smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC1(C(=O)NNc2ccccc2C(=O)[O-])CCC(F)(F)CC1 ZINC001595366395 980814429 /nfs/dbraw/zinc/81/44/29/980814429.db2.gz HUZKFYWLHNIGHJ-UHFFFAOYSA-N -1 0 326.343 3.434 20 50 EGGDRM CC[C@H]1C[C@H](CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595412295 981009884 /nfs/dbraw/zinc/00/98/84/981009884.db2.gz CAOYIERGNKQOGH-PWSUYJOCSA-N -1 0 340.807 3.077 20 50 EGGDRM Cc1c(NC(=O)[C@H](Br)C(C)(C)C)cccc1C(=O)[O-] ZINC000908835096 981371705 /nfs/dbraw/zinc/37/17/05/981371705.db2.gz WJBNLIWUVJKTAI-NSHDSACASA-N -1 0 328.206 3.441 20 50 EGGDRM CCCCCC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595662966 982080895 /nfs/dbraw/zinc/08/08/95/982080895.db2.gz NAFLMMCZQPWVSC-UHFFFAOYSA-N -1 0 329.194 3.171 20 50 EGGDRM CCCCNc1ccccc1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595763159 982469187 /nfs/dbraw/zinc/46/91/87/982469187.db2.gz ASWHCHKILPJCAD-UHFFFAOYSA-N -1 0 345.374 3.493 20 50 EGGDRM C/C(=C/C(=O)NNc1cccc(F)c1C(=O)[O-])c1cccc(F)c1 ZINC001588942362 984635762 /nfs/dbraw/zinc/63/57/62/984635762.db2.gz IIWLPQTTXUECKX-NTMALXAHSA-N -1 0 332.306 3.210 20 50 EGGDRM CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)[O-])c(C)o2)cc1 ZINC001597113941 986789717 /nfs/dbraw/zinc/78/97/17/986789717.db2.gz ZZXUHECLNPRCGB-XYOKQWHBSA-N -1 0 340.335 3.231 20 50 EGGDRM CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1C)c1ccc(OC)cc1 ZINC001594736495 987278139 /nfs/dbraw/zinc/27/81/39/987278139.db2.gz MMARCVZNPBRGBH-HNNXBMFYSA-N -1 0 342.395 3.339 20 50 EGGDRM CCSc1ccc(CC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001597272541 987322416 /nfs/dbraw/zinc/32/24/16/987322416.db2.gz KIMZIDDWQMQMNX-UHFFFAOYSA-N -1 0 348.399 3.322 20 50 EGGDRM CCSc1ccccc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001597279176 987339990 /nfs/dbraw/zinc/33/99/90/987339990.db2.gz FWRCHQMSPCUHQS-UHFFFAOYSA-N -1 0 334.372 3.393 20 50 EGGDRM CCc1[nH]c(C(=O)NNc2cccc(C)c2Cl)c(C)c1C(=O)[O-] ZINC001597384885 987590492 /nfs/dbraw/zinc/59/04/92/987590492.db2.gz MEJHBHTXMVAHPB-UHFFFAOYSA-N -1 0 335.791 3.302 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC001589698371 987779864 /nfs/dbraw/zinc/77/98/64/987779864.db2.gz BAXUHWDPDOJQRC-LLVKDONJSA-N -1 0 347.180 3.377 20 50 EGGDRM CCc1oc(C=NNC(=O)NCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC001597792733 989334009 /nfs/dbraw/zinc/33/40/09/989334009.db2.gz HRGGRZVOLCBSSZ-UHFFFAOYSA-N -1 0 349.774 3.027 20 50 EGGDRM COc1ccccc1CC(C)(C)C(=O)NNc1ccccc1C(=O)[O-] ZINC001599704050 991265571 /nfs/dbraw/zinc/26/55/71/991265571.db2.gz PHOCKLPGZUBPEJ-UHFFFAOYSA-N -1 0 342.395 3.105 20 50 EGGDRM CC(C)[C@@H]1CCC[C@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001591082520 991599126 /nfs/dbraw/zinc/59/91/26/991599126.db2.gz UMKJDGBWJBLGAG-YPMHNXCESA-N -1 0 337.395 3.365 20 50 EGGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)[C@@H](C)c1ccccc1 ZINC001593102028 993739534 /nfs/dbraw/zinc/73/95/34/993739534.db2.gz OCYBAAPKIGURAF-NEPJUHHUSA-N -1 0 345.374 3.342 20 50 EGGDRM COc1cccc(/C(C)=C\C(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001599654320 994554258 /nfs/dbraw/zinc/55/42/58/994554258.db2.gz LNBZEAQLLUMHAH-FLIBITNWSA-N -1 0 344.342 3.079 20 50 EGGDRM C[C@@H](SCc1ccccc1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001593663997 996048155 /nfs/dbraw/zinc/04/81/55/996048155.db2.gz WCAMGJWYYBBAEG-LLVKDONJSA-N -1 0 348.399 3.289 20 50 EGGDRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594217491 998838064 /nfs/dbraw/zinc/83/80/64/998838064.db2.gz SZNHRNAHJGPPBD-MFKMUULPSA-N -1 0 337.395 3.365 20 50 EGGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNc2c(Cl)cccc2Cl)C1 ZINC000833183875 602051495 /nfs/dbraw/zinc/05/14/95/602051495.db2.gz LKDAMTKDZMMWBS-IUCAKERBSA-N -1 0 331.199 3.328 20 50 EGGDRM CC(C)C[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC000833473943 604806888 /nfs/dbraw/zinc/80/68/88/604806888.db2.gz JZDTZQUNFGJYOA-HNNXBMFYSA-N -1 0 327.384 3.053 20 50 EGGDRM COc1ccc(C)cc1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833730497 605246718 /nfs/dbraw/zinc/24/67/18/605246718.db2.gz CUIYFRCHDBKSCJ-UHFFFAOYSA-N -1 0 348.786 3.041 20 50 EGGDRM N#CC(=Cc1coc2ccccc12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379664 1429388405 /nfs/dbraw/zinc/38/84/05/1429388405.db2.gz YKCSCDSTTDHHQU-NTEUORMPSA-N -1 0 341.330 3.403 20 50 EGGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C(C)C)cc1 ZINC000735447715 1426548724 /nfs/dbraw/zinc/54/87/24/1426548724.db2.gz LQPNZCHFXLWZEU-UHFFFAOYSA-N -1 0 348.410 3.144 20 50 EGGDRM CCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825649103 1429840350 /nfs/dbraw/zinc/84/03/50/1429840350.db2.gz LEBKDLXDDIVREJ-SXGWCWSVSA-N -1 0 345.362 3.055 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1 ZINC001595220823 949243373 /nfs/dbraw/zinc/24/33/73/949243373.db2.gz ISSBUSIVRUICBV-UHFFFAOYSA-N -1 0 340.257 3.040 20 50 EGGDRM O=C([O-])[C@]1(C(=O)NNc2ccc(Cl)cc2Cl)CC=CCC1 ZINC001594866763 954316976 /nfs/dbraw/zinc/31/69/76/954316976.db2.gz BTNOAAFZJQLZOK-CQSZACIVSA-N -1 0 329.183 3.248 20 50 EGGDRM O=C([O-])[C@@]1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CC=CCC1 ZINC001594878306 954395931 /nfs/dbraw/zinc/39/59/31/954395931.db2.gz IGKZQUWPIPSUDX-GOSISDBHSA-N -1 0 341.319 3.465 20 50 EGGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1c(C)cccc1Br ZINC001589475833 954957242 /nfs/dbraw/zinc/95/72/42/954957242.db2.gz MTFVENZZDNCNKL-UHFFFAOYSA-N -1 0 343.221 3.092 20 50 EGGDRM O=C([O-])c1cccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1 ZINC000821549813 955520026 /nfs/dbraw/zinc/52/00/26/955520026.db2.gz SUJIXSJUZAFKNO-UHFFFAOYSA-N -1 0 340.257 3.040 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000836716324 955559855 /nfs/dbraw/zinc/55/98/55/955559855.db2.gz QPOJESBLMNMDKK-LBPRGKRZSA-N -1 0 328.206 3.062 20 50 EGGDRM O=C([O-])c1ccccc1CC(=O)NNc1cc(Cl)ccc1Cl ZINC001594709678 956866908 /nfs/dbraw/zinc/86/69/08/956866908.db2.gz GDGLCGLLRIJYEM-UHFFFAOYSA-N -1 0 339.178 3.377 20 50 EGGDRM Cc1cccc(NNC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1Cl ZINC001594409190 958931274 /nfs/dbraw/zinc/93/12/74/958931274.db2.gz YJPQTFNNEFZVQB-NSHDSACASA-N -1 0 327.812 3.021 20 50 EGGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1c(F)cccc1Cl ZINC001573656133 959672848 /nfs/dbraw/zinc/67/28/48/959672848.db2.gz SIQREVSAOXTETK-UHFFFAOYSA-N -1 0 328.771 3.059 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)C1 ZINC001573664887 959685654 /nfs/dbraw/zinc/68/56/54/959685654.db2.gz NLXPGXVZXNBEBM-PXAZEXFGSA-N -1 0 341.524 3.110 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)C1 ZINC001573664889 959685672 /nfs/dbraw/zinc/68/56/72/959685672.db2.gz NLXPGXVZXNBEBM-SJCJKPOMSA-N -1 0 341.524 3.110 20 50 EGGDRM C[C@H](NCc1nc(CO[Si](C)(C)C(C)(C)C)cs1)C(=O)[O-] ZINC001574289248 960673598 /nfs/dbraw/zinc/67/35/98/960673598.db2.gz GPLCFQFCKMSOQE-JTQLQIEISA-N -1 0 330.526 3.228 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000836725522 969213619 /nfs/dbraw/zinc/21/36/19/969213619.db2.gz YJAAVXAMIRLWIQ-PWSUYJOCSA-N -1 0 334.254 3.042 20 50 EGGDRM CC(C)c1ccc(NNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001591969210 976568857 /nfs/dbraw/zinc/56/88/57/976568857.db2.gz YLRVCTQGWNOLSW-UHFFFAOYSA-N -1 0 333.432 3.471 20 50 EGGDRM CC(CCC(=O)[O-])=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001592470222 978219015 /nfs/dbraw/zinc/21/90/15/978219015.db2.gz HZMIVFASHSKCDA-UHFFFAOYSA-N -1 0 327.384 3.065 20 50 EGGDRM C=CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000736114054 978302733 /nfs/dbraw/zinc/30/27/33/978302733.db2.gz JZYUWURSZSIEIH-UHFFFAOYSA-N -1 0 343.291 3.077 20 50 EGGDRM CCOC(=O)C(C#N)=CN[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000737130002 978381292 /nfs/dbraw/zinc/38/12/92/978381292.db2.gz UEBWWVNPZRGRJW-HECSCLNYSA-N -1 0 344.411 3.060 20 50 EGGDRM C[C@H](CCc1ccccc1F)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592545885 978430364 /nfs/dbraw/zinc/43/03/64/978430364.db2.gz FBGQWUISZQGCSQ-LLVKDONJSA-N -1 0 348.349 3.375 20 50 EGGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000794684393 978814554 /nfs/dbraw/zinc/81/45/54/978814554.db2.gz AGTIOVBHEDYODM-JXCQQFQQSA-N -1 0 339.322 3.467 20 50 EGGDRM CC[C@@H](Cc1cccc(C)c1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595211815 979994780 /nfs/dbraw/zinc/99/47/80/979994780.db2.gz WCNWSYVJJAIPFP-KRWDZBQOSA-N -1 0 340.423 3.334 20 50 EGGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1OC ZINC001595252209 980216816 /nfs/dbraw/zinc/21/68/16/980216816.db2.gz HURJUFJUMHHDSQ-HNNXBMFYSA-N -1 0 343.383 3.171 20 50 EGGDRM CCCC[C@@H](CC)CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001595632355 981853322 /nfs/dbraw/zinc/85/33/22/981853322.db2.gz WTHWKNLETCNLOT-GFCCVEGCSA-N -1 0 341.477 3.186 20 50 EGGDRM C#CCC1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC001588428119 983460240 /nfs/dbraw/zinc/46/02/40/983460240.db2.gz BWGSHMBSWYFVJT-UHFFFAOYSA-N -1 0 334.803 3.455 20 50 EGGDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001588770633 984135111 /nfs/dbraw/zinc/13/51/11/984135111.db2.gz BPLYBNFNBMYLQB-GDBMZVCRSA-N -1 0 331.416 3.075 20 50 EGGDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001588771440 984139747 /nfs/dbraw/zinc/13/97/47/984139747.db2.gz USNZUZSSVDQCFC-AAEUAGOBSA-N -1 0 335.379 3.285 20 50 EGGDRM Cc1nc(=O)[nH]c(SCCO[Si](C)(C)C(C)(C)C)c1C(=O)[O-] ZINC001599941978 985465626 /nfs/dbraw/zinc/46/56/26/985465626.db2.gz GWNCYGDMZYWOHO-UHFFFAOYSA-N -1 0 344.509 3.303 20 50 EGGDRM CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001597082070 986630990 /nfs/dbraw/zinc/63/09/90/986630990.db2.gz WFCKBVPXEMUYLM-DKGMDFAASA-N -1 0 345.395 3.425 20 50 EGGDRM C[C@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1c(F)cccc1F ZINC001589422167 986662133 /nfs/dbraw/zinc/66/21/33/986662133.db2.gz CELHCQPKADHHNV-QMMMGPOBSA-N -1 0 338.285 3.049 20 50 EGGDRM CCOc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c(F)c1 ZINC001597120667 986814811 /nfs/dbraw/zinc/81/48/11/986814811.db2.gz ZVPDNZIFYFEYJN-UHFFFAOYSA-N -1 0 333.319 3.071 20 50 EGGDRM CCOc1cccc(/C=C/C(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001597150610 986928159 /nfs/dbraw/zinc/92/81/59/986928159.db2.gz RAXGAIAPIUFKMG-RMKNXTFCSA-N -1 0 344.342 3.079 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)OCc1csc(C(=O)[O-])c1 ZINC001589698333 987779881 /nfs/dbraw/zinc/77/98/81/987779881.db2.gz ASJTYNHJYRSXCU-SECBINFHSA-N -1 0 335.219 3.299 20 50 EGGDRM CSSCCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001599805104 988241578 /nfs/dbraw/zinc/24/15/78/988241578.db2.gz YTRUAMKBBXDUHE-UHFFFAOYSA-N -1 0 337.426 3.066 20 50 EGGDRM CCc1ccc(NNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC001597551513 988276080 /nfs/dbraw/zinc/27/60/80/988276080.db2.gz JJNRJFHCXRYMLM-UHFFFAOYSA-N -1 0 327.384 3.415 20 50 EGGDRM CSc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001599819007 988479226 /nfs/dbraw/zinc/47/92/26/988479226.db2.gz GQXUBVCMRGSTIE-UHFFFAOYSA-N -1 0 342.380 3.127 20 50 EGGDRM CC(C)(C)c1ccc(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)o1 ZINC001590487238 990087341 /nfs/dbraw/zinc/08/73/41/990087341.db2.gz JATLMLQTDWDQNA-UHFFFAOYSA-N -1 0 349.362 3.241 20 50 EGGDRM CC(C)(C)c1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cn1 ZINC001590493902 990098646 /nfs/dbraw/zinc/09/86/46/990098646.db2.gz QVGAPOSMXAYIFU-UHFFFAOYSA-N -1 0 342.399 3.155 20 50 EGGDRM CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cc(C(=O)[O-])co2)n1 ZINC001590536858 990149325 /nfs/dbraw/zinc/14/93/25/990149325.db2.gz ICYGYJJNHZQJSN-WTKPLQERSA-N -1 0 345.380 3.277 20 50 EGGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CC2CCC1CC2 ZINC001593101895 993738868 /nfs/dbraw/zinc/73/88/68/993738868.db2.gz MWONVOOECQHPHW-ITDKRANNSA-N -1 0 331.416 3.226 20 50 EGGDRM C[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)[C@@H]1CC2CCC1CC2 ZINC001593102261 993742464 /nfs/dbraw/zinc/74/24/64/993742464.db2.gz QHVUBUXXXCDTJQ-JDDSVCBVSA-N -1 0 345.443 3.155 20 50 EGGDRM CC1(C)C[C@]1(C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001593865475 996671261 /nfs/dbraw/zinc/67/12/61/996671261.db2.gz SBAXGTRQUKLLLI-LJQANCHMSA-N -1 0 342.370 3.335 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cccc(CCl)c1 ZINC001599365516 998328721 /nfs/dbraw/zinc/32/87/21/998328721.db2.gz VAEJWQWQVVFCSE-UHFFFAOYSA-N -1 0 347.798 3.105 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc2ccccc2c1 ZINC001599375937 998486599 /nfs/dbraw/zinc/48/65/99/998486599.db2.gz GAOUKOAEIVPSIE-UHFFFAOYSA-N -1 0 336.347 3.304 20 50 EGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)OC/C=C(/C)C(=O)[O-])c1C ZINC000829446481 601412205 /nfs/dbraw/zinc/41/22/05/601412205.db2.gz ASTYFTUZJGUWFU-ZVMOYEBOSA-N -1 0 344.411 3.386 20 50 EGGDRM Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832927812 601459699 /nfs/dbraw/zinc/45/96/99/601459699.db2.gz LDTZEWWSVCDZRJ-CJAAZZPWSA-N -1 0 325.320 3.498 20 50 EGGDRM N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000833063226 601789577 /nfs/dbraw/zinc/78/95/77/601789577.db2.gz HFRYCYLEWYMKFC-ZSOIEALJSA-N -1 0 331.331 3.412 20 50 EGGDRM Cc1sc2[nH]c(C(C#N)=Cc3c[nH]c(C(=O)[O-])c3)nc(=O)c2c1C ZINC000833036188 601791219 /nfs/dbraw/zinc/79/12/19/601791219.db2.gz CXTQFCYBQXMIBS-KMKOMSMNSA-N -1 0 340.364 3.104 20 50 EGGDRM Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832905334 604881313 /nfs/dbraw/zinc/88/13/13/604881313.db2.gz YBXYYPNSFSZDLV-UHFFFAOYSA-N -1 0 333.271 3.268 20 50 EGGDRM C[C@@H](Sc1ccccc1C(=O)NNc1ccccc1F)C(=O)[O-] ZINC000833546425 604935442 /nfs/dbraw/zinc/93/54/42/604935442.db2.gz RZGHKHQYZDCFPX-SNVBAGLBSA-N -1 0 334.372 3.148 20 50 EGGDRM CC(C)Cc1ccc(CC(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC000833491985 605721939 /nfs/dbraw/zinc/72/19/39/605721939.db2.gz DAQSORNGCNKJIA-UHFFFAOYSA-N -1 0 326.396 3.269 20 50 EGGDRM CCc1ccc(C(C)(C)C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC000833670186 605724521 /nfs/dbraw/zinc/72/45/21/605724521.db2.gz MHXODGYHZHKYBW-UHFFFAOYSA-N -1 0 326.396 3.368 20 50 EGGDRM Cc1cccc2[nH]c(C(C#N)=Cc3ccc(-c4nn[n-]n4)s3)nc21 ZINC000822333128 1425903997 /nfs/dbraw/zinc/90/39/97/1425903997.db2.gz XREFMBKHQDEQIS-YFHOEESVSA-N -1 0 333.380 3.177 20 50 EGGDRM CC(C)c1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824347542 1441944474 /nfs/dbraw/zinc/94/44/74/1441944474.db2.gz CRVGWTOKAOVUQK-UHFFFAOYSA-N -1 0 337.387 3.139 20 50 EGGDRM 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CCCc1c(C(=O)NNc2ccc(F)cc2F)[nH]c(C)c1C(=O)[O-] ZINC000737042300 978374287 /nfs/dbraw/zinc/37/42/87/978374287.db2.gz AANVZGOYFDVDBY-UHFFFAOYSA-N -1 0 337.326 3.009 20 50 EGGDRM CCc1sc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1C ZINC000737291895 978395864 /nfs/dbraw/zinc/39/58/64/978395864.db2.gz JPHBSAUININMDA-UHFFFAOYSA-N -1 0 335.337 3.445 20 50 EGGDRM Cc1cc(NC(=O)c2c(C)nn(CCCl)c2C)sc1C(=O)[O-] ZINC000738241684 978506077 /nfs/dbraw/zinc/50/60/77/978506077.db2.gz OAYOERQJGMAJCA-UHFFFAOYSA-N -1 0 341.820 3.059 20 50 EGGDRM Cc1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)sc1C(=O)[O-] ZINC000738418094 978535809 /nfs/dbraw/zinc/53/58/09/978535809.db2.gz OCPDVHSBZSEAGK-XFFZJAGNSA-N -1 0 330.340 3.440 20 50 EGGDRM Cc1ccccc1C1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000738760209 978601177 /nfs/dbraw/zinc/60/11/77/978601177.db2.gz GAXZNXTXJGQBLX-UHFFFAOYSA-N -1 0 341.319 3.239 20 50 EGGDRM O=C([O-])c1cc(OC(=O)CCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000739260941 978625995 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CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001595211346 979991686 /nfs/dbraw/zinc/99/16/86/979991686.db2.gz SSDRPSAVJFPGCT-OAHLLOKOSA-N -1 0 326.396 3.405 20 50 EGGDRM O=C([O-])c1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000916273523 982673124 /nfs/dbraw/zinc/67/31/24/982673124.db2.gz IJOIFRNJEPDNAS-UHFFFAOYSA-N -1 0 348.811 3.281 20 50 EGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@@H](CC)C(=O)[O-])c1C ZINC001596108765 983435751 /nfs/dbraw/zinc/43/57/51/983435751.db2.gz OORGQYLROPCBOO-BRYYZUPOSA-N -1 0 332.400 3.076 20 50 EGGDRM C/C(=C\c1ccc(F)cc1)C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001588999319 984937707 /nfs/dbraw/zinc/93/77/07/984937707.db2.gz SKXWCPLSPVDORP-ZHACJKMWSA-N -1 0 328.343 3.379 20 50 EGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@]2(C)C[C@@H]2Br)cc1 ZINC001589634230 987549272 /nfs/dbraw/zinc/54/92/72/987549272.db2.gz WPFZBGKYZIPRMM-XHDPSFHLSA-N -1 0 340.217 3.161 20 50 EGGDRM CC(C)(C)[Si](C)(C)OCCN1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001590451346 990013566 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COc1cccc(NC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599677789 994926813 /nfs/dbraw/zinc/92/68/13/994926813.db2.gz YUZMYDLKCFRFCA-UHFFFAOYSA-N -1 0 335.747 3.195 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593888243 996730932 /nfs/dbraw/zinc/73/09/32/996730932.db2.gz URSPTPYCTSACBQ-BONVTDFDSA-N -1 0 348.281 3.336 20 50 EGGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2ccnc3cc(Cl)ccc32)C1 ZINC000833183809 601209354 /nfs/dbraw/zinc/20/93/54/601209354.db2.gz KCYFZNLYWMOJKY-GHMZBOCLSA-N -1 0 347.802 3.222 20 50 EGGDRM O=C([O-])c1cc(OC(=O)C/C=C\c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000833096241 601350561 /nfs/dbraw/zinc/35/05/61/601350561.db2.gz JDVBVXADDPNGGP-UPHRSURJSA-N -1 0 345.282 3.441 20 50 EGGDRM O=C(/C=C\SCc1ccco1)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000833092291 602055208 /nfs/dbraw/zinc/05/52/08/602055208.db2.gz ATYHOUXQBPCYAD-ALCCZGGFSA-N -1 0 349.320 3.239 20 50 EGGDRM Cc1[nH]c(C(=O)NNc2ccc(C(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC000833740229 604914866 /nfs/dbraw/zinc/91/48/66/604914866.db2.gz PXSXDCNQTSDEQZ-UHFFFAOYSA-N -1 0 341.289 3.105 20 50 EGGDRM CCS[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC000833669506 605246258 /nfs/dbraw/zinc/24/62/58/605246258.db2.gz XPXSSCCSVICUAL-LBPRGKRZSA-N -1 0 330.837 3.259 20 50 EGGDRM C[C@@H]1CCc2c(C(=O)NNc3ccccc3C(=O)[O-])csc2C1 ZINC000833616729 605260374 /nfs/dbraw/zinc/26/03/74/605260374.db2.gz FJWKVNWILDATFH-SNVBAGLBSA-N -1 0 330.409 3.328 20 50 EGGDRM CC(C)COc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833488870 605730400 /nfs/dbraw/zinc/73/04/00/605730400.db2.gz QQNXDZBBNYVVAN-UHFFFAOYSA-N -1 0 328.368 3.177 20 50 EGGDRM Cc1cccc(C(=O)C(C#N)=Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737382622 1427115096 /nfs/dbraw/zinc/11/50/96/1427115096.db2.gz ZFUQQHPYZJXPHT-MHWRWJLKSA-N -1 0 329.363 3.273 20 50 EGGDRM O=C([O-])c1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1 ZINC001595241292 949460790 /nfs/dbraw/zinc/46/07/90/949460790.db2.gz NLYZSDZLPRUBJP-UHFFFAOYSA-N -1 0 325.151 3.449 20 50 EGGDRM CC(C)(C)CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)C(=O)[O-] ZINC001602859300 971709276 /nfs/dbraw/zinc/70/92/76/971709276.db2.gz FKIDAERBFLCFJT-NRMKIYEFSA-N -1 0 332.375 3.128 20 50 EGGDRM