CCNC(=O)NNc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000828324822 604034753 /nfs/dbraw/zinc/03/47/53/604034753.db2.gz XIPCWDBPYAJCGL-UHFFFAOYSA-N -1 0 306.244 1.340 20 50 DDGDRM CC(=NNC(=O)Cc1cc(C)[nH]n1)[C@@H]1CCCCN1C(=O)[O-] ZINC000823527121 604087323 /nfs/dbraw/zinc/08/73/23/604087323.db2.gz HCDDJTRQENXVSD-LBPRGKRZSA-N -1 0 307.354 1.285 20 50 DDGDRM N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000831066143 604105739 /nfs/dbraw/zinc/10/57/39/604105739.db2.gz VDYMGZIQECTIAQ-ALFJJAPYSA-N -1 0 316.313 1.842 20 50 DDGDRM C[C@H](CNS(=O)(=O)c1ccc(CCCl)cc1)C(=O)[O-] ZINC000827508010 604410521 /nfs/dbraw/zinc/41/05/21/604410521.db2.gz SKEZNUPAABQSBE-SECBINFHSA-N -1 0 305.783 1.467 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1F ZINC000833093311 604966304 /nfs/dbraw/zinc/96/63/04/604966304.db2.gz ASNXNMDTHWDQRH-UHFFFAOYSA-N -1 0 308.309 1.865 20 50 DDGDRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NNC(=O)[O-] ZINC000824527759 605188003 /nfs/dbraw/zinc/18/80/03/605188003.db2.gz BEEMDQKHGANMSA-UHFFFAOYSA-N -1 0 303.322 1.802 20 50 DDGDRM CC[C@H](C(=O)NNc1ccccc1C(=O)[O-])N1CCCC1=O ZINC000833636217 605260957 /nfs/dbraw/zinc/26/09/57/605260957.db2.gz LTVTYAUPFSERTH-GFCCVEGCSA-N -1 0 305.334 1.229 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CCCOc2ccc(Cl)cc21 ZINC000834199882 605386284 /nfs/dbraw/zinc/38/62/84/605386284.db2.gz RNQAZDWJXZDFHQ-UHFFFAOYSA-N -1 0 311.725 1.601 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000830225155 605509977 /nfs/dbraw/zinc/50/99/77/605509977.db2.gz GQHNQIFYGVOXFD-GFCCVEGCSA-N -1 0 305.334 1.146 20 50 DDGDRM O=C([O-])Nc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1 ZINC000834263782 605580974 /nfs/dbraw/zinc/58/09/74/605580974.db2.gz YBQURMKMGFXOQJ-UHFFFAOYSA-N -1 0 314.301 1.858 20 50 DDGDRM CC(C)(C)OC(=O)c1cccc(C=NNC(=O)NCC(=O)[O-])c1 ZINC000833444513 605587998 /nfs/dbraw/zinc/58/79/98/605587998.db2.gz WUPANALREPYSCU-UHFFFAOYSA-N -1 0 321.333 1.360 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)NC1CCCCC1)C1CC1 ZINC000834127193 605600717 /nfs/dbraw/zinc/60/07/17/605600717.db2.gz ONLRUTZKXXSILQ-NSHDSACASA-N -1 0 312.370 1.086 20 50 DDGDRM Cc1cc(NNC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])ncn1 ZINC000830122754 605611681 /nfs/dbraw/zinc/61/16/81/605611681.db2.gz PCYUTCUEGMJRIF-NWDGAFQWSA-N -1 0 321.381 1.835 20 50 DDGDRM N#Cc1cccc(NNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000833976253 605715419 /nfs/dbraw/zinc/71/54/19/605715419.db2.gz KTNIUVKGXYMRSL-VXGBXAGGSA-N -1 0 302.334 1.828 20 50 DDGDRM C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(Br)cc1F ZINC000833894820 605719794 /nfs/dbraw/zinc/71/97/94/605719794.db2.gz HRYWYMNYSCMGAH-RXMQYKEDSA-N -1 0 320.118 1.687 20 50 DDGDRM C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833536680 605721991 /nfs/dbraw/zinc/72/19/91/605721991.db2.gz UETVCGADRWEGGD-VXGBXAGGSA-N -1 0 322.361 1.802 20 50 DDGDRM CCc1[nH]c(C(=O)NN=c2cccc(OC)[nH]2)c(C)c1C(=O)[O-] ZINC000833669868 605726580 /nfs/dbraw/zinc/72/65/80/605726580.db2.gz XRPQRCCYMRWEQR-UHFFFAOYSA-N -1 0 318.333 1.744 20 50 DDGDRM O=C([O-])NCCOCC(=O)NNc1cccc2c1CCCC2 ZINC000834242012 605736311 /nfs/dbraw/zinc/73/63/11/605736311.db2.gz CLWXDIHGTWRRLT-UHFFFAOYSA-N -1 0 307.350 1.293 20 50 DDGDRM C[C@@H](Sc1nncn1C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833544971 605771461 /nfs/dbraw/zinc/77/14/61/605771461.db2.gz LKQPFTITORMUGT-MRVPVSSYSA-N -1 0 321.362 1.137 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)NCC2CC2)ccc1NC(=O)[O-] ZINC000829961237 605809800 /nfs/dbraw/zinc/80/98/00/605809800.db2.gz DJSKAYIJPHRILY-UHFFFAOYSA-N -1 0 306.322 1.439 20 50 DDGDRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NNc1ccnc(F)c1 ZINC000834151423 605876051 /nfs/dbraw/zinc/87/60/51/605876051.db2.gz VOGDFDPISJQHIB-LBPRGKRZSA-N -1 0 318.308 1.543 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc2ncsc2c1 ZINC000834230401 605975093 /nfs/dbraw/zinc/97/50/93/605975093.db2.gz YMWFDSXNEGLVAG-UHFFFAOYSA-N -1 0 322.346 1.105 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccnc2ccccc21 ZINC000834230133 605977421 /nfs/dbraw/zinc/97/74/21/605977421.db2.gz SDLVBOHCFRTLFO-UHFFFAOYSA-N -1 0 316.317 1.044 20 50 DDGDRM O=C([O-])N1CCC(NC(=O)NN=Cc2cc(F)ccc2O)CC1 ZINC000834045762 606054076 /nfs/dbraw/zinc/05/40/76/606054076.db2.gz UEWMKABIJRYVIC-UHFFFAOYSA-N -1 0 324.312 1.307 20 50 DDGDRM Cc1ncsc1C(=O)NN=Cc1ccc(NC(=O)[O-])nc1 ZINC000830829426 603486765 /nfs/dbraw/zinc/48/67/65/603486765.db2.gz KJGZCXZATOEYBI-UHFFFAOYSA-N -1 0 305.319 1.700 20 50 DDGDRM O=C([O-])Nc1ccc(C=NNC(=O)CCc2ccco2)cn1 ZINC000832839292 603487659 /nfs/dbraw/zinc/48/76/59/603487659.db2.gz UHDXRXRWAGRTSM-UHFFFAOYSA-N -1 0 302.290 1.847 20 50 DDGDRM CCC1(C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)CCC1 ZINC000826639501 603538287 /nfs/dbraw/zinc/53/82/87/603538287.db2.gz NKDXBRXSMCUMAC-UHFFFAOYSA-N -1 0 312.370 1.040 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1cnnc2ccccc21)CC1CC1 ZINC000831464200 603619779 /nfs/dbraw/zinc/61/97/79/603619779.db2.gz NSRBWYQMMUCKIQ-UHFFFAOYSA-N -1 0 315.333 1.463 20 50 DDGDRM Cc1nc(N)sc1C(=O)NN=CC1CCN(C(=O)[O-])CC1 ZINC000830764925 603858012 /nfs/dbraw/zinc/85/80/12/603858012.db2.gz OJRSPDYGDDXUBZ-UHFFFAOYSA-N -1 0 311.367 1.139 20 50 DDGDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NN=c1cccc[nH]1 ZINC000832515664 603863110 /nfs/dbraw/zinc/86/31/10/603863110.db2.gz RJLHRFLKWNUHAS-QWRGUYRKSA-N -1 0 307.354 1.534 20 50 DDGDRM CSCC[C@H](NC(=O)[O-])C(=O)NNc1cccnc1Cl ZINC000829729497 604105547 /nfs/dbraw/zinc/10/55/47/604105547.db2.gz GBRNJACTLNEDEP-QMMMGPOBSA-N -1 0 318.786 1.567 20 50 DDGDRM CC[C@@H](CNC(=O)NNC(=O)[O-])Oc1ccccc1Cl ZINC000826586639 604144091 /nfs/dbraw/zinc/14/40/91/604144091.db2.gz DUUBVHXAFYZIOG-QMMMGPOBSA-N -1 0 301.730 1.979 20 50 DDGDRM CSCC[C@H](NC(=O)[O-])C(=O)NNc1cc(C)ccc1F ZINC000829730214 604413383 /nfs/dbraw/zinc/41/33/83/604413383.db2.gz LIXKVDAKJFOHAZ-JTQLQIEISA-N -1 0 315.370 1.967 20 50 DDGDRM CCOC(=O)NNC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000827329239 604640732 /nfs/dbraw/zinc/64/07/32/604640732.db2.gz VIFYFMXGNWQHQL-VIFPVBQESA-N -1 0 301.343 1.180 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1F ZINC000833149599 604807167 /nfs/dbraw/zinc/80/71/67/604807167.db2.gz VVULOUSNWVBKMI-UHFFFAOYSA-N -1 0 323.324 1.801 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cccc(OCC(F)(F)F)c1 ZINC000834201276 605387295 /nfs/dbraw/zinc/38/72/95/605387295.db2.gz IFMAOEGEWYNBJH-UHFFFAOYSA-N -1 0 319.239 1.345 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)Nc1cccc2ccccc21 ZINC000834204328 605407122 /nfs/dbraw/zinc/40/71/22/605407122.db2.gz AGXDTORAQCPNOG-UHFFFAOYSA-N -1 0 302.290 1.260 20 50 DDGDRM N#Cc1cccc(NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])c1 ZINC000833977240 605715562 /nfs/dbraw/zinc/71/55/62/605715562.db2.gz WTCJSWDHPLSBLF-CYBMUJFWSA-N -1 0 318.333 1.160 20 50 DDGDRM CC(=O)N1CCC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833390753 605734085 /nfs/dbraw/zinc/73/40/85/605734085.db2.gz BHZMFKJLONPJLB-LBPRGKRZSA-N -1 0 305.334 1.086 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCN(CC(F)(F)F)CC1 ZINC000834229459 605800401 /nfs/dbraw/zinc/80/04/01/605800401.db2.gz JEMNOJUAVSRPLS-UHFFFAOYSA-N -1 0 324.303 1.165 20 50 DDGDRM O=C([O-])Nc1ncccc1C=NNC(=O)c1ccc(Cl)nc1 ZINC000834282858 605955723 /nfs/dbraw/zinc/95/57/23/605955723.db2.gz HKTHVYDQZPWUEJ-UHFFFAOYSA-N -1 0 319.708 1.984 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000834001528 605960895 /nfs/dbraw/zinc/96/08/95/605960895.db2.gz MRXTZURMRFWUMS-UHFFFAOYSA-N -1 0 311.725 1.243 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000831972835 601108249 /nfs/dbraw/zinc/10/82/49/601108249.db2.gz RUBWAVNYMQMOEY-NXEZZACHSA-N -1 0 308.338 1.128 20 50 DDGDRM COC(=O)c1sc(NC=C(C#N)C#N)c(C#N)c1CC(=O)[O-] ZINC000831479883 601351254 /nfs/dbraw/zinc/35/12/54/601351254.db2.gz XDJOKWLQZYEINH-UHFFFAOYSA-N -1 0 316.298 1.376 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000832976975 601410126 /nfs/dbraw/zinc/41/01/26/601410126.db2.gz LBIBZJCEBZHIOA-UHFFFAOYSA-N -1 0 319.361 1.584 20 50 DDGDRM Cn1c2ccccc2sc1=NNC(=O)NCC(C)(C)C(=O)[O-] ZINC000833037731 601684538 /nfs/dbraw/zinc/68/45/38/601684538.db2.gz QDAHXIUVDFNDDI-UHFFFAOYSA-N -1 0 322.390 1.466 20 50 DDGDRM CC[C@H](C(=O)NNC(=O)NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000828587629 601686775 /nfs/dbraw/zinc/68/67/75/601686775.db2.gz VQVGHWJSTWMCLO-LBPRGKRZSA-N -1 0 321.377 1.621 20 50 DDGDRM COc1cc(OC)cc([C@H](NNC(=O)CCC(C)C)C(=O)[O-])c1 ZINC000832067973 602170467 /nfs/dbraw/zinc/17/04/67/602170467.db2.gz UMMFSFUKERPZQM-HNNXBMFYSA-N -1 0 324.377 1.887 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NN=c2[nH]cccc2[N+](=O)[O-])C1 ZINC000833183901 602323758 /nfs/dbraw/zinc/32/37/58/602323758.db2.gz LXFDASIIZQFHSO-BDAKNGLRSA-N -1 0 308.294 1.324 20 50 DDGDRM C[C@@H](C(=O)NN=c1nccc[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702091 603293522 /nfs/dbraw/zinc/29/35/22/603293522.db2.gz JEDKDPKYLZKBTL-PWSUYJOCSA-N -1 0 315.333 1.565 20 50 DDGDRM C[C@H](C(=O)NNC(=O)C(C)(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823701152 603338521 /nfs/dbraw/zinc/33/85/21/603338521.db2.gz AHXHJAUGUILTQA-CMPLNLGQSA-N -1 0 321.377 1.825 20 50 DDGDRM CC(C[C@H]1CCOC1)=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000824767536 603578763 /nfs/dbraw/zinc/57/87/63/603578763.db2.gz JESLSKIJCSDFRM-LLVKDONJSA-N -1 0 312.370 1.231 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNC(=O)CCC1CCCCC1 ZINC000823964799 603655852 /nfs/dbraw/zinc/65/58/52/603655852.db2.gz NRSGIMYCZZKLHH-UHFFFAOYSA-N -1 0 313.398 1.788 20 50 DDGDRM Cc1ccc(NNC(=O)N[C@H](CNC(=O)[O-])CC(C)C)nn1 ZINC000830395620 603667294 /nfs/dbraw/zinc/66/72/94/603667294.db2.gz IKRKRFYZTHQPLB-JTQLQIEISA-N -1 0 310.358 1.093 20 50 DDGDRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(F)cn1 ZINC000832473967 603858286 /nfs/dbraw/zinc/85/82/86/603858286.db2.gz GCZCNGQHRWBJFO-WPRPVWTQSA-N -1 0 311.317 1.283 20 50 DDGDRM C[C@@]1(C(=O)NNc2cc(F)c(F)cc2F)CCN(C(=O)[O-])C1 ZINC000825673375 604062858 /nfs/dbraw/zinc/06/28/58/604062858.db2.gz PUCOIGZSECUDIT-CYBMUJFWSA-N -1 0 317.267 1.937 20 50 DDGDRM CCN(CC)c1cc[nH]c(=NNC(=O)C(C)(C)CNC(=O)[O-])n1 ZINC000827052602 604272223 /nfs/dbraw/zinc/27/22/23/604272223.db2.gz VPOBTYSMMGGUCW-UHFFFAOYSA-N -1 0 324.385 1.060 20 50 DDGDRM O=C(CC1CCN(C(=O)[O-])CC1)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000831349681 604313003 /nfs/dbraw/zinc/31/30/03/604313003.db2.gz GZNVRPYEJMQTJF-UHFFFAOYSA-N -1 0 323.309 1.213 20 50 DDGDRM O=C([O-])NNC(=O)Cc1cccc(I)c1 ZINC000832748388 604418413 /nfs/dbraw/zinc/41/84/13/604418413.db2.gz IWAASYJQINDYPK-UHFFFAOYSA-N -1 0 320.086 1.133 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830567765 604497069 /nfs/dbraw/zinc/49/70/69/604497069.db2.gz ULIGTIYARBDYSP-CYBMUJFWSA-N -1 0 319.361 1.075 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)CCCc1ccccc1)c1cccnc1 ZINC000833098590 604999832 /nfs/dbraw/zinc/99/98/32/604999832.db2.gz YBPCKYPCAUGNOD-MRXNPFEDSA-N -1 0 313.357 1.851 20 50 DDGDRM C[C@@]1(NS(=O)(=O)CBr)CCCC[C@H]1C(=O)[O-] ZINC000833571469 605210864 /nfs/dbraw/zinc/21/08/64/605210864.db2.gz ZVSRNOUOSAKXBC-IONNQARKSA-N -1 0 314.201 1.292 20 50 DDGDRM Cn1nnc2cc(C(=O)NNc3ccccc3C(=O)[O-])ccc21 ZINC000833759735 605259383 /nfs/dbraw/zinc/25/93/83/605259383.db2.gz URULWXMIDWFAMZ-UHFFFAOYSA-N -1 0 311.301 1.423 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000833969773 605545268 /nfs/dbraw/zinc/54/52/68/605545268.db2.gz FORHBFSTTPIYBS-VIFPVBQESA-N -1 0 323.740 1.582 20 50 DDGDRM N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000833960304 605642113 /nfs/dbraw/zinc/64/21/13/605642113.db2.gz HUBRMLGPJOHVCJ-XFXZXTDPSA-N -1 0 317.320 1.991 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccc(C(F)(F)F)cc2)CC1 ZINC000834150357 605665288 /nfs/dbraw/zinc/66/52/88/605665288.db2.gz APFFIMRCHNARBD-UHFFFAOYSA-N -1 0 303.240 1.949 20 50 DDGDRM N#Cc1cccc(NNC(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000833976487 605716919 /nfs/dbraw/zinc/71/69/19/605716919.db2.gz NMCYSVVXWDNISI-UHFFFAOYSA-N -1 0 302.334 1.828 20 50 DDGDRM CC(C)[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)N1CCCC1=O ZINC000833464726 605732431 /nfs/dbraw/zinc/73/24/31/605732431.db2.gz CGPXFPHJQFUTDO-CQSZACIVSA-N -1 0 319.361 1.475 20 50 DDGDRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NNc1cccc2c1CCCC2 ZINC000834048017 605735580 /nfs/dbraw/zinc/73/55/80/605735580.db2.gz IRZOREWWSGZZHC-SMDDNHRTSA-N -1 0 319.361 1.122 20 50 DDGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@H]1CCCOC1 ZINC000833520467 605748270 /nfs/dbraw/zinc/74/82/70/605748270.db2.gz CQPNKKJAHBEDTI-JQWIXIFHSA-N -1 0 307.350 1.826 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000834227898 605750161 /nfs/dbraw/zinc/75/01/61/605750161.db2.gz QSQLPJQZQLUTKC-FLQIUQCSSA-N -1 0 306.278 1.368 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccccc1C(F)(F)F ZINC000834227653 605752509 /nfs/dbraw/zinc/75/25/09/605752509.db2.gz YWKLIMBVVAMLRT-UHFFFAOYSA-N -1 0 303.240 1.813 20 50 DDGDRM CC(=O)N[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000833395073 605772904 /nfs/dbraw/zinc/77/29/04/605772904.db2.gz KUKAZCXXBKJAPO-CQSZACIVSA-N -1 0 319.361 1.523 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000834230241 605978115 /nfs/dbraw/zinc/97/81/15/605978115.db2.gz AVYOZKDRFKCSTJ-NEPJUHHUSA-N -1 0 323.324 1.124 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1ccoc1 ZINC000833832473 606026394 /nfs/dbraw/zinc/02/63/94/606026394.db2.gz WIWBQAIADRHBNJ-YGRLFVJLSA-N -1 0 309.322 1.257 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)CNc2ccccc2)C1 ZINC000834005925 606046290 /nfs/dbraw/zinc/04/62/90/606046290.db2.gz JBWIBYUZOLFHRL-LBPRGKRZSA-N -1 0 304.350 1.591 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833788866 606046391 /nfs/dbraw/zinc/04/63/91/606046391.db2.gz FHODXTVGHFWCPH-UHFFFAOYSA-N -1 0 313.398 1.740 20 50 DDGDRM N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833072730 600916573 /nfs/dbraw/zinc/91/65/73/600916573.db2.gz YEPYCPGGDXEXSV-CHWSQXEVSA-N -1 0 315.329 1.210 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNc2cnnc3ccccc32)C1 ZINC000833184342 601210933 /nfs/dbraw/zinc/21/09/33/601210933.db2.gz QBQMXDBYJKOEAH-WDEREUQCSA-N -1 0 314.345 1.964 20 50 DDGDRM Cc1ccccc1C(=O)NN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832976839 601298437 /nfs/dbraw/zinc/29/84/37/601298437.db2.gz GHHWJADHWLYVCW-HNNXBMFYSA-N -1 0 309.325 1.927 20 50 DDGDRM Cc1cc[nH]c(=NNC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000832983979 601799546 /nfs/dbraw/zinc/79/95/46/601799546.db2.gz KWEYDASUTHECSF-UHFFFAOYSA-N -1 0 301.302 1.610 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc2ccccc2n1 ZINC000827303979 602064498 /nfs/dbraw/zinc/06/44/98/602064498.db2.gz MWHQTTADPISTPK-VIFPVBQESA-N -1 0 301.302 1.107 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000830585822 603446779 /nfs/dbraw/zinc/44/67/79/603446779.db2.gz FIIMHSPDAICQTM-UHFFFAOYSA-N -1 0 323.353 1.377 20 50 DDGDRM O=C([O-])N1CC(OCC(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000831537384 603475230 /nfs/dbraw/zinc/47/52/30/603475230.db2.gz ASAUAJJCTHAJCZ-UHFFFAOYSA-N -1 0 317.704 1.301 20 50 DDGDRM Cc1cccc(NC(=S)NNC(=O)[C@@H](C)CN(C)C(=O)[O-])c1 ZINC000830523042 603539756 /nfs/dbraw/zinc/53/97/56/603539756.db2.gz XGCRVOYUNHNLQD-JTQLQIEISA-N -1 0 324.406 1.559 20 50 DDGDRM C[C@@H](C(=O)NNc1cnccn1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823704811 603620317 /nfs/dbraw/zinc/62/03/17/603620317.db2.gz UCFWYZCLCUELMG-MFKMUULPSA-N -1 0 315.333 1.565 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNc2c(F)c(F)nc(F)c2F)C1 ZINC000831366295 603633471 /nfs/dbraw/zinc/63/34/71/603633471.db2.gz GIDCZPWLBPSRRP-UHFFFAOYSA-N -1 0 322.218 1.081 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)CN(CC2CC2)C(=O)[O-])n1 ZINC000830764556 603919825 /nfs/dbraw/zinc/91/98/25/603919825.db2.gz LFHMNGKTTVRXQE-UHFFFAOYSA-N -1 0 313.745 1.272 20 50 DDGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829226262 603965478 /nfs/dbraw/zinc/96/54/78/603965478.db2.gz XGRDJBIHJCVJJS-RKDXNWHRSA-N -1 0 324.289 1.945 20 50 DDGDRM O=C([O-])N(CCCNC(=O)NNc1ccc(F)cn1)C1CC1 ZINC000831671684 603999326 /nfs/dbraw/zinc/99/93/26/603999326.db2.gz FQGBZDXDIUEIDD-UHFFFAOYSA-N -1 0 311.317 1.379 20 50 DDGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000824135386 604005254 /nfs/dbraw/zinc/00/52/54/604005254.db2.gz FHJTUDUBYJJZJE-SNVBAGLBSA-N -1 0 319.321 1.071 20 50 DDGDRM O=C([O-])NC[C@@H](NC(=O)NNc1cccc(F)c1F)C1CC1 ZINC000832427029 604153890 /nfs/dbraw/zinc/15/38/90/604153890.db2.gz FIPJQPIVGFRTIZ-SNVBAGLBSA-N -1 0 314.292 1.637 20 50 DDGDRM CCN(CC)c1cc[nH]c(=NNC(=O)[C@@H](NC(=O)[O-])C(C)C)n1 ZINC000827052455 604272247 /nfs/dbraw/zinc/27/22/47/604272247.db2.gz SKWQQGMHEILWLK-NSHDSACASA-N -1 0 324.385 1.058 20 50 DDGDRM CC(C)(CCC(=O)NN=c1[nH]cccc1[N+](=O)[O-])NC(=O)[O-] ZINC000823890729 604312022 /nfs/dbraw/zinc/31/20/22/604312022.db2.gz ZWOSCBLKNOHDMU-UHFFFAOYSA-N -1 0 311.298 1.259 20 50 DDGDRM O=C([O-])NC1(CC(=O)NN=c2[nH]cccc2[N+](=O)[O-])CCC1 ZINC000832206133 604313319 /nfs/dbraw/zinc/31/33/19/604313319.db2.gz CSVUQTUYSTWKFF-UHFFFAOYSA-N -1 0 309.282 1.013 20 50 DDGDRM CCC[C@@](C)(NC(=O)[O-])C(=O)NNC(=O)Cc1ccccc1C ZINC000826720361 604494467 /nfs/dbraw/zinc/49/44/67/604494467.db2.gz HZGBQQAHQYNTPA-MRXNPFEDSA-N -1 0 321.377 1.511 20 50 DDGDRM CCc1ccc(-c2noc([C@H](C)NC(=O)NNC(=O)[O-])n2)cc1 ZINC000827570428 604822859 /nfs/dbraw/zinc/82/28/59/604822859.db2.gz SDWVFXJKWKLYPT-QMMMGPOBSA-N -1 0 319.321 1.842 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNC(=O)CC2CCCC2)c1 ZINC000833765818 604883050 /nfs/dbraw/zinc/88/30/50/604883050.db2.gz OWDBORALWKBOFG-UHFFFAOYSA-N -1 0 304.346 1.655 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)COCc1ccccc1 ZINC000833454203 605108297 /nfs/dbraw/zinc/10/82/97/605108297.db2.gz FXFSBEDTIYMBSM-UHFFFAOYSA-N -1 0 322.361 1.242 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000833670552 605221866 /nfs/dbraw/zinc/22/18/66/605221866.db2.gz ZSXJMYVDEBLJME-UHFFFAOYSA-N -1 0 313.313 1.417 20 50 DDGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000833469661 605321131 /nfs/dbraw/zinc/32/11/31/605321131.db2.gz XWPZLCLHDUVPMU-ZDUSSCGKSA-N -1 0 302.334 1.970 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1nc(-c2ccccc2)cs1 ZINC000834200931 605384512 /nfs/dbraw/zinc/38/45/12/605384512.db2.gz DDWCRKFYKCZLEX-UHFFFAOYSA-N -1 0 304.331 1.528 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000834200025 605386107 /nfs/dbraw/zinc/38/61/07/605386107.db2.gz VIYGMQXBYDSSEE-UHFFFAOYSA-N -1 0 321.724 1.448 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)CC2(NC(=O)[O-])CCC2)c1 ZINC000833969718 605517298 /nfs/dbraw/zinc/51/72/98/605517298.db2.gz DEJJUTDHCYETHZ-UHFFFAOYSA-N -1 0 323.740 1.630 20 50 DDGDRM N#CCCCOc1cccc(C=NNC(=O)NCC(=O)[O-])c1 ZINC000833760176 605588914 /nfs/dbraw/zinc/58/89/14/605588914.db2.gz JGMABAGDCVUEON-UHFFFAOYSA-N -1 0 304.306 1.087 20 50 DDGDRM O=C([O-])NC1CCN(CC(=O)NNc2ccc(F)cc2)CC1 ZINC000832386547 605609640 /nfs/dbraw/zinc/60/96/40/605609640.db2.gz FWRDEOXEQOMZMH-UHFFFAOYSA-N -1 0 310.329 1.001 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)COc1ccc(F)cc1 ZINC000833801908 605622232 /nfs/dbraw/zinc/62/22/32/605622232.db2.gz NJMOPMHPHBZLQH-VIFPVBQESA-N -1 0 311.313 1.743 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNc1cccnn1)c1ccccc1 ZINC000834125311 605632024 /nfs/dbraw/zinc/63/20/24/605632024.db2.gz CVVSJNBOYIJEOY-LLVKDONJSA-N -1 0 301.306 1.319 20 50 DDGDRM N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000833960398 605650599 /nfs/dbraw/zinc/65/05/99/605650599.db2.gz JTOYEIJXQXTANG-RAXLEYEMSA-N -1 0 317.320 1.945 20 50 DDGDRM CCCCNC(=O)NNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000826842693 605667413 /nfs/dbraw/zinc/66/74/13/605667413.db2.gz UAGJOINIGDPBSZ-UHFFFAOYSA-N -1 0 308.338 1.302 20 50 DDGDRM O=C([O-])N1CC(CNC(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000834035195 605771378 /nfs/dbraw/zinc/77/13/78/605771378.db2.gz JSAAAQSAEUEINA-UHFFFAOYSA-N -1 0 316.720 1.715 20 50 DDGDRM N#CCOc1cccc(C=NNC(=O)CCCNC(=O)[O-])c1 ZINC000833967607 605798864 /nfs/dbraw/zinc/79/88/64/605798864.db2.gz SKRMXSIOSLRAEM-UHFFFAOYSA-N -1 0 304.306 1.087 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCCOc2ccccc21 ZINC000834230445 605798872 /nfs/dbraw/zinc/79/88/72/605798872.db2.gz VBVFOOLXLNKPNG-UHFFFAOYSA-N -1 0 305.334 1.727 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cnc2ccccc2n1 ZINC000834228279 605799682 /nfs/dbraw/zinc/79/96/82/605799682.db2.gz DKZVSCLMYDLFBP-UHFFFAOYSA-N -1 0 301.306 1.128 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C[C@H]1CCc2ccccc21 ZINC000834230770 605976480 /nfs/dbraw/zinc/97/64/80/605976480.db2.gz ICUZZBJVWPMDKW-GFCCVEGCSA-N -1 0 319.361 1.302 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C[C@@H]1CCc2ccccc21 ZINC000834230777 605976501 /nfs/dbraw/zinc/97/65/01/605976501.db2.gz ICUZZBJVWPMDKW-LBPRGKRZSA-N -1 0 319.361 1.302 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)C/C=C/c1cccc(F)c1 ZINC000834231866 605978358 /nfs/dbraw/zinc/97/83/58/605978358.db2.gz SWRXZFPAZOJAER-GORDUTHDSA-N -1 0 323.324 1.424 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1coc2ccccc12 ZINC000834230091 605979248 /nfs/dbraw/zinc/97/92/48/605979248.db2.gz QAWUEWQJRMJATI-UHFFFAOYSA-N -1 0 305.290 1.242 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc(Cl)cc2c1OCC2 ZINC000834227980 605992987 /nfs/dbraw/zinc/99/29/87/605992987.db2.gz VOEWNKCOWIYSMC-UHFFFAOYSA-N -1 0 311.725 1.383 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2O)C1 ZINC000833149170 601209071 /nfs/dbraw/zinc/20/90/71/601209071.db2.gz HDHMNVOSXHBHKX-NXEZZACHSA-N -1 0 306.318 1.044 20 50 DDGDRM CC[C@@H](C(=O)NNC(=O)NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000828587624 601686695 /nfs/dbraw/zinc/68/66/95/601686695.db2.gz VQVGHWJSTWMCLO-GFCCVEGCSA-N -1 0 321.377 1.621 20 50 DDGDRM CC(C)(C)OC(=O)NC[C@@H](C(=O)NNC(=O)[O-])c1ccccc1 ZINC000823817860 603217513 /nfs/dbraw/zinc/21/75/13/603217513.db2.gz RQDIGYAJWABXHP-LLVKDONJSA-N -1 0 323.349 1.594 20 50 DDGDRM C[C@@H](C(=O)NN=c1nccc[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702093 603293603 /nfs/dbraw/zinc/29/36/03/603293603.db2.gz JEDKDPKYLZKBTL-ZYHUDNBSSA-N -1 0 315.333 1.565 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1 ZINC000832277959 603544533 /nfs/dbraw/zinc/54/45/33/603544533.db2.gz LLJDWKUEIBHFTO-STQMWFEESA-N -1 0 319.361 1.203 20 50 DDGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)C(C)(C)C ZINC000824195718 603661066 /nfs/dbraw/zinc/66/10/66/603661066.db2.gz BVTRJRDNIBMBIH-VIFPVBQESA-N -1 0 302.375 1.045 20 50 DDGDRM COCCNC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2 ZINC000828993147 603809325 /nfs/dbraw/zinc/80/93/25/603809325.db2.gz XWDNSQYSWZCSBS-LCYFTJDESA-N -1 0 315.329 1.397 20 50 DDGDRM CC(=NNC(=O)NCCNC(=O)[O-])c1ccc2ccccc2n1 ZINC000823528954 603824419 /nfs/dbraw/zinc/82/44/19/603824419.db2.gz ZGKCQIHTLBUNRO-UHFFFAOYSA-N -1 0 315.333 1.526 20 50 DDGDRM COc1ccc(NNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000829484615 604222337 /nfs/dbraw/zinc/22/23/37/604222337.db2.gz VHPNXCSBYACDIA-ZYHUDNBSSA-N -1 0 307.350 1.965 20 50 DDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NN=c1nc(C)cc(C)[nH]1 ZINC000832880745 604274886 /nfs/dbraw/zinc/27/48/86/604274886.db2.gz VFYNLBBTQUHALH-UHFFFAOYSA-N -1 0 303.322 1.493 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672140 604307079 /nfs/dbraw/zinc/30/70/79/604307079.db2.gz RUFAOITYLMHPQL-GHMZBOCLSA-N -1 0 313.398 1.596 20 50 DDGDRM CN(C)c1ccc(-c2cncc(C(=O)NNC(=O)[O-])c2)cc1 