CCc1ccc(CC)c(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001593637887 953622944 /nfs/dbraw/zinc/62/29/44/953622944.db2.gz PNZBCGWYZQGIJT-UHFFFAOYSA-N -1 0 328.372 3.053 20 50 EGGDRM O=C([O-])/C=C/c1cc(C(=O)NNc2ccccc2C(F)(F)F)co1 ZINC001594968755 955083818 /nfs/dbraw/zinc/08/38/18/955083818.db2.gz QRFSOPACZZCOIR-AATRIKPKSA-N -1 0 340.257 3.153 20 50 EGGDRM Cc1cc(NNC(=O)c2cccc(C(=O)[O-])c2)ccc1Br ZINC000738462809 955242139 /nfs/dbraw/zinc/24/21/39/955242139.db2.gz YOEXOGINZJBNGN-UHFFFAOYSA-N -1 0 349.184 3.213 20 50 EGGDRM O=C([O-])c1cccc(C(=O)NNc2cccc(Cl)c2Cl)c1 ZINC001574807150 957859493 /nfs/dbraw/zinc/85/94/93/957859493.db2.gz GFXJGQQQSHIMJX-UHFFFAOYSA-N -1 0 325.151 3.449 20 50 EGGDRM Cc1cccc(C(C)C)c1NNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594390239 958705398 /nfs/dbraw/zinc/70/53/98/958705398.db2.gz HLKLSNXBEQICAD-UHFFFAOYSA-N -1 0 342.395 3.339 20 50 EGGDRM CC(C)(C)c1ccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001573462461 958918050 /nfs/dbraw/zinc/91/80/50/958918050.db2.gz BDTXZMDBSRLOHJ-UHFFFAOYSA-N -1 0 328.372 3.226 20 50 EGGDRM CC(C)c1ccc(/C=C\CC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001573566964 959293104 /nfs/dbraw/zinc/29/31/04/959293104.db2.gz OBIDKJNBGKTJOA-HYXAFXHYSA-N -1 0 339.395 3.450 20 50 EGGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)c1cc(F)cc(F)c1 ZINC000194538236 959621186 /nfs/dbraw/zinc/62/11/86/959621186.db2.gz XGMXJYGEVJZMGY-WLRTZDKTSA-N -1 0 343.285 3.218 20 50 EGGDRM Cc1c2cc(Cl)ccc2oc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594256884 959658655 /nfs/dbraw/zinc/65/86/55/959658655.db2.gz VEEUAVLHASXDFI-UHFFFAOYSA-N -1 0 345.742 3.245 20 50 EGGDRM CC(C)(C)c1ccccc1NC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588742250 961178729 /nfs/dbraw/zinc/17/87/29/961178729.db2.gz ZTINTWNIRYYHNN-UHFFFAOYSA-N -1 0 328.372 3.226 20 50 EGGDRM CC(C)[C@H](CCc1ccccc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588815843 961577471 /nfs/dbraw/zinc/57/74/71/961577471.db2.gz ZWPCALLYAYQPFU-HNNXBMFYSA-N -1 0 341.411 3.128 20 50 EGGDRM CCc1cccc(C)c1NNC(=O)NCc1ccccc1C(=O)[O-] ZINC001573960381 961681816 /nfs/dbraw/zinc/68/18/16/961681816.db2.gz FUGYCQKMELSXEE-UHFFFAOYSA-N -1 0 327.384 3.082 20 50 EGGDRM CC(C)OC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001591671593 975430421 /nfs/dbraw/zinc/43/04/21/975430421.db2.gz BPQIPEGGJATCPO-VZUCSPMQSA-N -1 0 327.258 3.262 20 50 EGGDRM CC(C)Oc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001591788284 975970156 /nfs/dbraw/zinc/97/01/56/975970156.db2.gz YOPNVJPQYAIHFF-UHFFFAOYSA-N -1 0 347.346 3.460 20 50 EGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c1C ZINC000737003727 978372200 /nfs/dbraw/zinc/37/22/00/978372200.db2.gz IVWBUGFESQSSPY-LFIBNONCSA-N -1 0 345.443 3.134 20 50 EGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c1C ZINC000737003729 978372311 /nfs/dbraw/zinc/37/23/11/978372311.db2.gz IVWBUGFESQSSPY-WJDWOHSUSA-N -1 0 345.443 3.134 20 50 EGGDRM CCOc1ccc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000737200798 978387306 /nfs/dbraw/zinc/38/73/06/978387306.db2.gz WRQKWPFRJMJCOI-NTUHNPAUSA-N -1 0 341.319 3.027 20 50 EGGDRM O=C([O-])c1cc(OC(=O)CCCc2cccs2)ccc1[N+](=O)[O-] ZINC000739234991 978622610 /nfs/dbraw/zinc/62/26/10/978622610.db2.gz DDGLCJAGRHQDQW-UHFFFAOYSA-N -1 0 335.337 3.283 20 50 EGGDRM O=C([O-])Nc1cccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1 ZINC000740033776 978664130 /nfs/dbraw/zinc/66/41/30/978664130.db2.gz NHCJTDCHGMZJKE-UHFFFAOYSA-N -1 0 349.346 3.005 20 50 EGGDRM O=C([O-])Nc1ccccc1C(=O)NNC(=O)c1cccc2ccccc21 ZINC000740045857 978665111 /nfs/dbraw/zinc/66/51/11/978665111.db2.gz OAGUGWVULVJNRE-UHFFFAOYSA-N -1 0 349.346 3.005 20 50 EGGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1)C(=O)[O-] ZINC000794687267 978815365 /nfs/dbraw/zinc/81/53/65/978815365.db2.gz SBAQPFWQYQFLQC-ZEVOCZHWSA-N -1 0 327.361 3.390 20 50 EGGDRM C[C@@H]1C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CC[C@@H]1CC(=O)[O-] ZINC000814728211 978877871 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CC[C@H](C)Oc1cc(C(=O)NNc2cccc(C(=O)[O-])c2C)ccn1 ZINC001594996516 982900550 /nfs/dbraw/zinc/90/05/50/982900550.db2.gz MJUVQXNJYCOFRE-NSHDSACASA-N -1 0 343.383 3.022 20 50 EGGDRM CC[C@@H](C)Oc1cc(C(=O)NNc2cccc(C(=O)[O-])c2C)ccn1 ZINC001594996514 982900746 /nfs/dbraw/zinc/90/07/46/982900746.db2.gz MJUVQXNJYCOFRE-LLVKDONJSA-N -1 0 343.383 3.022 20 50 EGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@](C)(CCC)C(=O)[O-])c1C ZINC001596108089 983432816 /nfs/dbraw/zinc/43/28/16/983432816.db2.gz PCONPLJISFYPMC-KZIRBZLESA-N -1 0 345.443 3.182 20 50 EGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@H](CC)C(=O)[O-])c1C ZINC001596108767 983435802 /nfs/dbraw/zinc/43/58/02/983435802.db2.gz OORGQYLROPCBOO-FSEGOYHTSA-N -1 0 332.400 3.076 20 50 EGGDRM C=CCC1(C(=O)NNc2ccc(C(=O)[O-])cc2OC)CCCCC1 ZINC001588764971 984124266 /nfs/dbraw/zinc/12/42/66/984124266.db2.gz NPCVIYOWZCKQHH-UHFFFAOYSA-N -1 0 332.400 3.363 20 50 EGGDRM C/C(=C\c1ccc(F)cc1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001588998063 984932608 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CCc1ccc(C(=O)NN=Cc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001597501097 988064800 /nfs/dbraw/zinc/06/48/00/988064800.db2.gz QMEBTGNKIMBLKQ-UHFFFAOYSA-N -1 0 330.771 3.365 20 50 EGGDRM CSc1ccsc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599825859 988596430 /nfs/dbraw/zinc/59/64/30/988596430.db2.gz ABAOTHHISLBTDC-UHFFFAOYSA-N -1 0 326.374 3.064 20 50 EGGDRM CSc1ccsc1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599825954 988598836 /nfs/dbraw/zinc/59/88/36/988598836.db2.gz FMMOPXJTJTYPOC-UHFFFAOYSA-N -1 0 326.374 3.064 20 50 EGGDRM CCn1cc(C(=O)NNc2cccc(C(=O)[O-])c2F)c2ccccc21 ZINC001597876562 989691597 /nfs/dbraw/zinc/69/15/97/989691597.db2.gz GPCBNXOPVVFOBG-UHFFFAOYSA-N -1 0 341.342 3.255 20 50 EGGDRM CC(C)(C)c1nc(C(=O)NNc2cccc(C(=O)[O-])c2F)cs1 ZINC001590537426 990154755 /nfs/dbraw/zinc/15/47/55/990154755.db2.gz IKWJNXRLYRVQTC-UHFFFAOYSA-N -1 0 337.376 3.035 20 50 EGGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)C1CCC(F)CC1 ZINC001593101784 993737694 /nfs/dbraw/zinc/73/76/94/993737694.db2.gz KWQSSGYKSKJCJT-WHXUTIOJSA-N -1 0 341.358 3.067 20 50 EGGDRM COc1ccc(SCCC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001599619195 994057314 /nfs/dbraw/zinc/05/73/14/994057314.db2.gz HVVPXBAIVPCLBF-UHFFFAOYSA-N -1 0 346.408 3.019 20 50 EGGDRM COc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001599540897 997840751 /nfs/dbraw/zinc/84/07/51/997840751.db2.gz INENFLOQWWENNK-YBEGLDIGSA-N -1 0 337.331 3.044 20 50 EGGDRM C[C@@H]1CCCC[C@@H]1CCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001594363077 999370423 /nfs/dbraw/zinc/37/04/23/999370423.db2.gz ANAGDPSYLDNHBU-VXGBXAGGSA-N -1 0 337.395 3.366 20 50 EGGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNc2cc(Cl)ccc2Cl)C1 ZINC000833184401 601758698 /nfs/dbraw/zinc/75/86/98/601758698.db2.gz QMXBMRXWSISLNK-IUCAKERBSA-N -1 0 331.199 3.328 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1 ZINC000833311494 602051474 /nfs/dbraw/zinc/05/14/74/602051474.db2.gz VDFVEMPFUMRSND-UHFFFAOYSA-N -1 0 325.151 3.449 20 50 EGGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000830064823 604314270 /nfs/dbraw/zinc/31/42/70/604314270.db2.gz XHDGVTMPCLCNIT-GHXNOFRVSA-N -1 0 342.376 3.391 20 50 EGGDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1 ZINC000833414869 604943054 /nfs/dbraw/zinc/94/30/54/604943054.db2.gz OXXCPRSGESMYJI-UVYNJXETSA-N -1 0 343.383 3.282 20 50 EGGDRM COc1ccc(/C=C/C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833732880 605244379 /nfs/dbraw/zinc/24/43/79/605244379.db2.gz UOMQAJGQZVBKDS-RUDMXATFSA-N -1 0 346.770 3.203 20 50 EGGDRM CC(C)OCc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833505361 605708775 /nfs/dbraw/zinc/70/87/75/605708775.db2.gz IOCZSTUVVUISFD-UHFFFAOYSA-N -1 0 343.383 3.458 20 50 EGGDRM CC(C)(C)c1ccc(CC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833449423 605729963 /nfs/dbraw/zinc/72/99/63/605729963.db2.gz SMBPENJKUOBWLQ-UHFFFAOYSA-N -1 0 326.396 3.368 20 50 EGGDRM CC(C)COc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833490840 605732349 /nfs/dbraw/zinc/73/23/49/605732349.db2.gz XUHPVTHUIKTVKB-UHFFFAOYSA-N -1 0 328.368 3.177 20 50 EGGDRM CCC(CC)n1nc(C)cc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833641475 605733355 /nfs/dbraw/zinc/73/33/55/605733355.db2.gz ATIXVTMHCRMRLZ-UHFFFAOYSA-N -1 0 330.388 3.008 20 50 EGGDRM Cc1cccc(C)c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826296743 1429951653 /nfs/dbraw/zinc/95/16/53/1429951653.db2.gz HUZWJQRCCOZVBV-YBEGLDIGSA-N -1 0 329.363 3.273 20 50 EGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])C(C)C)c1C ZINC001589667416 949904717 /nfs/dbraw/zinc/90/47/17/949904717.db2.gz RNJCFAPSXGDDGJ-LICLKQGHSA-N -1 0 345.443 3.134 20 50 EGGDRM CCc1ccc(NNC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001593639076 953633286 /nfs/dbraw/zinc/63/32/86/953633286.db2.gz QWAWFXMAOWTHPF-UHFFFAOYSA-N -1 0 327.384 3.415 20 50 EGGDRM O=C([O-])c1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1 ZINC001594782760 953649334 /nfs/dbraw/zinc/64/93/34/953649334.db2.gz KKGXVNZXSMXTMR-UHFFFAOYSA-N -1 0 349.346 3.005 20 50 EGGDRM O=C([O-])C1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CC=CC1 ZINC001594879537 954408988 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Cc1cccc2sc(=NNC(=O)C3(C(=O)[O-])CCCCCC3)[nH]c21 ZINC001594413808 958977724 /nfs/dbraw/zinc/97/77/24/958977724.db2.gz KZHOODGHZKSJFH-UHFFFAOYSA-N -1 0 347.440 3.473 20 50 EGGDRM CC(C)[C@@H](CC(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccccc1 ZINC001588815630 961574012 /nfs/dbraw/zinc/57/40/12/961574012.db2.gz UCCWLSROGFIVPJ-OAHLLOKOSA-N -1 0 327.384 3.053 20 50 EGGDRM CC(C)[C@H](CC1CCCCC1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588815779 961575534 /nfs/dbraw/zinc/57/55/34/961575534.db2.gz XIUKWKKSJPYHAE-HNNXBMFYSA-N -1 0 333.432 3.466 20 50 EGGDRM O=C([O-])c1cncc(NC(=O)CCCC[C@@H]2CCSS2)c1 ZINC000902038871 969510516 /nfs/dbraw/zinc/51/05/16/969510516.db2.gz FIWRJVBVWINJBG-GFCCVEGCSA-N -1 0 326.443 3.432 20 50 EGGDRM O=C([O-])c1ncccc1NC(=O)NNc1ccc(Cl)cc1Cl ZINC001605815714 972544917 /nfs/dbraw/zinc/54/49/17/972544917.db2.gz SIEOOAQMQGNJAP-UHFFFAOYSA-N -1 0 341.154 3.235 20 50 EGGDRM Cc1cccc(C(C)C)c1NNC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001605322146 973162549 /nfs/dbraw/zinc/16/25/49/973162549.db2.gz 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977486888 /nfs/dbraw/zinc/48/68/88/977486888.db2.gz ZVLOEFQWHGFVKA-JTQLQIEISA-N -1 0 334.322 3.300 20 50 EGGDRM CCCCS[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737001327 978371900 /nfs/dbraw/zinc/37/19/00/978371900.db2.gz RCNGAWLLOCNKAQ-VIFPVBQESA-N -1 0 327.358 3.120 20 50 EGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)CC(=O)[O-])c1C ZINC000737003225 978372275 /nfs/dbraw/zinc/37/22/75/978372275.db2.gz FGLUYHSDBFPKHB-MHWRWJLKSA-N -1 0 345.443 3.182 20 50 EGGDRM CCSc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000737229573 978390035 /nfs/dbraw/zinc/39/00/35/978390035.db2.gz ORAKMZLIPCTWLG-UHFFFAOYSA-N -1 0 348.336 3.019 20 50 EGGDRM C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592539889 978420909 /nfs/dbraw/zinc/42/09/09/978420909.db2.gz DPXUMVKPTINOHM-LLVKDONJSA-N -1 0 348.349 3.375 20 50 EGGDRM C[C@@H](CCc1ccccc1)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592541120 978428492 /nfs/dbraw/zinc/42/84/92/978428492.db2.gz URXHJEUIBPZMEQ-LBPRGKRZSA-N -1 0 345.374 3.171 20 50 EGGDRM CSc1ccsc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738208882 978500452 /nfs/dbraw/zinc/50/04/52/978500452.db2.gz LPBNCHNXBYHQNG-UHFFFAOYSA-N -1 0 339.350 3.296 20 50 EGGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)CCCc3ccccc3)c2c1 ZINC000739235853 978623059 /nfs/dbraw/zinc/62/30/59/978623059.db2.gz LHMSBAVCZGTUEY-UHFFFAOYSA-N -1 0 349.390 3.339 20 50 EGGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1)C(=O)[O-] ZINC000794687264 978815615 /nfs/dbraw/zinc/81/56/15/978815615.db2.gz SBAQPFWQYQFLQC-KYJZABPNSA-N -1 0 327.361 3.390 20 50 EGGDRM CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1cc(C(=O)[O-])cs1 ZINC000814747418 978879425 /nfs/dbraw/zinc/87/94/25/978879425.db2.gz PDSPCMKYTTXHBV-UHFFFAOYSA-N -1 0 341.392 3.011 20 50 EGGDRM C[C@H](Cc1ccc(NC(=O)NNc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC001592873384 979735423 /nfs/dbraw/zinc/73/54/23/979735423.db2.gz TYVCLMJDUIFQFV-SNVBAGLBSA-N -1 0 348.790 3.147 20 50 EGGDRM C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592883410 979760366 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C=C[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001588691216 983878180 /nfs/dbraw/zinc/87/81/80/983878180.db2.gz UEORNXXKLLENBR-LBPRGKRZSA-N -1 0 328.343 3.327 20 50 EGGDRM C=C[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001588691215 983878209 /nfs/dbraw/zinc/87/82/09/983878209.db2.gz UEORNXXKLLENBR-GFCCVEGCSA-N -1 0 328.343 3.327 20 50 EGGDRM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001589424440 986692876 /nfs/dbraw/zinc/69/28/76/986692876.db2.gz WBNDDUSVTWXIBI-SECBINFHSA-N -1 0 336.750 3.424 20 50 EGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@]2(C)C[C@H]2Br)cc1 ZINC001589634226 987549462 /nfs/dbraw/zinc/54/94/62/987549462.db2.gz WPFZBGKYZIPRMM-IAQYHMDHSA-N -1 0 340.217 3.161 20 50 EGGDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NNc1cc(F)ccc1F ZINC001597464309 987896238 /nfs/dbraw/zinc/89/62/38/987896238.db2.gz HMQBAGLYENHFMI-UHFFFAOYSA-N -1 0 335.310 3.374 20 50 EGGDRM CSc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001599812744 988365468 /nfs/dbraw/zinc/36/54/68/988365468.db2.gz 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601402531 /nfs/dbraw/zinc/40/25/31/601402531.db2.gz STBMAWRATIUBHO-FMIVXFBMSA-N -1 0 342.376 3.391 20 50 EGGDRM CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C)C(=O)[O-] ZINC000828906961 601753367 /nfs/dbraw/zinc/75/33/67/601753367.db2.gz NLDHKGOHWLINHK-LPPOOGIUSA-N -1 0 345.443 3.037 20 50 EGGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1c(Cl)cccc1Cl ZINC000826801066 602050363 /nfs/dbraw/zinc/05/03/63/602050363.db2.gz VIEYJVAHBMMAOX-JTQLQIEISA-N -1 0 334.203 3.119 20 50 EGGDRM COc1ccc(NNC(=O)c2ccccc2NC(=O)[O-])cc1Cl ZINC000833733454 605244476 /nfs/dbraw/zinc/24/44/76/605244476.db2.gz PVNQDUQWLASGST-UHFFFAOYSA-N -1 0 335.747 3.195 20 50 EGGDRM C[C@H]1CCC[C@@H](OCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833608137 605245911 /nfs/dbraw/zinc/24/59/11/605245911.db2.gz MKTCIDPUYPQIDX-CMPLNLGQSA-N -1 0 340.807 3.077 20 50 EGGDRM COc1cc2ccccc2cc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833730440 605736129 /nfs/dbraw/zinc/73/61/29/605736129.db2.gz ZQLCBNIGQUGHAJ-UHFFFAOYSA-N -1 0 336.347 3.304 20 50 EGGDRM C[C@@H](CCNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833514954 605743198 /nfs/dbraw/zinc/74/31/98/605743198.db2.gz HEOHGUOEMAOFKX-ZDUSSCGKSA-N -1 0 327.384 3.205 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000833422718 605775569 /nfs/dbraw/zinc/77/55/69/605775569.db2.gz HRGXTRQHIGEXFT-DGCLKSJQSA-N -1 0 342.233 3.128 20 50 EGGDRM Cc1cc(F)ccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826268818 1441886214 /nfs/dbraw/zinc/88/62/14/1441886214.db2.gz OUEZAPAZPAYYAG-NVNXTCNLSA-N -1 0 333.326 3.104 20 50 EGGDRM O=C([O-])c1ccc(CNC(=O)NNc2cc(F)cc(Cl)c2)cc1 ZINC001594774035 953581469 /nfs/dbraw/zinc/58/14/69/953581469.db2.gz WTYZORMLLSGYJB-UHFFFAOYSA-N -1 0 337.738 3.004 20 50 EGGDRM O=C([O-])C1(C(=O)NNc2cccc(Cl)c2Cl)CCCCC1 ZINC001594867848 954322189 /nfs/dbraw/zinc/32/21/89/954322189.db2.gz UIXQNKHBDUNVFI-UHFFFAOYSA-N -1 0 331.199 3.472 20 50 EGGDRM O=C([O-])COc1ccc(C=NNC(=O)c2cccc3ccccc32)cc1 ZINC000015988032 957096603 /nfs/dbraw/zinc/09/66/03/957096603.db2.gz 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332.400 3.074 20 50 EGGDRM Cc1ccccc1NNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000738776888 978601263 /nfs/dbraw/zinc/60/12/63/978601263.db2.gz BMIDIBVYDDGIID-LBPRGKRZSA-N -1 0 330.409 3.317 20 50 EGGDRM O=C([O-])c1cc(OC(=O)/C=C\c2ccccc2F)ccc1[N+](=O)[O-] ZINC000739215027 978620822 /nfs/dbraw/zinc/62/08/22/978620822.db2.gz HOPVBAXEKBZCNB-YVMONPNESA-N -1 0 331.255 3.051 20 50 EGGDRM O=C([O-])c1cc(OC(=O)CCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000739235852 978623112 /nfs/dbraw/zinc/62/31/12/978623112.db2.gz LERUKIPYPPQCNM-UHFFFAOYSA-N -1 0 329.308 3.221 20 50 EGGDRM CCC(CC)n1nc(C)cc1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595126626 979519649 /nfs/dbraw/zinc/51/96/49/979519649.db2.gz ZIRVONOHIVTMMO-UHFFFAOYSA-N -1 0 344.415 3.316 20 50 EGGDRM CC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1nc(C)cs1 ZINC001595253342 980230180 /nfs/dbraw/zinc/23/01/80/980230180.db2.gz XKDLCTMQQUTWLQ-GFCCVEGCSA-N -1 0 348.428 3.236 20 50 EGGDRM O=C([O-])c1ccc(C=NNC(=O)CCSc2ccc(F)cc2)cc1 ZINC000916345736 982674938 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CSc1ccc(C)c(C(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001599811620 988346700 /nfs/dbraw/zinc/34/67/00/988346700.db2.gz HRXJNICOIJZCRJ-UHFFFAOYSA-N -1 0 330.409 3.101 20 50 EGGDRM CSc1ccc(CCC(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001599812715 988365436 /nfs/dbraw/zinc/36/54/36/988365436.db2.gz NYPDSPZMZBARCQ-UHFFFAOYSA-N -1 0 330.409 3.183 20 50 EGGDRM CC(C)(C)c1ccc(C(=O)NN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001590481635 990075268 /nfs/dbraw/zinc/07/52/68/990075268.db2.gz LRSKSOKOAKGKOJ-AWEZNQCLSA-N -1 0 332.425 3.106 20 50 EGGDRM CC(C)(C)c1csc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)n1 ZINC001590537343 990153718 /nfs/dbraw/zinc/15/37/18/990153718.db2.gz RTQDHEBIFSJUPB-UHFFFAOYSA-N -1 0 348.428 3.216 20 50 EGGDRM CC(C)(CNC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001590726767 990521674 /nfs/dbraw/zinc/52/16/74/990521674.db2.gz ZWMOJAYOBCMZIN-UHFFFAOYSA-N -1 0 345.374 3.128 20 50 EGGDRM CC(C)C[C@@H](C)n1nccc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001591138957 991862272 /nfs/dbraw/zinc/86/22/72/991862272.db2.gz 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CCC(CC)(C(=O)[O-])C(=O)NNc1c(Cl)cc(F)cc1Cl ZINC001589476016 954958285 /nfs/dbraw/zinc/95/82/85/954958285.db2.gz PKYWGDAVCVWIPC-UHFFFAOYSA-N -1 0 337.178 3.467 20 50 EGGDRM O=C([O-])C[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1 ZINC000769526828 955321596 /nfs/dbraw/zinc/32/15/96/955321596.db2.gz KRCRFPZRUQMOHR-STQMWFEESA-N -1 0 331.503 3.414 20 50 EGGDRM CC(C)C[C@H](CNC(=O)NNc1cccc(F)c1Cl)CC(=O)[O-] ZINC001603041649 972102442 /nfs/dbraw/zinc/10/24/42/972102442.db2.gz QYWPPPSGLWAFNJ-JTQLQIEISA-N -1 0 345.802 3.242 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1 ZINC000821543970 955516399 /nfs/dbraw/zinc/51/63/99/955516399.db2.gz AEAKIHWBCMOCCY-UHFFFAOYSA-N -1 0 342.248 3.300 20 50 EGGDRM C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848452917 955741524 /nfs/dbraw/zinc/74/15/24/955741524.db2.gz ZHAPKLYGZOPCQB-LMLFDSFASA-N -1 0 348.281 3.048 20 50 EGGDRM CC(C)c1c(Cl)ncnc1NNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001603099544 972173043 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CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)CC(=O)[O-])c1C ZINC001595802761 982621586 /nfs/dbraw/zinc/62/15/86/982621586.db2.gz MHIUVDIIGGSSNY-YDRQLGOLSA-N -1 0 332.400 3.218 20 50 EGGDRM C=C(CCC(=O)[O-])C(=O)NNc1ccc(OCc2ccccc2)cc1 ZINC001588630056 983741402 /nfs/dbraw/zinc/74/14/02/983741402.db2.gz CBKWVDPBADLCDG-UHFFFAOYSA-N -1 0 340.379 3.130 20 50 EGGDRM C=Cc1ccc(CCNC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001588922034 984581006 /nfs/dbraw/zinc/58/10/06/984581006.db2.gz SYLRMBXAOAKHHX-UHFFFAOYSA-N -1 0 343.358 3.036 20 50 EGGDRM CC(=O)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)ccc1C ZINC001589270743 985965764 /nfs/dbraw/zinc/96/57/64/985965764.db2.gz VCTLAQHMRNPMAK-UHFFFAOYSA-N -1 0 345.330 3.184 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC001589698373 987779823 /nfs/dbraw/zinc/77/98/23/987779823.db2.gz BAXUHWDPDOJQRC-NSHDSACASA-N -1 0 347.180 3.377 20 50 EGGDRM CCc1cccc(C)c1NNC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001597580757 988381871 /nfs/dbraw/zinc/38/18/71/988381871.db2.gz 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C=CC[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001588771089 984137919 /nfs/dbraw/zinc/13/79/19/984137919.db2.gz NSYIAKSQDSZYIN-IAQYHMDHSA-N -1 0 335.379 3.285 20 50 EGGDRM C/C(=C\C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1C ZINC001588942769 984637999 /nfs/dbraw/zinc/63/79/99/984637999.db2.gz QTYQZUHIBUXPMK-FMIVXFBMSA-N -1 0 328.343 3.379 20 50 EGGDRM CCOc1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1F ZINC001597120278 986810248 /nfs/dbraw/zinc/81/02/48/986810248.db2.gz GHYRPIDKTDYHHI-UHFFFAOYSA-N -1 0 347.346 3.000 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC001589699137 987784361 /nfs/dbraw/zinc/78/43/61/987784361.db2.gz KLGRYBLDILSTHT-GHMZBOCLSA-N -1 0 347.180 3.304 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001589699531 987786034 /nfs/dbraw/zinc/78/60/34/987786034.db2.gz MDESCJYOZTWSEO-NSHDSACASA-N -1 0 329.190 3.238 20 50 EGGDRM C[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC001599840077 988810660 /nfs/dbraw/zinc/81/06/60/988810660.db2.gz BHJJCFRFNHGHFK-LLVKDONJSA-N -1 0 347.802 3.354 20 50 EGGDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCC[C@H]1CCSS1 ZINC001599877097 989433412 /nfs/dbraw/zinc/43/34/12/989433412.db2.gz FAYJBTVAEFPSEJ-UPJWGTAASA-N -1 0 331.503 3.412 20 50 EGGDRM COc1ccccc1C[C@H](C)CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599708045 991323427 /nfs/dbraw/zinc/32/34/27/991323427.db2.gz CYQKAZXXNSQIEE-ZDUSSCGKSA-N -1 0 342.395 3.105 20 50 EGGDRM COc1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)[O-])co2)cc1Cl ZINC001599590964 993682903 /nfs/dbraw/zinc/68/29/03/993682903.db2.gz SBIUAQMWEXVDQE-WTKPLQERSA-N -1 0 346.726 3.185 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)CCc1ccccc1Cl ZINC001599376704 998498335 /nfs/dbraw/zinc/49/83/35/998498335.db2.gz BIBZCYDSVYDITP-UHFFFAOYSA-N -1 0 348.786 3.123 20 50 EGGDRM CO[C@@H](C)c1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001599040950 999117402 /nfs/dbraw/zinc/11/74/02/999117402.db2.gz DXIFVJCWUSYWLB-NSHDSACASA-N -1 0 329.356 3.241 20 50 EGGDRM CC(C)(Oc1cccc(Cl)c1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833463792 605732331 /nfs/dbraw/zinc/73/23/31/605732331.db2.gz ZEDOEYPYYVQKKR-UHFFFAOYSA-N -1 0 348.786 3.339 20 50 EGGDRM CC(C)(C)c1ccc(OCC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833448880 605734849 /nfs/dbraw/zinc/73/48/49/605734849.db2.gz JJYNSOLMWQRRAM-UHFFFAOYSA-N -1 0 342.395 3.204 20 50 EGGDRM CC[C@@H](C)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825076115 1425025594 /nfs/dbraw/zinc/02/55/94/1425025594.db2.gz TTYIEUTXMDOJQF-GFCCVEGCSA-N -1 0 336.399 3.137 20 50 EGGDRM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)C1CCCCC1 ZINC000819773188 1425705982 /nfs/dbraw/zinc/70/59/82/1425705982.db2.gz RLRWDEAOIHFDHR-GFCCVEGCSA-N -1 0 340.431 3.189 20 50 EGGDRM CC(C)[C@H]1CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000824216695 1442229418 /nfs/dbraw/zinc/22/94/18/1442229418.db2.gz VHDYAWOISMLMSW-BLLLJJGKSA-N -1 0 340.431 3.045 20 50 EGGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNc1ccccc1Cc1ccccc1 ZINC001602970454 971975653 /nfs/dbraw/zinc/97/56/53/971975653.db2.gz UCTPWGFCQNTFNX-KRWDZBQOSA-N -1 0 326.396 3.077 20 50 EGGDRM O=C([O-])[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc21)C1CCCC1 ZINC001594836605 954031545 /nfs/dbraw/zinc/03/15/45/954031545.db2.gz ZHQSPWKJHPHURR-OAHLLOKOSA-N -1 0 347.802 3.222 20 50 EGGDRM C[C@](CNC(=O)NNc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589057208 955707351 /nfs/dbraw/zinc/70/73/51/955707351.db2.gz ZLFDXKQJUQPTMR-QGZVFWFLSA-N -1 0 347.802 3.009 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001573462631 958921141 /nfs/dbraw/zinc/92/11/41/958921141.db2.gz IEYFRCKLXUPPKC-ZDUSSCGKSA-N -1 0 339.508 3.030 20 50 EGGDRM Cc1cccc(NNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1Cl ZINC001594409189 958931443 /nfs/dbraw/zinc/93/14/43/958931443.db2.gz YJPQTFNNEFZVQB-LLVKDONJSA-N -1 0 327.812 3.021 20 50 EGGDRM Cc1ccccc1C1(C(=O)NN=c2[nH]cccc2C(=O)[O-])CCCC1 ZINC001594415769 958999054 /nfs/dbraw/zinc/99/90/54/958999054.db2.gz RWFDEGNWDQFRNL-UHFFFAOYSA-N -1 0 339.395 3.043 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)CCCCC(=O)[O-])C1 ZINC001588739517 961152528 /nfs/dbraw/zinc/15/25/28/961152528.db2.gz SKDGBWOYZAOIHK-CYBMUJFWSA-N -1 0 329.513 3.254 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000836722091 969213661 /nfs/dbraw/zinc/21/36/61/969213661.db2.gz SAVHVDBEMUKKHT-CYBMUJFWSA-N -1 0 342.233 3.452 20 50 EGGDRM O=C([O-])c1cncc(NC(=O)NNc2cccc(Cl)c2Cl)c1 ZINC001605815665 972544463 /nfs/dbraw/zinc/54/44/63/972544463.db2.gz OZHPBICYNOXBRO-UHFFFAOYSA-N -1 0 341.154 3.235 20 50 EGGDRM O=C([O-])[C@H](C(=O)NNc1ccc(Cl)cc1Cl)C1CCCC1 ZINC001605898011 972707655 /nfs/dbraw/zinc/70/76/55/972707655.db2.gz HNHJFRMWMDQBGB-LBPRGKRZSA-N -1 0 331.199 3.328 20 50 EGGDRM CCC[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001603627943 973941752 /nfs/dbraw/zinc/94/17/52/973941752.db2.gz NJIXVJKIVXLWPH-CYBMUJFWSA-N -1 0 347.802 3.460 20 50 EGGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC001606528514 974034348 /nfs/dbraw/zinc/03/43/48/974034348.db2.gz KQWCIHVJHAISQG-IAGOWNOFSA-N -1 0 347.374 3.180 20 50 EGGDRM C[C@@H](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001592253283 977485046 /nfs/dbraw/zinc/48/50/46/977485046.db2.gz ULPZZGIKQUDLDB-JTQLQIEISA-N -1 0 334.322 3.300 20 50 EGGDRM O=C([O-])NNC(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000740004015 978662589 /nfs/dbraw/zinc/66/25/89/978662589.db2.gz YESHYTKSZXEQMA-UHFFFAOYSA-N -1 0 331.397 3.424 20 50 EGGDRM O=C([O-])c1occc1C=NNC(=O)c1c(Cl)cccc1Cl ZINC000740280750 978673593 /nfs/dbraw/zinc/67/35/93/978673593.db2.gz FHCMAHBBHFZZJK-UHFFFAOYSA-N -1 0 327.123 3.049 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2ccc(C(F)F)cc2)ccc1[N+](=O)[O-] ZINC000740306608 978674313 /nfs/dbraw/zinc/67/43/13/978674313.db2.gz GCILJJNPHRMCDM-UHFFFAOYSA-N -1 0 337.234 3.450 20 50 EGGDRM C[C@@H](CSCc1ccccc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592826214 979549317 /nfs/dbraw/zinc/54/93/17/979549317.db2.gz XLBHIGASRDURQN-ZDUSSCGKSA-N -1 0 344.436 3.397 20 50 EGGDRM CC[C@@H](Nc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595318182 980498532 /nfs/dbraw/zinc/49/85/32/980498532.db2.gz HABDUMABOAVHMJ-OAHLLOKOSA-N -1 0 327.384 3.027 20 50 EGGDRM CCCN(C)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001595839566 982754224 /nfs/dbraw/zinc/75/42/24/982754224.db2.gz JWKVJCMARDZVRM-UHFFFAOYSA-N -1 0 345.374 3.127 20 50 EGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@](C)(CCC)C(=O)[O-])c1C ZINC001596108090 983432810 /nfs/dbraw/zinc/43/28/10/983432810.db2.gz PCONPLJISFYPMC-QMDZLVRISA-N -1 0 345.443 3.182 20 50 EGGDRM Cc1c2ccccc2oc1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599981865 986174884 /nfs/dbraw/zinc/17/48/84/986174884.db2.gz FCUHLZYLCYKRSO-UHFFFAOYSA-N -1 0 328.299 3.335 20 50 EGGDRM CCOc1ccc(NNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC001597125890 986833904 /nfs/dbraw/zinc/83/39/04/986833904.db2.gz JDSDFZKULNJUIB-LBPRGKRZSA-N -1 0 343.383 3.422 20 50 EGGDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NNc2cc(F)ccc2F)cc1 ZINC001589512146 987146683 /nfs/dbraw/zinc/14/66/83/987146683.db2.gz OIJZDIBMXMEMNQ-VIFPVBQESA-N -1 0 335.310 3.302 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001589699884 987788338 /nfs/dbraw/zinc/78/83/38/987788338.db2.gz SRWVXXRCDBJBRR-VXGBXAGGSA-N -1 0 348.281 3.193 20 50 EGGDRM CSc1ccc(NNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001599820534 988505650 /nfs/dbraw/zinc/50/56/50/988505650.db2.gz AEVFVFHFIBSUKL-QAPCUYQASA-N -1 0 342.420 3.110 20 50 EGGDRM CCc1nc(C(C)C)ccc1C(=O)NNc1ccccc1C(=O)[O-] ZINC001597652052 988696964 /nfs/dbraw/zinc/69/69/64/988696964.db2.gz IAYMYCSMGJCMPW-UHFFFAOYSA-N -1 0 327.384 3.223 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001590451207 990011777 /nfs/dbraw/zinc/01/17/77/990011777.db2.gz GLNKBDSYWZZDNY-GFCCVEGCSA-N -1 0 337.496 3.165 20 50 EGGDRM CS[C@H](C(=O)NNc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001599781683 992372708 /nfs/dbraw/zinc/37/27/08/992372708.db2.gz WJQQBQQVIYCPFC-HNNXBMFYSA-N -1 0 330.409 3.241 20 50 EGGDRM CN(NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1ccccn1 ZINC001598541812 992911001 /nfs/dbraw/zinc/91/10/01/992911001.db2.gz RZVBCQBDCVWORC-UHFFFAOYSA-N -1 0 342.380 3.167 20 50 EGGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[C@@]12C[C@@H]1CCCC2 ZINC001593101392 993735283 /nfs/dbraw/zinc/73/52/83/993735283.db2.gz FKCLZBJMTWMKOH-PSVSLLHZSA-N -1 0 335.379 3.119 20 50 EGGDRM CC1(C)C[C@@]1(C(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001593865704 996671831 /nfs/dbraw/zinc/67/18/31/996671831.db2.gz TYNIAZUJGNVCIV-IBGZPJMESA-N -1 0 342.370 3.335 20 50 EGGDRM COc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)c(Cl)c1 ZINC001599483586 996807241 /nfs/dbraw/zinc/80/72/41/996807241.db2.gz DTQOAIFRHKCASW-UHFFFAOYSA-N -1 0 334.759 3.112 20 50 EGGDRM COc1cc(C)c(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1C ZINC001599393839 997087592 /nfs/dbraw/zinc/08/75/92/997087592.db2.gz QLZUGQAGAMUPPU-UHFFFAOYSA-N -1 0 329.356 3.159 20 50 EGGDRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccc(C(=O)[O-])cc2F)o1 ZINC001594280189 999087465 /nfs/dbraw/zinc/08/74/65/999087465.db2.gz SHVCEJPRAGIALJ-MFKMUULPSA-N -1 0 346.358 3.316 20 50 EGGDRM CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C)C(=O)[O-] ZINC000828906957 601753340 /nfs/dbraw/zinc/75/33/40/601753340.db2.gz NLDHKGOHWLINHK-BRVCPTFNSA-N -1 0 345.443 3.037 20 50 EGGDRM N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000833064021 601789509 /nfs/dbraw/zinc/78/95/09/601789509.db2.gz OSLWLDGFTGSHQF-OQFOIZHKSA-N -1 0 333.706 3.051 20 50 EGGDRM O=C([O-])c1cccc(CC(=O)NNc2c(Cl)cccc2Cl)c1 ZINC000833765907 604789321 /nfs/dbraw/zinc/78/93/21/604789321.db2.gz VTDKCKODLSIGCP-UHFFFAOYSA-N -1 0 339.178 3.377 20 50 EGGDRM O=C([O-])c1cccc(CC(=O)NNc2ccc(C(F)(F)F)cc2)c1 ZINC000833765740 604795522 /nfs/dbraw/zinc/79/55/22/604795522.db2.gz KLVKAPMHJZVTPI-UHFFFAOYSA-N -1 0 338.285 3.089 20 50 EGGDRM CC(C)(C(=O)[O-])[C@H]1CCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1 ZINC000833414865 604942319 /nfs/dbraw/zinc/94/23/19/604942319.db2.gz OXXCPRSGESMYJI-BRSWLGOBSA-N -1 0 343.383 3.282 20 50 EGGDRM CCC(CC)n1nc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1C ZINC000833641922 605737745 /nfs/dbraw/zinc/73/77/45/605737745.db2.gz SMTUDPTVSAYSGP-UHFFFAOYSA-N -1 0 330.388 3.008 20 50 EGGDRM CCc1ccc(C(=O)CCC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833670026 605738265 /nfs/dbraw/zinc/73/82/65/605738265.db2.gz QBLDQLOYHUNWKK-UHFFFAOYSA-N -1 0 340.379 3.053 20 50 EGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CCCC(=O)[O-])c1C ZINC001589667112 949899459 /nfs/dbraw/zinc/89/94/59/949899459.db2.gz HVLFBBJMUWZZSN-ATVHPVEESA-N -1 0 345.443 3.135 20 50 EGGDRM O=C([O-])[C@]1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CC=CCC1 ZINC001594878307 954395601 /nfs/dbraw/zinc/39/56/01/954395601.db2.gz IGKZQUWPIPSUDX-SFHVURJKSA-N -1 0 341.319 3.465 20 50 EGGDRM O=C([O-])CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F ZINC000819527668 955448626 /nfs/dbraw/zinc/44/86/26/955448626.db2.gz WEIAAMKYWCORRR-SECBINFHSA-N -1 0 342.726 3.112 20 50 EGGDRM Cc1cc(C)c(NNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c1 ZINC001594296654 957875077 /nfs/dbraw/zinc/87/50/77/957875077.db2.gz NRKXMWZGURPGDN-HNNXBMFYSA-N -1 0 335.448 3.375 20 50 EGGDRM Cc1cccc(NNC(=O)NCc2ccc(C(=O)[O-])cc2)c1Cl ZINC001594408906 958929636 /nfs/dbraw/zinc/92/96/36/958929636.db2.gz SZBLLHYHIHUVPE-UHFFFAOYSA-N -1 0 333.775 3.173 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1 ZINC001573664891 959684947 /nfs/dbraw/zinc/68/49/47/959684947.db2.gz NLXPGXVZXNBEBM-SJKOYZFVSA-N -1 0 341.524 3.110 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)CCCCC(=O)[O-])C1 ZINC001588739518 961154801 /nfs/dbraw/zinc/15/48/01/961154801.db2.gz SKDGBWOYZAOIHK-ZDUSSCGKSA-N -1 0 329.513 3.254 20 50 EGGDRM O=C([O-])c1ccc(/C=C\C(=O)NNc2cccc(Cl)c2Cl)o1 ZINC001574512727 961814479 /nfs/dbraw/zinc/81/44/79/961814479.db2.gz AAOHPOVPCKLDNJ-ALCCZGGFSA-N -1 0 341.150 3.441 20 50 EGGDRM O=C([O-])C1(C(=O)NNc2ccc(OC(F)F)cc2)CCCCCC1 ZINC001574633762 962319720 /nfs/dbraw/zinc/31/97/20/962319720.db2.gz VFAWCXKROJREKL-UHFFFAOYSA-N -1 0 342.342 3.156 20 50 EGGDRM O=C([O-])c1cccc(C(=O)NNc2ccccc2OC(F)(F)F)c1 ZINC001606508520 973997571 /nfs/dbraw/zinc/99/75/71/973997571.db2.gz JBZVXUVMYAVTSF-UHFFFAOYSA-N -1 0 340.257 3.040 20 50 EGGDRM CC(C)c1cccc(OCC(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001591994126 976628334 /nfs/dbraw/zinc/62/83/34/976628334.db2.gz BWKQFJCLIRRMRA-UHFFFAOYSA-N -1 0 346.358 3.169 20 50 EGGDRM C[C@H](CC(=O)NNc1ccc(C(=O)[O-])cc1F)c1cccc(F)c1 ZINC001592251283 977478254 /nfs/dbraw/zinc/47/82/54/977478254.db2.gz AMFHEOWRKDKXGF-SNVBAGLBSA-N -1 0 334.322 3.300 20 50 EGGDRM C[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001592251606 977479571 /nfs/dbraw/zinc/47/95/71/977479571.db2.gz GBCCYRRZNPZQGK-SNVBAGLBSA-N -1 0 334.322 3.300 20 50 EGGDRM C[C@H](CCC(C)(C)C)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592479186 978256238 /nfs/dbraw/zinc/25/62/38/978256238.db2.gz ZTDBYQARNKWCRF-SNVBAGLBSA-N -1 0 325.384 3.365 20 50 EGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CCC(=O)[O-])C(C)C)c1C ZINC000737049630 978376387 /nfs/dbraw/zinc/37/63/87/978376387.db2.gz FGGCDYHBVNOZPT-BOPFTXTBSA-N -1 0 345.443 3.134 20 50 EGGDRM CCc1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737260220 978393494 /nfs/dbraw/zinc/39/34/94/978393494.db2.gz FCWCKAKRTJCWNX-UHFFFAOYSA-N -1 0 329.308 3.004 20 50 EGGDRM COc1cccc([C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738091642 978475566 /nfs/dbraw/zinc/47/55/66/978475566.db2.gz MGZPLAVYRZUCSB-JTQLQIEISA-N -1 0 345.307 3.011 20 50 EGGDRM O=C([O-])c1ccc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000739453392 978637214 /nfs/dbraw/zinc/63/72/14/978637214.db2.gz GSSDFYULPVEIOH-UHFFFAOYSA-N -1 0 349.293 3.142 20 50 EGGDRM O=C([O-])Nc1cccc(C(=O)NN=c2[nH]ccc3sccc32)c1 ZINC000740034596 978664596 /nfs/dbraw/zinc/66/45/96/978664596.db2.gz XNZBTBGTCICQFO-UHFFFAOYSA-N -1 0 328.353 3.143 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000740306434 978673973 /nfs/dbraw/zinc/67/39/73/978673973.db2.gz AFSQEULTMKVSAP-UHFFFAOYSA-N -1 0 339.662 3.305 20 50 EGGDRM O=C([O-])c1cccc(C=NNC(=O)Cc2ccc3ccccc3c2)c1 ZINC000814807584 978886728 /nfs/dbraw/zinc/88/67/28/978886728.db2.gz BUOBGAYPZWDMOC-UHFFFAOYSA-N -1 0 332.359 3.231 20 50 EGGDRM COc1ccc(Cl)c(NC(=O)NN=C2CCC(C(=O)[O-])CC2)c1 ZINC000814992644 978900081 /nfs/dbraw/zinc/90/00/81/978900081.db2.gz OXUXZSMLNCMDDK-UHFFFAOYSA-N -1 0 339.779 3.101 20 50 EGGDRM C[C@H](Cc1ccc(NC(=O)NNc2ccccc2F)cc1)C(=O)[O-] ZINC001592874074 979738944 /nfs/dbraw/zinc/73/89/44/979738944.db2.gz XFFPUZMUIVWWQP-LLVKDONJSA-N -1 0 331.347 3.238 20 50 EGGDRM CC[C@H](Oc1cccc(C)c1)C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595356603 980713624 /nfs/dbraw/zinc/71/36/24/980713624.db2.gz LKDWGLIGKWAXIE-KRWDZBQOSA-N -1 0 342.395 3.302 20 50 EGGDRM CC[C@H](C)[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC001594866656 982177331 /nfs/dbraw/zinc/17/73/31/982177331.db2.gz UBAASFASCAEAEA-BLLLJJGKSA-N -1 0 327.384 3.053 20 50 EGGDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001588770635 984135146 /nfs/dbraw/zinc/13/51/46/984135146.db2.gz BPLYBNFNBMYLQB-HOCLYGCPSA-N -1 0 331.416 3.075 20 50 EGGDRM C=COc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001588914522 984558888 /nfs/dbraw/zinc/55/88/88/984558888.db2.gz ZZHJVQSFNHPLSQ-UHFFFAOYSA-N -1 0 327.340 3.364 20 50 EGGDRM C/C(=C\C(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001588942626 984637188 /nfs/dbraw/zinc/63/71/88/984637188.db2.gz OLEIJOVFCCRCKR-CSKARUKUSA-N -1 0 332.306 3.210 20 50 EGGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1cc(Cl)ccc1Cl ZINC001599957064 985705562 /nfs/dbraw/zinc/70/55/62/985705562.db2.gz BKNBVGHBGSNHON-UHFFFAOYSA-N -1 0 342.182 3.393 20 50 EGGDRM CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1F)c1cccc(F)c1 ZINC001589575072 987352770 /nfs/dbraw/zinc/35/27/70/987352770.db2.gz XUEPGFLUJYXAGZ-UHFFFAOYSA-N -1 0 334.322 3.084 20 50 EGGDRM CSc1ccc(C)c(C(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001599811588 988345775 /nfs/dbraw/zinc/34/57/75/988345775.db2.gz FTQRWFBHJBPXIK-UHFFFAOYSA-N -1 0 330.409 3.480 20 50 EGGDRM CC(C)CC1(CNC(=O)NNc2ccc(CC(=O)[O-])cc2)CCC1 ZINC001591196951 992014637 /nfs/dbraw/zinc/01/46/37/992014637.db2.gz PIFSPBQYKBQMJQ-UHFFFAOYSA-N -1 0 333.432 3.156 20 50 EGGDRM C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)C1CCC(F)CC1 ZINC001593101782 993737992 /nfs/dbraw/zinc/73/79/92/993737992.db2.gz KWQSSGYKSKJCJT-KPPDAEKUSA-N -1 0 341.358 3.067 20 50 EGGDRM COc1ccc(/C=C(\C#N)C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001599541469 997850183 /nfs/dbraw/zinc/85/01/83/997850183.db2.gz OZEOAVJBHVJGCZ-GLNPCMGASA-N -1 0 331.368 3.035 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc2c(c1)CCC=C2 ZINC001599375805 998483777 /nfs/dbraw/zinc/48/37/77/998483777.db2.gz BHBDEJUDWGWSLP-UHFFFAOYSA-N -1 0 338.363 3.110 20 50 EGGDRM C[C@H]1CCc2nc(NC(=O)NNc3cccc(C(=O)[O-])c3)sc2C1 ZINC001594450526 999647566 /nfs/dbraw/zinc/64/75/66/999647566.db2.gz HHBKLYWRCKQBQL-VIFPVBQESA-N -1 0 346.412 3.115 20 50 EGGDRM O=C([O-])[C@H](NNC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000833149620 600733640 /nfs/dbraw/zinc/73/36/40/600733640.db2.gz WTALBKIKQFCDCY-CYBMUJFWSA-N -1 0 339.178 3.054 20 50 EGGDRM Cc1cc(C)c(NNC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000832875540 600789448 /nfs/dbraw/zinc/78/94/48/600789448.db2.gz ZFBFTWKJSJVSKZ-UHFFFAOYSA-N -1 0 326.396 3.386 20 50 EGGDRM O=C([O-])[C@H](NNC(=O)c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000833149576 601380707 /nfs/dbraw/zinc/38/07/07/601380707.db2.gz UQXTWKOBEJPRQI-OAHLLOKOSA-N -1 0 344.754 3.147 20 50 EGGDRM CCc1oc(C(=O)[O-])cc1COC(=O)/C(C#N)=C/c1ccc(C)cc1 ZINC000830379377 601459001 /nfs/dbraw/zinc/45/90/01/601459001.db2.gz TYGJSNRTBAEBDS-RIYZIHGNSA-N -1 0 339.347 3.499 20 50 EGGDRM Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)nc21 ZINC000832983711 602113230 /nfs/dbraw/zinc/11/32/30/602113230.db2.gz FBAWWPLHEVBAAV-IGVUGNCQSA-N -1 0 348.362 3.182 20 50 EGGDRM CC(C)[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1cccc(Cl)c1 ZINC000833465879 604800145 /nfs/dbraw/zinc/80/01/45/604800145.db2.gz OWSRCKJQFIIYND-HNNXBMFYSA-N -1 0 347.802 3.316 20 50 EGGDRM CC(C)(C)C1CCC(=CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC1 ZINC000833426295 604800202 /nfs/dbraw/zinc/80/02/02/604800202.db2.gz SBRRMYLXOHYRNV-UHFFFAOYSA-N -1 0 331.416 3.386 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1F ZINC000833149037 604928080 /nfs/dbraw/zinc/92/80/80/604928080.db2.gz XPAVZYUDWJSKGG-UHFFFAOYSA-N -1 0 342.248 3.300 20 50 EGGDRM CC(C)(Oc1ccc(Cl)cc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833462893 605257619 /nfs/dbraw/zinc/25/76/19/605257619.db2.gz NWCYAROWSSRRCD-UHFFFAOYSA-N -1 0 348.786 3.339 20 50 EGGDRM CC(C)[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833466343 605734766 /nfs/dbraw/zinc/73/47/66/605734766.db2.gz XGYYNLYBTHIYTL-MRXNPFEDSA-N -1 0 330.359 3.407 20 50 EGGDRM O=C([O-])c1cccc(NNC(=O)Cc2csc3ccccc23)c1 ZINC000833765483 605736234 /nfs/dbraw/zinc/73/62/34/605736234.db2.gz PWMOWHODCGTJNL-UHFFFAOYSA-N -1 0 326.377 3.285 20 50 EGGDRM COc1ccc2oc(C(=O)NNc3cccc(C(=O)[O-])c3)c(C)c2c1 ZINC000833734993 605738465 /nfs/dbraw/zinc/73/84/65/605738465.db2.gz PIEJMFXOQLIOER-UHFFFAOYSA-N -1 0 340.335 3.205 20 50 EGGDRM Cc1ccc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826285360 1425034728 /nfs/dbraw/zinc/03/47/28/1425034728.db2.gz XMIXZWKZDIECIX-YVLHZVERSA-N -1 0 329.363 3.273 20 50 EGGDRM Cc1cccc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)c1C ZINC000822284561 1426718319 /nfs/dbraw/zinc/71/83/19/1426718319.db2.gz VCJBIGMHPNXJPM-SDQBBNPISA-N -1 0 335.392 3.335 20 50 EGGDRM CC[C@H](C)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825076116 1426796024 /nfs/dbraw/zinc/79/60/24/1426796024.db2.gz TTYIEUTXMDOJQF-LBPRGKRZSA-N -1 0 336.399 3.137 20 50 EGGDRM Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000826297006 1430111827 /nfs/dbraw/zinc/11/18/27/1430111827.db2.gz RMMNAWWPKDEDBZ-GDNBJRDFSA-N -1 0 344.378 3.029 20 50 EGGDRM Cc1cc(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822196556 1442072183 /nfs/dbraw/zinc/07/21/83/1442072183.db2.gz NJFCPLYRUAPDJE-JYRVWZFOSA-N -1 0 335.392 3.335 20 50 EGGDRM O=C([O-])c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)nc1 ZINC001595224772 949277887 /nfs/dbraw/zinc/27/78/87/949277887.db2.gz ADLRWNLHJDMPFH-UHFFFAOYSA-N -1 0 338.275 3.060 20 50 EGGDRM O=C([O-])c1c(F)ccc(NC(=O)NNc2ccc(F)cc2)c1Cl ZINC001594780172 953623545 /nfs/dbraw/zinc/62/35/45/953623545.db2.gz LZASXIFYYYHZBI-UHFFFAOYSA-N -1 0 341.701 3.465 20 50 EGGDRM O=C([O-])/C=C\c1cc(C(=O)NNc2ccccc2C(F)(F)F)co1 ZINC001594968758 955083344 /nfs/dbraw/zinc/08/33/44/955083344.db2.gz QRFSOPACZZCOIR-WAYWQWQTSA-N -1 0 340.257 3.153 20 50 EGGDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cccc(CCl)c2)c2ccccc21 ZINC001605745086 972396538 /nfs/dbraw/zinc/39/65/38/972396538.db2.gz YWIVCOQXBDCYSB-HZPDHXFCSA-N -1 0 329.783 3.468 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001573391223 963126603 /nfs/dbraw/zinc/12/66/03/963126603.db2.gz ULGHTGHFSPSLLD-SNVBAGLBSA-N -1 0 334.254 3.090 20 50 EGGDRM Cc1cccc(C2(C(=O)NN=c3[nH]cccc3C(=O)[O-])CCCC2)c1 ZINC001605336011 973223012 /nfs/dbraw/zinc/22/30/12/973223012.db2.gz YFUCTAZAMRAJGB-UHFFFAOYSA-N -1 0 339.395 3.043 20 50 EGGDRM CCC(CC)(CNC(=O)NNc1cccc(C)c1Cl)C(=O)[O-] ZINC001603536908 973592827 /nfs/dbraw/zinc/59/28/27/973592827.db2.gz XRPVSASJESUCQQ-UHFFFAOYSA-N -1 0 327.812 3.166 20 50 EGGDRM CCCCS[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737001326 978372443 /nfs/dbraw/zinc/37/24/43/978372443.db2.gz RCNGAWLLOCNKAQ-SECBINFHSA-N -1 0 327.358 3.120 20 50 EGGDRM C[C@H](CCc1cccc(F)c1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592540846 978427107 /nfs/dbraw/zinc/42/71/07/978427107.db2.gz RYZWUYAMEKYVMM-LLVKDONJSA-N -1 0 348.349 3.375 20 50 EGGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738922061 978608727 /nfs/dbraw/zinc/60/87/27/978608727.db2.gz DJKRLVPNFNNUBN-UHFFFAOYSA-N -1 0 349.818 3.008 20 50 EGGDRM O=C([O-])NNC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000740003099 978662137 /nfs/dbraw/zinc/66/21/37/978662137.db2.gz NEBAPUKSNZSAPW-UHFFFAOYSA-N -1 0 325.724 3.001 20 50 EGGDRM CC[C@H](Cc1ccccc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001595212204 979996592 /nfs/dbraw/zinc/99/65/92/979996592.db2.gz YFFGPIPSCAYOIP-CYBMUJFWSA-N -1 0 330.359 3.236 20 50 EGGDRM CC[C@@H](Cc1ccccc1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595213686 980008885 /nfs/dbraw/zinc/00/88/85/980008885.db2.gz VRBUBFYWVFKPRA-ZDUSSCGKSA-N -1 0 345.374 3.171 20 50 EGGDRM CCC[C@@H](C)CC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595570843 981476238 /nfs/dbraw/zinc/47/62/38/981476238.db2.gz JMKRBAQQRNHDPV-SECBINFHSA-N -1 0 343.221 3.417 20 50 EGGDRM CCC[C@@H](Cc1ccccc1)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595594205 981560798 /nfs/dbraw/zinc/56/07/98/981560798.db2.gz NJWNRZNAYBIEJI-INIZCTEOSA-N -1 0 341.411 3.422 20 50 EGGDRM CC[C@H](C)C(=O)NN=C(C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001594866452 982176002 /nfs/dbraw/zinc/17/60/02/982176002.db2.gz MRVYNYQALDGSSD-QMMMGPOBSA-N -1 0 333.413 3.189 20 50 EGGDRM CC[C@H](C)Oc1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])cc1 ZINC001594999195 982905390 /nfs/dbraw/zinc/90/53/90/982905390.db2.gz AZLXPFAYEHIMAI-NSHDSACASA-N -1 0 346.358 3.458 20 50 EGGDRM C=CC[C@H](Cc1ccccc1)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001588745334 984050927 /nfs/dbraw/zinc/05/09/27/984050927.db2.gz YGSRKCHDSIHVJW-MRXNPFEDSA-N -1 0 339.395 3.198 20 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PGVSEGDZIVRSKR-AWEZNQCLSA-N -1 0 349.337 3.440 20 50 EGGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@H]1CC2CCC1CC2 ZINC001593101898 993738664 /nfs/dbraw/zinc/73/86/64/993738664.db2.gz MWONVOOECQHPHW-PIISCBOPSA-N -1 0 331.416 3.226 20 50 EGGDRM CC1(C)CCC[C@H](CNC(=O)NNc2ccc(CC(=O)[O-])cc2)C1 ZINC001593887958 996728959 /nfs/dbraw/zinc/72/89/59/996728959.db2.gz MKMWGBGVFHQJGM-AWEZNQCLSA-N -1 0 333.432 3.156 20 50 EGGDRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)o1 ZINC001594280143 999087441 /nfs/dbraw/zinc/08/74/41/999087441.db2.gz RILHUACUZDIIDU-BXKDBHETSA-N -1 0 347.346 3.067 20 50 EGGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)[C@H]1CCC[C@@H](C)C1 ZINC001594354281 999338701 /nfs/dbraw/zinc/33/87/01/999338701.db2.gz BUMIRKPHLNPFEI-WOPDTQHZSA-N -1 0 337.395 3.365 20 50 EGGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNc2ccnc3cc(Cl)ccc32)C1 ZINC000833183810 601209335 /nfs/dbraw/zinc/20/93/35/601209335.db2.gz KCYFZNLYWMOJKY-MNOVXSKESA-N -1 0 347.802 3.222 20 50 EGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)OC/C=C(\C)C(=O)[O-])c1C ZINC000829446478 601412152 /nfs/dbraw/zinc/41/21/52/601412152.db2.gz ASTYFTUZJGUWFU-MFYGHKCCSA-N -1 0 344.411 3.386 20 50 EGGDRM N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1cccc2ccccc21 ZINC000833063378 601444732 /nfs/dbraw/zinc/44/47/32/601444732.db2.gz JFENZVQYOZVQMS-RAXLEYEMSA-N -1 0 331.331 3.412 20 50 EGGDRM Cc1sc(C(=O)[O-])cc1COC(=O)/C(C#N)=C\c1ccc(O)cc1 ZINC000833031711 601733471 /nfs/dbraw/zinc/73/34/71/601733471.db2.gz NCUJBSJBJMNGLJ-SDQBBNPISA-N -1 0 343.360 3.111 20 50 EGGDRM Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1 ZINC000832854685 601789480 /nfs/dbraw/zinc/78/94/80/601789480.db2.gz OXRCDWUZUYBIEH-VZUCSPMQSA-N -1 0 329.743 3.220 20 50 EGGDRM O=C([O-])NN=C(Cc1ccc(Br)cc1)C(F)(F)F ZINC000833281421 602180056 /nfs/dbraw/zinc/18/00/56/602180056.db2.gz ZSYPBDHXQDVELI-UHFFFAOYSA-N -1 0 325.084 3.178 20 50 EGGDRM CC(C)(C)c1ccc(C=CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833448845 604800029 /nfs/dbraw/zinc/80/00/29/604800029.db2.gz ISLUYASVXYQMPF-IZZDOVSWSA-N -1 0 339.395 3.234 20 50 EGGDRM CC(C)c1ccc(/C=C/CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833510410 605071581 /nfs/dbraw/zinc/07/15/81/605071581.db2.gz VHHGKGRAYJLQOV-ONEGZZNKSA-N -1 0 339.395 3.450 20 50 EGGDRM CC(C)Nc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000833504616 605260027 /nfs/dbraw/zinc/26/00/27/605260027.db2.gz LSMDEVUXXNPPEI-UHFFFAOYSA-N -1 0 348.790 3.010 20 50 EGGDRM Cc1[nH]c(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)c1C(=O)[O-] ZINC000833739998 605740348 /nfs/dbraw/zinc/74/03/48/605740348.db2.gz LNIKIOGEIXVMCB-UHFFFAOYSA-N -1 0 329.400 3.384 20 50 EGGDRM CC(C)C(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735684454 1427340520 /nfs/dbraw/zinc/34/05/20/1427340520.db2.gz NNYKOXIMNZIQPK-UHFFFAOYSA-N -1 0 340.431 3.189 20 50 EGGDRM Cc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822284301 1443631630 /nfs/dbraw/zinc/63/16/30/1443631630.db2.gz NXWJNEBGHHFZRL-NVNXTCNLSA-N -1 0 347.353 3.413 20 50 EGGDRM CC(C)(C)CC[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)[O-] ZINC001602859303 971709096 /nfs/dbraw/zinc/70/90/96/971709096.db2.gz FKIDAERBFLCFJT-WVUXNXBLSA-N -1 0 332.375 3.128 20 50 EGGDRM CCSCc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001593597798 953383780 /nfs/dbraw/zinc/38/37/80/953383780.db2.gz SLXPXSDKKGPKNH-UHFFFAOYSA-N -1 0 346.412 3.182 20 50 EGGDRM O=C([O-])c1ccc(NC(=O)NNc2cc(F)cc(Cl)c2)c(F)c1 ZINC001594780519 953626466 /nfs/dbraw/zinc/62/64/66/953626466.db2.gz URSGDQSDBRAPJH-UHFFFAOYSA-N -1 0 341.701 3.465 20 50 EGGDRM C[C@@H]1CC[C@](C)(C=CC(=O)NN=c2[nH]cccc2C(=O)[O-])C1(C)C ZINC001589324038 953886990 /nfs/dbraw/zinc/88/69/90/953886990.db2.gz QMKUVQPHBVGCFZ-XHQXLQHBSA-N -1 0 331.416 3.242 20 50 EGGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNc1ccc(OCc2ccccc2)cc1 ZINC001602970496 971975442 /nfs/dbraw/zinc/97/54/42/971975442.db2.gz VUERVPHIORUSAS-KRWDZBQOSA-N -1 0 342.395 3.066 20 50 EGGDRM CC1(C(=O)[O-])CCN(C(=O)CCCC[C@H]2CCSS2)CC1 ZINC000843336612 955643049 /nfs/dbraw/zinc/64/30/49/955643049.db2.gz ADIDZTKQFUJLFS-LBPRGKRZSA-N -1 0 331.503 3.414 20 50 EGGDRM Cn1c2ccccc2nc1/C(C#N)=C\c1ccc(OCC(=O)[O-])cc1 ZINC000044720925 957449460 /nfs/dbraw/zinc/44/94/60/957449460.db2.gz NUYUMAJKOAOYKV-UVTDQMKNSA-N -1 0 333.347 3.101 20 50 EGGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001574819749 957902625 /nfs/dbraw/zinc/90/26/25/957902625.db2.gz CXNFPZSPXVRLQC-HUUCEWRRSA-N -1 0 339.395 3.197 20 50 EGGDRM CC(C)C[C@@H](CNC(=O)NNc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588852757 961947745 /nfs/dbraw/zinc/94/77/45/961947745.db2.gz HDUCOZLCAZZEHS-VIFPVBQESA-N -1 0 348.230 3.366 20 50 EGGDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001573333192 962853508 /nfs/dbraw/zinc/85/35/08/962853508.db2.gz XTFIEUFUNWGZPI-AWEZNQCLSA-N -1 0 341.524 3.420 20 50 EGGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1ccccc1Cc1ccccc1 ZINC001603320495 972636984 /nfs/dbraw/zinc/63/69/84/972636984.db2.gz JOWHFCUZVRGZQD-FQEVSTJZSA-N -1 0 338.407 3.221 20 50 EGGDRM CC(C)c1cc(C(=O)NNc2cccc(C(=O)[O-])c2)nn1C(C)(C)C ZINC001591930596 976422022 /nfs/dbraw/zinc/42/20/22/976422022.db2.gz PWLMNAMOSFXQJO-UHFFFAOYSA-N -1 0 344.415 3.217 20 50 EGGDRM CC(C)(C)c1ccc(C(=O)NN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736297648 978318587 /nfs/dbraw/zinc/31/85/87/978318587.db2.gz ROUARYCFCSPFDS-INIZCTEOSA-N -1 0 344.386 3.184 20 50 EGGDRM CSCc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000738194545 978498411 /nfs/dbraw/zinc/49/84/11/978498411.db2.gz CFROTDAKAYUKOH-UHFFFAOYSA-N -1 0 347.348 3.375 20 50 EGGDRM Cc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC000738418096 978535549 /nfs/dbraw/zinc/53/55/49/978535549.db2.gz OCPDVHSBZSEAGK-YRNVUSSQSA-N -1 0 330.340 3.440 20 50 EGGDRM O=C([O-])C[C@H]1CSCCN1C(=O)CCCC[C@@H]1CCSS1 ZINC000739649105 978647137 /nfs/dbraw/zinc/64/71/37/978647137.db2.gz YFUURYNWAYYZPD-NWDGAFQWSA-N -1 0 349.543 3.119 20 50 EGGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000794703807 978817831 /nfs/dbraw/zinc/81/78/31/978817831.db2.gz WBRRIFXDXOUDQH-ZLYHGVDXSA-N -1 0 346.342 3.200 20 50 EGGDRM C[C@@H]1C(=NNC(=O)c2cc3ccccc3cc2O)CC[C@H]1CC(=O)[O-] ZINC000814694348 978873722 /nfs/dbraw/zinc/87/37/22/978873722.db2.gz GRDKLHHHRHTWCO-RYUDHWBXSA-N -1 0 340.379 3.152 20 50 EGGDRM C[C@H]1C(=NNC(=O)NCc2ccc(Cl)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814848451 978892390 /nfs/dbraw/zinc/89/23/90/978892390.db2.gz LJWAAOPJCZKNBK-ZYHUDNBSSA-N -1 0 337.807 3.016 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000833353228 979168646 /nfs/dbraw/zinc/16/86/46/979168646.db2.gz JBIZIKMYTUYZTQ-UHFFFAOYSA-N -1 0 339.662 3.305 20 50 EGGDRM CCC(CC)n1ccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)n1 ZINC001595122158 979501351 /nfs/dbraw/zinc/50/13/51/979501351.db2.gz RNKPSRSSOWCNDU-UHFFFAOYSA-N -1 0 330.388 3.008 20 50 EGGDRM C[C@@H](Cc1ccc(NC(=O)NNc2ncccc2Cl)cc1)C(=O)[O-] ZINC001592871393 979723996 /nfs/dbraw/zinc/72/39/96/979723996.db2.gz DSHPKWWPGNSTJR-JTQLQIEISA-N -1 0 348.790 3.147 20 50 EGGDRM Cc1c(NC(=O)[C@@H](Br)C(C)(C)C)cccc1C(=O)[O-] ZINC000908835095 981371892 /nfs/dbraw/zinc/37/18/92/981371892.db2.gz WJBNLIWUVJKTAI-LLVKDONJSA-N -1 0 328.206 3.441 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000909493711 981510180 /nfs/dbraw/zinc/51/01/80/981510180.db2.gz USBGOQGVQHYUME-QWRGUYRKSA-N -1 0 348.281 3.145 20 50 EGGDRM CCCC[C@H](CC)CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001595632357 981853419 /nfs/dbraw/zinc/85/34/19/981853419.db2.gz WTHWKNLETCNLOT-LBPRGKRZSA-N -1 0 341.477 3.186 20 50 EGGDRM CCCCc1ccc(CC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001595796511 982602669 /nfs/dbraw/zinc/60/26/69/982602669.db2.gz MWZJVTLMYBAQGF-UHFFFAOYSA-N -1 0 326.396 3.413 20 50 EGGDRM CC[C@H](C)Oc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001595000363 982912493 /nfs/dbraw/zinc/91/24/93/982912493.db2.gz VOZXHSCQCWRLBM-NSHDSACASA-N -1 0 346.358 3.458 20 50 EGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC2(CC(=O)[O-])CC2)c1C ZINC001596108619 983434999 /nfs/dbraw/zinc/43/49/99/983434999.db2.gz GGWYHWDWXOWGEV-CXUHLZMHSA-N -1 0 344.411 3.220 20 50 EGGDRM C=C[C@](C)(CC)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001588681878 983842269 /nfs/dbraw/zinc/84/22/69/983842269.db2.gz FUKNSPLIZUNKBK-CQSZACIVSA-N -1 0 341.205 3.193 20 50 EGGDRM C/C(=C\C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1cccc(F)c1 ZINC001588942257 984634099 /nfs/dbraw/zinc/63/40/99/984634099.db2.gz DGIYPZCGVLRJSK-JXMROGBWSA-N -1 0 332.306 3.210 20 50 EGGDRM C[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001589422395 986664963 /nfs/dbraw/zinc/66/49/63/986664963.db2.gz GFILDMOEFFMYBE-QMMMGPOBSA-N -1 0 338.285 3.049 20 50 EGGDRM CCOc1cccc(/C=C\C(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001597150611 986928231 /nfs/dbraw/zinc/92/82/31/986928231.db2.gz RAXGAIAPIUFKMG-TWGQIWQCSA-N -1 0 344.342 3.079 20 50 EGGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NNc2ccc(Cl)cn2)cc1 ZINC001589512435 987150225 /nfs/dbraw/zinc/15/02/25/987150225.db2.gz STUVYFBASZGTAV-SECBINFHSA-N -1 0 334.763 3.072 20 50 EGGDRM CCSc1ccccc1CC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001597279490 987342069 /nfs/dbraw/zinc/34/20/69/987342069.db2.gz JAMSIBVQIJTMNY-UHFFFAOYSA-N -1 0 344.436 3.491 20 50 EGGDRM CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001589574740 987348670 /nfs/dbraw/zinc/34/86/70/987348670.db2.gz IPNRXELZBHYCKN-UHFFFAOYSA-N -1 0 334.322 3.084 20 50 EGGDRM CCc1[nH]c(C(=O)NNc2ccc(Cl)c(C)c2)c(C)c1C(=O)[O-] ZINC001597385767 987598038 /nfs/dbraw/zinc/59/80/38/987598038.db2.gz QFFRNKBJXGQMQJ-UHFFFAOYSA-N -1 0 335.791 3.302 20 50 EGGDRM CCc1ccccc1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597609317 988494231 /nfs/dbraw/zinc/49/42/31/988494231.db2.gz MABGBQPZWAPTFG-UHFFFAOYSA-N -1 0 332.787 3.286 20 50 EGGDRM CSc1cccc(F)c1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001599824491 988574522 /nfs/dbraw/zinc/57/45/22/988574522.db2.gz YNMCBKUVSYWHGP-UHFFFAOYSA-N -1 0 334.372 3.311 20 50 EGGDRM CSc1ccccc1[C@@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599826618 988607233 /nfs/dbraw/zinc/60/72/33/988607233.db2.gz 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COc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001599541586 997852957 /nfs/dbraw/zinc/85/29/57/997852957.db2.gz PMDOOSCFABDIAT-NASPGAHYSA-N -1 0 341.319 3.198 20 50 EGGDRM N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC(CCC(=O)[O-])CC1 ZINC000833062181 601841940 /nfs/dbraw/zinc/84/19/40/601841940.db2.gz JSCYOCNGFWVNST-OMCISZLKSA-N -1 0 329.356 3.036 20 50 EGGDRM CC(=NNC(=O)c1ccc2ccccc2n1)c1ccc(C(=O)[O-])cc1 ZINC000825804650 604633111 /nfs/dbraw/zinc/63/31/11/604633111.db2.gz RBAPLVMDASHPEP-UHFFFAOYSA-N -1 0 333.347 3.087 20 50 EGGDRM CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000833636595 604647692 /nfs/dbraw/zinc/64/76/92/604647692.db2.gz XBSBQVPARWNFOK-CQSZACIVSA-N -1 0 328.368 3.030 20 50 EGGDRM CC(C)[C@H](CC1CCCCC1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833469082 604800113 /nfs/dbraw/zinc/80/01/13/604800113.db2.gz PLOYELRLKXNYPN-HNNXBMFYSA-N -1 0 333.432 3.466 20 50 EGGDRM COc1ccc2oc(C)c(C(=O)NNc3ccccc3C(=O)[O-])c2c1 ZINC000833734662 605282607 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ZINC000844152203 955647110 /nfs/dbraw/zinc/64/71/10/955647110.db2.gz PEMXJSOPSAOWEH-UHFFFAOYSA-N -1 0 337.590 3.345 20 50 EGGDRM COC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000143986451 958984095 /nfs/dbraw/zinc/98/40/95/958984095.db2.gz PWUKLJLUUMYMLL-MHWRWJLKSA-N -1 0 337.331 3.044 20 50 EGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001574317956 960799028 /nfs/dbraw/zinc/79/90/28/960799028.db2.gz CWSBUNQFIUTUOH-UHFFFAOYSA-N -1 0 349.730 3.012 20 50 EGGDRM CC(C)c1ccc(NNC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001588968879 962659142 /nfs/dbraw/zinc/65/91/42/962659142.db2.gz RNRULQAQVCWIOR-UHFFFAOYSA-N -1 0 327.384 3.335 20 50 EGGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC001606528516 974033996 /nfs/dbraw/zinc/03/39/96/974033996.db2.gz KQWCIHVJHAISQG-SJORKVTESA-N -1 0 347.374 3.180 20 50 EGGDRM CN(CCCC(=O)NN(Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000737426697 978406769 /nfs/dbraw/zinc/40/67/69/978406769.db2.gz JGECEHOZZSFRFE-UHFFFAOYSA-N -1 0 341.411 3.114 20 50 EGGDRM O=C([O-])[C@H]1CC12CCN(C(=O)CCCC[C@@H]1CCSS1)CC2 ZINC000739526796 978643559 /nfs/dbraw/zinc/64/35/59/978643559.db2.gz PTBVEZLKYBMAPW-CHWSQXEVSA-N -1 0 343.514 3.414 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000841770773 