ZINC000828056338 604417961 /nfs/dbraw/zinc/41/79/61/604417961.db2.gz PJOFZSVGCCNRCE-UHFFFAOYSA-N -1 0 300.318 1.727 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NN=c2nc[nH]c3ccsc32)cn1 ZINC000833148884 604425436 /nfs/dbraw/zinc/42/54/36/604425436.db2.gz SRNIWNYYLQFHIB-UHFFFAOYSA-N -1 0 315.314 1.541 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830566778 604497079 /nfs/dbraw/zinc/49/70/79/604497079.db2.gz GJDREPVZXDPYIM-STQMWFEESA-N -1 0 319.361 1.121 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1cc2c(s1)CCC2)c1cccnc1 ZINC000833149690 604988602 /nfs/dbraw/zinc/98/86/02/604988602.db2.gz YXAKJYBWIMNGHC-CYBMUJFWSA-N -1 0 317.370 1.692 20 50 DDGDRM CC(=NNC(=O)c1ccccn1)c1ccccc1OCC(=O)[O-] ZINC000833384027 605323637 /nfs/dbraw/zinc/32/36/37/605323637.db2.gz ADTVXOLGISSUCZ-UHFFFAOYSA-N -1 0 313.313 1.699 20 50 DDGDRM Cc1cc[nH]c(=NNC(=O)C[C@@H]2CSCCN2C(=O)[O-])c1 ZINC000830611385 605326522 /nfs/dbraw/zinc/32/65/22/605326522.db2.gz JOUGMCZKWLBSAX-SNVBAGLBSA-N -1 0 310.379 1.319 20 50 DDGDRM O=C([O-])NNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000834250639 605387529 /nfs/dbraw/zinc/38/75/29/605387529.db2.gz LOQMEJSXBOBXCC-ZETCQYMHSA-N -1 0 301.096 1.224 20 50 DDGDRM CC(C)CCOc1ccc(C=NNC(=O)CNC(=O)[O-])cc1 ZINC000833795514 605388308 /nfs/dbraw/zinc/38/83/08/605388308.db2.gz XZTLNYUQZFIMHV-UHFFFAOYSA-N -1 0 307.350 1.829 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cc(F)ccc1Br ZINC000834202256 605390210 /nfs/dbraw/zinc/39/02/10/605390210.db2.gz SKOOUGXNIKPBNU-UHFFFAOYSA-N -1 0 318.102 1.306 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccncc1Cl)c1ccccc1 ZINC000831450447 605396170 /nfs/dbraw/zinc/39/61/70/605396170.db2.gz AHSMPRHNQHDTKA-UHFFFAOYSA-N -1 0 320.736 1.785 20 50 DDGDRM N#C/C(=C/c1ccc(O)cc1)C(=O)OC1CCN(C(=O)[O-])CC1 ZINC000833961800 605417525 /nfs/dbraw/zinc/41/75/25/605417525.db2.gz XJNZVRKFWYEHSS-XFXZXTDPSA-N -1 0 316.313 1.985 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000830225156 605510158 /nfs/dbraw/zinc/51/01/58/605510158.db2.gz GQHNQIFYGVOXFD-LBPRGKRZSA-N -1 0 305.334 1.146 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(F)cc1OC(F)F ZINC000833384822 605590003 /nfs/dbraw/zinc/59/00/03/605590003.db2.gz NCNGRABFJQFLBX-UHFFFAOYSA-N -1 0 319.239 1.535 20 50 DDGDRM CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NNC(=O)[O-] ZINC000823809460 605600796 /nfs/dbraw/zinc/60/07/96/605600796.db2.gz LRAGFCIWQBDONX-MRVPVSSYSA-N -1 0 319.383 1.028 20 50 DDGDRM O=C([O-])NNC(=O)Nc1cccc(I)c1 ZINC000834251583 605678093 /nfs/dbraw/zinc/67/80/93/605678093.db2.gz YFJYRMFJSSWOLG-UHFFFAOYSA-N -1 0 321.074 1.595 20 50 DDGDRM O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1ccccc1F ZINC000833989004 605716744 /nfs/dbraw/zinc/71/67/44/605716744.db2.gz SAEIFWFCKPOPFA-VIFPVBQESA-N -1 0 313.354 1.754 20 50 DDGDRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)c1cnccn1 ZINC000834044199 605722649 /nfs/dbraw/zinc/72/26/49/605722649.db2.gz BDMNBYDQOYLMCD-MFKMUULPSA-N -1 0 317.349 1.505 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000834174122 605740296 /nfs/dbraw/zinc/74/02/96/605740296.db2.gz UPQWULFLODTORH-GMSGAONNSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C(Cc1ccco1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826423904 608574983 /nfs/dbraw/zinc/57/49/83/608574983.db2.gz MFVIECOJEMAAES-UHFFFAOYSA-N -1 0 319.712 1.194 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cncs1 ZINC000826445705 608577708 /nfs/dbraw/zinc/57/77/08/608577708.db2.gz GHTKUBLKQHHHFJ-UHFFFAOYSA-N -1 0 322.741 1.129 20 50 DDGDRM CC=CC=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825029355 608624652 /nfs/dbraw/zinc/62/46/52/608624652.db2.gz QKCTYVJPNMIEBH-IAROGAJJSA-N -1 0 305.729 1.491 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826925334 603417446 /nfs/dbraw/zinc/41/74/46/603417446.db2.gz FMZDHXJTISHZRB-CMPLNLGQSA-N -1 0 322.365 1.372 20 50 DDGDRM Cc1cc[nH]c(=NNC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c1 ZINC000830611950 603481405 /nfs/dbraw/zinc/48/14/05/603481405.db2.gz QYSWFTGVDGQFHJ-ZDUSSCGKSA-N -1 0 314.345 1.885 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2cnnc3ccccc32)C1 ZINC000832280365 603620477 /nfs/dbraw/zinc/62/04/77/603620477.db2.gz UXSQZPIFIFUURG-ZJUUUORDSA-N -1 0 315.333 1.509 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)CCOc2ccccc2)CC1 ZINC000831437423 603858158 /nfs/dbraw/zinc/85/81/58/603858158.db2.gz TUXCSMBOTGIXIL-UHFFFAOYSA-N -1 0 319.361 1.948 20 50 DDGDRM CCOC(=O)NNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000827327565 603936407 /nfs/dbraw/zinc/93/64/07/603936407.db2.gz KXLUPQLYHMSBIN-VHSXEESVSA-N -1 0 301.343 1.370 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000829102326 603967975 /nfs/dbraw/zinc/96/79/75/603967975.db2.gz WUNMBKXNZOERLW-ZJUUUORDSA-N -1 0 323.353 1.063 20 50 DDGDRM CC(C)c1nn(C)cc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833511858 604803034 /nfs/dbraw/zinc/80/30/34/604803034.db2.gz IYASQCFOBAVYPJ-UHFFFAOYSA-N -1 0 303.322 1.394 20 50 DDGDRM C[C@H](OC[C@H]1CCCCO1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833535441 604803050 /nfs/dbraw/zinc/80/30/50/604803050.db2.gz JCGUEPNZOINCGP-CMPLNLGQSA-N -1 0 323.349 1.197 20 50 DDGDRM COc1ccc2[nH]c(=NNC(=O)CN(C)C(=O)[O-])c(C)cc2c1 ZINC000833735007 605412738 /nfs/dbraw/zinc/41/27/38/605412738.db2.gz QNHQXFVCMIBUSO-UHFFFAOYSA-N -1 0 318.333 1.605 20 50 DDGDRM CCOc1ccc(C=NNC(=O)NCC(=O)[O-])cc1OCC ZINC000833664513 605592397 /nfs/dbraw/zinc/59/23/97/605592397.db2.gz WBSLLEIZXPYAGL-UHFFFAOYSA-N -1 0 309.322 1.202 20 50 DDGDRM Cc1ccccc1NNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000830587556 605594242 /nfs/dbraw/zinc/59/42/42/605594242.db2.gz ZESYXNQRRLIMFD-NSHDSACASA-N -1 0 309.391 1.924 20 50 DDGDRM O=C([O-])N1CCC[C@H](NC(=O)NNc2cccc(F)c2F)C1 ZINC000831742487 605667693 /nfs/dbraw/zinc/66/76/93/605667693.db2.gz HTYSFCGXTIETIV-QMMMGPOBSA-N -1 0 314.292 1.733 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(C(F)(F)F)cc1 ZINC000834227186 605752706 /nfs/dbraw/zinc/75/27/06/605752706.db2.gz NDQYDISLAQYGQE-UHFFFAOYSA-N -1 0 303.240 1.813 20 50 DDGDRM N#CCOc1ccc(C=NNC(=O)CCCNC(=O)[O-])cc1 ZINC000833967281 605796447 /nfs/dbraw/zinc/79/64/47/605796447.db2.gz PPMGRBVISFYDFR-UHFFFAOYSA-N -1 0 304.306 1.087 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(F)c2cccnc12 ZINC000834228935 605800365 /nfs/dbraw/zinc/80/03/65/605800365.db2.gz UQQCCAIHORBSBV-UHFFFAOYSA-N -1 0 318.308 1.872 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)CCc1ccc(Cl)s1 ZINC000834226757 605843969 /nfs/dbraw/zinc/84/39/69/605843969.db2.gz AFFILEZGYPHFMC-UHFFFAOYSA-N -1 0 319.770 1.139 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1cccnc1 ZINC000833831621 605999146 /nfs/dbraw/zinc/99/91/46/605999146.db2.gz QTCJMHKBYAFBHX-ABAIWWIYSA-N -1 0 320.349 1.059 20 50 DDGDRM Cn1cccc1C(=O)NNC(=O)Cc1ccccc1NC(=O)[O-] ZINC000833951856 606042271 /nfs/dbraw/zinc/04/22/71/606042271.db2.gz BRJSPMNDFVLTDN-UHFFFAOYSA-N -1 0 316.317 1.119 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)CNc2ccccc2)C1 ZINC000834005921 606046295 /nfs/dbraw/zinc/04/62/95/606046295.db2.gz JBWIBYUZOLFHRL-GFCCVEGCSA-N -1 0 304.350 1.591 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832977576 600834694 /nfs/dbraw/zinc/83/46/94/600834694.db2.gz UUFWIWQDWVXGPE-NWDGAFQWSA-N -1 0 304.346 1.647 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1 ZINC000833148953 600835194 /nfs/dbraw/zinc/83/51/94/600835194.db2.gz BRPFCLXXZFFNFZ-MNOVXSKESA-N -1 0 324.764 1.992 20 50 DDGDRM O=C(CCc1ccco1)NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833103521 600918541 /nfs/dbraw/zinc/91/85/41/600918541.db2.gz PNFJGLCNVJPHKS-MNOVXSKESA-N -1 0 308.334 1.251 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccco2)C1 ZINC000833103523 600918559 /nfs/dbraw/zinc/91/85/59/600918559.db2.gz PNFJGLCNVJPHKS-WDEREUQCSA-N -1 0 308.334 1.251 20 50 DDGDRM COc1cc(OC)cc([C@@H](NNC(=O)CCC(C)C)C(=O)[O-])c1 ZINC000832067976 602170589 /nfs/dbraw/zinc/17/05/89/602170589.db2.gz UMMFSFUKERPZQM-OAHLLOKOSA-N -1 0 324.377 1.887 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NN=c2[nH]cccc2[N+](=O)[O-])s1 ZINC000833311250 602323709 /nfs/dbraw/zinc/32/37/09/602323709.db2.gz FMRQTXAALCHRBM-UHFFFAOYSA-N -1 0 308.275 1.506 20 50 DDGDRM C[C@@H](C(=O)NNC(=O)NC1CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702377 603413767 /nfs/dbraw/zinc/41/37/67/603413767.db2.gz KAWVKCKGIYOUSM-SKDRFNHKSA-N -1 0 320.349 1.124 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c(C)o1 ZINC000829956878 603429931 /nfs/dbraw/zinc/42/99/31/603429931.db2.gz OXBHHJZNSRGBJJ-VHSXEESVSA-N -1 0 309.322 1.094 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2ccc(F)c(F)c2F)C1 ZINC000832277801 603558718 /nfs/dbraw/zinc/55/87/18/603558718.db2.gz KYUGHNHJGWGFAA-RNFRBKRXSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)c3ccccn3)c21 ZINC000831736510 603819014 /nfs/dbraw/zinc/81/90/14/603819014.db2.gz NSFNNRWIOQAWOP-UHFFFAOYSA-N -1 0 310.313 1.886 20 50 DDGDRM Cn1cc(C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)cn1 ZINC000830988888 603822702 /nfs/dbraw/zinc/82/27/02/603822702.db2.gz KNMWFCRPEHRGQT-UHFFFAOYSA-N -1 0 313.317 1.225 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])[nH]c1 ZINC000830396346 603849084 /nfs/dbraw/zinc/84/90/84/603849084.db2.gz YYNGCZOOSIBGFW-MNOVXSKESA-N -1 0 307.354 1.452 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])[nH]c1 ZINC000830396369 603868225 /nfs/dbraw/zinc/86/82/25/603868225.db2.gz ZVKZSWBCRDLEFE-NWDGAFQWSA-N -1 0 321.381 1.843 20 50 DDGDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccoc1 ZINC000832514922 603871436 /nfs/dbraw/zinc/87/14/36/603871436.db2.gz PNOMVMSCLILEPK-GXSJLCMTSA-N -1 0 324.337 1.050 20 50 DDGDRM CC(C(=O)NNC(=O)NC1CCN(C(=O)[O-])CC1)=C1CCCC1 ZINC000823705491 603920094 /nfs/dbraw/zinc/92/00/94/603920094.db2.gz WUVKJRFNWRWAMK-UHFFFAOYSA-N -1 0 324.381 1.350 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831907831 603948857 /nfs/dbraw/zinc/94/88/57/603948857.db2.gz IGZIVBYEMXGPPJ-LBPRGKRZSA-N -1 0 321.230 1.639 20 50 DDGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000824137893 604412400 /nfs/dbraw/zinc/41/24/00/604412400.db2.gz WPCUICAEBBZLEB-JTQLQIEISA-N -1 0 305.256 1.839 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830568019 604495194 /nfs/dbraw/zinc/49/51/94/604495194.db2.gz WMHLVLQLMRFWGJ-ZDUSSCGKSA-N -1 0 319.361 1.217 20 50 DDGDRM CCc1[nH]c(C(=O)NNC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC000830196528 604538026 /nfs/dbraw/zinc/53/80/26/604538026.db2.gz MLQNPDDFYMBLGE-UHFFFAOYSA-N -1 0 311.338 1.753 20 50 DDGDRM O=C([O-])c1cccc(CC(=O)NNC(=O)NCc2ccco2)c1 ZINC000833765598 604723565 /nfs/dbraw/zinc/72/35/65/604723565.db2.gz IDBVPTOQGMJGIJ-UHFFFAOYSA-N -1 0 317.301 1.051 20 50 DDGDRM C[C@@H](Oc1cccnc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833543792 604802930 /nfs/dbraw/zinc/80/29/30/604802930.db2.gz WOCSOWATNCSRFZ-SECBINFHSA-N -1 0 302.290 1.085 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[O-])c(O)c1 ZINC000830224891 605154081 /nfs/dbraw/zinc/15/40/81/605154081.db2.gz CFWZXEJBIMVITC-NSHDSACASA-N -1 0 323.349 1.144 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1c(F)cccc1N1CCCC1 ZINC000834199812 605386346 /nfs/dbraw/zinc/38/63/46/605386346.db2.gz OGJAEKJKFUIFIP-UHFFFAOYSA-N -1 0 308.313 1.144 20 50 DDGDRM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1ccc(F)cc1 ZINC000831414182 605418187 /nfs/dbraw/zinc/41/81/87/605418187.db2.gz KOMSDSDILGQIEO-LLVKDONJSA-N -1 0 313.354 1.754 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1cc(Cl)sc1Cl ZINC000834202960 605451268 /nfs/dbraw/zinc/45/12/68/605451268.db2.gz CYRFZZCWLZMZOQ-UHFFFAOYSA-N -1 0 312.134 1.084 20 50 DDGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)Cc1cc(C)[nH]n1 ZINC000824759175 605462601 /nfs/dbraw/zinc/46/26/01/605462601.db2.gz JCYLPSCLYDZFAE-LBPRGKRZSA-N -1 0 307.354 1.285 20 50 DDGDRM C#Cc1cccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833368305 605482280 /nfs/dbraw/zinc/48/22/80/605482280.db2.gz KPBMOHCDSCAZDH-UHFFFAOYSA-N -1 0 323.308 1.448 20 50 DDGDRM N#Cc1cccc(NNC(=O)CC[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000833976556 605533082 /nfs/dbraw/zinc/53/30/82/605533082.db2.gz OICFPZMWHKDJBV-NSHDSACASA-N -1 0 302.334 1.781 20 50 DDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccc1F ZINC000823851084 605575113 /nfs/dbraw/zinc/57/51/13/605575113.db2.gz VXGBMPVFVMPKPB-SNVBAGLBSA-N -1 0 311.313 1.269 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc2ccccc2c1O ZINC000833384682 605590157 /nfs/dbraw/zinc/59/01/57/605590157.db2.gz LRDYXMXQLOBLRZ-UHFFFAOYSA-N -1 0 301.302 1.653 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@]2(C)CCCN2C(=O)[O-])c(C)o1 ZINC000833898317 605673608 /nfs/dbraw/zinc/67/36/08/605673608.db2.gz MUMCJHAUALHGHQ-AWEZNQCLSA-N -1 0 309.322 1.190 20 50 DDGDRM O=C([O-])NNC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000834250544 605681855 /nfs/dbraw/zinc/68/18/55/605681855.db2.gz KHYWONOONQNAQS-SSDOTTSWSA-N -1 0 316.720 1.540 20 50 DDGDRM N#Cc1cccc(NNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000833976251 605715308 /nfs/dbraw/zinc/71/53/08/605715308.db2.gz KTNIUVKGXYMRSL-RYUDHWBXSA-N -1 0 302.334 1.828 20 50 DDGDRM CC(C)(C)N1C[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)CC1=O ZINC000833431468 605732582 /nfs/dbraw/zinc/73/25/82/605732582.db2.gz NJDAEYCPKCSUDY-LLVKDONJSA-N -1 0 319.361 1.475 20 50 DDGDRM O=C([O-])N1CC[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)C1 ZINC000834046807 605737471 /nfs/dbraw/zinc/73/74/71/605737471.db2.gz DUXHPWXMHXWVFQ-MRVPVSSYSA-N -1 0 315.276 1.731 20 50 DDGDRM N#Cc1ccc2c(c1)CCCC2=NNC(=O)CCNC(=O)[O-] ZINC000833977834 605746062 /nfs/dbraw/zinc/74/60/62/605746062.db2.gz ZLXQXWCPGVJZPR-UHFFFAOYSA-N -1 0 300.318 1.373 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc(Cl)cc2cccnc12 ZINC000834227467 605747912 /nfs/dbraw/zinc/74/79/12/605747912.db2.gz FEQPSZHWZHKTRZ-UHFFFAOYSA-N -1 0 320.736 1.996 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccccc1Br ZINC000834227621 605750348 /nfs/dbraw/zinc/75/03/48/605750348.db2.gz XUDVKXSNOGAPRY-UHFFFAOYSA-N -1 0 314.139 1.557 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)COCc1ccccc1 ZINC000834170128 605861961 /nfs/dbraw/zinc/86/19/61/605861961.db2.gz SELOSSIWBGHSNB-GFCCVEGCSA-N -1 0 305.334 1.496 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNc1ccnc(F)c1 ZINC000833830795 605872283 /nfs/dbraw/zinc/87/22/83/605872283.db2.gz OGLHIIRIEMZORH-HZMBPMFUSA-N -1 0 310.329 1.880 20 50 DDGDRM O=C([O-])N[C@@H](CNC(=O)NNc1c(F)cccc1F)C1CC1 ZINC000834142739 605942928 /nfs/dbraw/zinc/94/29/28/605942928.db2.gz HRGLKFBIWKPRSP-JTQLQIEISA-N -1 0 314.292 1.637 20 50 DDGDRM O=C([O-])Nc1ccc(OS(=O)(=O)CBr)cc1 ZINC000834263150 605954643 /nfs/dbraw/zinc/95/46/43/605954643.db2.gz XJSTVQQIMDRINE-UHFFFAOYSA-N -1 0 310.125 1.838 20 50 DDGDRM C[C@H](C(=O)NN=c1nccc[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702090 603293479 /nfs/dbraw/zinc/29/34/79/603293479.db2.gz JEDKDPKYLZKBTL-JQWIXIFHSA-N -1 0 315.333 1.565 20 50 DDGDRM CCCCNC(=O)NNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826841717 603414457 /nfs/dbraw/zinc/41/44/57/603414457.db2.gz ALAAGLSQCPPQJZ-UHFFFAOYSA-N -1 0 308.338 1.829 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830555770 603435303 /nfs/dbraw/zinc/43/53/03/603435303.db2.gz ZJROJWJEWOIHHN-QWRGUYRKSA-N -1 0 305.334 1.192 20 50 DDGDRM CSc1nc(-c2ccco2)nc(C)c1C(=O)NNC(=O)[O-] ZINC000829777720 603477424 /nfs/dbraw/zinc/47/74/24/603477424.db2.gz LHUWONRLMRCZOZ-UHFFFAOYSA-N -1 0 308.319 1.679 20 50 DDGDRM COc1ccc([C@H](C)C(C)=NNC(=O)NCCNC(=O)[O-])cc1 ZINC000829291514 603581703 /nfs/dbraw/zinc/58/17/03/603581703.db2.gz ASEXRRMACLTDSF-SNVBAGLBSA-N -1 0 322.365 1.741 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)C1CCC1)Cc1ccccc1 ZINC000832105234 603595369 /nfs/dbraw/zinc/59/53/69/603595369.db2.gz LPXNLHQWVJUQBG-ZDUSSCGKSA-N -1 0 319.361 1.203 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C[C@@H]1CCCc2ccccc21 ZINC000832652901 603727733 /nfs/dbraw/zinc/72/77/33/603727733.db2.gz NCWGHVUPDYIHJU-LBPRGKRZSA-N -1 0 304.350 1.659 20 50 DDGDRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccoc1 ZINC000832514924 603871690 /nfs/dbraw/zinc/87/16/90/603871690.db2.gz PNOMVMSCLILEPK-MWLCHTKSSA-N -1 0 324.337 1.050 20 50 DDGDRM O=C([O-])NN=C1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000832743928 603883769 /nfs/dbraw/zinc/88/37/69/603883769.db2.gz FWZLYXAEECWCTE-SNVBAGLBSA-N -1 0 301.302 1.849 20 50 DDGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NN=c1nc(C)cc(C)[nH]1 ZINC000826795738 603889674 /nfs/dbraw/zinc/88/96/74/603889674.db2.gz RDIQZBQBOZKXBX-LLVKDONJSA-N -1 0 324.385 1.546 20 50 DDGDRM O=C([O-])N1CC[C@H](NC(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000831742723 604273325 /nfs/dbraw/zinc/27/33/25/604273325.db2.gz ONCMRPVODKNMKV-ZETCQYMHSA-N -1 0 322.350 1.070 20 50 DDGDRM COc1cc(F)cc(NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000829141372 604315444 /nfs/dbraw/zinc/31/54/44/604315444.db2.gz CVOQMPFIPDWTRS-WCBMZHEXSA-N -1 0 311.313 1.714 20 50 DDGDRM O=C([O-])NNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000832749031 604641702 /nfs/dbraw/zinc/64/17/02/604641702.db2.gz ZJJHTKYSRSCAKM-UHFFFAOYSA-N -1 0 318.211 1.217 20 50 DDGDRM CC(=NNC(=O)NCCNC(=O)[O-])c1cc2c(s1)CCC2 ZINC000823528306 604677265 /nfs/dbraw/zinc/67/72/65/604677265.db2.gz RKAAJRWPYLSCLM-UHFFFAOYSA-N -1 0 310.379 1.528 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1c[nH]c2ccccc12 ZINC000833454697 605221015 /nfs/dbraw/zinc/22/10/15/605221015.db2.gz SVILNRNQXWDJGZ-UHFFFAOYSA-N -1 0 317.345 1.820 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000834047549 605324046 /nfs/dbraw/zinc/32/40/46/605324046.db2.gz JNKAKFGPGDUDOH-GFCCVEGCSA-N -1 0 300.318 1.820 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cccc(OC(F)(F)F)c1 ZINC000834202033 605387076 /nfs/dbraw/zinc/38/70/76/605387076.db2.gz QUFGZHUPYJEOFV-UHFFFAOYSA-N -1 0 305.212 1.303 20 50 DDGDRM CCN(CCCNC(=O)NN=c1cc(Cl)cc[nH]1)C(=O)[O-] ZINC000833857869 605527841 /nfs/dbraw/zinc/52/78/41/605527841.db2.gz BNMAYCXTAVRMCJ-UHFFFAOYSA-N -1 0 315.761 1.751 20 50 DDGDRM CN(C)C(=O)Nc1ccc(C(=O)NNC(=O)[O-])c(Cl)c1 ZINC000827974809 605601869 /nfs/dbraw/zinc/60/18/69/605601869.db2.gz GICMSSQOKHMFCS-UHFFFAOYSA-N -1 0 300.702 1.346 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NNc1ccc(F)c(F)c1F ZINC000834172270 605720895 /nfs/dbraw/zinc/72/08/95/605720895.db2.gz JWDZWCCNMFPTFW-SVRRBLITSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2cccc3cnccc32)C1 ZINC000834085022 605737526 /nfs/dbraw/zinc/73/75/26/605737526.db2.gz OUCHELBKPAPQKL-OAHLLOKOSA-N -1 0 318.308 1.770 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NNC(=O)C1CCCC1 ZINC000834045603 605740350 /nfs/dbraw/zinc/74/03/50/605740350.db2.gz RFRXQWZSSNKJIL-TZMCWYRMSA-N -1 0 323.393 1.828 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@H]1CCCC1=NNC(=O)C1CCC1 ZINC000834044263 605742564 /nfs/dbraw/zinc/74/25/64/605742564.db2.gz BYKHFUVVOXZRKO-WCQYABFASA-N -1 0 309.366 1.438 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCCOc2ccc(F)cc21 ZINC000834229860 605798697 /nfs/dbraw/zinc/79/86/97/605798697.db2.gz OLTCTZGZAMCGHO-UHFFFAOYSA-N -1 0 323.324 1.866 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)NCC2CC2)c1 ZINC000834266565 605804195 /nfs/dbraw/zinc/80/41/95/605804195.db2.gz GKVFVAOOYASIRJ-UHFFFAOYSA-N -1 0 306.322 1.059 20 50 DDGDRM O=C([O-])N(CC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000834001227 605960788 /nfs/dbraw/zinc/96/07/88/605960788.db2.gz IASIPZKNADPFBN-UHFFFAOYSA-N -1 0 316.317 1.071 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)C1CCCC1 ZINC000833831308 606011675 /nfs/dbraw/zinc/01/16/75/606011675.db2.gz QLZSQCSIGZMREU-NHYWBVRUSA-N -1 0 311.382 1.541 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2cnnc3ccccc32)C1 ZINC000833184333 601210955 /nfs/dbraw/zinc/21/09/55/601210955.db2.gz QBQMXDBYJKOEAH-GHMZBOCLSA-N -1 0 314.345 1.964 20 50 DDGDRM COCC(=O)NN=C(C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000831541481 602300992 /nfs/dbraw/zinc/30/09/92/602300992.db2.gz XDSPRDFTBPNUPS-UHFFFAOYSA-N -1 0 321.358 1.790 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)[O-] ZINC000824671236 603223170 /nfs/dbraw/zinc/22/31/70/603223170.db2.gz DYNFQXPIYCYMPH-LDWCXNJISA-N -1 0 323.393 1.396 20 50 DDGDRM CC1=C(C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)CCC1 ZINC000824851592 607621127 /nfs/dbraw/zinc/62/11/27/607621127.db2.gz AVMGUTUDNPJTDL-UHFFFAOYSA-N -1 0 317.353 1.922 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824372747 603427814 /nfs/dbraw/zinc/42/78/14/603427814.db2.gz CQLLDFCCCRQRIL-CMPLNLGQSA-N -1 0 322.365 1.370 20 50 DDGDRM CCC(CC)(CNC(=O)NN=c1nc(C)cc(C)[nH]1)NC(=O)[O-] ZINC000826540794 603548598 /nfs/dbraw/zinc/54/85/98/603548598.db2.gz GARHHBCYQIFXFY-UHFFFAOYSA-N -1 0 324.385 1.546 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2cnnc3ccccc32)C1 ZINC000832280361 603620616 /nfs/dbraw/zinc/62/06/16/603620616.db2.gz UXSQZPIFIFUURG-NXEZZACHSA-N -1 0 315.333 1.509 20 50 DDGDRM N#Cc1csc(C=NNC(=O)NC2CCN(C(=O)[O-])CC2)c1 ZINC000831161905 603763844 /nfs/dbraw/zinc/76/38/44/603763844.db2.gz POBBOICXNYUEKL-UHFFFAOYSA-N -1 0 321.362 1.395 20 50 DDGDRM COCCOC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2 ZINC000828996674 603809474 /nfs/dbraw/zinc/80/94/74/603809474.db2.gz UXCFSVKRALAIBM-LCYFTJDESA-N -1 0 316.313 1.824 20 50 DDGDRM CN(NC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-])c1ccccc1 ZINC000828434957 603853353 /nfs/dbraw/zinc/85/33/53/603853353.db2.gz SDBXADCMIDLHAA-AAEUAGOBSA-N -1 0 306.366 1.773 20 50 DDGDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NN=c1cccc[nH]1 ZINC000832515665 603863163 /nfs/dbraw/zinc/86/31/63/603863163.db2.gz RJLHRFLKWNUHAS-WDEREUQCSA-N -1 0 307.354 1.534 20 50 DDGDRM N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000831066155 604105475 /nfs/dbraw/zinc/10/54/75/604105475.db2.gz VDYMGZIQECTIAQ-GKWYLQRDSA-N -1 0 316.313 1.842 20 50 DDGDRM N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000831065914 604105744 /nfs/dbraw/zinc/10/57/44/604105744.db2.gz SZSMZUVGNITQCU-YQCJOKCJSA-N -1 0 316.313 1.985 20 50 DDGDRM O=C([O-])N(CCNC(=O)NNc1cccc(F)c1F)C1CC1 ZINC000831685066 604106875 /nfs/dbraw/zinc/10/68/75/604106875.db2.gz JGNFEALMDJFUNB-UHFFFAOYSA-N -1 0 314.292 1.733 20 50 DDGDRM CN(CCN1CCN(C(=O)[O-])CC1)/C(=C/C#N)c1ccccc1 ZINC000828312249 604217479 /nfs/dbraw/zinc/21/74/79/604217479.db2.gz IYEYTRABPKQLBD-FRKPEAEDSA-N -1 0 314.389 1.778 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824672141 604306999 /nfs/dbraw/zinc/30/69/99/604306999.db2.gz RUFAOITYLMHPQL-MNOVXSKESA-N -1 0 313.398 1.596 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NN=c2[nH]cccc2[N+](=O)[O-])o1 ZINC000832701986 604314820 /nfs/dbraw/zinc/31/48/20/604314820.db2.gz JLRZQSHCGDWDRX-UHFFFAOYSA-N -1 0 321.249 1.107 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1cccc(Cl)c1F ZINC000832652872 604346794 /nfs/dbraw/zinc/34/67/94/604346794.db2.gz MFLLDPCVVNPMJP-UHFFFAOYSA-N -1 0 302.693 1.380 20 50 DDGDRM O=C([O-])N1CC(NC(=O)NNc2ccc(Cl)cc2Cl)C1 ZINC000833148748 604606867 /nfs/dbraw/zinc/60/68/67/604606867.db2.gz QWPXGDFGGXTCKN-UHFFFAOYSA-N -1 0 319.148 1.982 20 50 DDGDRM CC(=O)NC1(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CCCCC1 ZINC000833396002 604802191 /nfs/dbraw/zinc/80/21/91/604802191.db2.gz MHBCJULJLZXJLX-UHFFFAOYSA-N -1 0 320.349 1.062 20 50 DDGDRM CCC1(CC)C(=NNC(=O)NCCNC(=O)[O-])C[C@@H]1OC ZINC000826643847 604934794 /nfs/dbraw/zinc/93/47/94/604934794.db2.gz CELHOTVILJHFKU-JTQLQIEISA-N -1 0 300.359 1.134 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)CNc1ccccc1 