979307589 /nfs/dbraw/zinc/30/75/89/979307589.db2.gz PXROKLNXAZUHPD-GFCCVEGCSA-N -1 0 340.217 3.084 20 50 EGGDRM C[C@@H](Cc1ccccc1Cl)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592889825 979774561 /nfs/dbraw/zinc/77/45/61/979774561.db2.gz AXWMICMMONKUBE-LBPRGKRZSA-N -1 0 346.814 3.289 20 50 EGGDRM CCCOc1ccccc1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595969441 983190637 /nfs/dbraw/zinc/19/06/37/983190637.db2.gz MINKILHXIBGZQO-UHFFFAOYSA-N -1 0 347.346 3.461 20 50 EGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1C ZINC001596108780 983435715 /nfs/dbraw/zinc/43/57/15/983435715.db2.gz PBVSLXCPZZQQAP-RNIVLKNTSA-N -1 0 345.443 3.037 20 50 EGGDRM C=C(CCC(=O)[O-])C(=O)NNc1ccccc1Oc1ccccc1 ZINC001588630519 983744507 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CCc1cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)ccc1O ZINC001597431081 987771680 /nfs/dbraw/zinc/77/16/80/987771680.db2.gz HYSIRPKIVKUDPD-UHFFFAOYSA-N -1 0 334.759 3.063 20 50 EGGDRM CCc1cc(OCC(=O)NNc2cccc(C(=O)[O-])c2)ccc1Cl ZINC001597487213 987991468 /nfs/dbraw/zinc/99/14/68/987991468.db2.gz INOHSJITZVXRNF-UHFFFAOYSA-N -1 0 348.786 3.123 20 50 EGGDRM CSc1cc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC001599806796 988268442 /nfs/dbraw/zinc/26/84/42/988268442.db2.gz SUOTVLYSSLTRAO-UHFFFAOYSA-N -1 0 334.372 3.311 20 50 EGGDRM CC(C)(CC(=O)NNc1cccc(C(=O)[O-])c1F)CC(F)(F)F ZINC001590621571 990302239 /nfs/dbraw/zinc/30/22/39/990302239.db2.gz FJRCGOOTPQSRMN-UHFFFAOYSA-N -1 0 336.285 3.336 20 50 EGGDRM COc1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)[O-])co2)cc1Cl ZINC001599590961 993682683 /nfs/dbraw/zinc/68/26/83/993682683.db2.gz SBIUAQMWEXVDQE-RUDMXATFSA-N -1 0 346.726 3.185 20 50 EGGDRM COc1cc(NNC(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001599444836 997991357 /nfs/dbraw/zinc/99/13/57/997991357.db2.gz FCKMBJNXGQURMP-UHFFFAOYSA-N -1 0 335.747 3.195 20 50 EGGDRM C[C@@H]1CCc2c(C(=O)NNc3ccc(C(=O)[O-])c(F)c3)csc2C1 ZINC001594442183 999628621 /nfs/dbraw/zinc/62/86/21/999628621.db2.gz NVHBTIVQVOHHGK-SECBINFHSA-N -1 0 348.399 3.467 20 50 EGGDRM Cc1cc([C@H](C)OC(=O)/C(C#N)=C/c2ccc(O)cc2)oc1C(=O)[O-] ZINC000832873869 604596608 /nfs/dbraw/zinc/59/66/08/604596608.db2.gz IRFYNIUHRKXZHX-ZWSXMNCCSA-N -1 0 341.319 3.203 20 50 EGGDRM CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccc(C(=O)[O-])cc1 ZINC000825804823 604635650 /nfs/dbraw/zinc/63/56/50/604635650.db2.gz XICGPXVTQAFEHP-UHFFFAOYSA-N -1 0 328.393 3.089 20 50 EGGDRM CC(C)CCC(=O)NN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833480654 605064419 /nfs/dbraw/zinc/06/44/19/605064419.db2.gz LUGCIXORKZSDGG-ZDUSSCGKSA-N -1 0 333.215 3.176 20 50 EGGDRM C[C@H](OCc1ccccc1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833535328 605247142 /nfs/dbraw/zinc/24/71/42/605247142.db2.gz HHZJAFBKCVDTCF-NSHDSACASA-N -1 0 348.786 3.087 20 50 EGGDRM CC(C)C[C@@H](C)OCCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833474874 605249037 /nfs/dbraw/zinc/24/90/37/605249037.db2.gz AAMJWQSEVPRBMF-LLVKDONJSA-N -1 0 342.823 3.323 20 50 EGGDRM CC(C)(Oc1cccc(Cl)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833462835 605257508 /nfs/dbraw/zinc/25/75/08/605257508.db2.gz LYZAEGYUWAGTRI-UHFFFAOYSA-N -1 0 348.786 3.339 20 50 EGGDRM Cc1ccc(C[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000833748416 605508327 /nfs/dbraw/zinc/50/83/27/605508327.db2.gz LURICVRWDXJOQA-GFCCVEGCSA-N -1 0 343.335 3.386 20 50 EGGDRM Cc1ccc(C[C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)s1 ZINC000833748810 605744615 /nfs/dbraw/zinc/74/46/15/605744615.db2.gz UGUODRMFVZUGOU-SNVBAGLBSA-N -1 0 333.413 3.012 20 50 EGGDRM Cc1cccc2[nH]c(C(C#N)=Cc3ccc(-c4nn[n-]n4)cc3F)nc21 ZINC000822332730 1424988517 /nfs/dbraw/zinc/98/85/17/1424988517.db2.gz RSPGTDFSCSSSOK-QPEQYQDCSA-N -1 0 345.341 3.255 20 50 EGGDRM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=CC#N)c1ccc(F)cc1 ZINC000821612391 1425796587 /nfs/dbraw/zinc/79/65/87/1425796587.db2.gz TZEMAPJEPBCYCS-MFOYZWKCSA-N -1 0 334.358 3.002 20 50 EGGDRM N#CC(=Cc1cc2ccccc2o1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379728 1430225928 /nfs/dbraw/zinc/22/59/28/1430225928.db2.gz ZUFGRCVDQOBDIJ-XNTDXEJSSA-N -1 0 341.330 3.403 20 50 EGGDRM CCCCCC[C@H](CC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825271941 1446739306 /nfs/dbraw/zinc/73/93/06/1446739306.db2.gz RISFEEIRSLQUSQ-ZDUSSCGKSA-N -1 0 330.436 3.306 20 50 EGGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1cccc2ccsc21 ZINC001594782325 953644268 /nfs/dbraw/zinc/64/42/68/953644268.db2.gz YISWJQDYUVQIML-UHFFFAOYSA-N -1 0 328.353 3.143 20 50 EGGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1 ZINC001602970104 971966868 /nfs/dbraw/zinc/96/68/68/971966868.db2.gz LFFHBHBJGMNRDP-JTQLQIEISA-N -1 0 338.713 3.159 20 50 EGGDRM CCC(CC)(C(=O)[O-])C(=O)NN=C(c1ccccc1)c1ccccc1 ZINC001589475828 954957781 /nfs/dbraw/zinc/95/77/81/954957781.db2.gz MRMLYHNGIOPECD-UHFFFAOYSA-N -1 0 338.407 3.446 20 50 EGGDRM O=C([O-])C1CCC(NC(=O)NNc2cccc(Cl)c2Cl)CC1 ZINC000840992844 955577475 /nfs/dbraw/zinc/57/74/75/955577475.db2.gz PSUBXMGOHHAELM-UHFFFAOYSA-N -1 0 346.214 3.263 20 50 EGGDRM O=C([O-])c1ccc(/C=C\C(=O)NNc2ccc(Cl)cc2Cl)o1 ZINC001594672696 956629447 /nfs/dbraw/zinc/62/94/47/956629447.db2.gz QPZCTUKXQMEZPM-UTCJRWHESA-N -1 0 341.150 3.441 20 50 EGGDRM COc1cc(/C=C(/C#N)C(=O)[O-])ccc1OC(=O)c1ccc(F)cc1 ZINC000027907044 957164083 /nfs/dbraw/zinc/16/40/83/957164083.db2.gz PSYVLWLRZSLEEK-JYRVWZFOSA-N -1 0 341.294 3.045 20 50 EGGDRM CC(=O)N(c1nc(/C=C(\C#N)C(=O)[O-])cs1)c1cccc(Cl)c1 ZINC000036318579 957228996 /nfs/dbraw/zinc/22/89/96/957228996.db2.gz LKDRJDQWZNJRDC-BJMVGYQFSA-N -1 0 347.783 3.473 20 50 EGGDRM Cc1ccc(Cl)cc1NNC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001594366567 958494492 /nfs/dbraw/zinc/49/44/92/958494492.db2.gz PQIKWXABOKUSQG-NSHDSACASA-N -1 0 327.812 3.021 20 50 EGGDRM Cc1cccc(C(C)C)c1NC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001594390365 958706486 /nfs/dbraw/zinc/70/64/86/958706486.db2.gz NKCSKQKJDDDNAQ-UHFFFAOYSA-N -1 0 328.372 3.360 20 50 EGGDRM Cc1cc(NC(=O)NN=c2ccc3ccccc3[nH]2)ccc1C(=O)[O-] ZINC001574338517 960930578 /nfs/dbraw/zinc/93/05/78/960930578.db2.gz XTSAEORFBNGDDE-UHFFFAOYSA-N -1 0 336.351 3.390 20 50 EGGDRM Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000005730534 967492716 /nfs/dbraw/zinc/49/27/16/967492716.db2.gz WLNMTKOSGCMDHZ-MHWRWJLKSA-N -1 0 327.361 3.032 20 50 EGGDRM O=C([O-])C1(C(=O)NN=c2ccc3ccccc3[nH]2)CCCCCC1 ZINC001605936036 972878350 /nfs/dbraw/zinc/87/83/50/972878350.db2.gz YMAKZMOUSDTHGC-UHFFFAOYSA-N -1 0 327.384 3.103 20 50 EGGDRM CC(C)c1ccc(NNC(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC001591973847 976581651 /nfs/dbraw/zinc/58/16/51/976581651.db2.gz HHEBZKYHZUDOEE-UHFFFAOYSA-N -1 0 341.411 3.263 20 50 EGGDRM CC(CC(C)(C)CC(=O)[O-])=NNC(=O)c1ccc2ccccc2n1 ZINC001592444604 978103684 /nfs/dbraw/zinc/10/36/84/978103684.db2.gz OXOSVDVFLLEIPB-UHFFFAOYSA-N -1 0 327.384 3.232 20 50 EGGDRM C[C@H](CCc1ccc(F)cc1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592539671 978420020 /nfs/dbraw/zinc/42/00/20/978420020.db2.gz LMOBEVLWEPSLBY-LLVKDONJSA-N -1 0 348.349 3.375 20 50 EGGDRM C[C@@H](CCc1ccccc1)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592539925 978420724 /nfs/dbraw/zinc/42/07/24/978420724.db2.gz FLNNRXRKDLJMQV-LBPRGKRZSA-N -1 0 345.374 3.171 20 50 EGGDRM Cc1cccc([C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738691247 978588492 /nfs/dbraw/zinc/58/84/92/978588492.db2.gz NYRHIJWSLYYZRB-LLVKDONJSA-N -1 0 329.308 3.311 20 50 EGGDRM Cc1ccccc1C(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738756456 978600637 /nfs/dbraw/zinc/60/06/37/978600637.db2.gz ITDXKEFKKAEBJR-UHFFFAOYSA-N -1 0 343.335 3.485 20 50 EGGDRM O=C([O-])c1cc(OC(=O)CCCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000739235010 978622445 /nfs/dbraw/zinc/62/24/45/978622445.db2.gz DXCLWCQABYWGIF-UHFFFAOYSA-N -1 0 345.307 3.058 20 50 EGGDRM O=C([O-])c1cc(OC(=O)C2(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000740087323 978666886 /nfs/dbraw/zinc/66/68/86/978666886.db2.gz JRGWKJZMWCUCDT-UHFFFAOYSA-N -1 0 345.282 3.069 20 50 EGGDRM 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CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001593634046 953600047 /nfs/dbraw/zinc/60/00/47/953600047.db2.gz KKTALKNZRIVTBE-ZIAGYGMSSA-N -1 0 332.425 3.434 20 50 EGGDRM O=C([O-])c1cccnc1NNC(=O)c1cc2c(s1)CCCCCC2 ZINC001594781874 953638438 /nfs/dbraw/zinc/63/84/38/953638438.db2.gz VZVYWXJZAWYPPT-UHFFFAOYSA-N -1 0 345.424 3.257 20 50 EGGDRM O=C([O-])c1ccccc1-c1ccc(C=NNC(=O)c2ccccc2)o1 ZINC000250232450 961211035 /nfs/dbraw/zinc/21/10/35/961211035.db2.gz GEDUINBLZVUJNS-UHFFFAOYSA-N -1 0 334.331 3.409 20 50 EGGDRM O=C([O-])[C@@H](C(=O)NNc1ccccc1Oc1ccccc1)C1CC1 ZINC001574617535 962234805 /nfs/dbraw/zinc/23/48/05/962234805.db2.gz QPDIFIVLXRCLER-MRXNPFEDSA-N -1 0 326.352 3.033 20 50 EGGDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCC[C@@H]1CCSS1 ZINC000817872403 969183645 /nfs/dbraw/zinc/18/36/45/969183645.db2.gz YNXWIGGIBKVEIS-JHJVBQTASA-N -1 0 331.503 3.412 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000836725518 969213997 /nfs/dbraw/zinc/21/39/97/969213997.db2.gz 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ZINC000814717999 978875864 /nfs/dbraw/zinc/87/58/64/978875864.db2.gz FCTXJTAINHUNQG-GFCCVEGCSA-N -1 0 344.415 3.030 20 50 EGGDRM C[C@H]1C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CC[C@H]1CC(=O)[O-] ZINC000814728209 978877920 /nfs/dbraw/zinc/87/79/20/978877920.db2.gz OVQURIZONVOAFC-ODSJRVHRSA-N -1 0 332.444 3.196 20 50 EGGDRM C[C@H](Cc1ccc(NC(=O)NNc2ncccc2Cl)cc1)C(=O)[O-] ZINC001592871394 979724078 /nfs/dbraw/zinc/72/40/78/979724078.db2.gz DSHPKWWPGNSTJR-SNVBAGLBSA-N -1 0 348.790 3.147 20 50 EGGDRM CC[C@@H]1CCCC[C@@H]1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595440847 981078132 /nfs/dbraw/zinc/07/81/32/981078132.db2.gz LYCPKHWUQPGQQI-DGCLKSJQSA-N -1 0 337.395 3.366 20 50 EGGDRM CC[C@H]1CCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595441903 981081097 /nfs/dbraw/zinc/08/10/97/981081097.db2.gz VKTVTZPTVGNTIA-NWDGAFQWSA-N -1 0 337.395 3.366 20 50 EGGDRM CC[C@@H](C)CCCCC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001594959041 982703047 /nfs/dbraw/zinc/70/30/47/982703047.db2.gz JIARVWHIDPWEAA-GFCCVEGCSA-N -1 0 341.477 3.186 20 50 EGGDRM CCC[C@@H]1C[C@H]1C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001596007697 983262980 /nfs/dbraw/zinc/26/29/80/983262980.db2.gz JIJZUFCRTKSPGX-PSASIEDQSA-N -1 0 341.205 3.027 20 50 EGGDRM C=CCOc1cccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001588872765 984442172 /nfs/dbraw/zinc/44/21/72/984442172.db2.gz IKNLCGBPSDYTQC-UHFFFAOYSA-N -1 0 345.330 3.237 20 50 EGGDRM C/C(=C/C(=O)NNc1cccc(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001588942638 984637267 /nfs/dbraw/zinc/63/72/67/984637267.db2.gz ORAHZHANYJAVPT-KTKRTIGZSA-N -1 0 332.306 3.210 20 50 EGGDRM CCOc1ccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001597120357 986811102 /nfs/dbraw/zinc/81/11/02/986811102.db2.gz LIQUUVOPCNTVHX-UHFFFAOYSA-N -1 0 333.319 3.071 20 50 EGGDRM CCOc1cccc(CCC(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001597153823 986938980 /nfs/dbraw/zinc/93/89/80/986938980.db2.gz SATWFIFAZNDUDE-UHFFFAOYSA-N -1 0 342.395 3.168 20 50 EGGDRM CCC(=O)c1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001594721905 987207169 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COc1ccccc1[C@@H](C)CC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001599699172 991192632 /nfs/dbraw/zinc/19/26/32/991192632.db2.gz VKKFDALIHRHOHE-NSHDSACASA-N -1 0 346.358 3.169 20 50 EGGDRM CC(C)CC(C)(C)CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001591124677 991817569 /nfs/dbraw/zinc/81/75/69/991817569.db2.gz YAQHPYUUDZLZDV-UHFFFAOYSA-N -1 0 325.384 3.222 20 50 EGGDRM C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[C@H]1CC2CCC1CC2 ZINC001593101605 993736590 /nfs/dbraw/zinc/73/65/90/993736590.db2.gz IAPVOFSGBHMTIX-TVRADYJESA-N -1 0 349.406 3.365 20 50 EGGDRM COc1cc(NNC(=O)CC2(CC(=O)[O-])CCCC2)ccc1Cl ZINC001599444873 997992426 /nfs/dbraw/zinc/99/24/26/997992426.db2.gz HWXDZLVVYYGUFQ-UHFFFAOYSA-N -1 0 340.807 3.217 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc2sccc2s1 ZINC001599376228 998490945 /nfs/dbraw/zinc/49/09/45/998490945.db2.gz KBCYSURIAFNFAL-UHFFFAOYSA-N -1 0 348.405 3.427 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc2cc(F)ccc2o1 ZINC001599376761 998499675 /nfs/dbraw/zinc/49/96/75/998499675.db2.gz SKEDSHSIHHYAML-UHFFFAOYSA-N -1 0 344.298 3.036 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)/C=C/Sc1ccccc1 ZINC001599376944 998501915 /nfs/dbraw/zinc/50/19/15/998501915.db2.gz GMDVYJPQDZGDJA-MDZDMXLPSA-N -1 0 344.392 3.143 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@H](C)c1ccccc1 ZINC001599377412 998509538 /nfs/dbraw/zinc/50/95/38/998509538.db2.gz XTMNJOBVUSXOML-LBPRGKRZSA-N -1 0 328.368 3.030 20 50 EGGDRM Cn1cc(NC(=O)CCCC[C@H]2CCSS2)cc1C(=O)[O-] ZINC000833045348 601322038 /nfs/dbraw/zinc/32/20/38/601322038.db2.gz LWSCECXDMOCWFB-NSHDSACASA-N -1 0 328.459 3.376 20 50 EGGDRM CC(C)[C@H](CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC000833468563 604800035 /nfs/dbraw/zinc/80/00/35/604800035.db2.gz IBTSYTSSLZXOFY-HNNXBMFYSA-N -1 0 327.384 3.053 20 50 EGGDRM CC(C)(C)c1ccc(NNC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000833448745 605715382 /nfs/dbraw/zinc/71/53/82/605715382.db2.gz FJYHMUZAFZRAQI-UHFFFAOYSA-N -1 0 328.372 3.226 20 50 EGGDRM COc1ccc2oc(C(=O)NNc3ccccc3C(=O)[O-])c(C)c2c1 ZINC000833734967 605724854 /nfs/dbraw/zinc/72/48/54/605724854.db2.gz OGNWEXUJEUKMTB-UHFFFAOYSA-N -1 0 340.335 3.205 20 50 EGGDRM CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000833411506 605732355 /nfs/dbraw/zinc/73/23/55/605732355.db2.gz HFLMVUXEPUTMGU-UHFFFAOYSA-N -1 0 332.787 3.459 20 50 EGGDRM Cc1ccsc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822378592 1424985652 /nfs/dbraw/zinc/98/56/52/1424985652.db2.gz BUYIINMBWUBUSE-WUXMJOGZSA-N -1 0 339.355 3.166 20 50 EGGDRM N#CC(=CC=Cc1ccc(F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379161 1442048568 /nfs/dbraw/zinc/04/85/68/1442048568.db2.gz KQLLCIXFLCHMPH-PPFNYLEDSA-N -1 0 345.337 3.352 20 50 EGGDRM O=C([O-])c1cccnc1NNC(=O)c1cc2c(cccc2Cl)s1 ZINC001594781074 953629062 /nfs/dbraw/zinc/62/90/62/953629062.db2.gz FWUXNXGLRSMZGC-UHFFFAOYSA-N -1 0 347.783 3.405 20 50 EGGDRM C[C@@H]1CC[C@@](C)(C=CC(=O)NN=c2[nH]cccc2C(=O)[O-])C1(C)C ZINC001589324035 953886671 /nfs/dbraw/zinc/88/66/71/953886671.db2.gz QMKUVQPHBVGCFZ-AOSQPNEPSA-N -1 0 331.416 3.242 20 50 EGGDRM CC[C@@H](C)[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccccc1 ZINC001589455690 954818385 /nfs/dbraw/zinc/81/83/85/954818385.db2.gz OAQDVNVDQUOZBO-IUODEOHRSA-N -1 0 327.384 3.053 20 50 EGGDRM O=C([O-])C1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000814762169 955359371 /nfs/dbraw/zinc/35/93/71/955359371.db2.gz QIPTUHHNZKEIEE-UHFFFAOYSA-N -1 0 329.183 3.354 20 50 EGGDRM Cc1cccc(Cl)c1NNC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000818628331 955418878 /nfs/dbraw/zinc/41/88/78/955418878.db2.gz UCXFXHGVYNJUDF-NSHDSACASA-N -1 0 327.812 3.021 20 50 EGGDRM C[C@H](NC(=O)NNc1ccccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848595702 955769092 /nfs/dbraw/zinc/76/90/92/955769092.db2.gz IQRBTNUIEONFFK-GARJFASQSA-N -1 0 339.823 3.102 20 50 EGGDRM Cc1ccc(C(=O)NNc2ncccc2C(=O)[O-])c(Cl)c1Cl ZINC001594346906 958324936 /nfs/dbraw/zinc/32/49/36/958324936.db2.gz MNEOVVHFOYDZNU-UHFFFAOYSA-N -1 0 340.166 3.152 20 50 EGGDRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc(CCl)c2)c2ccccc21 ZINC001605745087 972396332 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3.460 20 50 EGGDRM C[C@@](CC(=O)[O-])(NC(=O)CCCC[C@H]1CCSS1)C1CC1 ZINC001592280232 977567402 /nfs/dbraw/zinc/56/74/02/977567402.db2.gz BQVLCGYTVPHQTK-WFASDCNBSA-N -1 0 331.503 3.460 20 50 EGGDRM C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592540827 978426281 /nfs/dbraw/zinc/42/62/81/978426281.db2.gz RHKOFYKZNJVQPT-LBPRGKRZSA-N -1 0 330.359 3.236 20 50 EGGDRM Cc1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000738589626 978569707 /nfs/dbraw/zinc/56/97/07/978569707.db2.gz PLVLKOUUZQHVQP-UHFFFAOYSA-N -1 0 329.308 3.140 20 50 EGGDRM Cc1cccc(COc2ccc(NC(=O)NNC(=O)[O-])c(C)c2)c1 ZINC000738716898 978595878 /nfs/dbraw/zinc/59/58/78/978595878.db2.gz GICXQYOWHXVLNZ-UHFFFAOYSA-N -1 0 329.356 3.187 20 50 EGGDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592883411 979760187 /nfs/dbraw/zinc/76/01/87/979760187.db2.gz QGAXQQYFMNAKDJ-NSHDSACASA-N -1 0 332.787 3.360 20 50 EGGDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001588771441 984139707 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CC(C)(C)[C@H](Br)C(=O)OCCc1ccccc1C(=O)[O-] ZINC001589700156 987789993 /nfs/dbraw/zinc/78/99/93/987789993.db2.gz VBOHTNBSZRIYQW-GFCCVEGCSA-N -1 0 343.217 3.280 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589700531 987791898 /nfs/dbraw/zinc/79/18/98/987791898.db2.gz YXVCCYWKSCLNRO-GHMZBOCLSA-N -1 0 347.180 3.304 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC001590451863 990016261 /nfs/dbraw/zinc/01/62/61/990016261.db2.gz UXUWBMUOHLWMKN-GFCCVEGCSA-N -1 0 337.496 3.165 20 50 EGGDRM CN(C(=O)[C@@H](Br)C(C)(C)C)C1(C(=O)[O-])CCCCC1 ZINC001597989554 990074745 /nfs/dbraw/zinc/07/47/45/990074745.db2.gz AMWLNDBCUCEXON-SNVBAGLBSA-N -1 0 334.254 3.042 20 50 EGGDRM COc1cccc2c(C(=O)NNc3ccc(C(=O)[O-])cc3F)coc21 ZINC001599689169 991038940 /nfs/dbraw/zinc/03/89/40/991038940.db2.gz DLYUIOLYAWFDAP-UHFFFAOYSA-N -1 0 344.298 3.036 20 50 EGGDRM COc1cccc(/C(C)=C\C(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001599654471 994556230 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CC(C)c1cccc(O[C@H](C)C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833538340 605737531 /nfs/dbraw/zinc/73/75/31/605737531.db2.gz CNRWVWHUXALTLX-CYBMUJFWSA-N -1 0 342.395 3.419 20 50 EGGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000833520893 605739265 /nfs/dbraw/zinc/73/92/65/605739265.db2.gz JXLPREQMOJPTIL-VIFPVBQESA-N -1 0 335.310 3.050 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000833422720 605775831 /nfs/dbraw/zinc/77/58/31/605775831.db2.gz HRGXTRQHIGEXFT-YPMHNXCESA-N -1 0 342.233 3.128 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000833424698 605781767 /nfs/dbraw/zinc/78/17/67/605781767.db2.gz VDONOQKMTOHBAP-LBPRGKRZSA-N -1 0 328.206 3.062 20 50 EGGDRM Cc1cccc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)c1C ZINC000822284562 1441506076 /nfs/dbraw/zinc/50/60/76/1441506076.db2.gz VCJBIGMHPNXJPM-WUXMJOGZSA-N -1 0 335.392 3.335 20 50 EGGDRM CCC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825029440 1442445455 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Cc1cccc2sc(=NNC(=O)c3coc(C=CC(=O)[O-])c3)[nH]c21 ZINC001605350160 973250756 /nfs/dbraw/zinc/25/07/56/973250756.db2.gz SGUSTQOQYJXZOB-AATRIKPKSA-N -1 0 343.364 3.052 20 50 EGGDRM CC[C@@H](CC(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccc(C)cc1 