ZINC000833408326 605038546 /nfs/dbraw/zinc/03/85/46/605038546.db2.gz SQMVDMKFXCZYNZ-GFCCVEGCSA-N -1 0 314.345 1.696 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(-c2ccccc2F)o1 ZINC000834201708 605387222 /nfs/dbraw/zinc/38/72/22/605387222.db2.gz NFMNXEOUHCRVHY-UHFFFAOYSA-N -1 0 305.265 1.803 20 50 DDGDRM CCCNC(=O)NN=C1CCC[C@@H]1[C@H]1COCCN1C(=O)[O-] ZINC000833855632 605741889 /nfs/dbraw/zinc/74/18/89/605741889.db2.gz JWNXMARVZGWBMX-CMPLNLGQSA-N -1 0 312.370 1.231 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1c[nH]c2cccc(F)c12 ZINC000834228819 605800425 /nfs/dbraw/zinc/80/04/25/605800425.db2.gz RRZMJAOKUDEJNL-UHFFFAOYSA-N -1 0 306.297 1.805 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1cccc2c1OCCCO2 ZINC000834228654 605800615 /nfs/dbraw/zinc/80/06/15/605800615.db2.gz NORRNGUAMYDCEE-UHFFFAOYSA-N -1 0 321.333 1.346 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)[C@H]1COc2ccccc2O1 ZINC000834171244 605857150 /nfs/dbraw/zinc/85/71/50/605857150.db2.gz XLZOXYVZKJZYEB-NOZJJQNGSA-N -1 0 319.317 1.119 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNc1cc(F)c(F)cc1F ZINC000834234159 605926286 /nfs/dbraw/zinc/92/62/86/605926286.db2.gz LRFVILPKSGXGKF-UHFFFAOYSA-N -1 0 305.256 1.985 20 50 DDGDRM O=C([O-])NNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000834251282 605941611 /nfs/dbraw/zinc/94/16/11/605941611.db2.gz SUMXRLSXHMMIGX-SSDOTTSWSA-N -1 0 316.720 1.540 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1c[nH]c2cccc(F)c12 ZINC000834230786 605978539 /nfs/dbraw/zinc/97/85/39/605978539.db2.gz CSGUKRLVULYCAI-UHFFFAOYSA-N -1 0 322.296 1.116 20 50 DDGDRM O=C([O-])NCCNC(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000834243114 606014796 /nfs/dbraw/zinc/01/47/96/606014796.db2.gz IHBNJIJRDPOVHJ-UHFFFAOYSA-N -1 0 324.234 1.738 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)Cc1ccc(F)cc1)c1ccccc1F ZINC000833118022 600733540 /nfs/dbraw/zinc/73/35/40/600733540.db2.gz DVDPOBZBMNXXLQ-HNNXBMFYSA-N -1 0 320.295 1.954 20 50 DDGDRM N#Cc1cccc(C(=O)NN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833074023 600748200 /nfs/dbraw/zinc/74/82/00/600748200.db2.gz MIIUTANUKJFDKN-CQSZACIVSA-N -1 0 313.288 1.758 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2F)C1 ZINC000833149079 600835269 /nfs/dbraw/zinc/83/52/69/600835269.db2.gz DFQXFTIOVGILHN-NXEZZACHSA-N -1 0 308.309 1.478 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1 ZINC000833147214 600912677 /nfs/dbraw/zinc/91/26/77/600912677.db2.gz YDJLKFPXDLQJCH-ZJUUUORDSA-N -1 0 309.322 1.001 20 50 DDGDRM CC(C)OCCCNC(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1 ZINC000827027501 601790158 /nfs/dbraw/zinc/79/01/58/601790158.db2.gz MWQAZAVAMSGQBF-WUXMJOGZSA-N -1 0 305.334 1.551 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000827303461 602068526 /nfs/dbraw/zinc/06/85/26/602068526.db2.gz FQLSWZSUXZTFLS-DKHPWKACSA-N -1 0 322.405 1.851 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cn(C)c2ccccc12 ZINC000827303448 602077193 /nfs/dbraw/zinc/07/71/93/602077193.db2.gz FLHOBTURJQWISI-VIFPVBQESA-N -1 0 303.318 1.050 20 50 DDGDRM Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000832935159 602266414 /nfs/dbraw/zinc/26/64/14/602266414.db2.gz ADVSXQUMUFWPDU-QMMMGPOBSA-N -1 0 313.354 1.563 20 50 DDGDRM Cc1cccc(NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC000830522332 603454557 /nfs/dbraw/zinc/45/45/57/603454557.db2.gz PXXQYQCJMLLXLR-ZDUSSCGKSA-N -1 0 307.350 1.597 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NN=c2[nH]ccnc2Cl)C1 ZINC000832325491 603621814 /nfs/dbraw/zinc/62/18/14/603621814.db2.gz MGLBEOXLQQFVQI-HTQZYQBOSA-N -1 0 313.745 1.400 20 50 DDGDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NNc1ccc(F)cc1 ZINC000826116092 603645105 /nfs/dbraw/zinc/64/51/05/603645105.db2.gz ORYRLPSQTRJFKU-GZMMTYOYSA-N -1 0 311.313 1.772 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2cnnc3ccccc32)C1 ZINC000831909258 603895317 /nfs/dbraw/zinc/89/53/17/603895317.db2.gz XSOCDSRAYNYHPO-CQSZACIVSA-N -1 0 319.296 1.165 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1cc2ccccc2s1 ZINC000832652871 604020847 /nfs/dbraw/zinc/02/08/47/604020847.db2.gz MERXZOFWDHRIRI-UHFFFAOYSA-N -1 0 306.347 1.802 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1CNC(=O)NNc1cccc(F)c1F ZINC000831647985 604122283 /nfs/dbraw/zinc/12/22/83/604122283.db2.gz SIJNIXQDPIEJJY-MRVPVSSYSA-N -1 0 314.292 1.733 20 50 DDGDRM CCN(CC)c1cc[nH]c(=NNC(=O)[C@H](NC(=O)[O-])C(C)C)n1 ZINC000827052453 604272039 /nfs/dbraw/zinc/27/20/39/604272039.db2.gz SKWQQGMHEILWLK-LLVKDONJSA-N -1 0 324.385 1.058 20 50 DDGDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1 ZINC000825229958 604278052 /nfs/dbraw/zinc/27/80/52/604278052.db2.gz XIMPSLYKEMUQNX-ZJUUUORDSA-N -1 0 314.386 1.141 20 50 DDGDRM Cc1cc(NNC(=O)c2ccc(C(=O)[O-])c(F)c2)nc(C)n1 ZINC000832898530 604281424 /nfs/dbraw/zinc/28/14/24/604281424.db2.gz OFFUAROLPFAWRF-UHFFFAOYSA-N -1 0 304.281 1.688 20 50 DDGDRM CC(C)C(=O)NNC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000824043802 604438622 /nfs/dbraw/zinc/43/86/22/604438622.db2.gz LWAHORBXXNZEMT-JTQLQIEISA-N -1 0 322.365 1.502 20 50 DDGDRM C[C@@H](Oc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833540670 604800986 /nfs/dbraw/zinc/80/09/86/604800986.db2.gz OPFMGJXFSKWVLG-SNVBAGLBSA-N -1 0 301.302 1.690 20 50 DDGDRM CN(C)CC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CCC2 ZINC000828009904 604826435 /nfs/dbraw/zinc/82/64/35/604826435.db2.gz PNAKFDOPNNSKGE-UHFFFAOYSA-N -1 0 304.350 1.129 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)C1CCC1)C1CCN(C(=O)[O-])CC1 ZINC000824670892 604885573 /nfs/dbraw/zinc/88/55/73/604885573.db2.gz BLZPKMVRZUTDHT-JTQLQIEISA-N -1 0 311.382 1.350 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1ccc2ccccc2n1)c1cccnc1 ZINC000833148947 604988596 /nfs/dbraw/zinc/98/85/96/604988596.db2.gz BLXXMONTNDVQLX-OAHLLOKOSA-N -1 0 322.324 1.690 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(C#N)cc1 ZINC000833406623 605039943 /nfs/dbraw/zinc/03/99/43/605039943.db2.gz OSCMGTBUOOAGOL-NSHDSACASA-N -1 0 310.313 1.769 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000831907417 605409358 /nfs/dbraw/zinc/40/93/58/605409358.db2.gz CZBXYRHGLFZGJR-LBPRGKRZSA-N -1 0 312.257 1.130 20 50 DDGDRM COc1ccc2[nH]c(=NNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c(C)cc2c1 ZINC000833735411 605413064 /nfs/dbraw/zinc/41/30/64/605413064.db2.gz ZWCJCZKVACPBLX-NEPJUHHUSA-N -1 0 315.329 1.716 20 50 DDGDRM COc1ccc(NNC(=O)[C@H]2CCCN2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829484322 605421623 /nfs/dbraw/zinc/42/16/23/605421623.db2.gz RKLVGPAXJOEKJL-SNVBAGLBSA-N -1 0 324.293 1.189 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1cc2cc(F)ccc2s1 ZINC000834203578 605464598 /nfs/dbraw/zinc/46/45/98/605464598.db2.gz TYGKEVGGUJQEJN-UHFFFAOYSA-N -1 0 311.294 1.069 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1cncc2ccccc12 ZINC000832652646 605476696 /nfs/dbraw/zinc/47/66/96/605476696.db2.gz IJTKZUZRLXNTLF-UHFFFAOYSA-N -1 0 301.306 1.136 20 50 DDGDRM N#Cc1cccc(NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC000833977242 605715482 /nfs/dbraw/zinc/71/54/82/605715482.db2.gz WTCJSWDHPLSBLF-ZDUSSCGKSA-N -1 0 318.333 1.160 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1 ZINC000834050579 605716243 /nfs/dbraw/zinc/71/62/43/605716243.db2.gz ZRGGPRLBWIZLLL-SECBINFHSA-N -1 0 308.294 1.428 20 50 DDGDRM CC1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CCOCC1 ZINC000833564224 605746264 /nfs/dbraw/zinc/74/62/64/605746264.db2.gz VDWNEVZOXJKHSO-UHFFFAOYSA-N -1 0 307.350 1.828 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cnc([C@@H]2CCCO2)s1 ZINC000834227302 605746925 /nfs/dbraw/zinc/74/69/25/605746925.db2.gz QIGSGCZDBDCFBG-VIFPVBQESA-N -1 0 312.351 1.102 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cccc(-c2cccnc2)c1 ZINC000834226793 605748540 /nfs/dbraw/zinc/74/85/40/605748540.db2.gz BWWWEPOFCRKQIW-UHFFFAOYSA-N -1 0 312.329 1.856 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2ccc(Cl)cc2)C1 ZINC000834081535 605763366 /nfs/dbraw/zinc/76/33/66/605763366.db2.gz AYAVNEXVWSVYFP-LBPRGKRZSA-N -1 0 301.705 1.875 20 50 DDGDRM O=C([O-])Nc1ncccc1C=NNC(=O)Cc1ccsc1 ZINC000834281088 605955872 /nfs/dbraw/zinc/95/58/72/605955872.db2.gz ZWKDXQMIRNKBOR-UHFFFAOYSA-N -1 0 304.331 1.926 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000834046071 605990667 /nfs/dbraw/zinc/99/06/67/605990667.db2.gz XKJOZDAFBOSXBA-UHFFFAOYSA-N -1 0 319.317 1.665 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2c(F)cccc2F)cn1 ZINC000834277288 606060795 /nfs/dbraw/zinc/06/07/95/606060795.db2.gz XPIXYBZGHGZPDF-UHFFFAOYSA-N -1 0 309.232 1.602 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2ncccc2Cl)cn1 ZINC000834277793 606068522 /nfs/dbraw/zinc/06/85/22/606068522.db2.gz QYRTXEKKYIYZRQ-UHFFFAOYSA-N -1 0 308.685 1.372 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cscn1 ZINC000826445947 608575056 /nfs/dbraw/zinc/57/50/56/608575056.db2.gz SADYHYWUOJHTKZ-UHFFFAOYSA-N -1 0 322.741 1.129 20 50 DDGDRM CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(=O)[O-])c1 ZINC000829545898 601070994 /nfs/dbraw/zinc/07/09/94/601070994.db2.gz TWBOPXLUXWWAAF-UHFFFAOYSA-N -1 0 316.339 1.142 20 50 DDGDRM O=C([O-])c1cc(C(=O)NNC(=O)NC2CCCCC2)ccn1 ZINC000833149184 601270302 /nfs/dbraw/zinc/27/03/02/601270302.db2.gz HKFNLLJFWVUQLG-UHFFFAOYSA-N -1 0 306.322 1.057 20 50 DDGDRM C[C@@H](C(=O)NNC(=O)C1CCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823706186 602910691 /nfs/dbraw/zinc/91/06/91/602910691.db2.gz ZXQKBQUYEPEMIX-MFKMUULPSA-N -1 0 319.361 1.579 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2ccc(Cl)nn2)C1 ZINC000832323747 603634470 /nfs/dbraw/zinc/63/44/70/603634470.db2.gz GGIGPFVWMUPTCL-JGVFFNPUSA-N -1 0 313.745 1.400 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)CC(C)(C)NC(=O)[O-])n1 ZINC000830765770 603735596 /nfs/dbraw/zinc/73/55/96/603735596.db2.gz VNQVCPQVJDIHDK-UHFFFAOYSA-N -1 0 301.734 1.318 20 50 DDGDRM N#CC(=Cc1cccc2c1N(C(=O)[O-])CC2)C(N)=C(C#N)C#N ZINC000831065300 603810001 /nfs/dbraw/zinc/81/00/01/603810001.db2.gz QBKWXVBGAGCAKH-SDQBBNPISA-N -1 0 305.297 1.894 20 50 DDGDRM CC(C)CC(=O)NNC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000824170569 603886582 /nfs/dbraw/zinc/88/65/82/603886582.db2.gz PWTLRBNPMCWESL-LBPRGKRZSA-N -1 0 322.365 1.372 20 50 DDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NNc1ccc(F)cn1)C2 ZINC000831742297 603886717 /nfs/dbraw/zinc/88/67/17/603886717.db2.gz ABGHTQKPFHDUQO-FGWVZKOKSA-N -1 0 323.328 1.520 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000824171399 603934280 /nfs/dbraw/zinc/93/42/80/603934280.db2.gz ZOINQHUFRBCKGI-VXGBXAGGSA-N -1 0 313.398 1.787 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNc1c(F)c(F)nc(F)c1F ZINC000824869652 604060218 /nfs/dbraw/zinc/06/02/18/604060218.db2.gz ZGKIMHYWWQVLDB-BYPYZUCNSA-N -1 0 324.234 1.327 20 50 DDGDRM CCN(CCNC(=O)NNc1cccc(F)c1F)C(=O)[O-] ZINC000827146226 604113385 /nfs/dbraw/zinc/11/33/85/604113385.db2.gz MBDWIMSCPNAMSG-UHFFFAOYSA-N -1 0 302.281 1.591 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)CC2(NC(=O)[O-])CCC2)c(O)c1 ZINC000830224880 604217399 /nfs/dbraw/zinc/21/73/99/604217399.db2.gz BXSMFNAOHCVPMG-UHFFFAOYSA-N -1 0 321.333 1.042 20 50 DDGDRM CC(C)NC(=O)NNC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824373543 604321378 /nfs/dbraw/zinc/32/13/78/604321378.db2.gz KVVJARPXFLGVQD-QWRGUYRKSA-N -1 0 314.386 1.141 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000833149266 604988399 /nfs/dbraw/zinc/98/83/99/604988399.db2.gz KZIUZQWKCPMVFI-GFCCVEGCSA-N -1 0 316.273 1.050 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)CCOc1ccccc1)c1cccnc1 ZINC000833103379 604997557 /nfs/dbraw/zinc/99/75/57/604997557.db2.gz YBWQIRYEJDXECO-HNNXBMFYSA-N -1 0 315.329 1.297 20 50 DDGDRM O=C([O-])Cc1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 ZINC000833775201 605123133 /nfs/dbraw/zinc/12/31/33/605123133.db2.gz BSBSWBTYHWWMHD-UHFFFAOYSA-N -1 0 313.313 1.780 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000831742325 605126113 /nfs/dbraw/zinc/12/61/13/605126113.db2.gz APKYHVQHKUUKEW-MRVPVSSYSA-N -1 0 321.362 1.524 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833670358 605221692 /nfs/dbraw/zinc/22/16/92/605221692.db2.gz UUSQTMNXFJWLIZ-UHFFFAOYSA-N -1 0 318.373 1.901 20 50 DDGDRM CCOc1ncccc1C(=O)NNc1ccccc1C(=O)[O-] ZINC000833664782 605261068 /nfs/dbraw/zinc/26/10/68/605261068.db2.gz AEYPRUULOGQOHS-UHFFFAOYSA-N -1 0 301.302 1.935 20 50 DDGDRM O=C([O-])NCC(=O)NN=C(Cc1ccccc1)C(F)(F)F ZINC000834199754 605381375 /nfs/dbraw/zinc/38/13/75/605381375.db2.gz LLQCBXURXUFIRA-UHFFFAOYSA-N -1 0 303.240 1.531 20 50 DDGDRM CCCNC(=O)NN=C(C)c1ccc(CNC(=O)[O-])nc1C ZINC000833855819 605572220 /nfs/dbraw/zinc/57/22/20/605572220.db2.gz OKAFJEORPKNISC-UHFFFAOYSA-N -1 0 307.354 1.591 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)c(C)o1 ZINC000829961799 605577302 /nfs/dbraw/zinc/57/73/02/605577302.db2.gz LZHPYRSNCCKTKL-SNVBAGLBSA-N -1 0 311.338 1.340 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)c1ccccc1F)C1CC1 ZINC000834125297 605601019 /nfs/dbraw/zinc/60/10/19/605601019.db2.gz CLMREQDHXAWXBK-LLVKDONJSA-N -1 0 309.297 1.023 20 50 DDGDRM O=C([O-])NNC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000834250973 605677408 /nfs/dbraw/zinc/67/74/08/605677408.db2.gz PWLJNDOUOFGHKY-UHFFFAOYSA-N -1 0 314.729 1.481 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2cccc(Br)c2)CC1 ZINC000834150730 605716266 /nfs/dbraw/zinc/71/62/66/605716266.db2.gz HXUVVVMOHANEOP-UHFFFAOYSA-N -1 0 314.139 1.692 20 50 DDGDRM Cc1cc(C(=O)NN=C2CCC[C@H]2[C@H]2CCCN2C(=O)[O-])[nH]n1 ZINC000833898437 605724619 /nfs/dbraw/zinc/72/46/19/605724619.db2.gz NMDRSNBKPIIHMT-ZWNOBZJWSA-N -1 0 319.365 1.746 20 50 DDGDRM Cn1c(C=NNC(=O)CCNC(=O)[O-])nc2ccc(Cl)cc21 ZINC000833941685 605748399 /nfs/dbraw/zinc/74/83/99/605748399.db2.gz PUCQQCGEEMXUEP-UHFFFAOYSA-N -1 0 323.740 1.335 20 50 DDGDRM C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000833595777 605748949 /nfs/dbraw/zinc/74/89/49/605748949.db2.gz ADHGSQSFXQZFGS-DDFAGTSDSA-N -1 0 307.350 1.967 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833789279 605802275 /nfs/dbraw/zinc/80/22/75/605802275.db2.gz JHNIAOWBVAGBDV-UHFFFAOYSA-N -1 0 307.350 1.903 20 50 DDGDRM O=C([O-])Nc1cccc(CC(=O)NNc2ccc(Cl)nn2)c1 ZINC000834267250 605844796 /nfs/dbraw/zinc/84/47/96/605844796.db2.gz UHKYWBGHZJMVCO-UHFFFAOYSA-N -1 0 321.724 1.906 20 50 DDGDRM O=C([O-])NC[C@H](C(=O)NNc1ccnc(F)c1)c1ccccc1 ZINC000834210684 605874809 /nfs/dbraw/zinc/87/48/09/605874809.db2.gz SEWCWEPSNAPXHM-LBPRGKRZSA-N -1 0 318.308 1.715 20 50 DDGDRM O=C([O-])Nc1ncccc1C=NNC(=O)CCc1ccco1 ZINC000834280902 605955882 /nfs/dbraw/zinc/95/58/82/605955882.db2.gz WQGFWJUYTNQOOE-UHFFFAOYSA-N -1 0 302.290 1.847 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000834232019 605978284 /nfs/dbraw/zinc/97/82/84/605978284.db2.gz VGNRVOMFNOTYLL-NWDGAFQWSA-N -1 0 311.382 1.398 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)COc2ccccc2F)CC1 ZINC000834009716 605990224 /nfs/dbraw/zinc/99/02/24/605990224.db2.gz BRVVMCMRMRPJON-UHFFFAOYSA-N -1 0 323.324 1.841 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)NCCc2cccs2)C1 ZINC000834044016 606052235 /nfs/dbraw/zinc/05/22/35/606052235.db2.gz CIXCSZFMVIXCTN-NSHDSACASA-N -1 0 324.406 1.966 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)CCc2ccccc2O)C1 ZINC000833999496 606053060 /nfs/dbraw/zinc/05/30/60/606053060.db2.gz LKYHXTGFOSLCOV-LBPRGKRZSA-N -1 0 319.361 1.817 20 50 DDGDRM O=C([O-])N1CCC[C@H](C=NNC(=O)COCc2ccccc2)C1 ZINC000834012225 606053115 /nfs/dbraw/zinc/05/31/15/606053115.db2.gz WWTXZLOVNAGTIK-CQSZACIVSA-N -1 0 319.361 1.695 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)CCc1ccco1)c1ccccc1F ZINC000833103594 600745816 /nfs/dbraw/zinc/74/58/16/600745816.db2.gz VLHCJUONCXHFJC-AWEZNQCLSA-N -1 0 306.293 1.798 20 50 DDGDRM O=C([O-])Nc1ccccc1C(=O)NNC(=O)Cc1ccncc1 ZINC000833288992 601293494 /nfs/dbraw/zinc/29/34/94/601293494.db2.gz YQFZGMKIWQVWCG-UHFFFAOYSA-N -1 0 314.301 1.175 20 50 DDGDRM N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833062506 601556244 /nfs/dbraw/zinc/55/62/44/601556244.db2.gz MPIJKNYMTYXMMP-IMBBRHANSA-N -1 0 305.265 1.958 20 50 DDGDRM COc1ccccc1NC(=S)NNC(=O)[C@H](C)CC(=O)[O-] ZINC000832622981 602266697 /nfs/dbraw/zinc/26/66/97/602266697.db2.gz KWMWTVLZQGSRBS-MRVPVSSYSA-N -1 0 311.363 1.124 20 50 DDGDRM C[C@H](C(=O)NNC(=O)NC1CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702376 603413492 /nfs/dbraw/zinc/41/34/92/603413492.db2.gz KAWVKCKGIYOUSM-JOYOIKCWSA-N -1 0 320.349 1.124 20 50 DDGDRM CCC(CC)(CNC(=O)NNC(=O)C1CCCC1)NC(=O)[O-] ZINC000826540814 603670818 /nfs/dbraw/zinc/67/08/18/603670818.db2.gz GURGZEAJKNRCKM-UHFFFAOYSA-N -1 0 314.386 1.333 20 50 DDGDRM CCOC(=O)c1sc([C@H](C)NC(=O)NNC(=O)[O-])nc1C ZINC000827357037 603777408 /nfs/dbraw/zinc/77/74/08/603777408.db2.gz VFFNJVFCRQNFFX-LURJTMIESA-N -1 0 316.339 1.171 20 50 DDGDRM C[C@@]1(C(=O)NNC(=O)CCc2ccccc2)CCN(C(=O)[O-])C1 ZINC000825673274 603905345 /nfs/dbraw/zinc/90/53/45/603905345.db2.gz OMDYAQNGDFORIR-MRXNPFEDSA-N -1 0 319.361 1.157 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NN=c1[nH]ccc2sccc21 ZINC000831742825 604005290 /nfs/dbraw/zinc/00/52/90/604005290.db2.gz RZSHWLYDQZLEMW-VIFPVBQESA-N -1 0 306.347 1.882 20 50 DDGDRM CCOC(=O)NNC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827329559 604283844 /nfs/dbraw/zinc/28/38/44/604283844.db2.gz XISKKZZSKOOYGS-ZJUUUORDSA-N -1 0 301.343 1.180 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NN=c2[nH]cccc2[N+](=O)[O-])C1 ZINC000832324790 604313358 /nfs/dbraw/zinc/31/33/58/604313358.db2.gz ISXSUZYJZLRROI-RKDXNWHRSA-N -1 0 323.309 1.259 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CCC(C)(C)NC(=O)[O-] ZINC000830567762 604497190 /nfs/dbraw/zinc/49/71/90/604497190.db2.gz UIKYGASRRIGCTC-UHFFFAOYSA-N -1 0 321.377 1.511 20 50 DDGDRM CC(=NNC(=O)NCC(F)(F)F)c1ccc(C(=O)[O-])cc1 ZINC000825798665 604638732 /nfs/dbraw/zinc/63/87/32/604638732.db2.gz RAUHLIBSIJODPH-UHFFFAOYSA-N -1 0 303.240 1.970 20 50 DDGDRM CCn1cc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)cn1 ZINC000833682677 604648729 /nfs/dbraw/zinc/64/87/29/604648729.db2.gz SGNGMMDBQWJYIK-UHFFFAOYSA-N -1 0 304.306 1.367 20 50 DDGDRM Cc1cc(C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)[nH]n1 ZINC000829956914 604697952 /nfs/dbraw/zinc/69/79/52/604697952.db2.gz PQRQXXKRLJUTPS-UHFFFAOYSA-N -1 0 313.317 1.523 20 50 DDGDRM C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000825185803 604769831 /nfs/dbraw/zinc/76/98/31/604769831.db2.gz IYFXUFVXBROMGH-ZCFIWIBFSA-N -1 0 307.228 1.684 20 50 DDGDRM CN(CC(=O)NNc1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000833692694 604939425 /nfs/dbraw/zinc/93/94/25/604939425.db2.gz UPFUVZMHKOCXIQ-UHFFFAOYSA-N -1 0 321.255 1.681 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)Cn1ccc2ccccc21)c1cccnc1 ZINC000833123157 605000941 /nfs/dbraw/zinc/00/09/41/605000941.db2.gz WTVCUDVUBVAHNT-MRXNPFEDSA-N -1 0 324.340 1.483 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000834048347 605322046 /nfs/dbraw/zinc/32/20/46/605322046.db2.gz OJQFUSNEBCIWHC-LBPRGKRZSA-N -1 0 316.317 1.057 20 50 DDGDRM CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1cnn(C)c1 ZINC000824760006 605478150 /nfs/dbraw/zinc/47/81/50/605478150.db2.gz RNTLCPHRMXVTAZ-ZDUSSCGKSA-N -1 0 321.381 1.839 20 50 DDGDRM CC[C@@H](C)Oc1cc(C=NNC(=O)NCC(=O)[O-])ccc1OC ZINC000833641128 605585326 /nfs/dbraw/zinc/58/53/26/605585326.db2.gz NWWOWWHCLUGUFT-SNVBAGLBSA-N -1 0 323.349 1.590 20 50 DDGDRM COc1ccccc1N1CCC(=NNC(=O)NCC(=O)[O-])CC1 ZINC000833736468 605588848 /nfs/dbraw/zinc/58/88/48/605588848.db2.gz LECIRQBEWPKJQK-UHFFFAOYSA-N -1 0 320.349 1.035 20 50 DDGDRM O=C([O-])N1CCC[C@@H](OCC(=O)NNc2ccc(F)cc2)C1 ZINC000831518298 605608561 /nfs/dbraw/zinc/60/85/61/605608561.db2.gz YSWSWPVDPIKBBE-GFCCVEGCSA-N -1 0 311.313 1.428 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)COc1ccccc1F ZINC000833800603 605621120 /nfs/dbraw/zinc/62/11/20/605621120.db2.gz DPNWRTNFLXOSHL-SECBINFHSA-N -1 0 311.313 1.743 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNc1cccnn1)c1ccccc1 ZINC000834125312 605631805 /nfs/dbraw/zinc/63/18/05/605631805.db2.gz CVVSJNBOYIJEOY-NSHDSACASA-N -1 0 301.306 1.319 20 50 DDGDRM O=C([O-])N1CCO[C@@H](C(=O)NNc2cccc3c2CCCC3)C1 ZINC000834048929 605735234 /nfs/dbraw/zinc/73/52/34/605735234.db2.gz PGIDYSBEGQCXFO-CQSZACIVSA-N -1 0 319.361 1.387 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000834047105 605741952 /nfs/dbraw/zinc/74/19/52/605741952.db2.gz GJVIAIHCALOQBH-VIFPVBQESA-N -1 0 319.745 1.975 20 50 DDGDRM CO[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1(C)C ZINC000833719688 605747283 /nfs/dbraw/zinc/74/72/83/605747283.db2.gz SPTQNSCFECTPAF-RYUDHWBXSA-N -1 0 307.350 1.824 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCN(Cc2ccccc2)C1 ZINC000834230570 605801024 /nfs/dbraw/zinc/80/10/24/605801024.db2.gz WSJQHNJOZIICEX-UHFFFAOYSA-N -1 0 318.377 1.412 20 50 DDGDRM CCCCNC(=O)NNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826841737 605808152 /nfs/dbraw/zinc/80/81/52/605808152.db2.gz AZWQSELWIJAKFX-UHFFFAOYSA-N -1 0 308.338 1.829 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)CCCCNC(=O)[O-])c1 ZINC000833969556 605929749 /nfs/dbraw/zinc/92/97/49/605929749.db2.gz BMJOIGCSVGMUIG-UHFFFAOYSA-N -1 0 311.729 1.488 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1ccoc1 ZINC000833832471 606026531 /nfs/dbraw/zinc/02/65/31/606026531.db2.gz WIWBQAIADRHBNJ-IINYFYTJSA-N -1 0 309.322 1.257 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)Cc2ccccc2F)C1 ZINC000834013765 606053257 /nfs/dbraw/zinc/05/32/57/606053257.db2.gz UEXXYLMKVZWSNX-NSHDSACASA-N -1 0 307.325 1.860 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2cccc3cnccc32)cn1 ZINC000834277618 606060695 /nfs/dbraw/zinc/06/06/95/606060695.db2.gz ONHMMYFJYOBUSK-UHFFFAOYSA-N -1 0 324.300 1.872 20 50 DDGDRM O=C([O-])Nc1ccccc1CC(=O)NNc1ccncc1Cl ZINC000834275027 606099716 /nfs/dbraw/zinc/09/97/16/606099716.db2.gz XCOVWSFXWKTTFC-UHFFFAOYSA-N -1 0 320.736 1.933 20 50 DDGDRM O=C(CCC1CCC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826405420 608574602 /nfs/dbraw/zinc/57/46/02/608574602.db2.gz FFEPSVJIIKCZQN-UHFFFAOYSA-N -1 0 321.772 1.939 20 50 DDGDRM CC(=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CC1 ZINC000823944003 608575465 /nfs/dbraw/zinc/57/54/65/608575465.db2.gz WTHQIHVLIGCVOH-QPJJXVBHSA-N -1 0 319.756 1.715 20 50 DDGDRM CSC=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826226753 608625440 /nfs/dbraw/zinc/62/54/40/608625440.db2.gz FUHKYGUDRQLBCG-NSCUHMNNSA-N -1 0 311.758 1.235 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(O)c1 ZINC000832912129 601209618 /nfs/dbraw/zinc/20/96/18/601209618.db2.gz VEKQEDRPFVMQHN-QWRGUYRKSA-N -1 0 320.345 1.353 20 50 DDGDRM Cc1ccc(NC(=S)NNC(=O)[C@H](C)CC(=O)[O-])cc1C ZINC000832949056 602266539 /nfs/dbraw/zinc/26/65/39/602266539.db2.gz NDYDTEOGNNMLLH-SNVBAGLBSA-N -1 0 309.391 1.732 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)CN(CC2CC2)C(=O)[O-])o1 ZINC000824483035 602764347 /nfs/dbraw/zinc/76/43/47/602764347.db2.gz VILMJSWCOZXTFB-UHFFFAOYSA-N -1 0 321.337 1.503 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1cccc2ccccc21)NC(=O)[O-] ZINC000824671978 602986332 /nfs/dbraw/zinc/98/63/32/602986332.db2.gz OOKYEFKEPXDBOS-JTQLQIEISA-N -1 0 315.329 1.647 20 50 DDGDRM N#Cc1ccc(C(=O)NN=Cc2ccc(NC(=O)[O-])nc2)cc1 ZINC000831122863 603487799 /nfs/dbraw/zinc/48/77/99/603487799.db2.gz UNZSPVAMYHFYLK-UHFFFAOYSA-N -1 0 309.285 1.807 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2cnnc3ccccc32)C1 ZINC000831909257 603895302 /nfs/dbraw/zinc/89/53/02/603895302.db2.gz XSOCDSRAYNYHPO-AWEZNQCLSA-N -1 0 319.296 1.165 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000824171395 603934090 /nfs/dbraw/zinc/93/40/90/603934090.db2.gz ZOINQHUFRBCKGI-NWDGAFQWSA-N -1 0 313.398 1.787 20 50 DDGDRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(F)cc1 ZINC000832472788 604178653 /nfs/dbraw/zinc/17/86/53/604178653.db2.gz AGIWSWZFNSAWDB-SKDRFNHKSA-N -1 0 310.329 1.888 20 50 DDGDRM CN(C)c1ccc(N2CCC(NC(=O)NNC(=O)[O-])CC2)cc1 ZINC000828067120 604191283 /nfs/dbraw/zinc/19/12/83/604191283.db2.gz FOXCERFCRRJQIZ-UHFFFAOYSA-N -1 0 321.381 1.203 20 50 DDGDRM Cc1cc(-c2noc([C@H](C)NC(=O)NNC(=O)[O-])n2)ccc1F ZINC000829888880 604823967 /nfs/dbraw/zinc/82/39/67/604823967.db2.gz JVLHZQUVMVNENN-ZETCQYMHSA-N -1 0 323.284 1.727 20 50 DDGDRM CN(CCCC(=O)NN=c1nc[nH]c2ccsc21)C(=O)[O-] ZINC000828285061 605125114 /nfs/dbraw/zinc/12/51/14/605125114.db2.gz JWLJSUVISCLDDX-UHFFFAOYSA-N -1 0 309.351 1.524 20 50 DDGDRM Cc1cc(NNC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)ncn1 ZINC000830122688 605332234 /nfs/dbraw/zinc/33/22/34/605332234.db2.gz OQTLGJSYCXMPPV-JTQLQIEISA-N -1 0 321.381 1.644 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(Br)cc1F ZINC000834202524 605385042 /nfs/dbraw/zinc/38/50/42/605385042.db2.gz WZQFHOFFBCRYLJ-UHFFFAOYSA-N -1 0 318.102 1.306 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2ccncc2)ccc1NC(=O)[O-] ZINC000829962219 605416915 /nfs/dbraw/zinc/41/69/15/605416915.db2.gz XIWFAMGODPOHBX-UHFFFAOYSA-N -1 0 314.301 1.555 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(N2CCCC2)cc1O ZINC000833384105 605588814 /nfs/dbraw/zinc/58/88/14/605588814.db2.gz BVIYYTXPRZAOEV-UHFFFAOYSA-N -1 0 320.349 1.100 20 50 DDGDRM O=C([O-])NNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000834251316 605677925 /nfs/dbraw/zinc/67/79/25/605677925.db2.gz TUFYTIKZZSNHKA-UHFFFAOYSA-N -1 0 312.713 1.536 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1 ZINC000834049284 605737293 /nfs/dbraw/zinc/73/72/93/605737293.db2.gz ZNAOSVQSEGUUKD-JTQLQIEISA-N -1 0 315.276 1.874 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F ZINC000834048910 605739487 /nfs/dbraw/zinc/73/94/87/605739487.db2.gz VMJKFOPKCAGSHC-SECBINFHSA-N -1 0 321.280 1.600 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@H]1CCCC1=NNC(=O)c1ccc[nH]1 ZINC000834046149 605741527 /nfs/dbraw/zinc/74/15/27/605741527.db2.gz YEJOVAYSXCZQDA-GXFFZTMASA-N -1 0 320.349 1.279 20 50 DDGDRM COc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)n1 ZINC000833735275 605742425 /nfs/dbraw/zinc/74/24/25/605742425.db2.gz IRFQCBQIXPTDDQ-UHFFFAOYSA-N -1 0 316.317 1.615 20 50 DDGDRM CCCN(CCNC(=O)NNC(=O)[O-])C(=O)OC(C)(C)C ZINC000833854974 606015859 /nfs/dbraw/zinc/01/58/59/606015859.db2.gz IXJCJQVNCLUZQA-UHFFFAOYSA-N -1 0 304.347 1.115 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1 ZINC000833149300 600871066 /nfs/dbraw/zinc/87/10/66/600871066.db2.gz MAZFVOSFGMYRTH-KOLCDFICSA-N -1 0 324.764 1.992 20 50 DDGDRM O=C([O-])Nc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1 ZINC000832838047 601272284 /nfs/dbraw/zinc/27/22/84/601272284.db2.gz CYHWCKUEUWHOHJ-UHFFFAOYSA-N -1 0 314.301 1.175 20 50 DDGDRM CCOCC(=O)NN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000829940515 601974494 /nfs/dbraw/zinc/97/44/94/601974494.db2.gz TVCGUOIPGWOTGU-NSHDSACASA-N -1 0 321.160 1.776 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830555769 603435394 /nfs/dbraw/zinc/43/53/94/603435394.db2.gz ZJROJWJEWOIHHN-MNOVXSKESA-N -1 0 305.334 1.192 20 50 DDGDRM O=C(CCC1CCC1)NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000831424574 603448906 /nfs/dbraw/zinc/44/89/06/603448906.db2.gz SMQQDTPATIDPMF-UHFFFAOYSA-N -1 0 312.370 1.040 20 50 DDGDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NNC(=O)C1CCCC1 ZINC000824195689 603658656 /nfs/dbraw/zinc/65/86/56/603658656.db2.gz BQSWHWYIDUSRGH-LLVKDONJSA-N -1 0 314.386 1.189 20 50 DDGDRM CN(C[C@@H]1CCCN1C(=O)NNC(=O)c1ccccc1)C(=O)[O-] ZINC000828205618 603681917 /nfs/dbraw/zinc/68/19/17/603681917.db2.gz FKNIIQZBMZLKEB-LBPRGKRZSA-N -1 0 320.349 1.115 20 50 DDGDRM Cc1cc(=NNC(=O)C2(CNC(=O)[O-])CCCC2)nc(C)[nH]1 ZINC000830121648 603800424 /nfs/dbraw/zinc/80/04/24/603800424.db2.gz GOJAHZIJAQIVSG-UHFFFAOYSA-N -1 0 307.354 1.365 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cc1 ZINC000827577455 603816115 /nfs/dbraw/zinc/81/61/15/603816115.db2.gz NAHWSARTKDEQGI-HNNXBMFYSA-N -1 0 323.324 1.102 20 50 DDGDRM N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000831065901 604105262 /nfs/dbraw/zinc/10/52/62/604105262.db2.gz SZSMZUVGNITQCU-FSBNRTBOSA-N -1 0 316.313 1.985 20 50 DDGDRM O=C([O-])NCC1(C(=O)NN=c2[nH]cccc2[N+](=O)[O-])CCCC1 ZINC000832443104 604313533 /nfs/dbraw/zinc/31/35/33/604313533.db2.gz OQIISJDTVUGINZ-UHFFFAOYSA-N -1 0 323.309 1.261 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000824170191 604679020 /nfs/dbraw/zinc/67/90/20/604679020.db2.gz HIYZGZUYXVDTCI-NSHDSACASA-N -1 0 313.398 1.596 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccncc1 ZINC000833408539 605041247 /nfs/dbraw/zinc/04/12/47/605041247.db2.gz ZRHQGFCDIJYZDX-LLVKDONJSA-N -1 0 300.318 1.222 20 50 DDGDRM CCOc1ccc(/C=C(/C#N)C(=O)N(CC)CC(=O)[O-])cc1 ZINC000833664146 605061171 /nfs/dbraw/zinc/06/11/71/605061171.db2.gz PGNFQEHHJSHIHU-LCYFTJDESA-N -1 0 302.330 1.925 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1cccnc1Cl ZINC000824211991 605158936 /nfs/dbraw/zinc/15/89/36/605158936.db2.gz WPMNRHPZLOZEOR-VIFPVBQESA-N -1 0 300.746 1.860 20 50 DDGDRM O=C([O-])NCC(=O)NN=C(CC(F)(F)F)c1ccccc1 ZINC000834199800 605386005 /nfs/dbraw/zinc/38/60/05/605386005.db2.gz NTOMTUCDLKZYBD-UHFFFAOYSA-N -1 0 303.240 1.727 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CC[C@H]2CCN(C(=O)[O-])C2)c(C)o1 ZINC000833899040 605389084 /nfs/dbraw/zinc/38/90/84/605389084.db2.gz WKVTUVORGJSZCY-NSHDSACASA-N -1 0 323.349 1.438 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl ZINC000834205345 605406792 /nfs/dbraw/zinc/40/67/92/605406792.db2.gz YREJAYDZWJCCLL-UHFFFAOYSA-N -1 0 321.120 1.414 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)c1cccc(Br)c1 ZINC000832605358 605467249 /nfs/dbraw/zinc/46/72/49/605467249.db2.gz SPLGYSXJDOXRHQ-UHFFFAOYSA-N -1 0 314.139 1.822 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NN=c2[nH]c3ccccc3[nH]2)C1 ZINC000834171730 605508586 /nfs/dbraw/zinc/50/85/86/605508586.db2.gz WGCLEVIYEAZLIW-DTWKUNHWSA-N -1 0 303.322 1.442 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000833970898 605515421 /nfs/dbraw/zinc/51/54/21/605515421.db2.gz WVWVMTUYESQLRN-MRVPVSSYSA-N -1 0 309.713 1.050 20 50 DDGDRM C=CCOc1ccc(C=NNC(=O)NCC(=O)[O-])cc1Cl ZINC000833377552 605589202 /nfs/dbraw/zinc/58/92/02/605589202.db2.gz BECQKGGSLSHQPD-UHFFFAOYSA-N -1 0 311.725 1.623 20 50 DDGDRM C[C@H]1CCN(Cc2ccccc2)CC1=NNC(=O)NCC(=O)[O-] ZINC000833616119 605590904 /nfs/dbraw/zinc/59/09/04/605590904.db2.gz QDVQHHAWWZZFCV-LBPRGKRZSA-N -1 0 318.377 1.268 20 50 DDGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNc1cnccn1 ZINC000832359622 605612430 /nfs/dbraw/zinc/61/24/30/605612430.db2.gz NYHSMQSIDVSOFK-MNOVXSKESA-N -1 0 307.354 1.526 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)COc1ccc(C#N)cc1 ZINC000833801884 605622109 /nfs/dbraw/zinc/62/21/09/605622109.db2.gz NDDYTIJGCRQYCJ-SNVBAGLBSA-N -1 0 318.333 1.475 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000833801648 605624977 /nfs/dbraw/zinc/62/49/77/605624977.db2.gz LFWOLKPHNZIMFP-RNCFNFMXSA-N -1 0 305.334 1.528 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)N1CCOCC1 ZINC000834045721 605723302 /nfs/dbraw/zinc/72/33/02/605723302.db2.gz SRPVEZUPRHDALY-WCQYABFASA-N -1 0 324.381 1.327 20 50 DDGDRM Cn1nnc2cc(C(=O)NNc3cccc(C(=O)[O-])c3)ccc21 ZINC000833759669 605731819 /nfs/dbraw/zinc/73/18/19/605731819.db2.gz PMJAQKSAVPTDDT-UHFFFAOYSA-N -1 0 311.301 1.423 20 50 DDGDRM CC(=O)NC1(C(=O)NNc2cccc(C(=O)[O-])c2)CCCCC1 ZINC000833396044 605773270 /nfs/dbraw/zinc/77/32/70/605773270.db2.gz NTRBHISHOPYGHQ-UHFFFAOYSA-N -1 0 319.361 1.667 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=CC1=Cc2ccccc2OC1 ZINC000834228630 605800197 /nfs/dbraw/zinc/80/01/97/605800197.db2.gz MOQUUYTZGVOTIQ-UHFFFAOYSA-N -1 0 303.318 1.612 20 50 DDGDRM CC[C@H](NC(=O)[O-])C(=O)NNc1ccc(OC)cc1[N+](=O)[O-] ZINC000827524364 605801487 /nfs/dbraw/zinc/80/14/87/605801487.db2.gz IGMQALLNALVIBH-QMMMGPOBSA-N -1 0 312.282 1.093 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)c1csc2c1CCCC2 ZINC000834228903 605843965 /nfs/dbraw/zinc/84/39/65/605843965.db2.gz UDGZUEHOUPIZGN-UHFFFAOYSA-N -1 0 311.363 1.046 20 50 DDGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2ccc(Cl)nc2)CC1 ZINC000834047252 605939735 /nfs/dbraw/zinc/93/97/35/605939735.db2.gz ISBCYCISBGJOPN-JTQLQIEISA-N -1 0 324.768 1.958 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1CCc2c1cc(F)cc2F ZINC000834243649 605955731 /nfs/dbraw/zinc/95/57/31/605955731.db2.gz QKGSQOWTOVGINN-UHFFFAOYSA-N -1 0 312.276 1.182 20 50 DDGDRM Cc1ccc2[nH]c(C(=O)NNC(=O)CCCNC(=O)[O-])cc2c1 ZINC000833907691 605977074 /nfs/dbraw/zinc/97/70/74/605977074.db2.gz QLLFBJBSYHPNHB-UHFFFAOYSA-N -1 0 318.333 1.285 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1ccncc1 ZINC000833825405 605997667 /nfs/dbraw/zinc/99/76/67/605997667.db2.gz BROTXPNITVHVLS-ABAIWWIYSA-N -1 0 320.349 1.059 20 50 DDGDRM CC1=C(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CCC1 ZINC000824851632 608624867 /nfs/dbraw/zinc/62/48/67/608624867.db2.gz BDMPASOLDRUDME-UHFFFAOYSA-N -1 0 319.756 1.859 20 50 DDGDRM O=C([N-]Nc1ccc(-c2nn[nH]n2)cc1)C(F)(F)C(F)F ZINC000826446126 607350514 /nfs/dbraw/zinc/35/05/14/607350514.db2.gz AQJAFWXFCWXQDH-UHFFFAOYSA-N -1 0 304.207 1.210 20 50 DDGDRM CCOC(=O)C(C#N)=CNc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829818095 600669627 /nfs/dbraw/zinc/66/96/27/600669627.db2.gz PRSINNFDVVHKQK-HJWRWDBZSA-N -1 0 318.285 1.554 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000833185594 600870896 /nfs/dbraw/zinc/87/08/96/600870896.db2.gz XWMBTHKIYDVQMJ-ZJUUUORDSA-N -1 0 307.306 1.929 20 50 DDGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000833179627 602272448 /nfs/dbraw/zinc/27/24/48/602272448.db2.gz UAUNRKAUZXDERV-IUCAKERBSA-N -1 0 304.224 1.749 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000823822397 603217476 /nfs/dbraw/zinc/21/74/76/603217476.db2.gz HXGZIDKLHLTQFX-LLVKDONJSA-N -1 0 323.349 1.594 20 50 DDGDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NNc1ccc(F)cc1 ZINC000826116095 603645252 /nfs/dbraw/zinc/64/52/52/603645252.db2.gz ORYRLPSQTRJFKU-LDYMZIIASA-N -1 0 311.313 1.772 20 50 DDGDRM CN(C[C@H]1CCCN1C(=O)NNC(=O)c1ccccc1)C(=O)[O-] ZINC000828205617 603681882 /nfs/dbraw/zinc/68/18/82/603681882.db2.gz FKNIIQZBMZLKEB-GFCCVEGCSA-N -1 0 320.349 1.115 20 50 DDGDRM CCOc1cccc(CNC(=O)NNC(=O)[O-])c1OC(F)F ZINC000827447687 603770025 /nfs/dbraw/zinc/77/00/25/603770025.db2.gz BASMCJNGNVWXOH-UHFFFAOYSA-N -1 0 319.264 1.669 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)CCC1CCCCC1 ZINC000824868310 604146635 /nfs/dbraw/zinc/14/66/35/604146635.db2.gz LVSMNHFQMJDUFY-NSHDSACASA-N -1 0 313.398 1.740 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)C1CCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824670971 604351552 /nfs/dbraw/zinc/35/15/52/604351552.db2.gz CLIYUWWPTBYPOC-CMPLNLGQSA-N -1 0 311.382 1.350 20 50 DDGDRM O=C([O-])c1ccc(=NNC(=O)Cc2csc3nccn23)[nH]c1 ZINC000833765489 604803898 /nfs/dbraw/zinc/80/38/98/604803898.db2.gz QBRSWFUAVBDBNL-UHFFFAOYSA-N -1 0 317.330 1.175 20 50 DDGDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)NNc1ccccc1 ZINC000826124226 604891957 /nfs/dbraw/zinc/89/19/57/604891957.db2.gz AYJMFQYREMMVJY-JQWIXIFHSA-N -1 0 322.365 1.816 20 50 DDGDRM CC(C)Nc1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cn1 ZINC000833504998 604915517 /nfs/dbraw/zinc/91/55/17/604915517.db2.gz TVVZEHPBUHHROP-UHFFFAOYSA-N -1 0 315.333 1.752 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1ccc2ccccc2n1)c1cccnc1 ZINC000833148946 604988461 /nfs/dbraw/zinc/98/84/61/604988461.db2.gz BLXXMONTNDVQLX-HNNXBMFYSA-N -1 0 322.324 1.690 20 50 DDGDRM C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833535672 605260551 /nfs/dbraw/zinc/26/05/51/605260551.db2.gz LMHASEBAOAYUIO-MNOVXSKESA-N -1 0 308.334 1.412 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNc1ccccn1)c1ccccc1 ZINC000834126207 605324814 /nfs/dbraw/zinc/32/48/14/605324814.db2.gz IVBMEGMSSLVECY-LBPRGKRZSA-N -1 0 300.318 1.924 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NN=c1[nH]c2ccccc2[nH]1 ZINC000834136134 605508529 /nfs/dbraw/zinc/50/85/29/605508529.db2.gz QJPRXJIZKYDMAV-MRVPVSSYSA-N -1 0 313.264 1.297 20 50 DDGDRM CC(C)(C)OC(=O)C1CCC(=NNC(=O)NCC(=O)[O-])CC1 ZINC000833431218 605588188 /nfs/dbraw/zinc/58/81/88/605588188.db2.gz QFBRVFHVLNFHKC-UHFFFAOYSA-N -1 0 313.354 1.258 20 50 DDGDRM N#Cc1ccc(NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000833973986 605718934 /nfs/dbraw/zinc/71/89/34/605718934.db2.gz DPZVIBZNDHZCIW-ZDUSSCGKSA-N -1 0 318.333 1.160 20 50 DDGDRM O=C([O-])N[C@@H]1CC(=NNC(=O)c2cccnc2)c2ccccc21 ZINC000834156719 605739144 /nfs/dbraw/zinc/73/91/44/605739144.db2.gz CFIRPWGJXFWDDU-CYBMUJFWSA-N -1 0 310.313 1.928 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000834046600 605741709 /nfs/dbraw/zinc/74/17/09/605741709.db2.gz BSSSKPDYHHKXCO-JTQLQIEISA-N -1 0 317.704 1.301 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000834046603 605741774 /nfs/dbraw/zinc/74/17/74/605741774.db2.gz BSSSKPDYHHKXCO-SNVBAGLBSA-N -1 0 317.704 1.301 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccccc1OC(F)(F)F ZINC000834226966 605749440 /nfs/dbraw/zinc/74/94/40/605749440.db2.gz FPWJTGSQJQNQNY-UHFFFAOYSA-N -1 0 319.239 1.693 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cnn(Cc2ccccc2)c1 ZINC000834226752 605752573 /nfs/dbraw/zinc/75/25/73/605752573.db2.gz ABTWGMSTYABTGR-UHFFFAOYSA-N -1 0 315.333 1.039 20 50 DDGDRM Cn1c(C=NNC(=O)CCCNC(=O)[O-])nc2ccccc21 ZINC000833940907 605798687 /nfs/dbraw/zinc/79/86/87/605798687.db2.gz DTHRBKGJZSPFHM-UHFFFAOYSA-N -1 0 303.322 1.071 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000823761095 605807721 /nfs/dbraw/zinc/80/77/21/605807721.db2.gz YMPBSRBHLCKUOU-VIFPVBQESA-N -1 0 317.411 1.056 20 50 DDGDRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2ccc(Cl)nc2)CC1 ZINC000834047253 605939859 /nfs/dbraw/zinc/93/98/59/605939859.db2.gz ISBCYCISBGJOPN-SNVBAGLBSA-N -1 0 324.768 1.958 20 50 DDGDRM CCC[C@@H](C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825233081 608571544 /nfs/dbraw/zinc/57/15/44/608571544.db2.gz MXZDSYQLLQUXBA-SSDOTTSWSA-N -1 0 309.761 1.794 20 50 DDGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)Cc3ccncc3)c2c1 ZINC000833118129 601338353 /nfs/dbraw/zinc/33/83/53/601338353.db2.gz KMGLZQDMBMTAKM-UHFFFAOYSA-N -1 0 322.324 1.954 20 50 DDGDRM CCOC(=O)C(C#N)=CN[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000829817160 601353173 /nfs/dbraw/zinc/35/31/73/601353173.db2.gz BKVAJKVXZQKVKF-IEZBTEQYSA-N -1 0 318.329 1.771 20 50 DDGDRM Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)CC(=O)[O-])c1C ZINC000832972561 602070489 /nfs/dbraw/zinc/07/04/89/602070489.db2.gz FCRGMGCGAXXLLN-PWSUYJOCSA-N -1 0 322.361 1.329 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)C[C@@H]2CCCN2C(=O)[O-])c(C)o1 ZINC000829957126 603221885 /nfs/dbraw/zinc/22/18/85/603221885.db2.gz XEMDWGOZXFRFBD-JTQLQIEISA-N -1 0 309.322 1.190 20 50 DDGDRM N#Cc1cccc(C(=O)NN=Cc2ccc(NC(=O)[O-])nc2)c1 ZINC000831145815 603487906 /nfs/dbraw/zinc/48/79/06/603487906.db2.gz AVMNUXBEFUXZEW-UHFFFAOYSA-N -1 0 309.285 1.807 20 50 DDGDRM C[C@@H](NC(=S)NNC(=O)c1cccc(NC(=O)[O-])c1)C1CC1 ZINC000825464010 603611347 /nfs/dbraw/zinc/61/13/47/603611347.db2.gz BILKMMZPYYUKLX-MRVPVSSYSA-N -1 0 322.390 1.684 20 50 DDGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccccc1 ZINC000824195952 603657363 /nfs/dbraw/zinc/65/73/63/603657363.db2.gz FUAKRWYLSKOTHW-LBPRGKRZSA-N -1 0 322.365 1.313 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2ccncc2Cl)C1 ZINC000832326734 603806005 /nfs/dbraw/zinc/80/60/05/603806005.db2.gz UKTFPHKTJGWUTO-RKDXNWHRSA-N -1 0 312.757 1.426 20 50 DDGDRM Cc1n[nH]cc1C(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000830676811 603822705 /nfs/dbraw/zinc/82/27/05/603822705.db2.gz AHRJBMNWHBXSGN-UHFFFAOYSA-N -1 0 313.317 1.523 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NN=c1nccc[nH]1 ZINC000832361702 603953821 /nfs/dbraw/zinc/95/38/21/603953821.db2.gz XOLLBQHJGWRKOS-GHMZBOCLSA-N -1 0 307.354 1.526 20 50 DDGDRM COc1ccc(NNC(=O)CC2CCN(C(=O)[O-])CC2)cc1 ZINC000829484101 604222363 /nfs/dbraw/zinc/22/23/63/604222363.db2.gz OKUPGXSPCFDYIQ-UHFFFAOYSA-N -1 0 307.350 1.918 20 50 DDGDRM CCN(CC)c1cc[nH]c(=NNC(=O)[C@@H](C)CN(C)C(=O)[O-])n1 ZINC000827052815 604272745 /nfs/dbraw/zinc/27/27/45/604272745.db2.gz YMWYQZMWVQXJHI-JTQLQIEISA-N -1 0 324.385 1.012 20 50 DDGDRM CCOC(=O)NNC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827329557 604283884 /nfs/dbraw/zinc/28/38/84/604283884.db2.gz XISKKZZSKOOYGS-UWVGGRQHSA-N -1 0 301.343 1.180 20 50 DDGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)C2(NC(=O)[O-])CC2)cc1 ZINC000823859363 604419101 /nfs/dbraw/zinc/41/91/01/604419101.db2.gz MPAUARLJRLAHSW-UHFFFAOYSA-N -1 0 319.361 1.545 20 50 DDGDRM Cc1cc(C)c(C=NNC(=O)NC2CCN(C(=O)[O-])CC2)[nH]1 ZINC000829986681 604420190 /nfs/dbraw/zinc/42/01/90/604420190.db2.gz RUPJSTVZINIXSS-UHFFFAOYSA-N -1 0 307.354 1.407 20 50 DDGDRM CC(=NNC(=O)CO)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000833384126 605202548 /nfs/dbraw/zinc/20/25/48/605202548.db2.gz CMJJAEVKEGMZMV-UHFFFAOYSA-N -1 0 307.331 1.135 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NN=c1[nH]cccc1Cl ZINC000834136738 605314992 /nfs/dbraw/zinc/31/49/92/605314992.db2.gz VYVSUXICJGRFQT-LURJTMIESA-N -1 0 308.672 1.470 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CCSc2ccc(Cl)cc21 ZINC000834200054 605383557 /nfs/dbraw/zinc/38/35/57/605383557.db2.gz VZJUIHRIZKHGIS-UHFFFAOYSA-N -1 0 313.766 1.924 20 50 DDGDRM COc1ccc2cc(C=NNC(=O)CNC(=O)[O-])ccc2c1 ZINC000833892691 605385167 /nfs/dbraw/zinc/38/51/67/605385167.db2.gz WTRQVQUNZVXSFO-UHFFFAOYSA-N -1 0 301.302 1.566 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000831464685 605408287 /nfs/dbraw/zinc/40/82/87/605408287.db2.gz WFGQDVYULKWLSD-UHFFFAOYSA-N -1 0 308.294 1.428 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)CN(CC2CC2)C(=O)[O-])c1 ZINC000833970689 605515309 /nfs/dbraw/zinc/51/53/09/605515309.db2.gz RBORBPLTAFAMPU-UHFFFAOYSA-N -1 0 323.740 1.440 20 50 DDGDRM CC(C)CCOc1ccc(C=NNC(=O)NCC(=O)[O-])cc1 ZINC000833484557 605595124 /nfs/dbraw/zinc/59/51/24/605595124.db2.gz SMVCDVRHTYQLSR-UHFFFAOYSA-N -1 0 307.350 1.829 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)c1ccoc1)c1ccccc1 ZINC000834127687 605602073 /nfs/dbraw/zinc/60/20/73/605602073.db2.gz RMQDRIFWSDWZAV-LBPRGKRZSA-N -1 0 317.301 1.440 20 50 DDGDRM N#Cc1cccc(NNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000833976248 605715494 /nfs/dbraw/zinc/71/54/94/605715494.db2.gz KTNIUVKGXYMRSL-NWDGAFQWSA-N -1 0 302.334 1.828 20 50 DDGDRM CC(C)(C)N1C[C@H](C(=O)NNc2ccccc2C(=O)[O-])CC1=O ZINC000833431690 605721261 /nfs/dbraw/zinc/72/12/61/605721261.db2.gz UUXUKBBUAAUNCY-SNVBAGLBSA-N -1 0 319.361 1.475 20 50 DDGDRM CC(C)NC(=O)CCCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833501853 605723799 /nfs/dbraw/zinc/72/37/99/605723799.db2.gz KNCHWZNLUBYDGV-UHFFFAOYSA-N -1 0 307.350 1.523 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NNc1cccc2cnccc21 ZINC000834046788 605737593 /nfs/dbraw/zinc/73/75/93/605737593.db2.gz CTTHHSLVVUKFMC-ZDUSSCGKSA-N -1 0 300.318 1.820 20 50 DDGDRM CC1(C)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000833555065 605743839 /nfs/dbraw/zinc/74/38/39/605743839.db2.gz FJQDVTVCOWTVLB-UPJWGTAASA-N -1 0 319.361 1.824 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)C[C@H]1CCCc2ccccc21 ZINC000834226990 605842251 /nfs/dbraw/zinc/84/22/51/605842251.db2.gz GYRZDFFQCLHVRQ-GFCCVEGCSA-N -1 0 319.361 1.302 20 50 DDGDRM O=C([O-])Nc1ncccc1C=NNC(=O)NCc1ccco1 ZINC000834280968 605955740 /nfs/dbraw/zinc/95/57/40/605955740.db2.gz YGYRQHMTKICYEO-UHFFFAOYSA-N -1 0 303.278 1.598 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000834045664 606051729 /nfs/dbraw/zinc/05/17/29/606051729.db2.gz RYIMUJOKARNCHC-FZMZJTMJSA-N -1 0 317.345 1.482 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834134385 606079297 /nfs/dbraw/zinc/07/92/97/606079297.db2.gz IYLSNWSKMXELBY-MRVPVSSYSA-N -1 0 318.236 1.329 20 50 DDGDRM O=C([O-])NCC(=O)NNc1ccc(Br)cc1F ZINC000833777144 605719413 /nfs/dbraw/zinc/71/94/13/605719413.db2.gz FHNMZTGRDJTVKE-UHFFFAOYSA-N -1 0 306.091 1.299 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)CCc1ccco1)c1ccccc1F ZINC000833103595 600745804 /nfs/dbraw/zinc/74/58/04/600745804.db2.gz VLHCJUONCXHFJC-CQSZACIVSA-N -1 0 306.293 1.798 20 50 DDGDRM CCNC(=O)N1CCc2ccc(NC(=O)NNC(=O)[O-])cc21 ZINC000829799144 600845157 /nfs/dbraw/zinc/84/51/57/600845157.db2.gz FAFFDYXEZSYNNK-UHFFFAOYSA-N -1 0 307.310 1.083 20 50 DDGDRM N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833061360 601447745 /nfs/dbraw/zinc/44/77/45/601447745.db2.gz AJTBDQKGNQBHME-RUJPKEBESA-N -1 0 305.265 1.958 20 50 DDGDRM COc1cc(OC)cc([C@@H](NNC(=O)CC(C)(C)C)C(=O)[O-])c1 ZINC000832057336 602171740 /nfs/dbraw/zinc/17/17/40/602171740.db2.gz OISWZRAACIUQAB-CQSZACIVSA-N -1 0 324.377 1.887 20 50 DDGDRM CC(C)[C@H](C(=O)NNC(=O)NCCNC(=O)[O-])c1ccccc1 ZINC000824054903 602942686 /nfs/dbraw/zinc/94/26/86/602942686.db2.gz DJTQESXOVWMWDL-LBPRGKRZSA-N -1 0 322.365 1.024 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNC(=O)CC2CCCC2)C1 ZINC000832325895 603541841 /nfs/dbraw/zinc/54/18/41/603541841.db2.gz OQCYUKHPXXMQDT-NWDGAFQWSA-N -1 0 311.382 1.541 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)C(C)(C)CNC(=O)[O-])o1 ZINC000824482168 603645759 /nfs/dbraw/zinc/64/57/59/603645759.db2.gz ILLQTRGATSLDOW-UHFFFAOYSA-N -1 0 309.326 1.407 20 50 DDGDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NN=c1ccc(C)c[nH]1 ZINC000826794782 603891919 /nfs/dbraw/zinc/89/19/19/603891919.db2.gz JVFZPHFXMHEJNQ-NSHDSACASA-N -1 0 309.370 1.843 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000830764900 603919546 /nfs/dbraw/zinc/91/95/46/603919546.db2.gz OEYZZRRKCZSRDX-SFYZADRCSA-N -1 0 313.745 1.318 20 50 DDGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000829226280 604138705 /nfs/dbraw/zinc/13/87/05/604138705.db2.gz XWLIILHXMMKNLM-MRVPVSSYSA-N -1 0 312.278 1.755 20 50 DDGDRM C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)CCCc1ccccc1 ZINC000824868696 604146708 /nfs/dbraw/zinc/14/67/08/604146708.db2.gz PTXYVKSPKHAOTB-GFCCVEGCSA-N -1 0 321.377 1.403 20 50 DDGDRM N#Cc1cccc(NNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831153051 604176227 /nfs/dbraw/zinc/17/62/27/604176227.db2.gz VWHPZUDEVYGPGB-WCQYABFASA-N -1 0 317.349 1.621 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccccc2C(F)(F)F)CC1 ZINC000832175704 604419320 /nfs/dbraw/zinc/41/93/20/604419320.db2.gz KHUSPYVWRLUZOL-UHFFFAOYSA-N -1 0 303.240 1.949 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1cc(C#N)cc(Cl)n1 ZINC000833454115 604607483 /nfs/dbraw/zinc/60/74/83/604607483.db2.gz CHGQHQMOJXBYQS-UHFFFAOYSA-N -1 0 310.741 1.941 20 50 DDGDRM CN(CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)C(=O)OC(C)(C)C ZINC000833691405 604803834 /nfs/dbraw/zinc/80/38/34/604803834.db2.gz FDNYSJNSJNRDGA-UHFFFAOYSA-N -1 0 324.337 1.090 20 50 DDGDRM CC(C)Oc1cncc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1 ZINC000833507730 604806767 /nfs/dbraw/zinc/80/67/67/604806767.db2.gz FBPLZCGVBKCJTL-UHFFFAOYSA-N -1 0 316.317 1.719 20 50 DDGDRM C=CCNc1ncc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)s1 ZINC000833376202 604914685 /nfs/dbraw/zinc/91/46/85/604914685.db2.gz XDBBISGSHKJSPS-UHFFFAOYSA-N -1 0 319.346 1.591 20 50 DDGDRM CNC(=O)c1cccc(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833700714 605261016 /nfs/dbraw/zinc/26/10/16/605261016.db2.gz QDLRNDUAEBKOGD-UHFFFAOYSA-N -1 0 313.313 1.501 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)CNC(=O)OC(C)(C)C ZINC000833801253 605379826 /nfs/dbraw/zinc/37/98/26/605379826.db2.gz HSNDNWBCIXODGS-MRVPVSSYSA-N -1 0 316.358 1.049 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1CCSc2c(Cl)cccc21 ZINC000834200049 605383801 /nfs/dbraw/zinc/38/38/01/605383801.db2.gz VYONIHLEASNXOO-UHFFFAOYSA-N -1 0 313.766 1.924 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000834203603 605458932 /nfs/dbraw/zinc/45/89/32/605458932.db2.gz UTDCDEHAKKIXQT-UHFFFAOYSA-N -1 0 306.105 1.022 20 50 DDGDRM COCCCNC(=O)NN=C(C)C[C@H]1CCCN1C(=O)[O-] ZINC000828950015 605464071 /nfs/dbraw/zinc/46/40/71/605464071.db2.gz BPDFOMMCZCZYTD-LLVKDONJSA-N -1 0 300.359 1.231 20 50 DDGDRM CC1(C)C(=NNC(=O)NCC(=O)[O-])C[C@@H]1OCc1ccccc1 ZINC000833554692 605585455 /nfs/dbraw/zinc/58/54/55/605585455.db2.gz GJHBDYJSXPFYSJ-ZDUSSCGKSA-N -1 0 319.361 1.742 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)C1CCC1)c1ccccc1 ZINC000834127140 605609901 /nfs/dbraw/zinc/60/99/01/605609901.db2.gz NKFCNZOALVEFPQ-GFCCVEGCSA-N -1 0 305.334 1.333 20 50 DDGDRM CN(C)c1cc(C(=O)NNc2cccc(C(=O)[O-])c2)ccn1 ZINC000833692271 605733371 /nfs/dbraw/zinc/73/33/71/605733371.db2.gz ZLQRZBWSKLPGEK-UHFFFAOYSA-N -1 0 300.318 1.603 20 50 DDGDRM C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833537254 605735449 /nfs/dbraw/zinc/73/54/49/605735449.db2.gz ZEIRHJGUSLYWDV-GWCFXTLKSA-N -1 0 308.334 1.412 20 50 DDGDRM CC(C)N1CC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1=O ZINC000833500736 605743127 /nfs/dbraw/zinc/74/31/27/605743127.db2.gz SQXCFNTYBYRHQL-GFCCVEGCSA-N -1 0 320.349 1.020 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CSCc2ccccc21 ZINC000834228256 605799714 /nfs/dbraw/zinc/79/97/14/605799714.db2.gz CGLBDBUGBNHUJE-UHFFFAOYSA-N -1 0 307.375 1.802 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000834228716 605800281 /nfs/dbraw/zinc/80/02/81/605800281.db2.gz OOBMOWNHMQGNQH-TZNHEPQFSA-N -1 0 320.305 1.758 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000834137097 606079018 /nfs/dbraw/zinc/07/90/18/606079018.db2.gz ZPVDJMCJGVADOK-QMMMGPOBSA-N -1 0 318.236 1.329 20 50 DDGDRM O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)NC1CCCCC1 ZINC000833149348 600871073 /nfs/dbraw/zinc/87/10/73/600871073.db2.gz NTKZEOCXYNQFFO-GHMZBOCLSA-N -1 0 311.382 1.541 20 50 DDGDRM Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000832951694 601336519 /nfs/dbraw/zinc/33/65/19/601336519.db2.gz UKOIJDQIDAXPIT-UHFFFAOYSA-N -1 0 301.302 1.550 20 50 DDGDRM C/C(=C/COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)[O-] ZINC000825745613 601413094 /nfs/dbraw/zinc/41/30/94/601413094.db2.gz ASKALMGLLFGHMG-JHGLROMCSA-N -1 0 313.313 1.686 20 50 DDGDRM CN(C)c1cc(CNC(=O)NNC(=O)[O-])c2ccccc2n1 ZINC000828056765 603442108 /nfs/dbraw/zinc/44/21/08/603442108.db2.gz VQQXFFAHIQUTTF-UHFFFAOYSA-N -1 0 303.322 1.283 20 50 DDGDRM O=C([O-])NNC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000832748074 603467974 /nfs/dbraw/zinc/46/79/74/603467974.db2.gz DJPFPFJSKIYAAQ-UHFFFAOYSA-N -1 0 309.656 1.923 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NNC(=O)CC2CCCC2)C1 ZINC000832325896 603542140 /nfs/dbraw/zinc/54/21/40/603542140.db2.gz OQCYUKHPXXMQDT-RYUDHWBXSA-N -1 0 311.382 1.541 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NCC[C@H](C)NC(=O)[O-] ZINC000830871238 603722058 /nfs/dbraw/zinc/72/20/58/603722058.db2.gz RBGRWZOJRATIPL-QMMMGPOBSA-N -1 0 316.789 1.515 20 50 DDGDRM Cc1nc(CC(=O)NN=CC2CCN(C(=O)[O-])CC2)cs1 ZINC000830739515 603855589 /nfs/dbraw/zinc/85/55/89/603855589.db2.gz YNGSTFJHZGLBNG-UHFFFAOYSA-N -1 0 310.379 1.486 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2c(F)cccc2F)C1 ZINC000831907983 603903855 /nfs/dbraw/zinc/90/38/55/603903855.db2.gz MZFWHAZJHUBRAI-LBPRGKRZSA-N -1 0 303.240 1.500 20 50 DDGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000824137894 604006134 /nfs/dbraw/zinc/00/61/34/604006134.db2.gz WPCUICAEBBZLEB-SNVBAGLBSA-N -1 0 305.256 1.839 20 50 DDGDRM O=C([O-])N[C@@H](CNC(=O)NN=c1nccc[nH]1)c1ccccc1 ZINC000832136924 604225171 /nfs/dbraw/zinc/22/51/71/604225171.db2.gz WULUXCBEOZSGHY-NSHDSACASA-N -1 0 316.321 1.112 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccoc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672189 604321686 /nfs/dbraw/zinc/32/16/86/604321686.db2.gz SODCEMXHGJMWDN-WDEREUQCSA-N -1 0 323.349 1.457 20 50 DDGDRM O=C([O-])NC1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1 ZINC000832175635 604481518 /nfs/dbraw/zinc/48/15/18/604481518.db2.gz IUBVVUNJUYNZMO-UHFFFAOYSA-N -1 0 315.688 1.040 20 50 DDGDRM O=C([O-])[C@@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000833149267 604988492 /nfs/dbraw/zinc/98/84/92/604988492.db2.gz KZIUZQWKCPMVFI-LBPRGKRZSA-N -1 0 316.273 1.050 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cccc(C#N)c1 ZINC000833406195 605039569 /nfs/dbraw/zinc/03/95/69/605039569.db2.gz LOQTZEPZVZHJCI-LLVKDONJSA-N -1 0 310.313 1.769 20 50 DDGDRM O=C([O-])NNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000832744862 605187042 /nfs/dbraw/zinc/18/70/42/605187042.db2.gz PACGLGIRGXTSLU-LLVKDONJSA-N -1 0 313.313 1.492 20 50 DDGDRM O=C([O-])NCC(=O)NN=C1COc2cc(Cl)cc(Cl)c21 ZINC000834199544 605382971 /nfs/dbraw/zinc/38/29/71/605382971.db2.gz APSVDAWOWAXBDF-UHFFFAOYSA-N -1 0 318.116 1.474 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)N[C@@H]1CC12CCCCC2 ZINC000834231102 605710511 /nfs/dbraw/zinc/71/05/11/605710511.db2.gz HAAZDYXDMNLEQF-SNVBAGLBSA-N -1 0 312.370 1.087 20 50 DDGDRM N#Cc1cccc(NNC(=O)C[C@@H]2CSCCN2C(=O)[O-])c1 ZINC000833977116 605715415 /nfs/dbraw/zinc/71/54/15/605715415.db2.gz VKZQXGWGBLILHQ-GFCCVEGCSA-N -1 0 320.374 1.487 20 50 DDGDRM C[C@H](Oc1cccnc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833541228 605732219 /nfs/dbraw/zinc/73/22/19/605732219.db2.gz AHBZIVAJLWFTMR-JTQLQIEISA-N -1 0 301.302 1.690 20 50 DDGDRM C[C@H]1CC(NC(=O)NNc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000833595786 605748999 /nfs/dbraw/zinc/74/89/99/605748999.db2.gz ADHGSQSFXQZFGS-UWVGGRQHSA-N -1 0 307.350 1.967 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNC(=O)NC1CCCCC1 ZINC000834234263 605902179 /nfs/dbraw/zinc/90/21/79/605902179.db2.gz NRRZXKHSOVTNKB-UHFFFAOYSA-N -1 0 300.359 1.087 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000834233783 605928475 /nfs/dbraw/zinc/92/84/75/605928475.db2.gz FRFMFHKVHOBVPB-UHFFFAOYSA-N -1 0 321.259 1.376 20 50 DDGDRM O=C([O-])N1CCc2c1cccc2NC(=O)NNC(=O)C1CCC1 ZINC000834045480 605973191 /nfs/dbraw/zinc/97/31/91/605973191.db2.gz OOCVVUCNXRRVLD-UHFFFAOYSA-N -1 0 318.333 1.680 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1ccncc1 ZINC000833825407 605997872 /nfs/dbraw/zinc/99/78/72/605997872.db2.gz BROTXPNITVHVLS-NHYWBVRUSA-N -1 0 320.349 1.059 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1coc(-c2ccccc2)n1 ZINC000834243812 606054751 /nfs/dbraw/zinc/05/47/51/606054751.db2.gz VSDHFMOXTVTNMX-UHFFFAOYSA-N -1 0 317.305 1.242 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cccnc1 ZINC000826445859 608579032 /nfs/dbraw/zinc/57/90/32/608579032.db2.gz NRSJQCBKHXSPFX-UHFFFAOYSA-N -1 0 316.712 1.067 20 50 DDGDRM O=C(C=CC1CC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826399680 608627651 /nfs/dbraw/zinc/62/76/51/608627651.db2.gz CFOOEGOWVAUOHN-ONEGZZNKSA-N -1 0 305.729 1.324 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000833185589 600870989 /nfs/dbraw/zinc/87/09/89/600870989.db2.gz XWMBTHKIYDVQMJ-NXEZZACHSA-N -1 0 307.306 1.929 20 50 DDGDRM CN(NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])c1ccccc1 ZINC000828434407 603435727 /nfs/dbraw/zinc/43/57/27/603435727.db2.gz AVLWMICMERACJT-ZDUSSCGKSA-N -1 0 307.350 1.313 20 50 DDGDRM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NNC(=O)[O-] ZINC000826124169 603630186 /nfs/dbraw/zinc/63/01/86/603630186.db2.gz APACRJKNPYARQK-SFYZADRCSA-N -1 0 317.342 1.046 20 50 DDGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)CC1CN(C(=O)[O-])C1 ZINC000829226436 603731146 /nfs/dbraw/zinc/73/11/46/603731146.db2.gz YPUFGLBPTNLDOF-UHFFFAOYSA-N -1 0 310.262 1.509 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)C(C)(C)CNC(=O)[O-])n1 ZINC000830761203 603802274 /nfs/dbraw/zinc/80/22/74/603802274.db2.gz OVROYKFCXOMGFP-UHFFFAOYSA-N -1 0 301.734 1.175 20 50 DDGDRM CCC[C@](C)(NC(=O)[O-])C(=O)NNc1ccncc1Cl ZINC000826721922 603802313 /nfs/dbraw/zinc/80/23/13/603802313.db2.gz WCMBCACAXPRKGX-LBPRGKRZSA-N -1 0 300.746 1.426 20 50 DDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1ccncc1Cl ZINC000824210199 603803774 /nfs/dbraw/zinc/80/37/74/603803774.db2.gz CSJWHILKHQIJHL-SNVBAGLBSA-N -1 0 300.746 1.282 20 50 DDGDRM O=C([O-])NC1(CC(=O)NNC(=O)NC2CCCCC2)CCC1 ZINC000832207081 604061771 /nfs/dbraw/zinc/06/17/71/604061771.db2.gz QHWRLTRWPBHJOT-UHFFFAOYSA-N -1 0 312.370 1.230 20 50 DDGDRM CC(C)(NC(=O)[O-])C(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000824025645 604101784 /nfs/dbraw/zinc/10/17/84/604101784.db2.gz VPDBQDBSYNJZKR-UHFFFAOYSA-N -1 0 315.333 1.633 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNc2ccc(Cl)nn2)cc1F ZINC000833148180 604279366 /nfs/dbraw/zinc/27/93/66/604279366.db2.gz CGZORRFZROLMSW-UHFFFAOYSA-N -1 0 310.672 1.724 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000833421750 604729946 /nfs/dbraw/zinc/72/99/46/604729946.db2.gz BKGPUIYBINPONF-UHFFFAOYSA-N -1 0 323.349 1.739 20 50 DDGDRM C[C@@]1(C(=O)NN=c2nc[nH]c3ccsc32)CCN(C(=O)[O-])C1 ZINC000825679086 605125311 /nfs/dbraw/zinc/12/53/11/605125311.db2.gz VSERHIBOSLODNP-CYBMUJFWSA-N -1 0 321.362 1.524 20 50 DDGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1ccc(Cl)nc1 ZINC000834133723 605317652 /nfs/dbraw/zinc/31/76/52/605317652.db2.gz BDHNCXYAAIOMIB-ZCFIWIBFSA-N -1 0 308.672 1.470 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccccc1Br ZINC000834201617 605384160 /nfs/dbraw/zinc/38/41/60/605384160.db2.gz MLVCAVIUGABADH-UHFFFAOYSA-N -1 0 300.112 1.167 20 50 DDGDRM C[C@@H]1CCN(Cc2ccccc2)CC1=NNC(=O)NCC(=O)[O-] ZINC000833616118 605590761 /nfs/dbraw/zinc/59/07/61/605590761.db2.gz QDVQHHAWWZZFCV-GFCCVEGCSA-N -1 0 318.377 1.268 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)CNc1ccccc1F ZINC000833801841 605622371 /nfs/dbraw/zinc/62/23/71/605622371.db2.gz MOMCZUBRTKXYPH-SECBINFHSA-N -1 0 310.329 1.776 20 50 DDGDRM O=C([O-])NNC(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000834250166 605677404 /nfs/dbraw/zinc/67/74/04/605677404.db2.gz CYXAYWXQZHFBCK-JTQLQIEISA-N -1 0 309.322 1.939 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1ccc(C#N)cc1 ZINC000833454713 605704681 /nfs/dbraw/zinc/70/46/81/605704681.db2.gz TZLGLEGOLCTTIB-UHFFFAOYSA-N -1 0 303.318 1.210 20 50 DDGDRM O=C([O-])NC1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000834152187 605737395 /nfs/dbraw/zinc/73/73/95/605737395.db2.gz UOOYXWQXXMYOAG-UHFFFAOYSA-N -1 0 314.685 1.492 20 50 DDGDRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000834048854 605741801 /nfs/dbraw/zinc/74/18/01/605741801.db2.gz UPHVWKSHBHZTGB-GMSGAONNSA-N -1 0 317.704 1.035 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@H]1CCCC1=NNC(=O)c1ccoc1 ZINC000834045980 605742764 /nfs/dbraw/zinc/74/27/64/605742764.db2.gz VFAVKMNBQRRYPV-WCQYABFASA-N -1 0 321.333 1.544 20 50 DDGDRM C[C@H](Sc1nncn1C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833544973 605771154 /nfs/dbraw/zinc/77/11/54/605771154.db2.gz LKQPFTITORMUGT-QMMMGPOBSA-N -1 0 321.362 1.137 20 50 DDGDRM COc1ccc(NNC(=O)[C@@H]2CCCN2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829484319 605802286 /nfs/dbraw/zinc/80/22/86/605802286.db2.gz RKLVGPAXJOEKJL-JTQLQIEISA-N -1 0 324.293 1.189 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)c1cc2ccccc2s1 ZINC000834228686 605843264 /nfs/dbraw/zinc/84/32/64/605843264.db2.gz NWLBTYVJTNKZMA-UHFFFAOYSA-N -1 0 307.331 1.320 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNc1ccnc(F)c1 ZINC000833830798 605872062 /nfs/dbraw/zinc/87/20/62/605872062.db2.gz OGLHIIRIEMZORH-YGRLFVJLSA-N -1 0 310.329 1.880 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1cccnc1 ZINC000833831626 605999089 /nfs/dbraw/zinc/99/90/89/605999089.db2.gz QTCJMHKBYAFBHX-XHDPSFHLSA-N -1 0 320.349 1.059 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000834048359 606034089 /nfs/dbraw/zinc/03/40/89/606034089.db2.gz OKGSNFIWJCLEDV-ZCFIWIBFSA-N -1 0 319.243 1.081 20 50 DDGDRM O=C([O-])N1CCC(NC(=O)NN=Cc2cccc(F)c2O)CC1 ZINC000834046100 606053842 /nfs/dbraw/zinc/05/38/42/606053842.db2.gz XSLHZQFELCWGOV-UHFFFAOYSA-N -1 0 324.312 1.307 20 50 DDGDRM COCC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000826147553 607889521 /nfs/dbraw/zinc/88/95/21/607889521.db2.gz BFVYKZQCKBGUJH-UHFFFAOYSA-N -1 0 323.357 1.094 20 50 DDGDRM CCC(C)(C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825038982 608570988 /nfs/dbraw/zinc/57/09/88/608570988.db2.gz LTJDABNDAVTMPA-UHFFFAOYSA-N -1 0 309.761 1.794 20 50 DDGDRM CCOC(=O)C(C#N)=CNc1nc(CCCC(=O)[O-])cs1 ZINC000829818651 601635884 /nfs/dbraw/zinc/63/58/84/601635884.db2.gz ZWXURQBNKIKYOU-VQHVLOKHSA-N -1 0 309.347 1.933 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833015263 601709494 /nfs/dbraw/zinc/70/94/94/601709494.db2.gz CCVLBKFIHFLMKW-CYBMUJFWSA-N -1 0 317.748 1.378 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)Nc1ccc(N(C)C)cc1 ZINC000827304641 602265993 /nfs/dbraw/zinc/26/59/93/602265993.db2.gz YVMVHQXUGBYYBA-VIFPVBQESA-N -1 0 308.338 1.016 20 50 DDGDRM O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1[O-] ZINC000826448824 607564018 /nfs/dbraw/zinc/56/40/18/607564018.db2.gz NOUBIAKGOKHUFH-UHFFFAOYSA-N -1 0 314.280 1.468 20 50 DDGDRM C[C@H](C(=O)NNC(=O)C1CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701119 603221089 /nfs/dbraw/zinc/22/10/89/603221089.db2.gz ACAJNJCFSWCETO-CABZTGNLSA-N -1 0 305.334 1.189 20 50 DDGDRM CC(C)(C)C(=O)NNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000823754554 603338288 /nfs/dbraw/zinc/33/82/88/603338288.db2.gz OOLPKILFJRMJDQ-LLVKDONJSA-N -1 0 307.350 1.231 20 50 DDGDRM C[C@H](C(=O)NNC(=O)NC1CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702375 603413396 /nfs/dbraw/zinc/41/33/96/603413396.db2.gz KAWVKCKGIYOUSM-CABZTGNLSA-N -1 0 320.349 1.124 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000830587230 603539259 /nfs/dbraw/zinc/53/92/59/603539259.db2.gz VAAZOYJVUPJPOB-JTQLQIEISA-N -1 0 308.338 1.394 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000824231524 603746743 /nfs/dbraw/zinc/74/67/43/603746743.db2.gz JQELAQLTDACZTO-WDEREUQCSA-N -1 0 314.386 1.189 20 50 DDGDRM O=C([O-])N1CCC(CC(=O)NNc2ccncc2Cl)CC1 ZINC000831351276 603805016 /nfs/dbraw/zinc/80/50/16/603805016.db2.gz WDXHMNBGEPILIA-UHFFFAOYSA-N -1 0 312.757 1.380 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000823766762 603850002 /nfs/dbraw/zinc/85/00/02/603850002.db2.gz UYLICYYVFUSPQV-VHSXEESVSA-N -1 0 314.386 1.189 20 50 DDGDRM N#Cc1ccc(C(=O)NN=CC2CCN(C(=O)[O-])CC2)cc1 ZINC000831122940 603858095 /nfs/dbraw/zinc/85/80/95/603858095.db2.gz XHXXZNXNCAAIIU-UHFFFAOYSA-N -1 0 300.318 1.664 20 50 DDGDRM CC(C)CC(=O)NNC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824170566 603886593 /nfs/dbraw/zinc/88/65/93/603886593.db2.gz PWTLRBNPMCWESL-GFCCVEGCSA-N -1 0 322.365 1.372 20 50 DDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2cccc(F)c2F)C1 ZINC000831907924 603928255 /nfs/dbraw/zinc/92/82/55/603928255.db2.gz KWSJOELVBBXCIH-GFCCVEGCSA-N -1 0 303.240 1.500 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)CN(C)C(=O)[O-])o1 ZINC000824867903 604129152 /nfs/dbraw/zinc/12/91/52/604129152.db2.gz GSTDOVCGASXQLF-MRVPVSSYSA-N -1 0 309.326 1.359 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)C1CCC1)C1CCN(C(=O)[O-])CC1 ZINC000824670894 604885654 /nfs/dbraw/zinc/88/56/54/604885654.db2.gz BLZPKMVRZUTDHT-SNVBAGLBSA-N -1 0 311.382 1.350 20 50 DDGDRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NNc1ccccn1 ZINC000834150568 605324963 /nfs/dbraw/zinc/32/49/63/605324963.db2.gz PQUSRPQKHPBNSY-LBPRGKRZSA-N -1 0 300.318 1.404 20 50 DDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000824210814 605407312 /nfs/dbraw/zinc/40/73/12/605407312.db2.gz JRQVWGWDSZFTBJ-LLVKDONJSA-N -1 0 310.310 1.720 20 50 DDGDRM CCN(CC(=O)NNc1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000827009285 605424951 /nfs/dbraw/zinc/42/49/51/605424951.db2.gz HZSRAWIPRPHOQX-UHFFFAOYSA-N -1 0 312.282 1.046 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)COc1cccc(C)c1 ZINC000833800467 605621176 /nfs/dbraw/zinc/62/11/76/605621176.db2.gz BZFDUEOEYQWVNJ-LLVKDONJSA-N -1 0 307.350 1.912 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834175166 605714776 /nfs/dbraw/zinc/71/47/76/605714776.db2.gz ZIQXLUHZKSPUJY-GHMZBOCLSA-N -1 0 308.294 1.474 20 50 DDGDRM Cn1cc(C(=O)NN=C2CCC[C@H]2[C@H]2CCCN2C(=O)[O-])cn1 ZINC000833943040 605724524 /nfs/dbraw/zinc/72/45/24/605724524.db2.gz FOUJJLAHFPUFHT-DGCLKSJQSA-N -1 0 319.365 1.448 20 50 DDGDRM Cc1cc(C(=O)NN=C2CCC[C@@H]2[C@H]2CCCN2C(=O)[O-])[nH]n1 ZINC000833898431 605724461 /nfs/dbraw/zinc/72/44/61/605724461.db2.gz NMDRSNBKPIIHMT-GXFFZTMASA-N -1 0 319.365 1.746 20 50 DDGDRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NNc1cccc2c1CCCC2 ZINC000834048014 605735564 /nfs/dbraw/zinc/73/55/64/605735564.db2.gz IRZOREWWSGZZHC-RISCZKNCSA-N -1 0 319.361 1.122 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NNC(=O)C1CCCC1 ZINC000834045601 605740216 /nfs/dbraw/zinc/74/02/16/605740216.db2.gz RFRXQWZSSNKJIL-OCCSQVGLSA-N -1 0 323.393 1.828 20 50 DDGDRM CC1(C)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000833555063 605743584 /nfs/dbraw/zinc/74/35/84/605743584.db2.gz FJQDVTVCOWTVLB-JHJVBQTASA-N -1 0 319.361 1.824 20 50 DDGDRM O=C([O-])N[C@H]1CC(=NNC(=O)Cc2ccncc2)c2ccccc21 ZINC000834156890 605745572 /nfs/dbraw/zinc/74/55/72/605745572.db2.gz DLFFXNUEQSRSBY-AWEZNQCLSA-N -1 0 324.340 1.857 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(N2CCCCC2)o1 ZINC000834227617 605750241 /nfs/dbraw/zinc/75/02/41/605750241.db2.gz XSIUMFMILQAGOZ-UHFFFAOYSA-N -1 0 308.338 1.378 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC1=NNC(=O)Cc1ccccn1 ZINC000834181607 606080253 /nfs/dbraw/zinc/08/02/53/606080253.db2.gz GRRYMANBYUEAQK-GFCCVEGCSA-N -1 0 304.350 1.697 20 50 DDGDRM Cc1ccc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)o1 ZINC000826281931 608571746 /nfs/dbraw/zinc/57/17/46/608571746.db2.gz PUKYEOVMRAHVQW-UHFFFAOYSA-N -1 0 319.712 1.573 20 50 DDGDRM Cc1cccc(C(=O)NNC(=O)CS[C@H](C)CC(=O)[O-])c1 ZINC000832963084 600840439 /nfs/dbraw/zinc/84/04/39/600840439.db2.gz JWULXIOMJISQMN-SNVBAGLBSA-N -1 0 310.375 1.352 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000831972837 601108338 /nfs/dbraw/zinc/10/83/38/601108338.db2.gz RUBWAVNYMQMOEY-VHSXEESVSA-N -1 0 308.338 1.128 20 50 DDGDRM C[C@@H](NC(=S)NNC(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000827709748 601343267 /nfs/dbraw/zinc/34/32/67/601343267.db2.gz FQMRHGYITFIQML-ZCFIWIBFSA-N -1 0 313.404 1.354 20 50 DDGDRM O=C([O-])C1(CNC(=O)NNc2ccc(Cl)nn2)CCCC1 ZINC000833135784 601422115 /nfs/dbraw/zinc/42/21/15/601422115.db2.gz HYANNWCDYDPVAA-UHFFFAOYSA-N -1 0 313.745 1.401 20 50 DDGDRM Cc1ccnc(NNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000832983817 601799414 /nfs/dbraw/zinc/79/94/14/601799414.db2.gz GWNSVFIAYXXCDQ-UHFFFAOYSA-N -1 0 316.273 1.753 20 50 DDGDRM COCC(=O)NN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000831541307 601978467 /nfs/dbraw/zinc/97/84/67/601978467.db2.gz SFWZRNYGIHJVSK-SNVBAGLBSA-N -1 0 307.133 1.386 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cccc2ccccc21 ZINC000827303744 602170010 /nfs/dbraw/zinc/17/00/10/602170010.db2.gz IVLZPKPZAHEVDZ-JTQLQIEISA-N -1 0 300.314 1.712 20 50 DDGDRM Cc1nc(CC(=O)NN=Cc2ccc(NC(=O)[O-])nc2)cs1 ZINC000830737018 603485198 /nfs/dbraw/zinc/48/51/98/603485198.db2.gz CEUDZZDYVPBDLF-UHFFFAOYSA-N -1 0 319.346 1.629 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1NC(=O)[O-] ZINC000830225420 603502050 /nfs/dbraw/zinc/50/20/50/603502050.db2.gz NMSZRPYZBMQHCG-UHFFFAOYSA-N -1 0 319.239 1.798 20 50 DDGDRM Cc1ccccc1NC(=O)NNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830585850 603539793 /nfs/dbraw/zinc/53/97/93/603539793.db2.gz FVHLRNCPGZKXHL-UHFFFAOYSA-N -1 0 320.349 1.728 20 50 DDGDRM CC(C)(CNC(=O)[O-])C(=O)NNC(=O)CCCc1ccccc1 ZINC000823965011 603656082 /nfs/dbraw/zinc/65/60/82/603656082.db2.gz QOKSVWLTUPSPOA-UHFFFAOYSA-N -1 0 321.377 1.451 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C[C@@H]1CCOc2ccccc21 ZINC000832652671 603727919 /nfs/dbraw/zinc/72/79/19/603727919.db2.gz JBEGDDALBVDTTG-JTQLQIEISA-N -1 0 306.322 1.105 20 50 DDGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)c3cnccn3)c21 ZINC000831735897 603821260 /nfs/dbraw/zinc/82/12/60/603821260.db2.gz DSHFVGOVWSOEFF-UHFFFAOYSA-N -1 0 311.301 1.281 20 50 DDGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)Cc3ccccn3)c21 ZINC000831562122 603823536 /nfs/dbraw/zinc/82/35/36/603823536.db2.gz GOHPQWOEAQDRRT-UHFFFAOYSA-N -1 0 324.340 1.815 20 50 DDGDRM N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000831066152 604105678 /nfs/dbraw/zinc/10/56/78/604105678.db2.gz VDYMGZIQECTIAQ-BPLGCGBFSA-N -1 0 316.313 1.842 20 50 DDGDRM CC(C)NC(=O)NNC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824373441 604321210 /nfs/dbraw/zinc/32/12/10/604321210.db2.gz KVVJARPXFLGVQD-MNOVXSKESA-N -1 0 314.386 1.141 20 50 DDGDRM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)NNC(=O)[O-] ZINC000824496164 604416001 /nfs/dbraw/zinc/41/60/01/604416001.db2.gz UHVXCMNAKIBLGA-UHFFFAOYSA-N -1 0 317.349 1.978 20 50 DDGDRM O=C([O-])N1CC(NC(=O)NNc2ccccc2C(F)(F)F)C1 ZINC000831742804 604610268 /nfs/dbraw/zinc/61/02/68/604610268.db2.gz RRKRDNONJXMUFT-UHFFFAOYSA-N -1 0 318.255 1.694 20 50 DDGDRM CC(C)Nc1ncccc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833504078 604800991 /nfs/dbraw/zinc/80/09/91/604800991.db2.gz FJEMODAVWLTFNJ-UHFFFAOYSA-N -1 0 315.333 1.752 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1cc2ccccc2o1)c1cccnc1 ZINC000833149129 605006679 /nfs/dbraw/zinc/00/66/79/605006679.db2.gz GAEBJXSEKFOTLU-CQSZACIVSA-N -1 0 311.297 1.888 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(Cl)nc1 ZINC000833408510 605040335 /nfs/dbraw/zinc/04/03/35/605040335.db2.gz ZHIYIZUCLPXJSC-SECBINFHSA-N -1 0 320.736 1.946 20 50 DDGDRM O=C([O-])N1CCC(C(=O)NN=c2nc[nH]c3ccsc32)CC1 ZINC000831742533 605126224 /nfs/dbraw/zinc/12/62/24/605126224.db2.gz JKUVCAWFBBHKOB-UHFFFAOYSA-N -1 0 321.362 1.524 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(N2CCCCC2)cc1 ZINC000834200742 605387385 /nfs/dbraw/zinc/38/73/85/605387385.db2.gz AMFNLHXZOZNXGP-UHFFFAOYSA-N -1 0 304.350 1.395 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000834200918 605513628 /nfs/dbraw/zinc/51/36/28/605513628.db2.gz CAQJXGUWHPTMAV-ZDUSSCGKSA-N -1 0 320.349 1.126 20 50 DDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)CCc1ccccc1 ZINC000823847472 605682454 /nfs/dbraw/zinc/68/24/54/605682454.db2.gz RXOLTHJAYYGQHN-CYBMUJFWSA-N -1 0 321.377 1.449 20 50 DDGDRM CCc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2)n(C)n1 ZINC000833672088 605712050 /nfs/dbraw/zinc/71/20/50/605712050.db2.gz ZISDVYNNJSUZLP-UHFFFAOYSA-N -1 0 303.322 1.829 20 50 DDGDRM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NNC(=O)C1CCC1 ZINC000831736485 605715350 /nfs/dbraw/zinc/71/53/50/605715350.db2.gz MUPZNBWMLXUMNE-CYBMUJFWSA-N -1 0 317.345 1.211 20 50 DDGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1ccccc1Cl ZINC000834048604 605724784 /nfs/dbraw/zinc/72/47/84/605724784.db2.gz NHIVPFCTXWFKND-VIFPVBQESA-N -1 0 301.755 1.836 20 50 DDGDRM O=C([O-])N1CC[C@@H](C(=O)NNc2cccc3cnccc32)C1 