ZINC001603516005 973526968 /nfs/dbraw/zinc/52/69/68/973526968.db2.gz KKOPEVFHWSMOCK-ZDUSSCGKSA-N -1 0 327.384 3.115 20 50 EGGDRM CCCOc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1C ZINC001603680244 974071495 /nfs/dbraw/zinc/07/14/95/974071495.db2.gz DQDPZOJWTKWFHD-UHFFFAOYSA-N -1 0 344.371 3.026 20 50 EGGDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCCC[C@H]1CCSS1 ZINC001591703515 975553755 /nfs/dbraw/zinc/55/37/55/975553755.db2.gz DDSJDJKDXQZXHC-QWHCGFSZSA-N -1 0 349.518 3.037 20 50 EGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1C ZINC000737050137 978376472 /nfs/dbraw/zinc/37/64/72/978376472.db2.gz KIQLEHOSTJAABX-AAGJOFLKSA-N -1 0 345.443 3.037 20 50 EGGDRM C[C@H](Oc1ccc(C=NNC(=O)CCC2CCCCC2)cc1)C(=O)[O-] ZINC000794903069 978827220 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C#C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588373424 983338576 /nfs/dbraw/zinc/33/85/76/983338576.db2.gz GAFUIKPSFSXWMK-HNNXBMFYSA-N -1 0 343.770 3.039 20 50 EGGDRM C#CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC001588407501 983428371 /nfs/dbraw/zinc/42/83/71/983428371.db2.gz IXMBHPOOEWABOK-KRWDZBQOSA-N -1 0 337.379 3.084 20 50 EGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1C ZINC001596108779 983435690 /nfs/dbraw/zinc/43/56/90/983435690.db2.gz PBVSLXCPZZQQAP-KGZWWPETSA-N -1 0 345.443 3.037 20 50 EGGDRM C[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1cccc(Cl)c1 ZINC001589422372 986664668 /nfs/dbraw/zinc/66/46/68/986664668.db2.gz FNLDRXIKNCULEN-SECBINFHSA-N -1 0 336.750 3.424 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001589699527 987785839 /nfs/dbraw/zinc/78/58/39/987785839.db2.gz MDESCJYOZTWSEO-LLVKDONJSA-N -1 0 329.190 3.238 20 50 EGGDRM CSc1cccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001599824616 988576731 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CC(C)Cc1ccccc1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001591489793 992621337 /nfs/dbraw/zinc/62/13/37/992621337.db2.gz XQMRSGDBYXBOIA-UHFFFAOYSA-N -1 0 330.359 3.479 20 50 EGGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[C@]12C[C@H]1CCCC2 ZINC001593101393 993735122 /nfs/dbraw/zinc/73/51/22/993735122.db2.gz FKCLZBJMTWMKOH-RVPKQNPDSA-N -1 0 335.379 3.119 20 50 EGGDRM COc1cccc(/C=C(\C#N)C(=O)OCc2ccccc2C(=O)[O-])c1 ZINC001599664413 994706461 /nfs/dbraw/zinc/70/64/61/994706461.db2.gz LYOWTQHZOWOOAZ-OQLLNIDSSA-N -1 0 337.331 3.044 20 50 EGGDRM COc1cc(C)ccc1NC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001599393716 997086959 /nfs/dbraw/zinc/08/69/59/997086959.db2.gz UIKLPRBRLOCHKY-UHFFFAOYSA-N -1 0 329.356 3.159 20 50 EGGDRM COc1ccc(/C(C)=C/C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599505503 997204641 /nfs/dbraw/zinc/20/46/41/997204641.db2.gz QDDLNLMKTREVRO-PKNBQFBNSA-N -1 0 344.342 3.079 20 50 EGGDRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001594136669 998381704 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3.031 20 50 EGGDRM CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc(C(=O)[O-])cc1 ZINC000825804611 604632775 /nfs/dbraw/zinc/63/27/75/604632775.db2.gz OTRSVCIFDIZMSX-UHFFFAOYSA-N -1 0 348.358 3.398 20 50 EGGDRM CCCc1c(C(=O)NNc2ccc(F)cc2C)[nH]c(C)c1C(=O)[O-] ZINC000833652956 604937728 /nfs/dbraw/zinc/93/77/28/604937728.db2.gz JVVYEUAWUGQIHI-UHFFFAOYSA-N -1 0 333.363 3.178 20 50 EGGDRM CC(C)(C)c1ccc(NNC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000833448695 605630928 /nfs/dbraw/zinc/63/09/28/605630928.db2.gz DCQGIBFAKSGQSC-UHFFFAOYSA-N -1 0 348.428 3.216 20 50 EGGDRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccccc2C(=O)[O-])o1 ZINC000833605078 605722065 /nfs/dbraw/zinc/72/20/65/605722065.db2.gz NGAFDDNXYRBJNM-FZMZJTMJSA-N -1 0 328.368 3.177 20 50 EGGDRM CC(C)(C)O[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833446204 605732413 /nfs/dbraw/zinc/73/24/13/605732413.db2.gz QQZPQOLSOINSAS-MRXNPFEDSA-N -1 0 342.395 3.384 20 50 EGGDRM CC(C)(C)O[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833446202 605732642 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O=C([O-])C1CCC(=NNC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000738507177 955243907 /nfs/dbraw/zinc/24/39/07/955243907.db2.gz WZNKUYHCVPMVIA-UHFFFAOYSA-N -1 0 328.290 3.066 20 50 EGGDRM O=C([O-])C[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1 ZINC000769526824 955321855 /nfs/dbraw/zinc/32/18/55/955321855.db2.gz KRCRFPZRUQMOHR-OLZOCXBDSA-N -1 0 331.503 3.414 20 50 EGGDRM O=C([O-])CCCCCNC(=O)NNc1cccc(Cl)c1Cl ZINC000840992337 955575939 /nfs/dbraw/zinc/57/59/39/955575939.db2.gz YZRPXNCCYDKFIS-UHFFFAOYSA-N -1 0 334.203 3.265 20 50 EGGDRM CC(C)c1ccc(NNC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001573566507 959290063 /nfs/dbraw/zinc/29/00/63/959290063.db2.gz IMBOYZDMESHECZ-UHFFFAOYSA-N -1 0 327.384 3.335 20 50 EGGDRM O=C([O-])c1ccc(C=NNC(=O)Cc2cccc3ccccc32)cc1 ZINC000254378124 961320439 /nfs/dbraw/zinc/32/04/39/961320439.db2.gz CORMJBKJHMKRGH-UHFFFAOYSA-N -1 0 332.359 3.231 20 50 EGGDRM C[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C[C@H]1C(=O)[O-] ZINC000843334664 969238543 /nfs/dbraw/zinc/23/85/43/969238543.db2.gz 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ZINC000736625291 978345658 /nfs/dbraw/zinc/34/56/58/978345658.db2.gz FVVFCVHYJYPRED-LLVKDONJSA-N -1 0 329.308 3.077 20 50 EGGDRM O=C([O-])[C@H](NNC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000739453078 978636621 /nfs/dbraw/zinc/63/66/21/978636621.db2.gz CCSKOUSQRXDQJA-CYBMUJFWSA-N -1 0 339.178 3.054 20 50 EGGDRM Cc1occc1C(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794685311 978814821 /nfs/dbraw/zinc/81/48/21/978814821.db2.gz FMWGDGJUTOQTSC-OJLMPMFISA-N -1 0 325.320 3.230 20 50 EGGDRM C[C@@H]1C(=NNC(=O)c2cc3ccccc3cc2O)CC[C@@H]1CC(=O)[O-] ZINC000814694347 978873222 /nfs/dbraw/zinc/87/32/22/978873222.db2.gz GRDKLHHHRHTWCO-NWDGAFQWSA-N -1 0 340.379 3.152 20 50 EGGDRM O=C([O-])c1cccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000814762143 978882071 /nfs/dbraw/zinc/88/20/71/978882071.db2.gz PFIONLHJYWWHMX-UHFFFAOYSA-N -1 0 337.162 3.456 20 50 EGGDRM CCCCCc1nnc(NC(=O)NNc2cccc(C(=O)[O-])c2)s1 ZINC001595727742 982353736 /nfs/dbraw/zinc/35/37/36/982353736.db2.gz KFJPFCYBIBCHNH-UHFFFAOYSA-N -1 0 349.416 3.118 20 50 EGGDRM CCCCNC(=O)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001595759161 982464271 /nfs/dbraw/zinc/46/42/71/982464271.db2.gz KRLJUHHSSIRRPJ-UHFFFAOYSA-N -1 0 329.356 3.078 20 50 EGGDRM CCCc1cnc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)s1 ZINC001596082723 983402947 /nfs/dbraw/zinc/40/29/47/983402947.db2.gz YWBOCDWQEGPBAF-UHFFFAOYSA-N -1 0 338.364 3.082 20 50 EGGDRM CCN(CC)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001596288965 983708808 /nfs/dbraw/zinc/70/88/08/983708808.db2.gz ACLIDELEMAPBIW-UHFFFAOYSA-N -1 0 341.411 3.296 20 50 EGGDRM C[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1cn(C)c2ccccc12 ZINC001589422422 986665734 /nfs/dbraw/zinc/66/57/34/986665734.db2.gz GQZGLHINJDCFCF-GFCCVEGCSA-N -1 0 337.379 3.123 20 50 EGGDRM CCC(=O)c1cccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001594722215 987210159 /nfs/dbraw/zinc/21/01/59/987210159.db2.gz JAFGWKIIITUZCH-UHFFFAOYSA-N -1 0 345.330 3.265 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)OCCc1ccccc1C(=O)[O-] ZINC001589700157 987789939 /nfs/dbraw/zinc/78/99/39/987789939.db2.gz VBOHTNBSZRIYQW-LBPRGKRZSA-N -1 0 343.217 3.280 20 50 EGGDRM CC(C)(C)N(N=Cc1ccc(C(=O)[O-])cn1)C(=O)c1ccccc1 ZINC001589796567 988196625 /nfs/dbraw/zinc/19/66/25/988196625.db2.gz TXLBBHJZMJYTEX-UHFFFAOYSA-N -1 0 325.368 3.055 20 50 EGGDRM CSc1ccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599819255 988482661 /nfs/dbraw/zinc/48/26/61/988482661.db2.gz MLRTYWZXSFQGPG-UHFFFAOYSA-N -1 0 335.360 3.394 20 50 EGGDRM CSc1cccc(F)c1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599824163 988568015 /nfs/dbraw/zinc/56/80/15/988568015.db2.gz QHTXSLVDRIUPJC-UHFFFAOYSA-N -1 0 338.335 3.142 20 50 EGGDRM CCn1c(C(=O)NNc2cccc(C(=O)[O-])c2C)cc2ccccc21 ZINC001597840877 989538356 /nfs/dbraw/zinc/53/83/56/989538356.db2.gz VKGPGWUWKIZZSO-UHFFFAOYSA-N -1 0 337.379 3.425 20 50 EGGDRM CC(C)(C)Oc1cccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001590417044 989957819 /nfs/dbraw/zinc/95/78/19/989957819.db2.gz SRLZNJCGWZECNF-UHFFFAOYSA-N -1 0 346.358 3.458 20 50 EGGDRM CC1(C)CCC[C@@H](CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001593887741 996727270 /nfs/dbraw/zinc/72/72/70/996727270.db2.gz GIEXFGFFAAHYAY-LLVKDONJSA-N -1 0 337.395 3.366 20 50 EGGDRM COc1c(C)ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)c1C ZINC001599332699 997776106 /nfs/dbraw/zinc/77/61/06/997776106.db2.gz LFLYUAIMXJTJLO-UHFFFAOYSA-N -1 0 347.346 3.298 20 50 EGGDRM C[C@H]1C[C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2F)C[C@@H](C)C1 ZINC001594222219 998855828 /nfs/dbraw/zinc/85/58/28/998855828.db2.gz BOPPKOIRKXHWCK-GDNZZTSVSA-N -1 0 337.395 3.222 20 50 EGGDRM C[C@H]1CCCC[C@@H]1CCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594363574 999372566 /nfs/dbraw/zinc/37/25/66/999372566.db2.gz HLBAXSCWNBIKIG-NWDGAFQWSA-N -1 0 337.395 3.366 20 50 EGGDRM C/C(=C/COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)C(=O)[O-] ZINC000825746381 601407485 /nfs/dbraw/zinc/40/74/85/601407485.db2.gz HKEJRUPVGIKIPD-AJIVCSRZSA-N -1 0 344.411 3.242 20 50 EGGDRM C[C@@H](CC(=O)[O-])C(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000827303849 602064155 /nfs/dbraw/zinc/06/41/55/602064155.db2.gz JOVSNPSBUURDDY-YFKPBYRVSA-N -1 0 325.579 3.201 20 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CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001597652885 988701227 /nfs/dbraw/zinc/70/12/27/988701227.db2.gz VEACNMCLFCKBBZ-UHFFFAOYSA-N -1 0 341.411 3.151 20 50 EGGDRM COc1ccccc1CCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599708775 991334677 /nfs/dbraw/zinc/33/46/77/991334677.db2.gz OXBMOMMNYAVJLP-UHFFFAOYSA-N -1 0 348.786 3.123 20 50 EGGDRM CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(C(=O)[O-])nc1C#N ZINC001598498278 992393423 /nfs/dbraw/zinc/39/34/23/992393423.db2.gz SKKMTRTXTIKTNG-UHFFFAOYSA-N -1 0 335.480 3.109 20 50 EGGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CC2CCC1CC2 ZINC001593101897 993739117 /nfs/dbraw/zinc/73/91/17/993739117.db2.gz MWONVOOECQHPHW-OCLKLICZSA-N -1 0 331.416 3.226 20 50 EGGDRM COc1cccc([C@H](C)CC(=O)NNc2ccccc2C(=O)[O-])c1 ZINC001599654814 994561533 /nfs/dbraw/zinc/56/15/33/994561533.db2.gz CXCVRTXVNVNJBA-GFCCVEGCSA-N -1 0 328.368 3.030 20 50 EGGDRM COc1cccc([C@H](C)CC(=O)NNc2cccc(F)c2C(=O)[O-])c1 ZINC001599655161 994567141 /nfs/dbraw/zinc/56/71/41/994567141.db2.gz JSLFLLZRUOQHRQ-LLVKDONJSA-N -1 0 346.358 3.169 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593888242 996731087 /nfs/dbraw/zinc/73/10/87/996731087.db2.gz URSPTPYCTSACBQ-BMIGLBTASA-N -1 0 348.281 3.336 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(C2CCC2)cc1 ZINC001599376928 998502441 /nfs/dbraw/zinc/50/24/41/998502441.db2.gz WOHFYRKXOKEHKA-UHFFFAOYSA-N -1 0 340.379 3.418 20 50 EGGDRM C[C@H]1CCc2c(C(=O)NNc3cccc(F)c3C(=O)[O-])csc2C1 ZINC001594442121 999628632 /nfs/dbraw/zinc/62/86/32/999628632.db2.gz MZNNJPRAMZJUCR-VIFPVBQESA-N -1 0 348.399 3.467 20 50 EGGDRM O=C([O-])c1ccc(CCC(=O)NNc2ccc(Cl)c(F)c2)cc1 ZINC000833102662 601123006 /nfs/dbraw/zinc/12/30/06/601123006.db2.gz URGSGVPJRXTCAO-UHFFFAOYSA-N -1 0 336.750 3.253 20 50 EGGDRM C/C(=C/c1ccc(F)cc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000825798201 601447670 /nfs/dbraw/zinc/44/76/70/601447670.db2.gz CFIRFHLPIRDVMR-NTMALXAHSA-N -1 0 345.282 3.441 20 50 EGGDRM COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832272139 601998027 /nfs/dbraw/zinc/99/80/27/601998027.db2.gz CHFWNNAYKRLBLA-XYOKQWHBSA-N -1 0 343.360 3.105 20 50 EGGDRM COc1ccc(/C=C\C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833732881 605244290 /nfs/dbraw/zinc/24/42/90/605244290.db2.gz UOMQAJGQZVBKDS-WTKPLQERSA-N -1 0 346.770 3.203 20 50 EGGDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000833696832 605502164 /nfs/dbraw/zinc/50/21/64/605502164.db2.gz VRHPARKNTLJLPG-MHWRWJLKSA-N -1 0 338.338 3.089 20 50 EGGDRM CC1(C)Cc2cc(NC(=O)NNc3cccc(C(=O)[O-])c3)ccc2O1 ZINC000833561277 605713748 /nfs/dbraw/zinc/71/37/48/605713748.db2.gz YODCBQRCCBXJPK-UHFFFAOYSA-N -1 0 341.367 3.247 20 50 EGGDRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2cccc(C(=O)[O-])c2)o1 ZINC000833603698 605733340 /nfs/dbraw/zinc/73/33/40/605733340.db2.gz HEZUJYBXUWTCPP-NHYWBVRUSA-N -1 0 328.368 3.177 20 50 EGGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000833520156 605745730 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C[C@@](CNC(=O)NNc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589057206 955706981 /nfs/dbraw/zinc/70/69/81/955706981.db2.gz ZLFDXKQJUQPTMR-KRWDZBQOSA-N -1 0 347.802 3.009 20 50 EGGDRM Cc1ccc(Cl)cc1NNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594366986 958499004 /nfs/dbraw/zinc/49/90/04/958499004.db2.gz XHCZDAIHNXPNCG-UHFFFAOYSA-N -1 0 333.775 3.173 20 50 EGGDRM C=CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001573350596 962971342 /nfs/dbraw/zinc/97/13/42/962971342.db2.gz KIONTNLLEXRLIT-CQSZACIVSA-N -1 0 328.343 3.327 20 50 EGGDRM O=C([O-])[C@@H](C(=O)NNc1ccccc1C(F)(F)F)C1CCCC1 ZINC000852950235 969297878 /nfs/dbraw/zinc/29/78/78/969297878.db2.gz NXQDXLPYLZNSIN-GFCCVEGCSA-N -1 0 330.306 3.040 20 50 EGGDRM O=C([O-])C1(C(=O)NNc2cc(Cl)ccc2Cl)CCSCC1 ZINC001605935481 972874688 /nfs/dbraw/zinc/87/46/88/972874688.db2.gz KSQSAUREERZWTN-UHFFFAOYSA-N -1 0 349.239 3.035 20 50 EGGDRM CSSCCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000397732915 973016059 /nfs/dbraw/zinc/01/60/59/973016059.db2.gz QVYLGDZOKJHKAR-UHFFFAOYSA-N -1 0 328.459 3.182 20 50 EGGDRM CC(C)OC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001591671594 975430617 /nfs/dbraw/zinc/43/06/17/975430617.db2.gz BPQIPEGGJATCPO-WZUFQYTHSA-N -1 0 327.258 3.262 20 50 EGGDRM C[C@](CC(=O)[O-])(NC(=O)CCCC[C@H]1CCSS1)C1CC1 ZINC001592280231 977567516 /nfs/dbraw/zinc/56/75/16/977567516.db2.gz BQVLCGYTVPHQTK-SWLSCSKDSA-N -1 0 331.503 3.460 20 50 EGGDRM CC(C)=C[C@H]1[C@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1(C)C ZINC000736343901 978321876 /nfs/dbraw/zinc/32/18/76/978321876.db2.gz SCSSBSVWMJQETN-GXTWGEPZSA-N -1 0 333.340 3.437 20 50 EGGDRM Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000738581590 978567827 /nfs/dbraw/zinc/56/78/27/978567827.db2.gz BDEQXUFNMCYAPV-OVCLIPMQSA-N -1 0 339.322 3.483 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000740306561 978674512 /nfs/dbraw/zinc/67/45/12/978674512.db2.gz CPUMIBVEZWWESH-UHFFFAOYSA-N -1 0 327.292 3.001 20 50 EGGDRM Cc1occc1C(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794685233 978814792 /nfs/dbraw/zinc/81/47/92/978814792.db2.gz FMWGDGJUTOQTSC-CJAAZZPWSA-N -1 0 325.320 3.230 20 50 EGGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1)C(=O)[O-] ZINC000794686871 978815531 /nfs/dbraw/zinc/81/55/31/978815531.db2.gz PCFFERQUGNHLKY-WZMONFQBSA-N -1 0 343.379 3.321 20 50 EGGDRM Cc1cccc(C(C)C)c1NNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000840992863 979291383 /nfs/dbraw/zinc/29/13/83/979291383.db2.gz YTIPEFAARVNVBT-UHFFFAOYSA-N -1 0 333.432 3.388 20 50 EGGDRM CC[C@H](NC(=O)/C(C#N)=C\c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595231679 980105986 /nfs/dbraw/zinc/10/59/86/980105986.db2.gz SUWKNHLPOCMZHT-DZXKJOIRSA-N -1 0 338.363 3.461 20 50 EGGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001595253394 980231052 /nfs/dbraw/zinc/23/10/52/980231052.db2.gz YZKCJSBJRCKENQ-INIZCTEOSA-N -1 0 327.384 3.471 20 50 EGGDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001588770636 984135205 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CC[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001594737304 987280803 /nfs/dbraw/zinc/28/08/03/987280803.db2.gz SXBVBBVOENKJRI-MRXNPFEDSA-N -1 0 330.359 3.090 20 50 EGGDRM CCSc1ccccc1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001597279616 987343467 /nfs/dbraw/zinc/34/34/67/987343467.db2.gz MIMDFNOMOMIPOS-UHFFFAOYSA-N -1 0 330.409 3.183 20 50 EGGDRM CC(C)(C)c1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001590481621 990075238 /nfs/dbraw/zinc/07/52/38/990075238.db2.gz LBGKKIIXRFOKBO-UHFFFAOYSA-N -1 0 326.396 3.368 20 50 EGGDRM CC(C)(Cc1ccccc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001590821814 990659654 /nfs/dbraw/zinc/65/96/54/990659654.db2.gz CJDCRZLCIDAZIV-UHFFFAOYSA-N -1 0 330.359 3.236 20 50 EGGDRM CC(C)C[C@H](C)n1nccc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001591138961 991862269 /nfs/dbraw/zinc/86/22/69/991862269.db2.gz WTUMASHNRHUMGK-LBPRGKRZSA-N -1 0 345.403 3.337 20 50 EGGDRM COCCc1ccccc1NC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001599266062 998470699 /nfs/dbraw/zinc/47/06/99/998470699.db2.gz 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O=C([O-])Cc1cccc(NC(=O)NNc2c(F)cccc2Cl)c1 ZINC001606312294 973726552 /nfs/dbraw/zinc/72/65/52/973726552.db2.gz GKFPKGCGBTWWKD-UHFFFAOYSA-N -1 0 337.738 3.255 20 50 EGGDRM O=C([O-])c1ccc(/C=C/C(=O)NNc2cc(Cl)ccc2Cl)o1 ZINC001605660563 974062395 /nfs/dbraw/zinc/06/23/95/974062395.db2.gz WVAWJDCYZKVSIH-ZZXKWVIFSA-N -1 0 341.150 3.441 20 50 EGGDRM CC(C)Oc1ccccc1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591804601 976029930 /nfs/dbraw/zinc/02/99/30/976029930.db2.gz LROGAZWUHIKXLI-UHFFFAOYSA-N -1 0 347.346 3.460 20 50 EGGDRM CC(C)c1cccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001591983976 976605600 /nfs/dbraw/zinc/60/56/00/976605600.db2.gz WDIWVOOALJGSKB-UHFFFAOYSA-N -1 0 333.775 3.314 20 50 EGGDRM C[C@H](CC=NNC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001592470977 978227680 /nfs/dbraw/zinc/22/76/80/978227680.db2.gz OOKUZDQYKGGWDX-SNVBAGLBSA-N -1 0 334.372 3.381 20 50 EGGDRM C[C@H](Cc1cccc(F)c1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736625772 978345794 /nfs/dbraw/zinc/34/57/94/978345794.db2.gz 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Cc1cc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c(Cl)cc1F ZINC001594323362 958140836 /nfs/dbraw/zinc/14/08/36/958140836.db2.gz WTOPUJQDTFINMN-UHFFFAOYSA-N -1 0 338.726 3.029 20 50 EGGDRM O=C([O-])c1ccc(CNC(=O)NNc2ccc(F)cc2Cl)cc1 ZINC001605800506 972514102 /nfs/dbraw/zinc/51/41/02/972514102.db2.gz YRQNQJYPPSWBSU-UHFFFAOYSA-N -1 0 337.738 3.004 20 50 EGGDRM CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1 ZINC000006209788 967491867 /nfs/dbraw/zinc/49/18/67/967491867.db2.gz YNCWLJQWQJLWMD-RVDMUPIBSA-N -1 0 336.347 3.329 20 50 EGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(-c2cccs2)s1 ZINC001605820956 972551198 /nfs/dbraw/zinc/55/11/98/972551198.db2.gz NMFLFCBKJRKQDQ-UHFFFAOYSA-N -1 0 345.405 3.327 20 50 EGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2cc(Cl)nc(Cl)c2)c1 ZINC001605140916 972815242 /nfs/dbraw/zinc/81/52/42/972815242.db2.gz LECPZWZPAHQRGJ-UHFFFAOYSA-N -1 0 340.166 3.152 20 50 EGGDRM O=C([O-])[C@H]1CN(C(=O)c2cccc(CCl)c2)Cc2ccccc21 ZINC001606041459 973144328 /nfs/dbraw/zinc/14/43/28/973144328.db2.gz 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978670013 /nfs/dbraw/zinc/67/00/13/978670013.db2.gz XCQHDONJLWZZLA-UHFFFAOYSA-N -1 0 330.287 3.222 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2cnc3ccsc3c2)ccc1[N+](=O)[O-] ZINC000740306602 978674477 /nfs/dbraw/zinc/67/44/77/978674477.db2.gz FVLHYAQTTCQROH-UHFFFAOYSA-N -1 0 344.304 3.122 20 50 EGGDRM CC(=NNC(=O)c1cc(Cl)ccc1O)[C@H](C)CCCCC(=O)[O-] ZINC000814776539 978883907 /nfs/dbraw/zinc/88/39/07/978883907.db2.gz AGTYCRGYNGJUHX-SNVBAGLBSA-N -1 0 340.807 3.432 20 50 EGGDRM CC[C@H](C)n1nc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC001595024174 979125473 /nfs/dbraw/zinc/12/54/73/979125473.db2.gz PWZFQCJKVWXWRN-VIFPVBQESA-N -1 0 349.366 3.148 20 50 EGGDRM O=C([O-])c1ccccc1C=NNC(=O)Cc1cccc2ccccc21 ZINC000839423829 979273546 /nfs/dbraw/zinc/27/35/46/979273546.db2.gz ARIROBDMVCSYIY-UHFFFAOYSA-N -1 0 332.359 3.231 20 50 EGGDRM C[C@@H](Cn1ccc2ccccc21)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592918016 979899823 /nfs/dbraw/zinc/89/98/23/979899823.db2.gz COLLOWOJYFEURW-ZDUSSCGKSA-N -1 0 337.379 3.119 20 50 EGGDRM CC[C@H](Cc1cccc(C)c1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595211837 979995139 /nfs/dbraw/zinc/99/51/39/979995139.db2.gz WCNWSYVJJAIPFP-QGZVFWFLSA-N -1 0 340.423 3.334 20 50 EGGDRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595354859 980696275 /nfs/dbraw/zinc/69/62/75/980696275.db2.gz GWBYHTFEJFXCRZ-WQVCFCJDSA-N -1 0 334.416 3.202 20 50 EGGDRM CCCc1c(C(=O)NNc2c(C)cccc2F)[nH]c(C)c1C(=O)[O-] ZINC001596045853 983337169 /nfs/dbraw/zinc/33/71/69/983337169.db2.gz SNOQNPCLPXNWOA-UHFFFAOYSA-N -1 0 333.363 3.178 20 50 EGGDRM CCN(CC)c1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001596289016 983709085 /nfs/dbraw/zinc/70/90/85/983709085.db2.gz BHVVHRIKQRLEIU-UHFFFAOYSA-N -1 0 345.374 3.127 20 50 EGGDRM C=C[C@H](CC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001588690621 983875115 /nfs/dbraw/zinc/87/51/15/983875115.db2.gz FODWATJRAXYSPQ-GFCCVEGCSA-N -1 0 328.343 3.327 20 50 EGGDRM C=CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001588720768 983970033 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C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC001593101890 993739061 /nfs/dbraw/zinc/73/90/61/993739061.db2.gz MMZCXAKJKVLSBV-VXGBXAGGSA-N -1 0 345.374 3.342 20 50 EGGDRM COc1cc(C)c(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1C ZINC001599393461 997080667 /nfs/dbraw/zinc/08/06/67/997080667.db2.gz NMCHMFZYDZCBLU-UHFFFAOYSA-N -1 0 343.383 3.088 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001599377169 998505935 /nfs/dbraw/zinc/50/59/35/998505935.db2.gz MTZUKHQELUZWNH-LLVKDONJSA-N -1 0 346.358 3.169 20 50 EGGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3cc4ccccc4o3)c2c1 ZINC000833324937 601378557 /nfs/dbraw/zinc/37/85/57/601378557.db2.gz HTFHJJSLTSWFJD-UHFFFAOYSA-N -1 0 347.330 3.376 20 50 EGGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000830064467 601402654 /nfs/dbraw/zinc/40/26/54/601402654.db2.gz STBMAWRATIUBHO-XFXZXTDPSA-N -1 0 342.376 3.391 20 50 EGGDRM CC(C)=CCOc1cccc(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833462164 605283245 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Cc1cccc2sc(=NNC(=O)c3cccc(C(=O)[O-])c3)[nH]c21 ZINC001600561197 970827657 /nfs/dbraw/zinc/82/76/57/970827657.db2.gz GNTPWWJVLSXQHC-UHFFFAOYSA-N -1 0 327.365 3.060 20 50 EGGDRM CCC[C@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589630197 949525860 /nfs/dbraw/zinc/52/58/60/949525860.db2.gz BKCDCLKKGODSPU-ZDUSSCGKSA-N -1 0 347.802 3.460 20 50 EGGDRM O=C([O-])C[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1 ZINC000769526823 955322013 /nfs/dbraw/zinc/32/20/13/955322013.db2.gz KRCRFPZRUQMOHR-CHWSQXEVSA-N -1 0 331.503 3.414 20 50 EGGDRM CCC(CC)(CNC(=O)NNc1cccc(Cl)c1C)C(=O)[O-] ZINC000818626719 955415894 /nfs/dbraw/zinc/41/58/94/955415894.db2.gz HCXYAINMWNKNAZ-UHFFFAOYSA-N -1 0 327.812 3.166 20 50 EGGDRM Cc1ccc(NNC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000818627316 955418103 /nfs/dbraw/zinc/41/81/03/955418103.db2.gz IYPIXXZMJUYPAE-NSHDSACASA-N -1 0 327.812 3.021 20 50 EGGDRM O=C([O-])c1c(F)ccc(NC(=O)NCC(Cl)Cl)c1Cl ZINC001594735630 957067029 /nfs/dbraw/zinc/06/70/29/957067029.db2.gz 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ZINC001591922618 976396742 /nfs/dbraw/zinc/39/67/42/976396742.db2.gz AFVDPYPWZJZIMY-UHFFFAOYSA-N -1 0 349.778 3.100 20 50 EGGDRM CC(C)=C[C@@H]1[C@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1(C)C ZINC000736343906 978322040 /nfs/dbraw/zinc/32/20/40/978322040.db2.gz SCSSBSVWMJQETN-TZMCWYRMSA-N -1 0 333.340 3.437 20 50 EGGDRM CCOc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1C ZINC000737193076 978385692 /nfs/dbraw/zinc/38/56/92/978385692.db2.gz MFURQRJRMPOZKQ-UHFFFAOYSA-N -1 0 345.307 3.219 20 50 EGGDRM O=C([O-])c1cc(OC(=O)CCc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000739259751 978626003 /nfs/dbraw/zinc/62/60/03/978626003.db2.gz XWMMGAKLSZQDCF-UHFFFAOYSA-N -1 0 349.726 3.485 20 50 EGGDRM O=C([O-])C[C@H]1CSCCN1C(=O)CCCC[C@H]1CCSS1 ZINC000739649107 978647677 /nfs/dbraw/zinc/64/76/77/978647677.db2.gz YFUURYNWAYYZPD-RYUDHWBXSA-N -1 0 349.543 3.119 20 50 EGGDRM C[C@H]1C(=NNC(=O)c2cc3ccccc3cc2O)CC[C@@H]1CC(=O)[O-] ZINC000814694349 978873549 /nfs/dbraw/zinc/87/35/49/978873549.db2.gz GRDKLHHHRHTWCO-VXGBXAGGSA-N -1 0 340.379 3.152 20 50 EGGDRM CC(=NNC(=O)Cn1ccc2ccccc21)[C@H](C)CCCCC(=O)[O-] ZINC000814839736 978891680 /nfs/dbraw/zinc/89/16/80/978891680.db2.gz YZGPKOAYPMZSGO-CQSZACIVSA-N -1 0 343.427 3.415 20 50 EGGDRM CCC(CC)n1nc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC001595124884 979506148 /nfs/dbraw/zinc/50/61/48/979506148.db2.gz SZQSKHAGHLDNMT-UHFFFAOYSA-N -1 0 348.378 3.147 20 50 EGGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC001595252229 980216782 /nfs/dbraw/zinc/21/67/82/980216782.db2.gz IIBGDKBTTPCDMT-HNNXBMFYSA-N -1 0 349.337 3.440 20 50 EGGDRM CCC[C@H](C)CC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595570845 981476266 /nfs/dbraw/zinc/47/62/66/981476266.db2.gz JMKRBAQQRNHDPV-VIFPVBQESA-N -1 0 343.221 3.417 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000910040432 981739915 /nfs/dbraw/zinc/73/99/15/981739915.db2.gz FYDOOOSFWYRCPM-LBPRGKRZSA-N -1 0 340.217 3.037 20 50 EGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C(C)(C)CC(=O)[O-])c1C ZINC001596107938 983432626 /nfs/dbraw/zinc/43/26/26/983432626.db2.gz LJXHXSUGWYBRGS-YBEGLDIGSA-N -1 0 345.443 3.134 20 50 EGGDRM CCO/C=C(/C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001596862086 985640965 /nfs/dbraw/zinc/64/09/65/985640965.db2.gz MQOKYTVJZPAIAW-OBEJXRGXSA-N -1 0 344.411 3.060 20 50 EGGDRM Cc1[nH]c2ccccc2c1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599966654 985919230 /nfs/dbraw/zinc/91/92/30/985919230.db2.gz UDAGONAVWYBFOI-UHFFFAOYSA-N -1 0 327.315 3.071 20 50 EGGDRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597622275 988559579 /nfs/dbraw/zinc/55/95/79/988559579.db2.gz YAKOMWRFYAVAST-LSDHHAIUSA-N -1 0 342.370 3.333 20 50 EGGDRM CC(C)(C)SCCCC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001590429333 989980373 /nfs/dbraw/zinc/98/03/73/989980373.db2.gz AVAKSBOCOWQJKZ-UHFFFAOYSA-N -1 0 328.409 3.279 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC001590451826 990015626 /nfs/dbraw/zinc/01/56/26/990015626.db2.gz SUYJHHWDTNLADA-GFCCVEGCSA-N -1 0 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Cc1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)c1 ZINC000832929643 602397527 /nfs/dbraw/zinc/39/75/27/602397527.db2.gz ZRDWJKJYDVFHCI-UHFFFAOYSA-N -1 0 349.726 3.403 20 50 EGGDRM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=CC#N)c1ccc(F)cc1 ZINC000821608643 1430192258 /nfs/dbraw/zinc/19/22/58/1430192258.db2.gz ORSZNRRNKAPYHR-YVLHZVERSA-N -1 0 334.358 3.002 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)cn1 ZINC000238026021 961080209 /nfs/dbraw/zinc/08/02/09/961080209.db2.gz KQJKHEUBJFMVQQ-UHFFFAOYSA-N -1 0 347.374 3.131 20 50 EGGDRM O=C([O-])/C=C/c1cc(C(=O)NNc2cccc(C(F)(F)F)c2)co1 ZINC001606065139 973206754 /nfs/dbraw/zinc/20/67/54/973206754.db2.gz UVPUFXUOLYWWKJ-SNAWJCMRSA-N -1 0 340.257 3.153 20 50 EGGDRM N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)NCc1cccc(Cl)c1 ZINC000490664536 974255157 /nfs/dbraw/zinc/25/51/57/974255157.db2.gz RUOSRMLUEGCAIL-NVNXTCNLSA-N -1 0 340.766 3.262 20 50 EGGDRM C[C@H](CCC(C)(C)C)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592477647 978245769 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EGGDRM Cc1oc(C=NNC(=O)Nc2ccc(C)cc2Cl)cc1C(=O)[O-] ZINC000738626960 978576367 /nfs/dbraw/zinc/57/63/67/978576367.db2.gz FBJCHHVMMGLJGE-UHFFFAOYSA-N -1 0 335.747 3.404 20 50 EGGDRM O=C([O-])C1CCC(NC(=O)NNc2ccc(Cl)cc2Cl)CC1 ZINC000739455341 978641367 /nfs/dbraw/zinc/64/13/67/978641367.db2.gz YVYAFEVVABYLMG-UHFFFAOYSA-N -1 0 346.214 3.263 20 50 EGGDRM O=C([O-])c1cc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000740087446 978667214 /nfs/dbraw/zinc/66/72/14/978667214.db2.gz MQWJLWHGUYGACQ-CHWSQXEVSA-N -1 0 345.282 3.141 20 50 EGGDRM O=C([O-])c1cc(OC(=O)C2(c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000740088093 978667241 /nfs/dbraw/zinc/66/72/41/978667241.db2.gz QBMNWTNNCIUSKY-UHFFFAOYSA-N -1 0 345.282 3.069 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000740306983 978674431 /nfs/dbraw/zinc/67/44/31/978674431.db2.gz GCOIAKQGJXSFIB-UHFFFAOYSA-N -1 0 327.248 3.258 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2ccc3ncccc3c2)ccc1[N+](=O)[O-] ZINC000740307074 978674436 /nfs/dbraw/zinc/67/44/36/978674436.db2.gz IJBNCBPCOOTGIS-UHFFFAOYSA-N -1 0 338.275 3.060 20 50 EGGDRM CC(=NNC(=O)c1c(C)nc2ccccn21)[C@@H](C)CCCCC(=O)[O-] ZINC000814718000 978876008 /nfs/dbraw/zinc/87/60/08/978876008.db2.gz FCTXJTAINHUNQG-LBPRGKRZSA-N -1 0 344.415 3.030 20 50 EGGDRM CCC(CC)(CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)SC ZINC001595070383 979338489 /nfs/dbraw/zinc/33/84/89/979338489.db2.gz OASLBAMMCCEHCU-UHFFFAOYSA-N -1 0 343.424 3.072 20 50 EGGDRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595354858 980696186 /nfs/dbraw/zinc/69/61/86/980696186.db2.gz GWBYHTFEJFXCRZ-RCBQFDQVSA-N -1 0 334.416 3.202 20 50 EGGDRM CCCCC[C@@H](C)CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001595666245 982098704 /nfs/dbraw/zinc/09/87/04/982098704.db2.gz GOELVSRWCFALKK-GFCCVEGCSA-N -1 0 341.477 3.186 20 50 EGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(C)(C)C(=O)[O-])c1C ZINC001596108817 983436096 /nfs/dbraw/zinc/43/60/96/983436096.db2.gz QMTHVZWXNSHSGL-WJDWOHSUSA-N -1 0 345.443 3.039 20 50 EGGDRM CC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1Cl ZINC001589290696 986028777 /nfs/dbraw/zinc/02/87/77/986028777.db2.gz XMCPHAPJCCNAAV-UHFFFAOYSA-N -1 0 347.758 3.389 20 50 EGGDRM Cc1c2cc(F)ccc2oc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599982301 986181008 /nfs/dbraw/zinc/18/10/08/986181008.db2.gz OQFGCXFUKNKRMA-UHFFFAOYSA-N -1 0 328.299 3.335 20 50 EGGDRM C[C@H](C(=O)NNc1cc(C(=O)[O-])ccc1Br)C(C)(C)C ZINC001589423026 986673809 /nfs/dbraw/zinc/67/38/09/986673809.db2.gz KPTPGTJLZITLAV-MRVPVSSYSA-N -1 0 343.221 3.273 20 50 EGGDRM CCc1ccc(NNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC001597551289 988274111 /nfs/dbraw/zinc/27/41/11/988274111.db2.gz FCZQFODTWWKLRT-UHFFFAOYSA-N -1 0 337.379 3.045 20 50 EGGDRM C[C@@]1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@@H]1Br ZINC001593760442 996418824 /nfs/dbraw/zinc/41/88/24/996418824.db2.gz XHXPWOKASSVFLV-JOYOIKCWSA-N -1 0 332.581 3.150 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593888245 996731112 /nfs/dbraw/zinc/73/11/12/996731112.db2.gz URSPTPYCTSACBQ-ZUZCIYMTSA-N -1 0 348.281 3.336 20 50 EGGDRM COc1ccc([C@H](C)CC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001599507158 997230374 /nfs/dbraw/zinc/23/03/74/997230374.db2.gz SALGAROWKUNRMC-LLVKDONJSA-N -1 0 346.358 3.169 20 50 EGGDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCC(Cl)CC2)cc1 ZINC001599509844 997278943 /nfs/dbraw/zinc/27/89/43/997278943.db2.gz ITKIJZGAWBBLMW-SSDMNJCBSA-N -1 0 339.819 3.125 20 50 EGGDRM COc1ccc(/C=C(/C#N)C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001599541467 997850407 /nfs/dbraw/zinc/85/04/07/997850407.db2.gz OZEOAVJBHVJGCZ-CTXBLAANSA-N -1 0 331.368 3.035 20 50 EGGDRM C[C@@H]1CCC[C@H](CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)[C@H]1C ZINC001594345486 999307696 /nfs/dbraw/zinc/30/76/96/999307696.db2.gz DELVGUIRTMDSAZ-GRYCIOLGSA-N -1 0 337.395 3.222 20 50 EGGDRM O=C([O-])[C@@H](NNC(=O)c1cccc2ccccc21)c1ccc(F)cc1 ZINC000833149332 600753266 /nfs/dbraw/zinc/75/32/66/600753266.db2.gz NAMYYJRRUIWOCI-KRWDZBQOSA-N -1 0 338.338 3.039 20 50 EGGDRM O=C([O-])C1CCC(NC(=O)NNc2cc(Cl)ccc2Cl)CC1 ZINC000833148767 601774014 /nfs/dbraw/zinc/77/40/14/601774014.db2.gz RMVLGBNPBJRKRH-UHFFFAOYSA-N -1 0 346.214 3.263 20 50 EGGDRM Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832927916 601998169 /nfs/dbraw/zinc/99/81/69/601998169.db2.gz MNDDMARVIUTATO-MDWZMJQESA-N -1 0 327.361 3.405 20 50 EGGDRM Cc1c(NC(=O)NNc2ccc(F)c(F)c2F)cccc1C(=O)[O-] ZINC000833741627 604723416 /nfs/dbraw/zinc/72/34/16/604723416.db2.gz DOHKHQXNZHXIHR-UHFFFAOYSA-N -1 0 339.273 3.259 20 50 EGGDRM CC(C)(C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccc2ccccc2c1 ZINC000833411362 604806824 /nfs/dbraw/zinc/80/68/24/604806824.db2.gz DNGFGLBCIYRGPB-UHFFFAOYSA-N -1 0 349.390 3.354 20 50 EGGDRM COc1ccc(NNC(=O)c2cccc(NC(=O)[O-])c2)cc1Cl ZINC000833733249 605244256 /nfs/dbraw/zinc/24/42/56/605244256.db2.gz JOSRNFWMBSTQKB-UHFFFAOYSA-N -1 0 335.747 3.195 20 50 EGGDRM CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000833636149 605735284 /nfs/dbraw/zinc/73/52/84/605735284.db2.gz JKQZCCLLGBXMCN-MRXNPFEDSA-N -1 0 328.368 3.030 20 50 EGGDRM CCN(c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1)C(C)C ZINC000833654985 605738375 /nfs/dbraw/zinc/73/83/75/605738375.db2.gz QPUBIUWUMCXWSN-UHFFFAOYSA-N -1 0 341.411 3.376 20 50 EGGDRM CCc1ccc([C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833669450 605739674 /nfs/dbraw/zinc/73/96/74/605739674.db2.gz FLOQYXJZJVRZOK-GFCCVEGCSA-N -1 0 327.384 3.335 20 50 EGGDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H](Br)C(C)(C)C ZINC000833696949 605777038 /nfs/dbraw/zinc/77/70/38/605777038.db2.gz ZAYKLONLCBZRGO-GFCCVEGCSA-N -1 0 342.233 3.153 20 50 EGGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccccc21 ZINC000826446316 1441610457 /nfs/dbraw/zinc/61/04/57/1441610457.db2.gz HGWUBNPHLWGRBK-UHFFFAOYSA-N -1 0 345.366 3.169 20 50 EGGDRM CC(=NNC(=O)CCC1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948793 1446824685 /nfs/dbraw/zinc/82/46/85/1446824685.db2.gz YLRKEAWFBKCVDS-UHFFFAOYSA-N -1 0 346.460 3.129 20 50 EGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001594781125 953628807 /nfs/dbraw/zinc/62/88/07/953628807.db2.gz GYFCKECJWRAKJG-UHFFFAOYSA-N -1 0 345.358 3.108 20 50 EGGDRM C[C@H](NC(=O)[C@H](Br)C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848452920 955742878 /nfs/dbraw/zinc/74/28/78/955742878.db2.gz ZHAPKLYGZOPCQB-MMWGEVLESA-N -1 0 348.281 3.048 20 50 EGGDRM Cc1cc(NC(=O)NNc2c(F)cc(F)cc2F)ccc1C(=O)[O-] ZINC001594322810 958134734 /nfs/dbraw/zinc/13/47/34/958134734.db2.gz FOHQUPYIGPXNHV-UHFFFAOYSA-N -1 0 339.273 3.259 20 50 EGGDRM CSc1ccc(NNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001594193270 959176363 /nfs/dbraw/zinc/17/63/63/959176363.db2.gz BRDZIOKPTJRDJY-UHFFFAOYSA-N -1 0 331.397 3.184 20 50 EGGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNc1ccnc2cc(Cl)ccc21 ZINC001588633425 959630481 /nfs/dbraw/zinc/63/04/81/959630481.db2.gz IOCLJHBVFXDMFH-ZDUSSCGKSA-N -1 0 335.791 3.078 20 50 EGGDRM CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1 ZINC000044867263 967529770 /nfs/dbraw/zinc/52/97/70/967529770.db2.gz YNCWLJQWQJLWMD-PTNGSMBKSA-N -1 0 336.347 3.329 20 50 EGGDRM CCc1ccc(NNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000848591891 969268248 /nfs/dbraw/zinc/26/82/48/969268248.db2.gz POOMIRLTLCLUEM-BYCMXARLSA-N -1 0 333.432 3.011 20 50 EGGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1ccc(C(F)(F)F)cc1 ZINC001603311591 972605322 /nfs/dbraw/zinc/60/53/22/972605322.db2.gz BOKDZWXXZUGXIU-UHFFFAOYSA-N -1 0 344.333 3.286 20 50 EGGDRM O=C([O-])C1(C(=O)NNc2ccccc2C(F)(F)F)CCCCC1 ZINC001605935546 972875307 /nfs/dbraw/zinc/87/53/07/972875307.db2.gz NSCZEPMFISZTOL-UHFFFAOYSA-N -1 0 330.306 3.184 20 50 EGGDRM C[C@@H](CC(=O)[O-])CC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001592375840 977913649 /nfs/dbraw/zinc/91/36/49/977913649.db2.gz SXLYNZQDESBBCI-CHWSQXEVSA-N -1 0 329.513 3.110 20 50 EGGDRM CC(CCC(=O)[O-])=NNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC001592470105 978217906 /nfs/dbraw/zinc/21/79/06/978217906.db2.gz HGZKHEVVOPEMQA-UHFFFAOYSA-N -1 0 327.384 3.065 20 50 EGGDRM C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1F ZINC000736224536 978311544 /nfs/dbraw/zinc/31/15/44/978311544.db2.gz RKPKJMTUFZOUBU-VIFPVBQESA-N -1 0 333.271 3.141 20 50 EGGDRM C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592540826 978426229 /nfs/dbraw/zinc/42/62/29/978426229.db2.gz RHKOFYKZNJVQPT-GFCCVEGCSA-N -1 0 330.359 3.236 20 50 EGGDRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NNC(=O)[O-] ZINC000738464667 978543005 /nfs/dbraw/zinc/54/30/05/978543005.db2.gz IZRAVUSNHJTXRN-GFCCVEGCSA-N -1 0 329.356 3.439 20 50 EGGDRM Cc1cccc(C2(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)c1 ZINC000738687476 978588686 /nfs/dbraw/zinc/58/86/86/978588686.db2.gz MWBTXOKJFHFWCQ-UHFFFAOYSA-N -1 0 341.319 3.239 20 50 EGGDRM O=C([O-])C[C@@H]1CSCCN1C(=O)CCCC[C@@H]1CCSS1 ZINC000739649110 978647659 /nfs/dbraw/zinc/64/76/59/978647659.db2.gz YFUURYNWAYYZPD-VXGBXAGGSA-N -1 0 349.543 3.119 20 50 EGGDRM O=C([O-])NNC(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000740004061 978662532 /nfs/dbraw/zinc/66/25/32/978662532.db2.gz ZNGAMNGXWRMFNF-UHFFFAOYSA-N -1 0 335.747 3.223 20 50 EGGDRM CC(C)(C)c1ccc(OCC(=O)NN=C2CCC(C(=O)[O-])CC2)cc1 ZINC000814704433 978874309 /nfs/dbraw/zinc/87/43/09/978874309.db2.gz MIWOMDJYGGFGDS-UHFFFAOYSA-N -1 0 346.427 3.110 20 50 EGGDRM CC[C@H](C)n1nc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC001595023607 979117211 /nfs/dbraw/zinc/11/72/11/979117211.db2.gz JHMBRMLXTGUGSU-VIFPVBQESA-N -1 0 349.366 3.148 20 50 EGGDRM CC[C@H](C)n1ncc(C(=O)NNc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC001595023915 979120599 /nfs/dbraw/zinc/12/05/99/979120599.db2.gz NFRGNYFJSAJPGY-NSHDSACASA-N -1 0 342.399 3.187 20 50 EGGDRM C[C@H](Cc1ccc(NC(=O)NNc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC001592872339 979728475 /nfs/dbraw/zinc/72/84/75/979728475.db2.gz KBCYWOPQBBXESK-SNVBAGLBSA-N -1 0 349.337 3.377 20 50 EGGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1nc(C)cs1 ZINC001595253343 980230123 /nfs/dbraw/zinc/23/01/23/980230123.db2.gz XKDLCTMQQUTWLQ-LBPRGKRZSA-N -1 0 348.428 3.236 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000909581848 981547671 /nfs/dbraw/zinc/54/76/71/981547671.db2.gz