ZINC000834049590 605739607 /nfs/dbraw/zinc/73/96/07/605739607.db2.gz TVWPMRRBRONBSM-LLVKDONJSA-N -1 0 300.318 1.678 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NNc1cc(F)c(F)cc1F ZINC000834174153 605740224 /nfs/dbraw/zinc/74/02/24/605740224.db2.gz URSMETMZFQEWRF-LHLIQPBNSA-N -1 0 317.267 1.983 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(Cl)c2cccnc12 ZINC000834227345 605749127 /nfs/dbraw/zinc/74/91/27/605749127.db2.gz QVRJPSVQBNJIRH-UHFFFAOYSA-N -1 0 320.736 1.996 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CSCCc2ccccc21 ZINC000834228947 605800578 /nfs/dbraw/zinc/80/05/78/605800578.db2.gz UZTUMDZPHNRASU-UHFFFAOYSA-N -1 0 321.402 1.844 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNc1ccnc(F)c1 ZINC000833830797 605872144 /nfs/dbraw/zinc/87/21/44/605872144.db2.gz OGLHIIRIEMZORH-QMTHXVAHSA-N -1 0 310.329 1.880 20 50 DDGDRM O=C([O-])NNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000834251285 605941802 /nfs/dbraw/zinc/94/18/02/605941802.db2.gz SUMXRLSXHMMIGX-ZETCQYMHSA-N -1 0 316.720 1.540 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000834045505 605991902 /nfs/dbraw/zinc/99/19/02/605991902.db2.gz PHKRNMKCTPASJH-AWEZNQCLSA-N -1 0 317.345 1.626 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2cccc(Cl)c2)cn1 ZINC000834277213 606053675 /nfs/dbraw/zinc/05/36/75/606053675.db2.gz KAPYCZJSCQRBNU-UHFFFAOYSA-N -1 0 307.697 1.977 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1cccc(F)c1F ZINC000834134337 606078614 /nfs/dbraw/zinc/07/86/14/606078614.db2.gz IEIAJAFGRDRYCW-ZETCQYMHSA-N -1 0 309.219 1.699 20 50 DDGDRM Cc1cccc(C(=O)NNC(=O)CSC[C@H](C)C(=O)[O-])c1 ZINC000832962880 600840369 /nfs/dbraw/zinc/84/03/69/600840369.db2.gz DFJHCDDTLCCYHD-JTQLQIEISA-N -1 0 310.375 1.210 20 50 DDGDRM O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)NC1CCCCC1 ZINC000833149351 600870867 /nfs/dbraw/zinc/87/08/67/600870867.db2.gz NTKZEOCXYNQFFO-WDEREUQCSA-N -1 0 311.382 1.541 20 50 DDGDRM C[C@H](NC(=S)NNC(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000827709747 601343236 /nfs/dbraw/zinc/34/32/36/601343236.db2.gz FQMRHGYITFIQML-LURJTMIESA-N -1 0 313.404 1.354 20 50 DDGDRM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NNC(=O)[O-])ccc2NC1=O ZINC000826698913 603466405 /nfs/dbraw/zinc/46/64/05/603466405.db2.gz IGIRXHOEUYBTBQ-XCBNKYQSSA-N -1 0 322.321 1.339 20 50 DDGDRM CCC(CC)(CNC(=O)NNC(=O)C(C)(C)C)NC(=O)[O-] ZINC000826541054 603546234 /nfs/dbraw/zinc/54/62/34/603546234.db2.gz ODOJEFMRXTVMRI-UHFFFAOYSA-N -1 0 302.375 1.189 20 50 DDGDRM Cc1ccc(OCC(=O)NN=CC2CCN(C(=O)[O-])CC2)cc1 ZINC000830407732 603855535 /nfs/dbraw/zinc/85/55/35/603855535.db2.gz UCEVTZGQEFMZRD-UHFFFAOYSA-N -1 0 319.361 1.866 20 50 DDGDRM Cc1ccc(C(=O)NN=CC2CCN(C(=O)[O-])CC2)c(O)c1 ZINC000830225282 603857968 /nfs/dbraw/zinc/85/79/68/603857968.db2.gz JOVJVVGGYCDKBH-UHFFFAOYSA-N -1 0 305.334 1.806 20 50 DDGDRM CC(C)CC(=O)NNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000824170099 603860616 /nfs/dbraw/zinc/86/06/16/603860616.db2.gz FDTWEFYSEKXPGQ-WDEREUQCSA-N -1 0 314.386 1.189 20 50 DDGDRM O=C([O-])N1CCC[C@H]1C(=O)NN=c1[nH]cccc1C(F)(F)F ZINC000831742535 604005110 /nfs/dbraw/zinc/00/51/10/604005110.db2.gz JLUPEJCMRZQIJS-QMMMGPOBSA-N -1 0 318.255 1.686 20 50 DDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NNC(=O)C1CCCC1)C2 ZINC000831736899 604211554 /nfs/dbraw/zinc/21/15/54/604211554.db2.gz XMECMQMYRFLNKS-YOGCLGLASA-N -1 0 324.381 1.180 20 50 DDGDRM O=C([O-])NNC(=O)c1c(F)cccc1I ZINC000832748340 604419231 /nfs/dbraw/zinc/41/92/31/604419231.db2.gz HIRQLJGBBUTGPQ-UHFFFAOYSA-N -1 0 324.049 1.343 20 50 DDGDRM CCC[C@H](NC(=O)[O-])C(=O)NNC(=O)Cc1ccccc1C ZINC000826759058 604495958 /nfs/dbraw/zinc/49/59/58/604495958.db2.gz WDKAGODBQOIQBI-LBPRGKRZSA-N -1 0 307.350 1.121 20 50 DDGDRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833535444 604803103 /nfs/dbraw/zinc/80/31/03/604803103.db2.gz JCGUEPNZOINCGP-PWSUYJOCSA-N -1 0 323.349 1.197 20 50 DDGDRM COc1cc[nH]c(=NNC(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000832637230 604929724 /nfs/dbraw/zinc/92/97/24/604929724.db2.gz MEUWEHHFGQVTBX-UHFFFAOYSA-N -1 0 306.253 1.079 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000833477957 604934868 /nfs/dbraw/zinc/93/48/68/604934868.db2.gz BLPAZGQNCZSUGO-NSHDSACASA-N -1 0 310.310 1.720 20 50 DDGDRM CC(C)(C)CC(=O)NCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833422835 605259816 /nfs/dbraw/zinc/25/98/16/605259816.db2.gz NYDJAIBXDREKIA-UHFFFAOYSA-N -1 0 307.350 1.380 20 50 DDGDRM CC(C)(C)C(=O)NCCCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833421821 605281884 /nfs/dbraw/zinc/28/18/84/605281884.db2.gz GDMYXWLTVUUEPH-UHFFFAOYSA-N -1 0 321.377 1.770 20 50 DDGDRM CC(=NNC(=O)c1cccn1C)c1ccccc1OCC(=O)[O-] ZINC000833385458 605326347 /nfs/dbraw/zinc/32/63/47/605326347.db2.gz ZDHNQXYGIMJSFK-UHFFFAOYSA-N -1 0 315.329 1.643 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1cc2ccc(F)cc2s1 ZINC000834203686 605461624 /nfs/dbraw/zinc/46/16/24/605461624.db2.gz VZDCNWMARJTIJA-UHFFFAOYSA-N -1 0 311.294 1.069 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1CNC(=O)NN=c1cc(Cl)cc[nH]1 ZINC000834024866 605522711 /nfs/dbraw/zinc/52/27/11/605522711.db2.gz FTWRWEISOPJUFE-SECBINFHSA-N -1 0 313.745 1.504 20 50 DDGDRM O=C([O-])NC[C@H](C(=O)NNc1ncc(F)cn1)c1ccccc1 ZINC000834211560 605613589 /nfs/dbraw/zinc/61/35/89/605613589.db2.gz XTBFSYVNNZQFQG-NSHDSACASA-N -1 0 319.296 1.110 20 50 DDGDRM O=C([O-])N1CCC(C(=O)NNc2cccc([N+](=O)[O-])c2)CC1 ZINC000834048896 605716290 /nfs/dbraw/zinc/71/62/90/605716290.db2.gz OOQKUHDKTQFRAE-UHFFFAOYSA-N -1 0 308.294 1.428 20 50 DDGDRM CC(C)CCn1cc(C(=O)NNc2ccccc2C(=O)[O-])nn1 ZINC000833484022 605721199 /nfs/dbraw/zinc/72/11/99/605721199.db2.gz JJMSWTVINOTXPD-UHFFFAOYSA-N -1 0 317.349 1.779 20 50 DDGDRM O=C([O-])N1CSC[C@@H]1C(=O)NNc1ccccc1Cl ZINC000834048601 605724983 /nfs/dbraw/zinc/72/49/83/605724983.db2.gz NHIVPFCTXWFKND-SECBINFHSA-N -1 0 301.755 1.836 20 50 DDGDRM N#Cc1ccc(OCC(=O)NN=C2CCC[C@@H]2NC(=O)[O-])cc1 ZINC000833977152 605856445 /nfs/dbraw/zinc/85/64/45/605856445.db2.gz LNKLKQOGRROXHU-LBPRGKRZSA-N -1 0 316.317 1.229 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)c1ccc2c(c1)OCCO2 ZINC000834167597 605858728 /nfs/dbraw/zinc/85/87/28/605858728.db2.gz COKJYFKFHCEESM-JTQLQIEISA-N -1 0 319.317 1.364 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1O ZINC000834170582 605859113 /nfs/dbraw/zinc/85/91/13/605859113.db2.gz UXGHCYZIDJCGSK-VIFPVBQESA-N -1 0 311.725 1.952 20 50 DDGDRM N#Cc1cccc(C(=O)NN=C[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833977247 606051194 /nfs/dbraw/zinc/05/11/94/606051194.db2.gz PODOQNWUOYTZRZ-LBPRGKRZSA-N -1 0 300.318 1.664 20 50 DDGDRM CS[C@@H](C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826225189 608571825 /nfs/dbraw/zinc/57/18/25/608571825.db2.gz VZZSWXZDGAWYTF-YFKPBYRVSA-N -1 0 313.774 1.110 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccn1 ZINC000826445977 608572614 /nfs/dbraw/zinc/57/26/14/608572614.db2.gz TWIKSGYVCCQOIQ-UHFFFAOYSA-N -1 0 316.712 1.067 20 50 DDGDRM CCOCC(=O)NN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829938718 600748810 /nfs/dbraw/zinc/74/88/10/600748810.db2.gz GNXYLXFLTXELJX-LLVKDONJSA-N -1 0 321.160 1.776 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1 ZINC000833102174 600919456 /nfs/dbraw/zinc/91/94/56/600919456.db2.gz FEACXYPCLPEADQ-ZIAGYGMSSA-N -1 0 318.373 1.658 20 50 DDGDRM CN(C)Cc1ccc(C(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)o1 ZINC000830619701 601796657 /nfs/dbraw/zinc/79/66/57/601796657.db2.gz IQQUTYPJPLMXOR-UHFFFAOYSA-N -1 0 304.306 1.131 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNC(=O)CC2CCCC2)C1 ZINC000832325897 603541971 /nfs/dbraw/zinc/54/19/71/603541971.db2.gz OQCYUKHPXXMQDT-VXGBXAGGSA-N -1 0 311.382 1.541 20 50 DDGDRM COCCC(=NNC(=O)NC1CCN(C(=O)[O-])CC1)C(C)C ZINC000828931108 603604440 /nfs/dbraw/zinc/60/44/40/603604440.db2.gz XVHIPTBJOOUJMC-UHFFFAOYSA-N -1 0 314.386 1.477 20 50 DDGDRM CC(C)(C)OC(=O)NNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000823822391 603612489 /nfs/dbraw/zinc/61/24/89/603612489.db2.gz HQKVNXIJIYIIJS-UHFFFAOYSA-N -1 0 301.343 1.370 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNC(=O)CCCc2ccccc2)C1 ZINC000831427347 603743932 /nfs/dbraw/zinc/74/39/32/603743932.db2.gz APSVBXNXWDOLPN-UHFFFAOYSA-N -1 0 319.361 1.157 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000824231523 603746767 /nfs/dbraw/zinc/74/67/67/603746767.db2.gz JQELAQLTDACZTO-QWRGUYRKSA-N -1 0 314.386 1.189 20 50 DDGDRM CCC[C@@](C)(NC(=O)[O-])C(=O)NNc1ccncc1Cl ZINC000826721921 603802285 /nfs/dbraw/zinc/80/22/85/603802285.db2.gz WCMBCACAXPRKGX-GFCCVEGCSA-N -1 0 300.746 1.426 20 50 DDGDRM N#CC(=Cc1cccc2c1N(C(=O)[O-])CC2)C(N)=C(C#N)C#N ZINC000831065313 603810387 /nfs/dbraw/zinc/81/03/87/603810387.db2.gz QBKWXVBGAGCAKH-WUXMJOGZSA-N -1 0 305.297 1.894 20 50 DDGDRM CCOC(=O)NNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000827327566 603936649 /nfs/dbraw/zinc/93/66/49/603936649.db2.gz KXLUPQLYHMSBIN-ZJUUUORDSA-N -1 0 301.343 1.370 20 50 DDGDRM CC(C)NC(=O)NNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824372689 603989258 /nfs/dbraw/zinc/98/92/58/603989258.db2.gz BEFNRLZTBSZIHM-FGWVZKOKSA-N -1 0 312.370 1.036 20 50 DDGDRM O=C([O-])N1CC[C@@H](NC(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000831742853 604039219 /nfs/dbraw/zinc/03/92/19/604039219.db2.gz SOWHOXRIJJQCBN-MRVPVSSYSA-N -1 0 316.720 1.858 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNc2cc(F)c(F)cc2F)C1 ZINC000831366595 604063810 /nfs/dbraw/zinc/06/38/10/604063810.db2.gz PMFLSVPNZCQVTH-UHFFFAOYSA-N -1 0 303.240 1.547 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNc1cnnc2ccccc21 ZINC000824867539 604220465 /nfs/dbraw/zinc/22/04/65/604220465.db2.gz DFUHDTKMCROXGL-VIFPVBQESA-N -1 0 303.322 1.319 20 50 DDGDRM C[C@H](CC(=O)NNC(=O)c1ccc[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824671794 604290387 /nfs/dbraw/zinc/29/03/87/604290387.db2.gz MAIGNINPZMWTTP-GHMZBOCLSA-N -1 0 322.365 1.192 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1cccnc1 ZINC000833408926 605040254 /nfs/dbraw/zinc/04/02/54/605040254.db2.gz ZUYMJRDJMXUONV-NSHDSACASA-N -1 0 300.318 1.222 20 50 DDGDRM O=C([O-])NCC(=O)NN=C(C[C@H]1CCOC1)c1ccccc1 ZINC000834199842 605383716 /nfs/dbraw/zinc/38/37/16/605383716.db2.gz PPZGHQAWYZGJAY-LLVKDONJSA-N -1 0 305.334 1.201 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(F)cc1C(F)(F)F ZINC000834201618 605387618 /nfs/dbraw/zinc/38/76/18/605387618.db2.gz MOOBQVXCNNXQSX-UHFFFAOYSA-N -1 0 307.203 1.562 20 50 DDGDRM COc1ccc(NNC(=O)C(C)(C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829479529 605421558 /nfs/dbraw/zinc/42/15/58/605421558.db2.gz JJFLMFXSWFETNX-UHFFFAOYSA-N -1 0 312.282 1.093 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)C1CCC(c2ccccc2)CC1 ZINC000834200156 605444263 /nfs/dbraw/zinc/44/42/63/605444263.db2.gz DOMNRKUUGOKAJN-UHFFFAOYSA-N -1 0 319.361 1.375 20 50 DDGDRM O=C(CCc1ccco1)NNC(=O)CC[C@H]1CCN(C(=O)[O-])C1 ZINC000833999826 605444870 /nfs/dbraw/zinc/44/48/70/605444870.db2.gz QKRRQXSWXSEUFU-NSHDSACASA-N -1 0 323.349 1.140 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)CCCC[C@H]1CCSS1 ZINC000834200529 605473642 /nfs/dbraw/zinc/47/36/42/605473642.db2.gz MDUOSYWXSIPBPJ-QMMMGPOBSA-N -1 0 321.424 1.116 20 50 DDGDRM O=C([O-])NNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000834250024 605681813 /nfs/dbraw/zinc/68/18/13/605681813.db2.gz AQPNKRYFKXHPIW-UHFFFAOYSA-N -1 0 302.674 1.273 20 50 DDGDRM N#Cc1ccc(NNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000833974598 605719028 /nfs/dbraw/zinc/71/90/28/605719028.db2.gz KATAXSFHDQQVRT-AAEUAGOBSA-N -1 0 302.334 1.828 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cccc(Br)c1 ZINC000834227118 605746959 /nfs/dbraw/zinc/74/69/59/605746959.db2.gz JYQQRAIEPXYTBL-UHFFFAOYSA-N -1 0 314.139 1.557 20 50 DDGDRM O=C([O-])c1cccc(NNC(=O)Cc2n[nH]c3ccccc23)c1 ZINC000833765348 605775876 /nfs/dbraw/zinc/77/58/76/605775876.db2.gz JJEMPSGOBLZRSU-UHFFFAOYSA-N -1 0 310.313 1.947 20 50 DDGDRM Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[O-] ZINC000833953045 606002551 /nfs/dbraw/zinc/00/25/51/606002551.db2.gz SLXGYIBDHQMTOH-ZUZCIYMTSA-N -1 0 322.365 1.003 20 50 DDGDRM CCC1(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CCC1 ZINC000825164697 608574354 /nfs/dbraw/zinc/57/43/54/608574354.db2.gz GTDWBUYFJLNFCG-UHFFFAOYSA-N -1 0 321.772 1.939 20 50 DDGDRM N#Cc1cccc([C@@H](NNC(=O)c2ccccc2F)C(=O)[O-])c1 ZINC000833075092 601298787 /nfs/dbraw/zinc/29/87/87/601298787.db2.gz HLMKVJRWHXSQTE-CQSZACIVSA-N -1 0 313.288 1.758 20 50 DDGDRM CCOC(=O)NNC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000827326056 603435083 /nfs/dbraw/zinc/43/50/83/603435083.db2.gz BJSIBGVVXZEANV-LLVKDONJSA-N -1 0 309.322 1.033 20 50 DDGDRM O=C([O-])NNC(=O)c1ccccc1CSC1=NCCS1 ZINC000832748679 603477756 /nfs/dbraw/zinc/47/77/56/603477756.db2.gz QJURZAPORUQNGW-UHFFFAOYSA-N -1 0 311.388 1.935 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)o1 ZINC000824481655 603531198 /nfs/dbraw/zinc/53/11/98/603531198.db2.gz BQAZXYVFQIMROL-RKDXNWHRSA-N -1 0 321.337 1.549 20 50 DDGDRM CC[C@H]1CC(=NNC(=O)NC2CCN(C(=O)[O-])CC2)CCO1 ZINC000826658770 603603592 /nfs/dbraw/zinc/60/35/92/603603592.db2.gz ALBGAEUHSZXSEH-LBPRGKRZSA-N -1 0 312.370 1.373 20 50 DDGDRM O=C([O-])NNC(=O)NCCc1ccccc1OC(F)(F)F ZINC000832748431 603775218 /nfs/dbraw/zinc/77/52/18/603775218.db2.gz KUPNBVKYMMJWBF-UHFFFAOYSA-N -1 0 307.228 1.610 20 50 DDGDRM CCC[C@@H](NC(=O)[O-])C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000826757414 604007087 /nfs/dbraw/zinc/00/70/87/604007087.db2.gz FYNDWYYRCGJTSS-SECBINFHSA-N -1 0 305.256 1.983 20 50 DDGDRM O=C([O-])NNC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000832748232 604158216 /nfs/dbraw/zinc/15/82/16/604158216.db2.gz FZBRSWYZRHRLQB-SECBINFHSA-N -1 0 312.757 1.791 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830566691 604496877 /nfs/dbraw/zinc/49/68/77/604496877.db2.gz FITHPKOCMHPAGE-UHFFFAOYSA-N -1 0 319.361 1.265 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833481664 604561695 /nfs/dbraw/zinc/56/16/95/604561695.db2.gz XBUHGFSNEYLVGO-UHFFFAOYSA-N -1 0 321.377 1.694 20 50 DDGDRM CN(C(=O)[O-])c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1 ZINC000833685202 604730840 /nfs/dbraw/zinc/73/08/40/604730840.db2.gz HKMNVZSZEZGGOG-UHFFFAOYSA-N -1 0 308.338 2.000 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccncc1 ZINC000833408540 605041222 /nfs/dbraw/zinc/04/12/22/605041222.db2.gz ZRHQGFCDIJYZDX-NSHDSACASA-N -1 0 300.318 1.222 20 50 DDGDRM O=C([O-])NC1(CC(=O)NN=c2nc[nH]c3ccsc32)CCC1 ZINC000832207421 605126064 /nfs/dbraw/zinc/12/60/64/605126064.db2.gz ZMLXHKJXQKTALG-UHFFFAOYSA-N -1 0 321.362 1.715 20 50 DDGDRM COc1ccc(NNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000829483785 605297096 /nfs/dbraw/zinc/29/70/96/605297096.db2.gz KWCQIXMZAQLAFI-CYBMUJFWSA-N -1 0 323.349 1.297 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(Br)s1 ZINC000834201613 605384724 /nfs/dbraw/zinc/38/47/24/605384724.db2.gz MDRCAUSWNXMEMX-UHFFFAOYSA-N -1 0 306.141 1.228 20 50 DDGDRM O=C([O-])NCCC=NNC(=O)C(F)(F)Oc1ccccc1 ZINC000832605363 605467050 /nfs/dbraw/zinc/46/70/50/605467050.db2.gz SUSNOSSTPKZXIY-UHFFFAOYSA-N -1 0 301.249 1.418 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2cc(Cl)ccn2)o1 ZINC000834249369 605474939 /nfs/dbraw/zinc/47/49/39/605474939.db2.gz UNCWNHLJCNUSGF-UHFFFAOYSA-N -1 0 310.697 1.853 20 50 DDGDRM CC[C@H](C)Oc1cc(C=NNC(=O)NCC(=O)[O-])ccc1OC ZINC000833641127 605585378 /nfs/dbraw/zinc/58/53/78/605585378.db2.gz NWWOWWHCLUGUFT-JTQLQIEISA-N -1 0 323.349 1.590 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000824232045 605669573 /nfs/dbraw/zinc/66/95/73/605669573.db2.gz OCVYNFCMLAZTED-JTQLQIEISA-N -1 0 317.411 1.056 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)CCc1ccccc1 ZINC000824299412 605683480 /nfs/dbraw/zinc/68/34/80/605683480.db2.gz IZIKARWKSZCYDD-ZDUSSCGKSA-N -1 0 321.377 1.449 20 50 DDGDRM C[C@H](Oc1cccnc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833543413 605721775 /nfs/dbraw/zinc/72/17/75/605721775.db2.gz SIBVMENVBZVPGI-JTQLQIEISA-N -1 0 301.302 1.690 20 50 DDGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)CNc1ccccc1F ZINC000834170119 605857176 /nfs/dbraw/zinc/85/71/76/605857176.db2.gz RUFWTWYQVKSLLT-NSHDSACASA-N -1 0 308.313 1.530 20 50 DDGDRM O=C([O-])N[C@@H]1CCCC1=NNC(=O)NCCc1cccs1 ZINC000834169533 605859266 /nfs/dbraw/zinc/85/92/66/605859266.db2.gz NGTRFFUCIWVDLF-SNVBAGLBSA-N -1 0 310.379 1.766 20 50 DDGDRM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NNc1ccnc(F)c1 ZINC000834046720 605873681 /nfs/dbraw/zinc/87/36/81/605873681.db2.gz BNYZKPOXUQZYSP-JLLWLGSASA-N -1 0 322.340 1.975 20 50 DDGDRM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NNc1ccnc(F)c1 ZINC000834046726 605873965 /nfs/dbraw/zinc/87/39/65/605873965.db2.gz BNYZKPOXUQZYSP-WCQGTBRESA-N -1 0 322.340 1.975 20 50 DDGDRM Cc1cccnc1C=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833911145 605888050 /nfs/dbraw/zinc/88/80/50/605888050.db2.gz UIFYKIIXXCRIJO-UHFFFAOYSA-N -1 0 305.338 1.166 20 50 DDGDRM CC(C)(C)CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824080459 608571374 /nfs/dbraw/zinc/57/13/74/608571374.db2.gz XSCCRAGWRUBFMH-UHFFFAOYSA-N -1 0 309.761 1.794 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CCCCC1 ZINC000826445005 608573705 /nfs/dbraw/zinc/57/37/05/608573705.db2.gz CPKDSYOCECWAJU-UHFFFAOYSA-N -1 0 321.772 1.939 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1 ZINC000833147211 600912633 /nfs/dbraw/zinc/91/26/33/600912633.db2.gz YDJLKFPXDLQJCH-NXEZZACHSA-N -1 0 309.322 1.001 20 50 DDGDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C1CC1 ZINC000833169563 601389554 /nfs/dbraw/zinc/38/95/54/601389554.db2.gz VHNZDFVWYYFIQD-LBPRGKRZSA-N -1 0 317.794 1.609 20 50 DDGDRM CN(C)c1cccc(C(=O)NN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000830643568 601453547 /nfs/dbraw/zinc/45/35/47/601453547.db2.gz KEFKAQBMWHAJRB-OAHLLOKOSA-N -1 0 313.357 1.813 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000833016374 601710164 /nfs/dbraw/zinc/71/01/64/601710164.db2.gz UWMPRVCMYHFWBP-GZMMTYOYSA-N -1 0 313.785 1.531 20 50 DDGDRM COc1cc[nH]c(=NNC(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000829650792 603312507 /nfs/dbraw/zinc/31/25/07/603312507.db2.gz VFQCTFYEANRSEF-UHFFFAOYSA-N -1 0 317.305 1.640 20 50 DDGDRM COc1ccc(CNC(=O)NNC(=O)[O-])c(OC2CCCC2)c1 ZINC000829388849 603706508 /nfs/dbraw/zinc/70/65/08/603706508.db2.gz BPSVGAKAYYHFBS-UHFFFAOYSA-N -1 0 323.349 1.998 20 50 DDGDRM O=C([O-])NCCOCC(=O)NNc1cc(Cl)ccc1Cl ZINC000832669223 603839719 /nfs/dbraw/zinc/83/97/19/603839719.db2.gz VNWWPKWVRADYQF-UHFFFAOYSA-N -1 0 322.148 1.721 20 50 DDGDRM Cc1ccc(NNC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])nn1 ZINC000830396087 603870811 /nfs/dbraw/zinc/87/08/11/603870811.db2.gz TYOMTLVEQQNPHO-MNOVXSKESA-N -1 0 322.369 1.238 20 50 DDGDRM O=C([O-])N[C@H](CNC(=O)NNc1cccnn1)c1ccccc1 ZINC000832135144 603897361 /nfs/dbraw/zinc/89/73/61/603897361.db2.gz IWXHCULXOZYPSL-LLVKDONJSA-N -1 0 316.321 1.112 20 50 DDGDRM C[C@]1(C(=O)NNc2ccc(F)c(F)c2F)CCN(C(=O)[O-])C1 ZINC000825672221 604062924 /nfs/dbraw/zinc/06/29/24/604062924.db2.gz AFOGKPIWUPCUEE-ZDUSSCGKSA-N -1 0 317.267 1.937 20 50 DDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)NC1CCCC1 ZINC000832845341 604296446 /nfs/dbraw/zinc/29/64/46/604296446.db2.gz BBVSZYADZRXTFS-UHFFFAOYSA-N -1 0 308.338 1.216 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1CSCCc2ccccc21 ZINC000832652556 604305646 /nfs/dbraw/zinc/30/56/46/604305646.db2.gz FLOWGUKMOVGPKQ-UHFFFAOYSA-N -1 0 322.390 1.247 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824672142 604307277 /nfs/dbraw/zinc/30/72/77/604307277.db2.gz RUFAOITYLMHPQL-QWRGUYRKSA-N -1 0 313.398 1.596 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000830568125 604496833 /nfs/dbraw/zinc/49/68/33/604496833.db2.gz YGPDYTUPIQLUQZ-QWHCGFSZSA-N -1 0 319.361 1.121 20 50 DDGDRM CC(=NNC(=O)c1cccc(Cl)c1)c1cn(CC(=O)[O-])nn1 ZINC000825804863 604783308 /nfs/dbraw/zinc/78/33/08/604783308.db2.gz ZRSWYAIMXNQQQM-UHFFFAOYSA-N -1 0 321.724 1.170 20 50 DDGDRM C[C@@H](Oc1ccc(F)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833541133 604800822 /nfs/dbraw/zinc/80/08/22/604800822.db2.gz ZGNYCECHOWPIBF-SECBINFHSA-N -1 0 319.292 1.830 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832977759 604804248 /nfs/dbraw/zinc/80/42/48/604804248.db2.gz XSEHCRDSOCZALE-UHFFFAOYSA-N -1 0 316.288 1.907 20 50 DDGDRM CC(C)Oc1cccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)n1 ZINC000833507006 604806816 /nfs/dbraw/zinc/80/68/16/604806816.db2.gz RGQPCVJXVKWJNP-UHFFFAOYSA-N -1 0 316.317 1.719 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1ccc(Cl)cc1F)c1cccnc1 ZINC000833148937 605005955 /nfs/dbraw/zinc/00/59/55/605005955.db2.gz BJOWDIPTQRVPMK-GFCCVEGCSA-N -1 0 323.711 1.934 20 50 DDGDRM CCCOc1ccc(C(=O)NN[C@H](C(=O)[O-])C2CC2)cc1OC ZINC000833652730 605062840 /nfs/dbraw/zinc/06/28/40/605062840.db2.gz YMAVGAQHXOLTHQ-AWEZNQCLSA-N -1 0 322.361 1.582 20 50 DDGDRM CC(C)(C)c1ccc(C=NNC(=O)NCCNC(=O)[O-])s1 ZINC000823859825 605170289 /nfs/dbraw/zinc/17/02/89/605170289.db2.gz ZSYDBGHGLFXNFC-UHFFFAOYSA-N -1 0 312.395 1.946 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)Cc1ccc(F)cc1 ZINC000833454857 605221225 /nfs/dbraw/zinc/22/12/25/605221225.db2.gz VZCWLXBTQJRADQ-UHFFFAOYSA-N -1 0 310.325 1.407 20 50 DDGDRM COc1ccc(NNC(=O)c2cc(C(=O)[O-])no2)cc1Cl ZINC000833733335 605244418 /nfs/dbraw/zinc/24/44/18/605244418.db2.gz OQTUPZGBBSYRGX-UHFFFAOYSA-N -1 0 311.681 1.792 20 50 DDGDRM CC(=NNC(=O)c1cnn(C)c1)c1ccccc1OCC(=O)[O-] ZINC000833384215 605329282 /nfs/dbraw/zinc/32/92/82/605329282.db2.gz FOHNPHVSQARUHJ-UHFFFAOYSA-N -1 0 316.317 1.038 20 50 DDGDRM O=C(C[C@@H]1CCCN1C(=O)[O-])NNc1ccc([N+](=O)[O-])cc1 ZINC000831339528 605408212 /nfs/dbraw/zinc/40/82/12/605408212.db2.gz HTOPLEUBUPDQPY-NSHDSACASA-N -1 0 308.294 1.570 20 50 DDGDRM CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](COC)C(=O)[O-])cc1 ZINC000833663430 605416827 /nfs/dbraw/zinc/41/68/27/605416827.db2.gz JGXOBRFIQKTYAB-BCNIOPEESA-N -1 0 318.329 1.208 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(OCC(C)C)cc1 ZINC000833385402 605590225 /nfs/dbraw/zinc/59/02/25/605590225.db2.gz YBVYWQFUEDXPFL-UHFFFAOYSA-N -1 0 307.350 1.829 20 50 DDGDRM N#Cc1ccc(NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000833977562 605719054 /nfs/dbraw/zinc/71/90/54/605719054.db2.gz PXHVYSGINIPZBL-UHFFFAOYSA-N -1 0 300.274 1.676 20 50 DDGDRM CC(C)(C)S(=O)(=O)CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833447284 605730050 /nfs/dbraw/zinc/73/00/50/605730050.db2.gz PUSVXNBLIYQBRJ-UHFFFAOYSA-N -1 0 314.363 1.041 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@H]1CCCC1=NNC(=O)NCC1CC1 ZINC000834027805 605742811 /nfs/dbraw/zinc/74/28/11/605742811.db2.gz WLSMZPSRNTZUMF-WCQYABFASA-N -1 0 324.381 1.231 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1c[nH]c2cc(F)ccc12 ZINC000834228386 605797325 /nfs/dbraw/zinc/79/73/25/605797325.db2.gz FZZOJJDPTSSLFE-UHFFFAOYSA-N -1 0 306.297 1.805 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc2ncccc2c1 ZINC000834229041 605800218 /nfs/dbraw/zinc/80/02/18/605800218.db2.gz YVOIQBOUPMQYQG-UHFFFAOYSA-N -1 0 300.318 1.733 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000823761093 605808099 /nfs/dbraw/zinc/80/80/99/605808099.db2.gz YMPBSRBHLCKUOU-SECBINFHSA-N -1 0 317.411 1.056 20 50 DDGDRM O=C([O-])N1CCCC(=NNC(=O)CNc2ccccc2F)CC1 ZINC000834007357 605990218 /nfs/dbraw/zinc/99/02/18/605990218.db2.gz SCHKAEUWJGGLLN-UHFFFAOYSA-N -1 0 322.340 1.874 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1cccnc1 ZINC000833831625 605999020 /nfs/dbraw/zinc/99/90/20/605999020.db2.gz QTCJMHKBYAFBHX-NHYWBVRUSA-N -1 0 320.349 1.059 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(C)o1 ZINC000832864946 600870420 /nfs/dbraw/zinc/87/04/20/600870420.db2.gz XSRJTAYRTGHOEU-QWRGUYRKSA-N -1 0 308.334 1.548 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)COc1ccc(F)cc1)c1ccccc1 ZINC000833115612 601453890 /nfs/dbraw/zinc/45/38/90/601453890.db2.gz WFHPGELFJIWRLJ-OAHLLOKOSA-N -1 0 318.304 1.651 20 50 DDGDRM CC(C)OCCCNC(=O)/C(C#N)=C\c1c[nH]c(C(=O)[O-])c1 ZINC000827027500 601790235 /nfs/dbraw/zinc/79/02/35/601790235.db2.gz MWQAZAVAMSGQBF-SDQBBNPISA-N -1 0 305.334 1.551 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=S)Nc1cccc(Cl)c1 ZINC000827303735 602265997 /nfs/dbraw/zinc/26/59/97/602265997.db2.gz ISHVLEZIMNLPDV-SSDOTTSWSA-N -1 0 315.782 1.768 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 ZINC000832276510 603449299 /nfs/dbraw/zinc/44/92/99/603449299.db2.gz BLLHWDOGIFLVLG-DTWKUNHWSA-N -1 0 308.294 1.474 20 50 DDGDRM CC(C)CCC(=O)NNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000824231840 603746742 /nfs/dbraw/zinc/74/67/42/603746742.db2.gz NNFYHMUYIKZGIT-NSHDSACASA-N -1 0 314.386 1.238 20 50 DDGDRM CC(C)C(=O)NNC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000824043803 604438665 /nfs/dbraw/zinc/43/86/65/604438665.db2.gz LWAHORBXXNZEMT-SNVBAGLBSA-N -1 0 322.365 1.502 20 50 DDGDRM C[C@@H](CC(=O)NNc1cnccn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824679117 604580627 /nfs/dbraw/zinc/58/06/27/604580627.db2.gz IHTFHAZEFGYAEX-WDEREUQCSA-N -1 0 307.354 1.336 20 50 DDGDRM CC(C)c1nnc(CCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)o1 ZINC000833512467 604802939 /nfs/dbraw/zinc/80/29/39/604802939.db2.gz XWINRAJJMSHUGY-UHFFFAOYSA-N -1 0 319.321 1.362 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NN=c1nc[nH]c2ccsc21 ZINC000832343172 605127056 /nfs/dbraw/zinc/12/70/56/605127056.db2.gz YOSRCWVMCAOFQK-SFYZADRCSA-N -1 0 321.362 1.571 20 50 DDGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000824299413 605159268 /nfs/dbraw/zinc/15/92/68/605159268.db2.gz JAAQJNYNGWQBBG-QMMMGPOBSA-N -1 0 311.298 1.115 20 50 DDGDRM Cn1cc(C=NNC(=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000830999698 605243099 /nfs/dbraw/zinc/24/30/99/605243099.db2.gz LWMSHOIOIZUATO-UHFFFAOYSA-N -1 0 316.317 1.850 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)CCc1ccc2ccccc2c1 ZINC000834200703 605456558 /nfs/dbraw/zinc/45/65/58/605456558.db2.gz OVCROHFKAAJFLS-UHFFFAOYSA-N -1 0 315.329 1.187 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000834202873 605470390 /nfs/dbraw/zinc/47/03/90/605470390.db2.gz ADGZXYUNLKNFFL-UHFFFAOYSA-N -1 0 321.333 1.037 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)C[C@@H]2CCCN2C(=O)[O-])c1 ZINC000833970058 605517078 /nfs/dbraw/zinc/51/70/78/605517078.db2.gz IAURSZPCGWUBPK-VIFPVBQESA-N -1 0 323.740 1.582 20 50 DDGDRM O=C([O-])N[C@@H](CNC(=O)NN=c1cc(Cl)cc[nH]1)C1CC1 ZINC000834146251 605539583 /nfs/dbraw/zinc/53/95/83/605539583.db2.gz YNIFCVJHWUNWAO-VIFPVBQESA-N -1 0 313.745 1.407 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000834126210 605598704 /nfs/dbraw/zinc/59/87/04/605598704.db2.gz IWDBUGCLYSXDCT-SNVBAGLBSA-N -1 0 308.294 1.474 20 50 DDGDRM N#C/C(=C/c1ccc(F)cc1)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833961376 605641954 /nfs/dbraw/zinc/64/19/54/605641954.db2.gz QZBPFFUPLKOVJH-XFXZXTDPSA-N -1 0 317.320 1.991 20 50 DDGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(C#N)cc1 ZINC000823849715 605675857 /nfs/dbraw/zinc/67/58/57/605675857.db2.gz IFEMCAUPFYNBBY-LLVKDONJSA-N -1 0 318.333 1.002 20 50 DDGDRM Cc1cc(C(=O)NN=C2CCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])[nH]n1 ZINC000833898425 605724720 /nfs/dbraw/zinc/72/47/20/605724720.db2.gz NMDRSNBKPIIHMT-GWCFXTLKSA-N -1 0 319.365 1.746 20 50 DDGDRM O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NNC(=O)C1CCC1 ZINC000834044262 605742769 /nfs/dbraw/zinc/74/27/69/605742769.db2.gz BYKHFUVVOXZRKO-DGCLKSJQSA-N -1 0 309.366 1.438 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CC(F)(F)F)ccc1NC(=O)[O-] ZINC000829957090 605807044 /nfs/dbraw/zinc/80/70/44/605807044.db2.gz VONLOESVSLXVMF-UHFFFAOYSA-N -1 0 319.239 1.798 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cc2ccccc2s1 ZINC000834229759 605977982 /nfs/dbraw/zinc/97/79/82/605977982.db2.gz IFVGKWPTHRAUAC-UHFFFAOYSA-N -1 0 321.358 1.710 20 50 DDGDRM COc1cc(C)[nH]c(=NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000831972836 601108297 /nfs/dbraw/zinc/10/82/97/601108297.db2.gz RUBWAVNYMQMOEY-UWVGGRQHSA-N -1 0 308.338 1.128 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000833001114 601384238 /nfs/dbraw/zinc/38/42/38/601384238.db2.gz VDOFNSWLPBTMJM-UHFFFAOYSA-N -1 0 312.738 1.955 20 50 DDGDRM N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833061525 601573428 /nfs/dbraw/zinc/57/34/28/601573428.db2.gz CPLNSOFOELQPKI-XJHOQXEQSA-N -1 0 317.301 1.635 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1Cl ZINC000827303957 602073423 /nfs/dbraw/zinc/07/34/23/602073423.db2.gz MPIYLLISLZWLOM-LURJTMIESA-N -1 0 319.144 1.865 20 50 DDGDRM C[C@H](C(=O)NNC(=O)C1CCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823706184 602910961 /nfs/dbraw/zinc/91/09/61/602910961.db2.gz ZXQKBQUYEPEMIX-GWCFXTLKSA-N -1 0 319.361 1.579 20 50 DDGDRM CC(C)(C)OC(=O)NC[C@H](C(=O)NNC(=O)[O-])c1ccccc1 ZINC000823817861 603217382 /nfs/dbraw/zinc/21/73/82/603217382.db2.gz RQDIGYAJWABXHP-NSHDSACASA-N -1 0 323.349 1.594 20 50 DDGDRM C[C@@H](C(=O)NNC(=O)C(C)(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823701155 603338601 /nfs/dbraw/zinc/33/86/01/603338601.db2.gz AHXHJAUGUILTQA-ZYHUDNBSSA-N -1 0 321.377 1.825 20 50 DDGDRM CCCCNC(=O)NNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000826837318 603414491 /nfs/dbraw/zinc/41/44/91/603414491.db2.gz XBRNBFIDNLAJNN-GFCCVEGCSA-N -1 0 322.365 1.168 20 50 DDGDRM Cc1nc(N)sc1C(=O)NN=Cc1ccc(NC(=O)[O-])nc1 ZINC000830765804 603487160 /nfs/dbraw/zinc/48/71/60/603487160.db2.gz WHYXENGLSBBAIN-UHFFFAOYSA-N -1 0 320.334 1.283 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)CCC(C)(C)NC(=O)[O-])n1 ZINC000830764431 603919780 /nfs/dbraw/zinc/91/97/80/603919780.db2.gz KKURPYIHMSESRT-UHFFFAOYSA-N -1 0 315.761 1.708 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000831742860 604007918 /nfs/dbraw/zinc/00/79/18/604007918.db2.gz SVRVONHWGJVFBR-SECBINFHSA-N -1 0 303.240 1.689 20 50 DDGDRM COc1cc(F)cc(NNC(=O)C[C@@H]2CCCN2C(=O)[O-])c1 ZINC000829141852 604316372 /nfs/dbraw/zinc/31/63/72/604316372.db2.gz JXAVEWGZMDTXHN-NSHDSACASA-N -1 0 311.313 1.810 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000830568121 604497064 /nfs/dbraw/zinc/49/70/64/604497064.db2.gz YGPDYTUPIQLUQZ-CHWSQXEVSA-N -1 0 319.361 1.121 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000832279364 605126022 /nfs/dbraw/zinc/12/60/22/605126022.db2.gz QKGHSAUFTLJJGT-SFYZADRCSA-N -1 0 321.362 1.571 20 50 DDGDRM O=C([O-])NC[C@H](C(=O)NNc1ccccn1)c1ccccc1 ZINC000834209668 605325992 /nfs/dbraw/zinc/32/59/92/605325992.db2.gz IGKPSBXWJVSIOH-LBPRGKRZSA-N -1 0 300.318 1.576 20 50 DDGDRM O=C([O-])NCC(=O)NNC(=S)Nc1ccc2ccccc2c1 ZINC000834204057 605390092 /nfs/dbraw/zinc/39/00/92/605390092.db2.gz VESDKYBBUSVVRP-UHFFFAOYSA-N -1 0 318.358 1.425 20 50 DDGDRM C[C@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCN(C(=O)[O-])C1 ZINC000825677479 605407483 /nfs/dbraw/zinc/40/74/83/605407483.db2.gz GXNJHPZVQIQPCK-ZDUSSCGKSA-N -1 0 308.294 1.428 20 50 DDGDRM O=C([O-])NNC(=O)CCc1cc(F)ccc1Br ZINC000834250877 605600021 /nfs/dbraw/zinc/60/00/21/605600021.db2.gz NVTCJGAZXQONTQ-UHFFFAOYSA-N -1 0 305.103 1.820 20 50 DDGDRM C#CCCOc1ccc(C=NNC(=O)CCNC(=O)[O-])cc1 ZINC000833787692 605748395 /nfs/dbraw/zinc/74/83/95/605748395.db2.gz XZUJXRROVGBIRJ-UHFFFAOYSA-N -1 0 303.318 1.197 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)[C@]2(C)CCCCN2C(=O)[O-])c(C)o1 ZINC000833898139 605861446 /nfs/dbraw/zinc/86/14/46/605861446.db2.gz JGVWGZHKDOUCIG-HNNXBMFYSA-N -1 0 323.349 1.580 20 50 DDGDRM O=C([O-])NNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000834250914 605992662 /nfs/dbraw/zinc/99/26/62/605992662.db2.gz ONLLMWGTYRNIHM-UHFFFAOYSA-N -1 0 312.123 1.772 20 50 DDGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)COc2ccc(F)cc2)C1 ZINC000834012155 606047876 /nfs/dbraw/zinc/04/78/76/606047876.db2.gz UHOZLIOVPIXSDD-NSHDSACASA-N -1 0 323.324 1.697 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1ccc(F)c(Cl)c1 ZINC000834243590 606054124 /nfs/dbraw/zinc/05/41/24/606054124.db2.gz PORAVCIPLRYHBD-UHFFFAOYSA-N -1 0 302.693 1.380 20 50 DDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccncc1 ZINC000826445932 608573818 /nfs/dbraw/zinc/57/38/18/608573818.db2.gz ROBXYXNPZDNQJB-UHFFFAOYSA-N -1 0 316.712 1.067 20 50 DDGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)o1 ZINC000824481646 603530352 /nfs/dbraw/zinc/53/03/52/603530352.db2.gz BQAZXYVFQIMROL-BDAKNGLRSA-N -1 0 321.337 1.549 20 50 DDGDRM O=C([O-])NCc1ccc(C(=O)NNc2nccnc2Cl)o1 ZINC000832701663 603622693 /nfs/dbraw/zinc/62/26/93/603622693.db2.gz CYEIPKLQMANAEE-UHFFFAOYSA-N -1 0 311.685 1.248 20 50 DDGDRM C[C@H]1CC/C(=C\C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC000825865946 603921030 /nfs/dbraw/zinc/92/10/30/603921030.db2.gz MIICCGAFXWZVJV-SPQRFVMMSA-N -1 0 324.381 1.206 20 50 DDGDRM CC(C)CC(=O)NNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000824171397 603933911 /nfs/dbraw/zinc/93/39/11/603933911.db2.gz ZOINQHUFRBCKGI-RYUDHWBXSA-N -1 0 313.398 1.787 20 50 DDGDRM CN(CC(=O)NNC(=O)[O-])c1ccc(C(F)(F)F)cc1C=O ZINC000828114382 603934666 /nfs/dbraw/zinc/93/46/66/603934666.db2.gz GSCRNDHXORWOJG-UHFFFAOYSA-N -1 0 319.239 1.253 20 50 DDGDRM CCOC(=O)NNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000827327564 603936594 /nfs/dbraw/zinc/93/65/94/603936594.db2.gz KXLUPQLYHMSBIN-UWVGGRQHSA-N -1 0 301.343 1.370 20 50 DDGDRM CC(C)NC(=O)NNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000824374966 603968215 /nfs/dbraw/zinc/96/82/15/603968215.db2.gz VWDGEYIXNWNWKN-WDEREUQCSA-N -1 0 314.386 1.332 20 50 DDGDRM N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000831065911 604105331 /nfs/dbraw/zinc/10/53/31/604105331.db2.gz SZSMZUVGNITQCU-RPHSKFLZSA-N -1 0 316.313 1.985 20 50 DDGDRM Cc1cc(OC(=O)[C@@H]2CSCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000830129866 604224997 /nfs/dbraw/zinc/22/49/97/604224997.db2.gz ZMBGYZFLIHHXQO-JTQLQIEISA-N -1 0 312.303 1.862 20 50 DDGDRM CN(C)c1cccc(C(=O)NN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000830643829 604987388 /nfs/dbraw/zinc/98/73/88/604987388.db2.gz MVRBDWHJBMPQRM-CQSZACIVSA-N -1 0 314.345 1.208 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccccc1F ZINC000833406494 605039990 /nfs/dbraw/zinc/03/99/90/605039990.db2.gz HBVMUCMMNNHLQM-NSHDSACASA-N -1 0 317.320 1.966 20 50 DDGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNC(=O)CC1CCCC1 ZINC000834135832 605315135 /nfs/dbraw/zinc/31/51/35/605315135.db2.gz NKAMTJMSXSOVLG-QMMMGPOBSA-N -1 0 307.297 1.006 20 50 DDGDRM O=C([O-])N1CCO[C@H](CC(=O)NNc2c(F)cccc2F)C1 ZINC000831388633 605350131 /nfs/dbraw/zinc/35/01/31/605350131.db2.gz XDSZHESRBGMGPV-MRVPVSSYSA-N -1 0 315.276 1.177 20 50 DDGDRM Cc1nc2scc(C3CC3)n2c1C=NNC(=O)CNC(=O)[O-] ZINC000833916102 605385815 /nfs/dbraw/zinc/38/58/15/605385815.db2.gz UZNQSMRCKGQOKB-UHFFFAOYSA-N -1 0 321.362 1.299 20 50 DDGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000832277476 605409343 /nfs/dbraw/zinc/40/93/43/605409343.db2.gz IIHRNWJKLLGZNB-PSASIEDQSA-N -1 0 308.294 1.474 20 50 DDGDRM COc1ccc2[nH]c(=NNC(=O)[C@H]3C[C@@H]3C(=O)[O-])c(C)cc2c1 ZINC000833735413 605413079 /nfs/dbraw/zinc/41/30/79/605413079.db2.gz ZWCJCZKVACPBLX-RYUDHWBXSA-N -1 0 315.329 1.716 20 50 DDGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)NCC(F)(F)F ZINC000824758958 605462436 /nfs/dbraw/zinc/46/24/36/605462436.db2.gz FSGGMWCIVDWCRS-QMMMGPOBSA-N -1 0 310.276 1.756 20 50 DDGDRM COCCO[C@H](C)C(=O)NN=C(C)C[C@H]1CCCN1C(=O)[O-] ZINC000828996295 605467230 /nfs/dbraw/zinc/46/72/30/605467230.db2.gz PONZPSCYGWCUPI-VXGBXAGGSA-N -1 0 315.370 1.063 20 50 DDGDRM COCCO[C@@H](C)C(=O)NN=C(C)C[C@H]1CCCN1C(=O)[O-] ZINC000828996293 605467358 /nfs/dbraw/zinc/46/73/58/605467358.db2.gz PONZPSCYGWCUPI-NWDGAFQWSA-N -1 0 315.370 1.063 20 50 DDGDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NNC(=O)c1ccccc1 ZINC000825831142 605503464 /nfs/dbraw/zinc/50/34/64/605503464.db2.gz KHMPXTONFLXGBI-CMPLNLGQSA-N -1 0 320.349 1.162 20 50 DDGDRM O=C([O-])NC[C@H](NC(=O)NN=c1cc(Cl)cc[nH]1)C1CC1 ZINC000834204345 605525452 /nfs/dbraw/zinc/52/54/52/605525452.db2.gz GFMAIKPRFPQAJH-VIFPVBQESA-N -1 0 313.745 1.407 20 50 DDGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)COc1ccccc1C#N ZINC000833801850 605622273 /nfs/dbraw/zinc/62/22/73/605622273.db2.gz MRAKZWUQFJTPHR-SNVBAGLBSA-N -1 0 318.333 1.475 20 50 DDGDRM N#Cc1ccc(NNC(=O)CC2CCN(C(=O)[O-])CC2)cc1 ZINC000833975692 605719100 /nfs/dbraw/zinc/71/91/00/605719100.db2.gz OWOJINJOXRHXFJ-UHFFFAOYSA-N -1 0 302.334 1.781 20 50 DDGDRM CC(=O)N1CCC(C(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833393891 605729985 /nfs/dbraw/zinc/72/99/85/605729985.db2.gz VJIRBIYOJLGPGE-UHFFFAOYSA-N -1 0 305.334 1.086 20 50 DDGDRM Cn1cc(C=NNC(=O)CCNC(=O)[O-])c(-c2cccs2)n1 ZINC000833948055 605746229 /nfs/dbraw/zinc/74/62/29/605746229.db2.gz SIEPLCDTEMZCJY-UHFFFAOYSA-N -1 0 321.362 1.256 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cnc(-c2ccccc2)s1 ZINC000834227155 605746844 /nfs/dbraw/zinc/74/68/44/605746844.db2.gz LOXYEKAZIHAXAY-UHFFFAOYSA-N -1 0 318.358 1.918 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNC(=O)c1c[nH]c2ccccc12 ZINC000834234143 605888845 /nfs/dbraw/zinc/88/88/45/605888845.db2.gz LLUOTYPPJCWYCQ-UHFFFAOYSA-N -1 0 318.333 1.367 20 50 DDGDRM N#Cc1ccc(NNC(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)cc1 ZINC000833976873 605963284 /nfs/dbraw/zinc/96/32/84/605963284.db2.gz ZHIDXTPKOVXCQY-CYBMUJFWSA-N -1 0 314.345 1.781 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000834230497 605974032 /nfs/dbraw/zinc/97/40/32/605974032.db2.gz FNTAJXPURCVUSX-STQMWFEESA-N -1 0 319.361 1.060 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)Cc1cc2ccccc2o1 ZINC000834232263 605974559 /nfs/dbraw/zinc/97/45/59/605974559.db2.gz YGODKTLUMBARAY-UHFFFAOYSA-N -1 0 319.317 1.171 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)NOC[C@H](C)NC(=O)[O-] ZINC000833921416 606069085 /nfs/dbraw/zinc/06/90/85/606069085.db2.gz ITXDZEJGFLDDRB-ZETCQYMHSA-N -1 0 318.761 1.056 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H](c1ccccc1)C1CC1 ZINC000834228231 606083527 /nfs/dbraw/zinc/08/35/27/606083527.db2.gz BHQAGQSESBTVCS-CQSZACIVSA-N -1 0 319.361 1.375 20 50 DDGDRM Cc1ccc(NC(=O)NNC(=O)[C@H]2C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000832948385 600815024 /nfs/dbraw/zinc/81/50/24/600815024.db2.gz JZWGCOAASYQIMY-JGVFFNPUSA-N -1 0 311.725 1.522 20 50 DDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2F)C1 ZINC000832281065 603430138 /nfs/dbraw/zinc/43/01/38/603430138.db2.gz XKRUUPQYINPDHI-BDAKNGLRSA-N -1 0 309.297 1.023 20 50 DDGDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NNC(=O)OC(C)(C)C ZINC000826116006 603629827 /nfs/dbraw/zinc/62/98/27/603629827.db2.gz NSWHAKHYEVHRRD-SFYZADRCSA-N -1 0 317.342 1.046 20 50 DDGDRM Cc1cc(=NNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)nc(C)[nH]1 ZINC000830123415 603638659 /nfs/dbraw/zinc/63/86/59/603638659.db2.gz VUNHNBFSJRONFE-GHMZBOCLSA-N -1 0 307.354 1.363 20 50 DDGDRM Cc1cc(=NNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)nc(C)[nH]1 ZINC000830123420 603639377 /nfs/dbraw/zinc/63/93/77/603639377.db2.gz VUNHNBFSJRONFE-WDEREUQCSA-N -1 0 307.354 1.363 20 50 DDGDRM O=C(CCC1CCCCC1)NNC(=O)CC1CN(C(=O)[O-])C1 ZINC000831424215 603741239 /nfs/dbraw/zinc/74/12/39/603741239.db2.gz OZRAAGLPMDWTCE-UHFFFAOYSA-N -1 0 311.382 1.494 20 50 DDGDRM Cc1csc(CC(=O)NN=CC2CCN(C(=O)[O-])CC2)n1 ZINC000830660402 603857991 /nfs/dbraw/zinc/85/79/91/603857991.db2.gz GLFKOVXFJKXQNL-UHFFFAOYSA-N -1 0 310.379 1.486 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NNc1cnnc2ccccc21 ZINC000831742923 604003220 /nfs/dbraw/zinc/00/32/20/604003220.db2.gz VZFMWVJXFXOQBU-GFCCVEGCSA-N -1 0 301.306 1.215 20 50 DDGDRM O=C([O-])N1CCC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F ZINC000831742806 604005592 /nfs/dbraw/zinc/00/55/92/604005592.db2.gz RRZGMEPTFCGFIN-SNVBAGLBSA-N -1 0 303.240 1.689 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)CCN(C(=O)[O-])C(C)C ZINC000830567095 604495396 /nfs/dbraw/zinc/49/53/96/604495396.db2.gz KRVQQJHYSJMRRV-UHFFFAOYSA-N -1 0 321.377 1.463 20 50 DDGDRM CC[C@@H](C)OCC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000825075505 607712030 /nfs/dbraw/zinc/71/20/30/607712030.db2.gz OQWJEWNDHPJANZ-MRVPVSSYSA-N -1 0 323.357 1.236 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)c(C)o1 ZINC000833899039 605388945 /nfs/dbraw/zinc/38/89/45/605388945.db2.gz WKVTUVORGJSZCY-LLVKDONJSA-N -1 0 323.349 1.438 20 50 DDGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)Cc1cccnc1 ZINC000824759522 605465827 /nfs/dbraw/zinc/46/58/27/605465827.db2.gz NFFFTUIKTCHLJZ-ZDUSSCGKSA-N -1 0 304.350 1.649 20 50 DDGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1cc(C#N)cc(Cl)n1 ZINC000833467135 605513771 /nfs/dbraw/zinc/51/37/71/605513771.db2.gz CVZMNYVCYPZIEQ-JTQLQIEISA-N -1 0 311.729 1.342 20 50 DDGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)CNc1ccc(C)cc1 ZINC000833801896 605622050 /nfs/dbraw/zinc/62/20/50/605622050.db2.gz NFZJNSUVLQRCKG-NSHDSACASA-N -1 0 306.366 1.945 20 50 DDGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000833454935 605704712 /nfs/dbraw/zinc/70/47/12/605704712.db2.gz YBTGONCOGKQOIZ-LBPRGKRZSA-N -1 0 320.345 1.029 20 50 DDGDRM C[C@@H](Oc1cccnc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833543416 605721876 /nfs/dbraw/zinc/72/18/76/605721876.db2.gz SIBVMENVBZVPGI-SNVBAGLBSA-N -1 0 301.302 1.690 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1csc(-c2ccsc2)n1 ZINC000834227152 605749210 /nfs/dbraw/zinc/74/92/10/605749210.db2.gz LFJYNAXUVOKETO-UHFFFAOYSA-N -1 0 324.387 1.979 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(F)c(Cl)c1 ZINC000834228499 605797116 /nfs/dbraw/zinc/79/71/16/605797116.db2.gz JGNHHLUSXLTGMY-UHFFFAOYSA-N -1 0 301.705 1.977 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNc1ncc(F)cn1 ZINC000833826468 606080894 /nfs/dbraw/zinc/08/08/94/606080894.db2.gz HAYXKTCHACNHKO-ZANVPECISA-N -1 0 311.317 1.275 20 50 DDGDRM CC1(C)C[C@@H]1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824795605 608578065 /nfs/dbraw/zinc/57/80/65/608578065.db2.gz AQEVQWUYIYKXPC-SSDOTTSWSA-N -1 0 307.745 1.404 20 50 DDGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)NCc2ccco2)C1 ZINC000833147212 600912803 /nfs/dbraw/zinc/91/28/03/600912803.db2.gz YDJLKFPXDLQJCH-UWVGGRQHSA-N -1 0 309.322 1.001 20 50 DDGDRM Cn1cc(C#N)cc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000833041441 601267211 /nfs/dbraw/zinc/26/72/11/601267211.db2.gz LJIXEEYLOCEVCV-UHFFFAOYSA-N -1 0 315.241 1.722 20 50 DDGDRM O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(CCCl)cc1 ZINC000833248332 601402690 /nfs/dbraw/zinc/40/26/90/601402690.db2.gz OJIPGZJJZYECKJ-UHFFFAOYSA-N -1 0 317.794 1.706 20 50 DDGDRM CC(C)(CNC(=O)NNC(=O)c1c[nH]c2ccccc12)C(=O)[O-] ZINC000826584643 601682659 /nfs/dbraw/zinc/68/26/59/601682659.db2.gz DQRXSTVDHLUKCD-UHFFFAOYSA-N -1 0 318.333 1.223 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833015264 601709436 /nfs/dbraw/zinc/70/94/36/601709436.db2.gz CCVLBKFIHFLMKW-ZDUSSCGKSA-N -1 0 317.748 1.378 20 50 DDGDRM C[C@H](CC(=O)NNc1ccc(Br)cc1)NC(=O)[O-] ZINC000824678558 603453954 /nfs/dbraw/zinc/45/39/54/603453954.db2.gz BVYNNNIRGXINFT-SSDOTTSWSA-N -1 0 316.155 1.938 20 50 DDGDRM CC[C@@H]1Oc2cc([C@H](C)NC(=O)NNC(=O)[O-])ccc2NC1=O ZINC000826698914 603466595 /nfs/dbraw/zinc/46/65/95/603466595.db2.gz IGIRXHOEUYBTBQ-XVKPBYJWSA-N -1 0 322.321 1.339 20 50 DDGDRM CC(=NNC(=O)NC1CCN(C(=O)[O-])CC1)C1CCOCC1 ZINC000823528952 603485975 /nfs/dbraw/zinc/48/59/75/603485975.db2.gz ZFUTVNNXGUPRIV-UHFFFAOYSA-N -1 0 312.370 1.231 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C1CCc2cc(Cl)ccc21 ZINC000832652449 603631974 /nfs/dbraw/zinc/63/19/74/603631974.db2.gz ATOGBRWAOWTCNI-UHFFFAOYSA-N -1 0 310.741 1.557 20 50 DDGDRM C[C@H](C(=O)NNc1cccnn1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702725 603636250 /nfs/dbraw/zinc/63/62/50/603636250.db2.gz LWTJBWQZRXTBAG-GWCFXTLKSA-N -1 0 315.333 1.565 20 50 DDGDRM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)[O-] ZINC000824204216 603657241 /nfs/dbraw/zinc/65/72/41/603657241.db2.gz OYSQSBSTCAYWMU-VIFPVBQESA-N -1 0 318.374 1.408 20 50 DDGDRM CC(C)N(CCC(=O)NNc1ccncc1Cl)C(=O)[O-] ZINC000824341328 603803694 /nfs/dbraw/zinc/80/36/94/603803694.db2.gz JMOLJCAMJVKCEU-UHFFFAOYSA-N -1 0 300.746 1.379 20 50 DDGDRM Cc1nc(Cl)cc(NNC(=O)[C@H](C)CN(C)C(=O)[O-])n1 ZINC000830764077 603919725 /nfs/dbraw/zinc/91/97/25/603919725.db2.gz HPDNLSYECHKTID-ZCFIWIBFSA-N -1 0 301.734 1.127 20 50 DDGDRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NNC(=O)c1ccoc1 ZINC000832357238 603972496 /nfs/dbraw/zinc/97/24/96/603972496.db2.gz GSRDXBRBNFQGLP-VXGBXAGGSA-N -1 0 323.349 1.647 20 50 DDGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNc1ccc(F)cn1 ZINC000824204288 603998592 /nfs/dbraw/zinc/99/85/92/603998592.db2.gz PZSWPAQNJZXFCJ-JTQLQIEISA-N -1 0 313.333 1.529 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=Cc1cc(F)cc2cccnc12 ZINC000832653311 604420472 /nfs/dbraw/zinc/42/04/72/604420472.db2.gz VOBRIJQUERIKOH-UHFFFAOYSA-N -1 0 319.296 1.275 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830566770 604497057 /nfs/dbraw/zinc/49/70/57/604497057.db2.gz GJDREPVZXDPYIM-CHWSQXEVSA-N -1 0 319.361 1.121 20 50 DDGDRM CC(C)CC(=O)NNC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000824170190 604678874 /nfs/dbraw/zinc/67/88/74/604678874.db2.gz HIYZGZUYXVDTCI-LLVKDONJSA-N -1 0 313.398 1.596 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccccn1 ZINC000833406444 605039925 /nfs/dbraw/zinc/03/99/25/605039925.db2.gz GNIOSNAUOIMQQC-LLVKDONJSA-N -1 0 300.318 1.222 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000831366741 605126202 /nfs/dbraw/zinc/12/62/02/605126202.db2.gz WXVSNCOMDIDWLH-UHFFFAOYSA-N -1 0 307.335 1.134 20 50 DDGDRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NN=c1nc[nH]c2ccsc21 ZINC000832343170 605126367 /nfs/dbraw/zinc/12/63/67/605126367.db2.gz YOSRCWVMCAOFQK-HTQZYQBOSA-N -1 0 321.362 1.571 20 50 DDGDRM Cc1ccc(F)c(NNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000830333395 605401230 /nfs/dbraw/zinc/40/12/30/605401230.db2.gz VPQDATHSKKEQLZ-JTQLQIEISA-N -1 0 311.313 1.346 20 50 DDGDRM CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](COC)C(=O)[O-])cc1 ZINC000833663431 605416707 /nfs/dbraw/zinc/41/67/07/605416707.db2.gz JGXOBRFIQKTYAB-CEFACKQISA-N -1 0 318.329 1.208 20 50 DDGDRM O=C([O-])N1CCC(CC(=O)NN=c2[nH]c3ccccc3[nH]2)CC1 ZINC000833988644 605507420 /nfs/dbraw/zinc/50/74/20/605507420.db2.gz WPXVKSBBYXDBFU-UHFFFAOYSA-N -1 0 317.349 1.786 20 50 DDGDRM N#Cc1cc(Cl)nc(NNC(=O)C2(NC(=O)[O-])CCCC2)c1 ZINC000833970871 605545084 /nfs/dbraw/zinc/54/50/84/605545084.db2.gz VUZUMVNONLBMCH-UHFFFAOYSA-N -1 0 323.740 1.630 20 50 DDGDRM O=C([O-])NC[C@@H](C(=O)NNc1ncc(F)cn1)c1ccccc1 ZINC000834211559 605613863 /nfs/dbraw/zinc/61/38/63/605613863.db2.gz XTBFSYVNNZQFQG-LLVKDONJSA-N -1 0 319.296 1.110 20 50 DDGDRM CC(C)(C)OC(=O)NCCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833443371 605734674 /nfs/dbraw/zinc/73/46/74/605734674.db2.gz XBOYQYQOUHZSMX-UHFFFAOYSA-N -1 0 323.349 1.743 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1C(=O)NNc1cccc2c1CCCC2 ZINC000834048156 605735438 /nfs/dbraw/zinc/73/54/38/605735438.db2.gz JTLAUTBCFOCQDP-AWEZNQCLSA-N -1 0 319.361 1.387 20 50 DDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2cccc3cnccc32)C1 ZINC000834085019 605737629 /nfs/dbraw/zinc/73/76/29/605737629.db2.gz OUCHELBKPAPQKL-HNNXBMFYSA-N -1 0 318.308 1.770 20 50 DDGDRM CCCNC(=O)NN=C1CCC[C@H]1[C@H]1COCCN1C(=O)[O-] ZINC000833855635 605742149 /nfs/dbraw/zinc/74/21/49/605742149.db2.gz JWNXMARVZGWBMX-ZYHUDNBSSA-N -1 0 312.370 1.231 20 50 DDGDRM CCN(C)c1ccc(C(C)=NNC(=O)CCNC(=O)[O-])cc1 ZINC000833856758 605746352 /nfs/dbraw/zinc/74/63/52/605746352.db2.gz TVEYCAUVJMAMLQ-UHFFFAOYSA-N -1 0 306.366 1.641 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)c2cccnc2)ccc1NC(=O)[O-] ZINC000829962136 605804501 /nfs/dbraw/zinc/80/45/01/605804501.db2.gz TZHZDTBHBJQUIH-UHFFFAOYSA-N -1 0 314.301 1.555 20 50 DDGDRM O=C([O-])Nc1ncccc1C=NNC(=O)c1ccc(O)cc1 ZINC000834283926 605954928 /nfs/dbraw/zinc/95/49/28/605954928.db2.gz ZDLGSRNOQWWAKT-UHFFFAOYSA-N -1 0 300.274 1.641 20 50 DDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1ccccc1 ZINC000833826146 605999090 /nfs/dbraw/zinc/99/90/90/605999090.db2.gz FJMPVMSIVJATKH-LRDDRELGSA-N -1 0 319.361 1.664 20 50 DDGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1cccnc1 ZINC000833831623 605999111 /nfs/dbraw/zinc/99/91/11/605999111.db2.gz QTCJMHKBYAFBHX-IAQYHMDHSA-N -1 0 320.349 1.059 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2ccc(Cl)nc2)cn1 ZINC000834277571 606070039 /nfs/dbraw/zinc/07/00/39/606070039.db2.gz NEPHAZPSKPYXCY-UHFFFAOYSA-N -1 0 308.685 1.372 20 50 DDGDRM CC1(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CCCC1 ZINC000824783943 608629262 /nfs/dbraw/zinc/62/92/62/608629262.db2.gz KZPXTTGARAPDTA-UHFFFAOYSA-N -1 0 321.772 1.939 20 50 DDGDRM O=C([O-])c1cc(C(=O)NNC(=O)CCc2ccccc2)ccn1 ZINC000833102550 601282054 /nfs/dbraw/zinc/28/20/54/601282054.db2.gz MDEMKYOLGDUAET-UHFFFAOYSA-N -1 0 313.313 1.174 20 50 DDGDRM Cc1ccc(NCC(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)c(C)c1 ZINC000832952258 601336613 /nfs/dbraw/zinc/33/66/13/601336613.db2.gz VVIXDDBCHILHQW-UHFFFAOYSA-N -1 0 314.345 1.892 20 50 DDGDRM Cc1cc(C(=O)NNC(=O)C(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000832864535 601675775 /nfs/dbraw/zinc/67/57/75/601675775.db2.gz MLZBUXDCKNAFRT-UHFFFAOYSA-N -1 0 322.361 1.574 20 50 DDGDRM CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC)C(=O)[O-])cc1 ZINC000830063621 601752058 /nfs/dbraw/zinc/75/20/58/601752058.db2.gz FGYVUIHBRSAMNM-TZIYXEQSSA-N -1 0 302.330 1.972 20 50 DDGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000827304097 602144796 /nfs/dbraw/zinc/14/47/96/602144796.db2.gz OXDXUQBGCYLBAN-LURJTMIESA-N -1 0 319.144 1.865 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)C[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000827578118 603225452 /nfs/dbraw/zinc/22/54/52/603225452.db2.gz VTQIEHHFSCQLTP-ZDUSSCGKSA-N -1 0 319.361 1.543 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1NC(=O)[O-] ZINC000830225887 603246234 /nfs/dbraw/zinc/24/62/34/603246234.db2.gz ZJGNWNFIIMLCHR-UHFFFAOYSA-N -1 0 302.290 1.488 20 50 DDGDRM CCCNC(=O)NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826925337 603418142 /nfs/dbraw/zinc/41/81/42/603418142.db2.gz FMZDHXJTISHZRB-ZYHUDNBSSA-N -1 0 322.365 1.372 20 50 DDGDRM O=C([O-])N(CC(=O)NNc1cc(F)c(F)cc1F)CC1CC1 ZINC000831464397 603624793 /nfs/dbraw/zinc/62/47/93/603624793.db2.gz PQZZWVFBQAAVEC-UHFFFAOYSA-N -1 0 317.267 1.937 20 50 DDGDRM Cc1cc(C)[nH]c(=NNC(=O)N[C@H](CNC(=O)[O-])CC(C)C)n1 ZINC000830025893 603663172 /nfs/dbraw/zinc/66/31/72/603663172.db2.gz SAWHNRAMVZAZDP-NSHDSACASA-N -1 0 324.385 1.402 20 50 DDGDRM COc1ccc(OC(F)F)c(CNC(=O)NNC(=O)[O-])c1 ZINC000829488275 603772248 /nfs/dbraw/zinc/77/22/48/603772248.db2.gz GSNSVLWOKPQNSM-UHFFFAOYSA-N -1 0 305.237 1.278 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000830552870 603865216 /nfs/dbraw/zinc/86/52/16/603865216.db2.gz CJIBTRCETIWTEC-OAHLLOKOSA-N -1 0 305.334 1.146 20 50 DDGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NNc1ccc(F)cn1 ZINC000826795294 603892737 /nfs/dbraw/zinc/89/27/37/603892737.db2.gz OJMJONGNPUQVIG-SNVBAGLBSA-N -1 0 313.333 1.673 20 50 DDGDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)C1CCCC1 ZINC000826796137 603904077 /nfs/dbraw/zinc/90/40/77/603904077.db2.gz TYUHAWZFPAPJSQ-NSHDSACASA-N -1 0 314.386 1.333 20 50 DDGDRM O=C([O-])N1CC(CC(=O)NNc2cccc(C(F)(F)F)n2)C1 ZINC000831366638 604066909 /nfs/dbraw/zinc/06/69/09/604066909.db2.gz RSIXGWHFSBYAFF-UHFFFAOYSA-N -1 0 318.255 1.543 20 50 DDGDRM C[C@@H](Cc1ccccc1Br)NC(=O)NNC(=O)[O-] ZINC000825024614 604416029 /nfs/dbraw/zinc/41/60/29/604416029.db2.gz UHWQOHLJASRDLH-ZETCQYMHSA-N -1 0 316.155 1.862 20 50 DDGDRM CCC[C@](C)(NC(=O)[O-])C(=O)NNC(=O)Cc1ccccc1C ZINC000826720360 604494437 /nfs/dbraw/zinc/49/44/37/604494437.db2.gz HZGBQQAHQYNTPA-INIZCTEOSA-N -1 0 321.377 1.511 20 50 DDGDRM O=C([O-])N1CC(NC(=O)NNc2cc(F)c(F)c(F)c2)C1 ZINC000831742557 604609315 /nfs/dbraw/zinc/60/93/15/604609315.db2.gz KDAUAENGYBWXKN-UHFFFAOYSA-N -1 0 304.228 1.092 20 50 DDGDRM C[C@H](Oc1ccc(F)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833541134 604800966 /nfs/dbraw/zinc/80/09/66/604800966.db2.gz ZGNYCECHOWPIBF-VIFPVBQESA-N -1 0 319.292 1.830 20 50 DDGDRM C[C@H]1CCC[C@H](OCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)C1 ZINC000833609790 604805365 /nfs/dbraw/zinc/80/53/65/604805365.db2.gz SMABRKOAXTZVMQ-JQWIXIFHSA-N -1 0 307.350 1.818 20 50 DDGDRM CC[C@H](NC(=O)[O-])C(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000827524532 605159103 /nfs/dbraw/zinc/15/91/03/605159103.db2.gz LHECGVRNMIQUDI-NSHDSACASA-N -1 0 315.333 1.633 20 50 DDGDRM CC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833397948 605312330 /nfs/dbraw/zinc/31/23/30/605312330.db2.gz RXPDBEAWNJTSBQ-ZDUSSCGKSA-N -1 0 307.350 1.379 20 50 DDGDRM O=C([O-])N1[C@H](C(=O)NNc2ccccn2)C[C@@H]2CCCC[C@@H]21 ZINC000834047510 605323510 /nfs/dbraw/zinc/32/35/10/605323510.db2.gz GSVJKGOVHNJVOS-SRVKXCTJSA-N -1 0 304.350 1.836 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cnc(-c2cccs2)s1 ZINC000834202082 605388043 /nfs/dbraw/zinc/38/80/43/605388043.db2.gz REMBZVMKRRISGX-UHFFFAOYSA-N -1 0 310.360 1.589 20 50 DDGDRM O=C([O-])c1ccccc1NNC(=O)Cc1csc2nccn12 ZINC000833765303 605722671 /nfs/dbraw/zinc/72/26/71/605722671.db2.gz HDZXIQXPRQSCNU-UHFFFAOYSA-N -1 0 316.342 1.780 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000834231353 605974129 /nfs/dbraw/zinc/97/41/29/605974129.db2.gz LFAPMUPCMPOHJQ-UHFFFAOYSA-N -1 0 323.136 1.130 20 50 DDGDRM O=C([O-])NNC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000834250432 605991199 /nfs/dbraw/zinc/99/11/99/605991199.db2.gz GLNDDAVWDHVTIO-UHFFFAOYSA-N -1 0 312.175 1.802 20 50 DDGDRM N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833061358 601447574 /nfs/dbraw/zinc/44/75/74/601447574.db2.gz AJTBDQKGNQBHME-NQADCFBISA-N -1 0 305.265 1.958 20 50 DDGDRM Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832977284 602056634 /nfs/dbraw/zinc/05/66/34/602056634.db2.gz HHPIUFBHASWPBD-KGLIPLIRSA-N -1 0 318.373 1.576 20 50 DDGDRM O=C([O-])NC[C@H](C(=O)NNC(=O)c1ccoc1)c1ccccc1 ZINC000832408007 602770162 /nfs/dbraw/zinc/77/01/62/602770162.db2.gz MKIVFNISPQNVGP-LBPRGKRZSA-N -1 0 317.301 1.092 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830555768 603435297 /nfs/dbraw/zinc/43/52/97/603435297.db2.gz ZJROJWJEWOIHHN-GHMZBOCLSA-N -1 0 305.334 1.192 20 50 DDGDRM O=C([O-])NCCNC(=O)NN=C[C@H]1CCCc2ccccc21 ZINC000832652900 603727881 /nfs/dbraw/zinc/72/78/81/603727881.db2.gz NCWGHVUPDYIHJU-GFCCVEGCSA-N -1 0 304.350 1.659 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000831730408 603857994 /nfs/dbraw/zinc/85/79/94/603857994.db2.gz GNKRGFSXMJIIFW-AWEZNQCLSA-N -1 0 317.345 1.482 20 50 DDGDRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NNc1ccc(F)cc1 ZINC000832472785 604178579 /nfs/dbraw/zinc/17/85/79/604178579.db2.gz AGIWSWZFNSAWDB-BXKDBHETSA-N -1 0 310.329 1.888 20 50 DDGDRM COc1ccc(NNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000829484614 604222034 /nfs/dbraw/zinc/22/20/34/604222034.db2.gz VHPNXCSBYACDIA-PWSUYJOCSA-N -1 0 307.350 1.965 20 50 DDGDRM COC(=O)Nc1cc(C(=O)NNC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828714377 604283826 /nfs/dbraw/zinc/28/38/26/604283826.db2.gz SHVRCHCKWVTWDG-UHFFFAOYSA-N -1 0 321.211 1.796 20 50 DDGDRM Cc1ccc(SCC(=O)NNC(=O)C2(NC(=O)[O-])CC2)cc1 ZINC000830420831 604420974 /nfs/dbraw/zinc/42/09/74/604420974.db2.gz DZZCSGHREVQQJU-UHFFFAOYSA-N -1 0 323.374 1.035 20 50 DDGDRM COc1ccc(CCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833731430 604805973 /nfs/dbraw/zinc/80/59/73/604805973.db2.gz BDIPHVNWIRHPNA-UHFFFAOYSA-N -1 0 315.329 1.864 20 50 DDGDRM CC(C)(C)n1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cn1 ZINC000833453158 604806871 /nfs/dbraw/zinc/80/68/71/604806871.db2.gz VJYGNXLZKJTLAS-UHFFFAOYSA-N -1 0 303.322 1.488 20 50 DDGDRM COc1ccc(NNC(=O)CCSCC(=O)[O-])cc1Cl ZINC000833733051 605244495 /nfs/dbraw/zinc/24/44/95/605244495.db2.gz ANCSSONAZGEVGB-UHFFFAOYSA-N -1 0 318.782 2.000 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1cc(-n2ccnc2)cs1 ZINC000834227997 605308532 /nfs/dbraw/zinc/30/85/32/605308532.db2.gz WBEWRDPYHGDPGL-UHFFFAOYSA-N -1 0 307.335 1.042 20 50 DDGDRM Cc1cc(C)c(NNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c(C)c1 ZINC000829996642 605372173 /nfs/dbraw/zinc/37/21/73/605372173.db2.gz CVMSUOORYSXJPL-CYBMUJFWSA-N -1 0 321.377 1.824 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1cc(F)cc(C(F)(F)F)c1 ZINC000834199722 605383606 /nfs/dbraw/zinc/38/36/06/605383606.db2.gz KIGLWGUQLWMHFO-UHFFFAOYSA-N -1 0 307.203 1.562 20 50 DDGDRM O=C([O-])NCC(=O)NN=Cc1ccc(Cl)c2cccnc12 ZINC000834202246 605387855 /nfs/dbraw/zinc/38/78/55/605387855.db2.gz RZFKXQKBZCMSFA-UHFFFAOYSA-N -1 0 306.709 1.606 20 50 DDGDRM O=C([O-])NCc1cccc(NC(=O)NNc2ccccn2)c1 ZINC000834247951 605608384 /nfs/dbraw/zinc/60/83/84/605608384.db2.gz ZEHRNZZDHNQGTC-UHFFFAOYSA-N -1 0 301.306 1.998 20 50 DDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)C1CCC1)c1ccccc1 ZINC000834127141 605609997 /nfs/dbraw/zinc/60/99/97/605609997.db2.gz NKFCNZOALVEFPQ-LBPRGKRZSA-N -1 0 305.334 1.333 20 50 DDGDRM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1ccccc1F ZINC000833989003 605717014 /nfs/dbraw/zinc/71/70/14/605717014.db2.gz SAEIFWFCKPOPFA-SECBINFHSA-N -1 0 313.354 1.754 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1c(C2CC2)nc2sccn12 ZINC000834227581 605747773 /nfs/dbraw/zinc/74/77/73/605747773.db2.gz ITBSIZZDJBTHAP-UHFFFAOYSA-N -1 0 321.362 1.381 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000834228715 605800257 /nfs/dbraw/zinc/80/02/57/605800257.db2.gz OOBMOWNHMQGNQH-MRITUFNUSA-N -1 0 320.305 1.758 20 50 DDGDRM CCc1[nH]c(C(=O)NNc2ccnc(F)c2)c(C)c1C(=O)[O-] ZINC000833667524 605857006 /nfs/dbraw/zinc/85/70/06/605857006.db2.gz IWOAZMNJTFGMNL-UHFFFAOYSA-N -1 0 306.297 1.875 20 50 DDGDRM O=C([O-])NCCC(=O)NN=Cc1c(Cl)ccc2cccnc21 ZINC000834227924 605857326 /nfs/dbraw/zinc/85/73/26/605857326.db2.gz SSMBGFXATZPHHT-UHFFFAOYSA-N -1 0 320.736 1.996 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2cccc(F)c2F)cn1 ZINC000834277764 606060712 /nfs/dbraw/zinc/06/07/12/606060712.db2.gz QNNWXSWOOJZBOF-UHFFFAOYSA-N -1 0 309.232 1.602 20 50 DDGDRM C[C@@H](C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CC1 ZINC000824040307 608575509 /nfs/dbraw/zinc/57/55/09/608575509.db2.gz OBMHVRYAVBTLHN-ZCFIWIBFSA-N -1 0 307.745 1.404 20 50 DDGDRM Cc1occc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826342764 608578611 /nfs/dbraw/zinc/57/86/11/608578611.db2.gz YTARVWJEKGQZNO-UHFFFAOYSA-N -1 0 319.712 1.573 20 50 DDGDRM N#Cc1cccc([C@H](NNC(=O)CCc2ccco2)C(=O)[O-])c1 ZINC000833075138 601303515 /nfs/dbraw/zinc/30/35/15/601303515.db2.gz IDCCOEZCILUSKQ-HNNXBMFYSA-N -1 0 313.313 1.531 20 50 DDGDRM C/C(=C/COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)[O-] ZINC000825745615 601413047 /nfs/dbraw/zinc/41/30/47/601413047.db2.gz ASKALMGLLFGHMG-ZARLMQKNSA-N -1 0 313.313 1.686 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc2ccccc2c1 ZINC000827304068 602103920 /nfs/dbraw/zinc/10/39/20/602103920.db2.gz OJZXVWTZCLRFIK-SNVBAGLBSA-N -1 0 300.314 1.712 20 50 DDGDRM Cc1cc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)[nH]n1 ZINC000832864879 602185553 /nfs/dbraw/zinc/18/55/53/602185553.db2.gz WBMYZRRDRVCLFD-UHFFFAOYSA-N -1 0 311.301 1.662 20 50 DDGDRM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NNC(=O)[O-])cc1 ZINC000830282125 603443329 /nfs/dbraw/zinc/44/33/29/603443329.db2.gz OBTCPQKGKPARIL-QWHCGFSZSA-N -1 0 307.350 1.945 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNC(=O)CC2CCCC2)C1 ZINC000832325894 603542057 /nfs/dbraw/zinc/54/20/57/603542057.db2.gz OQCYUKHPXXMQDT-NEPJUHHUSA-N -1 0 311.382 1.541 20 50 DDGDRM O=C([O-])NCC1(C(=O)NNc2ccncc2Cl)CCCC1 ZINC000832443014 603806056 /nfs/dbraw/zinc/80/60/56/603806056.db2.gz KHGXKPPLVUNFGV-UHFFFAOYSA-N -1 0 312.757 1.428 20 50 DDGDRM N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000831065909 604105351 /nfs/dbraw/zinc/10/53/51/604105351.db2.gz SZSMZUVGNITQCU-LLBKUYECSA-N -1 0 316.313 1.985 20 50 DDGDRM COc1ccc(NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC000829482997 604221959 /nfs/dbraw/zinc/22/19/59/604221959.db2.gz CFKCUVYBPKVUED-CYBMUJFWSA-N -1 0 323.349 1.297 20 50 DDGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1F ZINC000833149099 604811825 /nfs/dbraw/zinc/81/18/25/604811825.db2.gz DTWBUQWRBRLHCG-UHFFFAOYSA-N -1 0 318.260 1.304 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)Cc1ccc(F)cc1)c1cccnc1 ZINC000833118068 604987933 /nfs/dbraw/zinc/98/79/33/604987933.db2.gz HOFNCGDYWIXZJM-CQSZACIVSA-N -1 0 303.293 1.210 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cccc(C#N)c1 ZINC000833406196 605039703 /nfs/dbraw/zinc/03/97/03/605039703.db2.gz LOQTZEPZVZHJCI-NSHDSACASA-N -1 0 310.313 1.769 20 50 DDGDRM Cc1cc[nH]c(=NNC(=O)C[C@H]2CSCCN2C(=O)[O-])c1 ZINC000830611383 605326431 /nfs/dbraw/zinc/32/64/31/605326431.db2.gz JOUGMCZKWLBSAX-JTQLQIEISA-N -1 0 310.379 1.319 20 50 DDGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)Cc1cc(C)[nH]n1 ZINC000824759174 605462475 /nfs/dbraw/zinc/46/24/75/605462475.db2.gz JCYLPSCLYDZFAE-GFCCVEGCSA-N -1 0 307.354 1.285 20 50 DDGDRM O=C([O-])N1CC(C(=O)NNC(=O)c2ccc3ccccc3c2)C1 ZINC000834046184 605516657 /nfs/dbraw/zinc/51/66/57/605516657.db2.gz YOQLYPRUBGCQOD-UHFFFAOYSA-N -1 0 313.313 1.211 20 50 DDGDRM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NN=c1nccc[nH]1 ZINC000831742377 605614489 /nfs/dbraw/zinc/61/44/89/605614489.db2.gz CUQMNVKGPJZPKQ-LBPRGKRZSA-N -1 0 313.317 1.197 20 50 DDGDRM C[C@@H](NC(=O)[O-])C(=O)NNc1cccc(Br)c1 ZINC000833894821 605715399 /nfs/dbraw/zinc/71/53/99/605715399.db2.gz HSGJPJIIFWKJDG-ZCFIWIBFSA-N -1 0 302.128 1.548 20 50 DDGDRM C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833536225 605732573 /nfs/dbraw/zinc/73/25/73/605732573.db2.gz PSIXEZYUAYBLSV-FZMZJTMJSA-N -1 0 322.361 1.802 20 50 DDGDRM O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NNC(=O)c1ccoc1 ZINC000834045983 605742600 /nfs/dbraw/zinc/74/26/00/605742600.db2.gz VFAVKMNBQRRYPV-YPMHNXCESA-N -1 0 321.333 1.544 20 50 DDGDRM C[C@H](O)CC(C)(C)CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833527667 605743858 /nfs/dbraw/zinc/74/38/58/605743858.db2.gz LSDCQWDHPWPNCK-JTQLQIEISA-N -1 0 309.366 1.808 20 50 DDGDRM O=C([O-])NCCC(=O)NN=C1CSCCc2ccccc21 ZINC000834227580 605750138 /nfs/dbraw/zinc/75/01/38/605750138.db2.gz IPJRKSLMIVVSIC-UHFFFAOYSA-N -1 0 307.375 1.454 20 50 DDGDRM O=C([O-])Nc1ncccc1C=NNC(=O)CNc1ccccc1 ZINC000834279495 605954809 /nfs/dbraw/zinc/95/48/09/605954809.db2.gz JPFYZWDLKWJIED-UHFFFAOYSA-N -1 0 313.317 1.734 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)NCc2ccco2)C1 ZINC000833147213 600912764 /nfs/dbraw/zinc/91/27/64/600912764.db2.gz YDJLKFPXDLQJCH-VHSXEESVSA-N -1 0 309.322 1.001 20 50 DDGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)CCc2ccco2)C1 ZINC000833103520 600918496 /nfs/dbraw/zinc/91/84/96/600918496.db2.gz PNFJGLCNVJPHKS-GHMZBOCLSA-N -1 0 308.334 1.251 20 50 DDGDRM COc1cc(NC(=O)NNC(=O)[O-])ccc1Br ZINC000832022298 601135954 /nfs/dbraw/zinc/13/59/54/601135954.db2.gz QGNJYRLLAYBDPZ-UHFFFAOYSA-N -1 0 304.100 1.762 20 50 DDGDRM N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833061523 601573385 /nfs/dbraw/zinc/57/33/85/601573385.db2.gz CPLNSOFOELQPKI-QVXXFUFASA-N -1 0 317.301 1.635 20 50 DDGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CCCCC2 ZINC000827304503 602073533 /nfs/dbraw/zinc/07/35/33/602073533.db2.gz WGYFGSHTWZBJEJ-SECBINFHSA-N -1 0 324.402 1.889 20 50 DDGDRM CC(C)[C@@H](C(=O)NNC(=O)NCCNC(=O)[O-])c1ccccc1 ZINC000824054902 602942691 /nfs/dbraw/zinc/94/26/91/602942691.db2.gz DJTQESXOVWMWDL-GFCCVEGCSA-N -1 0 322.365 1.024 20 50 DDGDRM Cc1ccccc1C(=O)NNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000830552724 603235533 /nfs/dbraw/zinc/23/55/33/603235533.db2.gz AXRXMFUNCDZQPB-LLVKDONJSA-N -1 0 305.334 1.289 20 50 DDGDRM Cc1cc(NNC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)ncn1 ZINC000830123586 603621274 /nfs/dbraw/zinc/62/12/74/603621274.db2.gz XCIHXSVUHFNPJA-LBPRGKRZSA-N -1 0 315.333 1.280 20 50 DDGDRM CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000823766761 603850029 /nfs/dbraw/zinc/85/00/29/603850029.db2.gz UYLICYYVFUSPQV-UWVGGRQHSA-N -1 0 314.386 1.189 20 50 DDGDRM O=C([O-])N1CCC(C=NNC(=O)COCc2ccccc2)CC1 ZINC000831545823 603860594 /nfs/dbraw/zinc/86/05/94/603860594.db2.gz YPMJCIYJVHJCGZ-UHFFFAOYSA-N -1 0 319.361 1.695 20 50 DDGDRM C[C@@H](NC(=O)NNC(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000825171425 603867183 /nfs/dbraw/zinc/86/71/83/603867183.db2.gz KSHCPGUTMMCHDM-MRVPVSSYSA-N -1 0 305.294 1.203 20 50 DDGDRM Cc1ccc(=NNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])[nH]c1 ZINC000830396371 603868765 /nfs/dbraw/zinc/86/87/65/603868765.db2.gz ZVKZSWBCRDLEFE-VXGBXAGGSA-N -1 0 321.381 1.843 20 50 DDGDRM C[C@@H](NC(=O)NNC(=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000825172051 603869202 /nfs/dbraw/zinc/86/92/02/603869202.db2.gz PIUZXCMCTBEXSZ-MRVPVSSYSA-N -1 0 305.294 1.203 20 50 DDGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000824867051 604003559 /nfs/dbraw/zinc/00/35/59/604003559.db2.gz AEYUBEUPXLBGDK-QMMMGPOBSA-N -1 0 319.321 1.024 20 50 DDGDRM COCCN(CC(=O)NNc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000828975569 604006821 /nfs/dbraw/zinc/00/68/21/604006821.db2.gz DEWFVWANRHLOOY-UHFFFAOYSA-N -1 0 321.255 1.173 20 50 DDGDRM O=C([O-])NCCCNC(=O)NNc1ccc(Cl)c(F)c1 ZINC000832616896 604035834 /nfs/dbraw/zinc/03/58/34/604035834.db2.gz LWJWCTNMYKMSIV-UHFFFAOYSA-N -1 0 304.709 1.763 20 50 DDGDRM O=C([O-])N1CC[C@H](NC(=O)NNc2ccc(Cl)c(F)c2)C1 ZINC000831742854 604039347 /nfs/dbraw/zinc/03/93/47/604039347.db2.gz SOWHOXRIJJQCBN-QMMMGPOBSA-N -1 0 316.720 1.858 20 50 DDGDRM C[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824671796 604290273 /nfs/dbraw/zinc/29/02/73/604290273.db2.gz MAIGNINPZMWTTP-QWRGUYRKSA-N -1 0 322.365 1.192 20 50 DDGDRM C[C@@H](CC(=O)NN=c1nccc[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680279 604299503 /nfs/dbraw/zinc/29/95/03/604299503.db2.gz TUGFHTBEGOCYIZ-QWRGUYRKSA-N -1 0 307.354 1.336 20 50 DDGDRM C[C@@H]1CCC[C@@H](OCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)C1 ZINC000833609796 604805273 /nfs/dbraw/zinc/80/52/73/604805273.db2.gz SMABRKOAXTZVMQ-ZYHUDNBSSA-N -1 0 307.350 1.818 20 50 DDGDRM COC(=O)NN=Cc1c(C)c(C=NNC(=O)[O-])n2ccccc12 ZINC000831206493 604984200 /nfs/dbraw/zinc/98/42/00/604984200.db2.gz IHAMXALPENTOSU-UHFFFAOYSA-N -1 0 317.305 1.539 20 50 DDGDRM O=C([O-])[C@H](NNC(=O)c1cccc(Cl)c1)c1cccnc1 ZINC000833149405 604988435 /nfs/dbraw/zinc/98/84/35/604988435.db2.gz PLISOJUYXUMBGI-GFCCVEGCSA-N -1 0 305.721 1.795 20 50 DDGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccc(F)cc1 ZINC000833407137 605039001 /nfs/dbraw/zinc/03/90/01/605039001.db2.gz LDCKQXWGUDDOIE-LLVKDONJSA-N -1 0 317.320 1.966 20 50 DDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)NCC(F)(F)F ZINC000833406557 605040054 /nfs/dbraw/zinc/04/00/54/605040054.db2.gz NPZVUQAMOYHZIP-ZETCQYMHSA-N -1 0 306.244 1.329 20 50 DDGDRM Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000830225178 605297120 /nfs/dbraw/zinc/29/71/20/605297120.db2.gz HMKXABATJQCYOH-LBPRGKRZSA-N -1 0 319.361 1.454 20 50 DDGDRM O=C([O-])N1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000831742687 605408407 /nfs/dbraw/zinc/40/84/07/605408407.db2.gz NLAJCFULSJUORZ-UHFFFAOYSA-N -1 0 308.294 1.428 20 50 DDGDRM O=C([O-])NC1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000832280386 605409469 /nfs/dbraw/zinc/40/94/69/605409469.db2.gz VAJDWSQHHUEJMU-UHFFFAOYSA-N -1 0 322.321 1.864 20 50 DDGDRM Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)CCNC(=O)[O-] ZINC000833922681 605482541 /nfs/dbraw/zinc/48/25/41/605482541.db2.gz QFYUOYDWSCOKHE-QMMMGPOBSA-N -1 0 316.789 1.515 20 50 DDGDRM Cc1cccnc1C(=O)NNC(=O)CC[C@@H]1CCCN1C(=O)[O-] ZINC000833910671 605532781 /nfs/dbraw/zinc/53/27/81/605532781.db2.gz MOILCEVKKIHLFZ-NSHDSACASA-N -1 0 320.349 1.074 20 50 DDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1 ZINC000832106033 605570377 /nfs/dbraw/zinc/57/03/77/605570377.db2.gz UFLODKTZRPZYJW-GFCCVEGCSA-N -1 0 316.317 1.175 20 50 DDGDRM CCc1ccc(C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1 ZINC000827576061 605579468 /nfs/dbraw/zinc/57/94/68/605579468.db2.gz AVZFMDJCPRZROI-ZDUSSCGKSA-N -1 0 321.377 1.692 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1sccc1Br ZINC000833384259 605586174 /nfs/dbraw/zinc/58/61/74/605586174.db2.gz FZHMHADBNHTBGI-UHFFFAOYSA-N -1 0 320.168 1.618 20 50 DDGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000833384847 605589838 /nfs/dbraw/zinc/58/98/38/605589838.db2.gz NXVXNKSJHGCKAB-UHFFFAOYSA-N -1 0 312.329 1.856 20 50 DDGDRM O=C([O-])N1CCCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC000834049063 605714814 /nfs/dbraw/zinc/71/48/14/605714814.db2.gz XLYFLYFUEZUZCR-NSHDSACASA-N -1 0 308.294 1.570 20 50 DDGDRM O=C([O-])NCCCC(=O)NNc1ccc(OC(F)F)cc1 ZINC000834231359 605738086 /nfs/dbraw/zinc/73/80/86/605738086.db2.gz GPMCBIJPGLLUFM-UHFFFAOYSA-N -1 0 303.265 1.779 20 50 DDGDRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000834174128 605740104 /nfs/dbraw/zinc/74/01/04/605740104.db2.gz UPQWULFLODTORH-XVKPBYJWSA-N -1 0 317.267 1.983 20 50 DDGDRM N#Cc1cccc(NNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000833977498 605763453 /nfs/dbraw/zinc/76/34/53/605763453.db2.gz ZXYOPVOQTUJZQV-OAHLLOKOSA-N -1 0 324.340 1.880 20 50 DDGDRM CC(=O)OCC(C)(C)CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833399923 605772895 /nfs/dbraw/zinc/77/28/95/605772895.db2.gz HFRGGBDPVCZURG-UHFFFAOYSA-N -1 0 308.334 1.807 20 50 DDGDRM O=C([O-])NCCCC(=O)NN=C1CCOc2c(F)cccc21 ZINC000834229954 605800462 /nfs/dbraw/zinc/80/04/62/605800462.db2.gz QHPJOVKJKPZHRG-UHFFFAOYSA-N -1 0 309.297 1.476 20 50 DDGDRM O=C([O-])NCCC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000834227673 605843102 /nfs/dbraw/zinc/84/31/02/605843102.db2.gz ZTUNEIKDWGZAEU-UHFFFAOYSA-N -1 0 320.132 1.412 20 50 DDGDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NNc1ccnc(F)c1 ZINC000834151421 605875830 /nfs/dbraw/zinc/87/58/30/605875830.db2.gz VOGDFDPISJQHIB-GFCCVEGCSA-N -1 0 318.308 1.543 20 50 DDGDRM O=C([O-])NCCCCC(=O)NNc1c(F)c(F)nc(F)c1F ZINC000834234840 605899885 /nfs/dbraw/zinc/89/98/85/605899885.db2.gz YAEOHGNHONHNTF-UHFFFAOYSA-N -1 0 324.234 1.519 20 50 DDGDRM O=C([O-])NCCCC(=O)NNC(=O)/C=C\c1ccccc1F ZINC000834231508 605975392 /nfs/dbraw/zinc/97/53/92/605975392.db2.gz PLGRAHHESAXSLN-FPLPWBNLSA-N -1 0 309.297 1.034 20 50 DDGDRM O=C([O-])Nc1cnc(C(=O)NNc2ccc(Cl)cc2)cn1 ZINC000834277924 606069830 /nfs/dbraw/zinc/06/98/30/606069830.db2.gz TYNCMOJPNMXIPJ-UHFFFAOYSA-N -1 0 307.697 1.977 20 50 DDGDRM