PZOPGXJZXPQPOR-ZYHUDNBSSA-N -1 0 340.217 3.011 20 50 EGGDRM C/C(=C\c1ccc(C)cc1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001588996102 984931317 /nfs/dbraw/zinc/93/13/17/984931317.db2.gz ZPSSZNBKSPSOHO-FMIVXFBMSA-N -1 0 328.343 3.379 20 50 EGGDRM C[C@@H](C(=O)NNc1cc(C(=O)[O-])ccc1Br)C(C)(C)C ZINC001589423028 986673516 /nfs/dbraw/zinc/67/35/16/986673516.db2.gz KPTPGTJLZITLAV-QMMMGPOBSA-N -1 0 343.221 3.273 20 50 EGGDRM CCOc1ccc2cc(C(=O)NNc3ccccc3C(=O)[O-])[nH]c2c1 ZINC001597143884 986902099 /nfs/dbraw/zinc/90/20/99/986902099.db2.gz MVQOBHJIZMAUSZ-UHFFFAOYSA-N -1 0 339.351 3.022 20 50 EGGDRM CCOc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001597161947 986969974 /nfs/dbraw/zinc/96/99/74/986969974.db2.gz QJWQQFMZEYNNGP-UHFFFAOYSA-N -1 0 333.319 3.071 20 50 EGGDRM CCc1ccc(NNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001597551461 988274712 /nfs/dbraw/zinc/27/47/12/988274712.db2.gz HMRYIDGPXCUXDM-UHFFFAOYSA-N -1 0 334.763 3.144 20 50 EGGDRM CSc1ccc(C)c(C(=O)NNc2cccc(F)c2C(=O)[O-])c1 ZINC001599811304 988339603 /nfs/dbraw/zinc/33/96/03/988339603.db2.gz CIDQFIULEOQSNX-UHFFFAOYSA-N -1 0 334.372 3.311 20 50 EGGDRM CSc1cccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)c1C ZINC001599824530 988574212 /nfs/dbraw/zinc/57/42/12/988574212.db2.gz CHWYLTQFTXGJBM-UHFFFAOYSA-N -1 0 345.424 3.493 20 50 EGGDRM C[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001599840461 988818186 /nfs/dbraw/zinc/81/81/86/988818186.db2.gz YTHKOJDMBBCYOI-LLVKDONJSA-N -1 0 347.802 3.354 20 50 EGGDRM COc1ccccc1[C@H](C)CC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001599699171 991192531 /nfs/dbraw/zinc/19/25/31/991192531.db2.gz VKKFDALIHRHOHE-LLVKDONJSA-N -1 0 346.358 3.169 20 50 EGGDRM COc1cccc(CC(=O)NNc2ccc(C)c(C(=O)[O-])c2)c1Cl ZINC001599666056 994731263 /nfs/dbraw/zinc/73/12/63/994731263.db2.gz TWWZHQSYBMNZGN-UHFFFAOYSA-N -1 0 348.786 3.041 20 50 EGGDRM CC1(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCC(F)(F)CC1 ZINC001593755891 996405126 /nfs/dbraw/zinc/40/51/26/996405126.db2.gz ZIQGTTCTNAMMDN-UHFFFAOYSA-N -1 0 330.306 3.183 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001599376337 998493029 /nfs/dbraw/zinc/49/30/29/998493029.db2.gz QUFHITFSMUTUQT-VIKVFOODSA-N -1 0 332.400 3.053 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)Cc1cccc(C(C)C)c1 ZINC001599377309 998507379 /nfs/dbraw/zinc/50/73/79/998507379.db2.gz RTWDDUCGBMJSRP-UHFFFAOYSA-N -1 0 342.395 3.203 20 50 EGGDRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594217490 998838002 /nfs/dbraw/zinc/83/80/02/998838002.db2.gz SZNHRNAHJGPPBD-GXFFZTMASA-N -1 0 337.395 3.365 20 50 EGGDRM C[C@H]1C[C@H](CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C[C@@H](C)C1 ZINC001594223507 998861680 /nfs/dbraw/zinc/86/16/80/998861680.db2.gz WCFROMJYGWBCJL-GDNZZTSVSA-N -1 0 337.395 3.222 20 50 EGGDRM C[C@H]1CCCC[C@H]1CCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001594363076 999370390 /nfs/dbraw/zinc/37/03/90/999370390.db2.gz ANAGDPSYLDNHBU-RYUDHWBXSA-N -1 0 337.395 3.366 20 50 EGGDRM C[C@@H]1CCCC[C@H]1CCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001594363074 999370467 /nfs/dbraw/zinc/37/04/67/999370467.db2.gz ANAGDPSYLDNHBU-NEPJUHHUSA-N -1 0 337.395 3.366 20 50 EGGDRM O=C([O-])[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccn1 ZINC000833097248 600917090 /nfs/dbraw/zinc/91/70/90/600917090.db2.gz HOUMEXWWBHRNAQ-FZMZJTMJSA-N -1 0 340.470 3.038 20 50 EGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)OC/C=C(\C)C(=O)[O-])c1C ZINC000829446480 601412228 /nfs/dbraw/zinc/41/22/28/601412228.db2.gz ASTYFTUZJGUWFU-QEBZCZOFSA-N -1 0 344.411 3.386 20 50 EGGDRM N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000833062799 601445483 /nfs/dbraw/zinc/44/54/83/601445483.db2.gz FCXNYHNFIGMKAX-CLFYSBASSA-N -1 0 349.268 3.277 20 50 EGGDRM COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832540881 601460597 /nfs/dbraw/zinc/46/05/97/601460597.db2.gz VFXPYMDZOONIEO-JYVXZMADSA-N -1 0 341.319 3.198 20 50 EGGDRM O=C(CCCC[C@@H]1CCSS1)NCC1(C(=O)[O-])CCCC1 ZINC000833097689 601649285 /nfs/dbraw/zinc/64/92/85/601649285.db2.gz SYNDBTBEPHHZBK-GFCCVEGCSA-N -1 0 331.503 3.462 20 50 EGGDRM CC(C)CCC(=O)NN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000826840375 601973873 /nfs/dbraw/zinc/97/38/73/601973873.db2.gz MNGFWWRTCJJYPS-ZDUSSCGKSA-N -1 0 333.215 3.176 20 50 EGGDRM O=C([O-])[C@@H](NNC(=O)CC1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000833094600 601975017 /nfs/dbraw/zinc/97/50/17/601975017.db2.gz XDRTTZAJJPJCFR-AWEZNQCLSA-N -1 0 345.226 3.320 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)s1 ZINC000833311500 602272857 /nfs/dbraw/zinc/27/28/57/602272857.db2.gz VYLPBVRKLKBXCU-UHFFFAOYSA-N -1 0 346.286 3.102 20 50 EGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNc2cccc(C#N)c2)cc1 ZINC000833419744 604734435 /nfs/dbraw/zinc/73/44/35/604734435.db2.gz WIQYWPMRMLHDGL-UHFFFAOYSA-N -1 0 338.367 3.069 20 50 EGGDRM CC(C)(C)c1ccc(C=CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833448846 604800213 /nfs/dbraw/zinc/80/02/13/604800213.db2.gz ISLUYASVXYQMPF-WDZFZDKYSA-N -1 0 339.395 3.234 20 50 EGGDRM Cc1ccc(F)c(NNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000833749847 604940162 /nfs/dbraw/zinc/94/01/62/604940162.db2.gz XJWCAZUBMAOSGS-NSHDSACASA-N -1 0 348.399 3.456 20 50 EGGDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1 ZINC000833414867 604942414 /nfs/dbraw/zinc/94/24/14/604942414.db2.gz OXXCPRSGESMYJI-MEFZMRIGSA-N -1 0 343.383 3.282 20 50 EGGDRM CC(C)(C)c1ccccc1OCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833449686 605259856 /nfs/dbraw/zinc/25/98/56/605259856.db2.gz QUOIVTVPCZMFJY-UHFFFAOYSA-N -1 0 342.395 3.204 20 50 EGGDRM C[C@H](SCc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833542843 605735660 /nfs/dbraw/zinc/73/56/60/605735660.db2.gz KWQNOVLCUVFPPE-LBPRGKRZSA-N -1 0 330.409 3.150 20 50 EGGDRM C[C@@H]1CCc2c(C(=O)NNc3cccc(C(=O)[O-])c3)csc2C1 ZINC000833616877 605737680 /nfs/dbraw/zinc/73/76/80/605737680.db2.gz IZPIARWAEWWKRJ-SNVBAGLBSA-N -1 0 330.409 3.328 20 50 EGGDRM CCCCC[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821050661 1441533066 /nfs/dbraw/zinc/53/30/66/1441533066.db2.gz SSGXHTHAMLXCLF-LLVKDONJSA-N -1 0 349.439 3.028 20 50 EGGDRM Cc1cc(C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)ccc1[N+](=O)[O-] ZINC000826261827 1446225208 /nfs/dbraw/zinc/22/52/08/1446225208.db2.gz UHQMCFWEMZOBQS-VZUCSPMQSA-N -1 0 338.352 3.209 20 50 EGGDRM O=C([O-])CCCCNC(=O)NN(Cc1ccccc1)c1ccccc1 ZINC000840992741 955578048 /nfs/dbraw/zinc/57/80/48/955578048.db2.gz KCBMTJHQBJMPBD-UHFFFAOYSA-N -1 0 341.411 3.162 20 50 EGGDRM N#C/C(=C/c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103650489 958360084 /nfs/dbraw/zinc/36/00/84/958360084.db2.gz LLIDUTGPHCGJJX-DHDCSXOGSA-N -1 0 347.779 3.377 20 50 EGGDRM CC(C)c1ccc(/C=C/CC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001573566962 959293122 /nfs/dbraw/zinc/29/31/22/959293122.db2.gz OBIDKJNBGKTJOA-HWKANZROSA-N -1 0 339.395 3.450 20 50 EGGDRM CC(C)(C)C(=O)/C(C#N)=C\c1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001588628813 959602471 /nfs/dbraw/zinc/60/24/71/959602471.db2.gz VFRIPTJVAAALDT-RAXLEYEMSA-N -1 0 330.384 3.103 20 50 EGGDRM Cc1c(Cl)cccc1NNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594262065 959701529 /nfs/dbraw/zinc/70/15/29/959701529.db2.gz FNFKEZROXKHUPI-UHFFFAOYSA-N -1 0 333.775 3.173 20 50 EGGDRM CCCOc1cc(C)ccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001573860206 961166511 /nfs/dbraw/zinc/16/65/11/961166511.db2.gz KLCVLCCMXDEPTG-UHFFFAOYSA-N -1 0 344.371 3.026 20 50 EGGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1ccc(C2CCC2)cc1 ZINC001574579147 962097841 /nfs/dbraw/zinc/09/78/41/962097841.db2.gz WPMKHZIYLOSQCK-UHFFFAOYSA-N -1 0 326.356 3.196 20 50 EGGDRM CCC(CC)(CNC(=O)NNc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000818626791 969191489 /nfs/dbraw/zinc/19/14/89/969191489.db2.gz JMQLZWURSQSUIU-UHFFFAOYSA-N -1 0 347.337 3.223 20 50 EGGDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CCCC[C@@H]1CCSS1 ZINC001591703513 975553953 /nfs/dbraw/zinc/55/39/53/975553953.db2.gz DDSJDJKDXQZXHC-OLZOCXBDSA-N -1 0 349.518 3.037 20 50 EGGDRM CC[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000736859866 978363168 /nfs/dbraw/zinc/36/31/68/978363168.db2.gz KLACRQGUKRGLJX-ZDUSSCGKSA-N -1 0 329.308 3.392 20 50 EGGDRM CCCOc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000737034446 978374512 /nfs/dbraw/zinc/37/45/12/978374512.db2.gz KOIYLACGMJMIRH-UHFFFAOYSA-N -1 0 345.307 3.301 20 50 EGGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738381064 978531399 /nfs/dbraw/zinc/53/13/99/978531399.db2.gz CFJHTBTZJSYWKW-UHFFFAOYSA-N -1 0 336.779 3.081 20 50 EGGDRM O=C([O-])c1ccc(CCC(=O)NN=c2[nH]ccc3sccc32)cc1 ZINC000739256241 978624738 /nfs/dbraw/zinc/62/47/38/978624738.db2.gz ONLNCRRHPWTPEA-UHFFFAOYSA-N -1 0 341.392 3.070 20 50 EGGDRM Cc1cc(/C(C#N)=C\c2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000774560078 978746930 /nfs/dbraw/zinc/74/69/30/978746930.db2.gz VNHBVPBHBBKINR-DHDCSXOGSA-N -1 0 338.319 3.431 20 50 EGGDRM C[C@H](Oc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1)C(=O)[O-] ZINC000794685487 978814808 /nfs/dbraw/zinc/81/48/08/978814808.db2.gz HNSMNVRAEZKHCN-JMRXEAOASA-N -1 0 347.374 3.489 20 50 EGGDRM CC(=NNC(=O)Cn1ccc2ccccc21)[C@@H](C)CCCCC(=O)[O-] ZINC000814839735 978891536 /nfs/dbraw/zinc/89/15/36/978891536.db2.gz YZGPKOAYPMZSGO-AWEZNQCLSA-N -1 0 343.427 3.415 20 50 EGGDRM CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(C(=O)[O-])cc1 ZINC000825804583 978941739 /nfs/dbraw/zinc/94/17/39/978941739.db2.gz NAPHHBXTRXZILF-UHFFFAOYSA-N -1 0 335.363 3.031 20 50 EGGDRM CCCCC[C@H](C)CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001595666246 982098278 /nfs/dbraw/zinc/09/82/78/982098278.db2.gz GOELVSRWCFALKK-LBPRGKRZSA-N -1 0 341.477 3.186 20 50 EGGDRM CCCOc1cccc(CC(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001595968370 983182478 /nfs/dbraw/zinc/18/24/78/983182478.db2.gz CCZBNHQRQHOSAE-UHFFFAOYSA-N -1 0 342.395 3.168 20 50 EGGDRM C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(CC(=O)[O-])c1 ZINC001588885380 984466971 /nfs/dbraw/zinc/46/69/71/984466971.db2.gz JRDNJBNBLGDZTI-UHFFFAOYSA-N -1 0 341.319 3.170 20 50 EGGDRM CCOc1ccc(NNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001597125703 986831999 /nfs/dbraw/zinc/83/19/99/986831999.db2.gz BMDOVIAGBYAWKB-UHFFFAOYSA-N -1 0 329.356 3.241 20 50 EGGDRM CCOc1ccccc1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001597179573 987037250 /nfs/dbraw/zinc/03/72/50/987037250.db2.gz QCQFPEWOVNXACW-UHFFFAOYSA-N -1 0 333.319 3.071 20 50 EGGDRM CC[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001594737302 987279487 /nfs/dbraw/zinc/27/94/87/987279487.db2.gz SXBVBBVOENKJRI-INIZCTEOSA-N -1 0 330.359 3.090 20 50 EGGDRM CC[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001597286274 987367172 /nfs/dbraw/zinc/36/71/72/987367172.db2.gz UIXACCGYOYOABA-OAHLLOKOSA-N -1 0 331.347 3.301 20 50 EGGDRM CCc1oc(C(=O)[O-])cc1COC(=O)/C(C#N)=C\c1ccccc1 ZINC001597767661 989223718 /nfs/dbraw/zinc/22/37/18/989223718.db2.gz CFSMDWIGYAAQCS-JYRVWZFOSA-N -1 0 325.320 3.191 20 50 EGGDRM CC(C)(C)c1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1Cl ZINC001590481545 990074193 /nfs/dbraw/zinc/07/41/93/990074193.db2.gz HMPONSPBWDGUBD-UHFFFAOYSA-N -1 0 347.802 3.488 20 50 EGGDRM CC(C)(CC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001590621870 990304194 /nfs/dbraw/zinc/30/41/94/990304194.db2.gz QNVVTYGWUUCFCO-UHFFFAOYSA-N -1 0 344.386 3.264 20 50 EGGDRM COc1cccc(/C=C(/C#N)C(=O)OCc2ccccc2C(=O)[O-])c1 ZINC001599664412 994706796 /nfs/dbraw/zinc/70/67/96/994706796.db2.gz LYOWTQHZOWOOAZ-DHDCSXOGSA-N -1 0 337.331 3.044 20 50 EGGDRM COc1cc(C)cc(NC(=O)NNc2cccc(C(=O)[O-])c2C)c1C ZINC001599394580 997101457 /nfs/dbraw/zinc/10/14/57/997101457.db2.gz SLMJALJQLHCQAN-UHFFFAOYSA-N -1 0 343.383 3.467 20 50 EGGDRM COc1cc(NNC(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1Cl ZINC001599444997 997992811 /nfs/dbraw/zinc/99/28/11/997992811.db2.gz SRZUBSDJVXFOLF-UHFFFAOYSA-N -1 0 349.774 3.124 20 50 EGGDRM COc1cc(NNC(=O)Nc2cc(C(=O)[O-])cs2)ccc1Cl ZINC001599445045 997994716 /nfs/dbraw/zinc/99/47/16/997994716.db2.gz WOBYPIMZTMBKBU-UHFFFAOYSA-N -1 0 341.776 3.257 20 50 EGGDRM COc1ccc(Cl)c(NC(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001599577199 998464630 /nfs/dbraw/zinc/46/46/30/998464630.db2.gz XNRUODJHJKMMPC-UHFFFAOYSA-N -1 0 349.774 3.124 20 50 EGGDRM CO[C@H](C)c1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001599040949 999117423 /nfs/dbraw/zinc/11/74/23/999117423.db2.gz DXIFVJCWUSYWLB-LLVKDONJSA-N -1 0 329.356 3.241 20 50 EGGDRM C[C@H]1CCCC[C@H]1CCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594363575 999372631 /nfs/dbraw/zinc/37/26/31/999372631.db2.gz HLBAXSCWNBIKIG-RYUDHWBXSA-N -1 0 337.395 3.366 20 50 EGGDRM O=C([O-])[C@H](NNC(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000833148975 601971717 /nfs/dbraw/zinc/97/17/17/601971717.db2.gz BZSGBDYGVKIQMQ-CYBMUJFWSA-N -1 0 339.178 3.054 20 50 EGGDRM COc1cccc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832540578 602001088 /nfs/dbraw/zinc/00/10/88/602001088.db2.gz QNAFFSPVTMNPHO-KPKJPENVSA-N -1 0 343.360 3.105 20 50 EGGDRM CC(C)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000827117427 604551275 /nfs/dbraw/zinc/55/12/75/604551275.db2.gz DDJGRZFQGNEAQC-UHFFFAOYSA-N -1 0 330.296 3.031 20 50 EGGDRM C[C@H](c1ccccc1)[C@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833520159 605745740 /nfs/dbraw/zinc/74/57/40/605745740.db2.gz ADXLWINEIKTQKQ-STQMWFEESA-N -1 0 327.384 3.203 20 50 EGGDRM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1c[nH]c2ccccc21 ZINC000826379118 1424893461 /nfs/dbraw/zinc/89/34/61/1424893461.db2.gz JIFPHSHBKGEITF-LCYFTJDESA-N -1 0 340.346 3.138 20 50 EGGDRM CCCc1sc(C(=O)NNc2ncccc2C(=O)[O-])cc1CC ZINC001589693079 950138535 /nfs/dbraw/zinc/13/85/35/950138535.db2.gz CEEBAEYBCYZDLL-UHFFFAOYSA-N -1 0 333.413 3.113 20 50 EGGDRM O=C([O-])[C@@]1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CC=CCC1 ZINC001594865559 954316045 /nfs/dbraw/zinc/31/60/45/954316045.db2.gz XLHUKZNVDWHJRJ-AWEZNQCLSA-N -1 0 346.280 3.099 20 50 EGGDRM O=C([O-])CCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000814323245 955356519 /nfs/dbraw/zinc/35/65/19/955356519.db2.gz NIQOLZIXROTJAS-UHFFFAOYSA-N -1 0 325.579 3.345 20 50 EGGDRM Cc1oc2ccc(NC(=O)NNc3ncccc3C(=O)[O-])cc2c1C ZINC001594506244 955359093 /nfs/dbraw/zinc/35/90/93/955359093.db2.gz MOVGQSUXCHKKDA-UHFFFAOYSA-N -1 0 340.339 3.291 20 50 EGGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1ccc(Cl)c(F)c1 ZINC001589204929 956658359 /nfs/dbraw/zinc/65/83/59/956658359.db2.gz ANZNBOBZKBSATH-UHFFFAOYSA-N -1 0 328.771 3.059 20 50 EGGDRM COc1cc(OC)cc(Oc2ccc(/C=C(/C#N)C(=O)[O-])cc2)c1 ZINC000065224577 957639786 /nfs/dbraw/zinc/63/97/86/957639786.db2.gz XOROZLIMDZOYMO-QPEQYQDCSA-N -1 0 325.320 3.488 20 50 EGGDRM Cc1cc(NC(=O)[C@@H](Br)C(C)(C)C)ccc1C(=O)[O-] ZINC001594314608 958057854 /nfs/dbraw/zinc/05/78/54/958057854.db2.gz OBGALTXRECUEKF-LLVKDONJSA-N -1 0 328.206 3.441 20 50 EGGDRM Cc1cccc2sc(=NNC(=O)C=Cc3ccc(C(=O)[O-])o3)[nH]c21 ZINC001594413996 958981971 /nfs/dbraw/zinc/98/19/71/958981971.db2.gz QVTKENKAWINBAO-VURMDHGXSA-N -1 0 343.364 3.052 20 50 EGGDRM O=C([O-])Cc1ccccc1NC(=O)NNc1ccc(F)c(Cl)c1 ZINC001606320690 973738762 /nfs/dbraw/zinc/73/87/62/973738762.db2.gz VDJRWDXUZDFIDL-UHFFFAOYSA-N -1 0 337.738 3.255 20 50 EGGDRM CC(C)c1ccccc1OCC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001591998016 976644085 /nfs/dbraw/zinc/64/40/85/976644085.db2.gz KEAFSRYBMJDCNX-UHFFFAOYSA-N -1 0 346.358 3.169 20 50 EGGDRM CC(=NNC(=O)c1cccc2ncccc21)c1ccc(C(=O)[O-])cc1 ZINC000730146103 978296016 /nfs/dbraw/zinc/29/60/16/978296016.db2.gz FZKCQTOVESBOSJ-UHFFFAOYSA-N -1 0 333.347 3.087 20 50 EGGDRM C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736224867 978311324 /nfs/dbraw/zinc/31/13/24/978311324.db2.gz SZXNBQSSODOYFD-VIFPVBQESA-N -1 0 333.271 3.141 20 50 EGGDRM CS[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000738181712 978497635 /nfs/dbraw/zinc/49/76/35/978497635.db2.gz ODPUGQOVGSRLEH-AWEZNQCLSA-N -1 0 347.348 3.303 20 50 EGGDRM O=C([O-])[C@@H](NNC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000739453079 978636736 /nfs/dbraw/zinc/63/67/36/978636736.db2.gz CCSKOUSQRXDQJA-ZDUSSCGKSA-N -1 0 339.178 3.054 20 50 EGGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3cccc(Cl)c3)c2c1 ZINC000740189282 978671676 /nfs/dbraw/zinc/67/16/76/978671676.db2.gz IPOOPQMCEBMCGZ-UHFFFAOYSA-N -1 0 341.754 3.283 20 50 EGGDRM Cc1ccccc1NC(=O)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794894031 978826362 /nfs/dbraw/zinc/82/63/62/978826362.db2.gz AVLMJLUIONKRKX-ZDUSSCGKSA-N -1 0 341.367 3.003 20 50 EGGDRM C[C@@H]1C(=NNC(=O)Cc2ccc3ccccc3c2)CC[C@@H]1CC(=O)[O-] ZINC000814807982 978886704 /nfs/dbraw/zinc/88/67/04/978886704.db2.gz STKJNRDQQCASJR-XJKSGUPXSA-N -1 0 338.407 3.375 20 50 EGGDRM COc1ccc(NC(=O)NN=C(C)[C@@H](C)CCCCC(=O)[O-])cc1 ZINC000814999853 978900497 /nfs/dbraw/zinc/90/04/97/978900497.db2.gz PWKGBHFOEIHYJY-LBPRGKRZSA-N -1 0 335.404 3.474 20 50 EGGDRM C[C@@H](CC(=O)[O-])CC(=O)NN(Cc1ccccc1)c1ccccc1 ZINC000848876357 979481540 /nfs/dbraw/zinc/48/15/40/979481540.db2.gz MMOQJLRVZRDYRA-OAHLLOKOSA-N -1 0 326.396 3.225 20 50 EGGDRM CCC[C@H](Cc1ccccc1)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595594207 981560809 /nfs/dbraw/zinc/56/08/09/981560809.db2.gz NJWNRZNAYBIEJI-MRXNPFEDSA-N -1 0 341.411 3.422 20 50 EGGDRM CCCCOc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001595777400 982546376 /nfs/dbraw/zinc/54/63/76/982546376.db2.gz VBIKDZIQXYTQLW-UHFFFAOYSA-N -1 0 328.368 3.321 20 50 EGGDRM CCCOc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001595960331 983150631 /nfs/dbraw/zinc/15/06/31/983150631.db2.gz GNBMLDMSSRWJAS-UHFFFAOYSA-N -1 0 329.356 3.322 20 50 EGGDRM C=CCc1cc([N+](=O)[O-])ccc1OC(=O)Cc1ccccc1C(=O)[O-] ZINC001588885745 984469714 /nfs/dbraw/zinc/46/97/14/984469714.db2.gz UVODNMOPXOCTID-UHFFFAOYSA-N -1 0 341.319 3.170 20 50 EGGDRM C[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)c1cccc(Cl)c1 ZINC001589424675 986696276 /nfs/dbraw/zinc/69/62/76/986696276.db2.gz ZHTKENXGZJZQRR-SECBINFHSA-N -1 0 336.750 3.424 20 50 EGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1 ZINC001589638139 987559704 /nfs/dbraw/zinc/55/97/04/987559704.db2.gz XNDJQMZMRNIKOE-UHFFFAOYSA-N -1 0 338.367 3.069 20 50 EGGDRM CC(C)[C@H]1CCC[C@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001591082517 991599812 /nfs/dbraw/zinc/59/98/12/991599812.db2.gz UMKJDGBWJBLGAG-AAEUAGOBSA-N -1 0 337.395 3.365 20 50 EGGDRM CC(C)Cc1ccccc1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591489389 992620601 /nfs/dbraw/zinc/62/06/01/992620601.db2.gz QXZCQVODHFVKHB-UHFFFAOYSA-N -1 0 330.359 3.479 20 50 EGGDRM O=C([O-])[C@H](NNC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000833149295 601140340 /nfs/dbraw/zinc/14/03/40/601140340.db2.gz LUXDSGXGIBNNCC-MRXNPFEDSA-N -1 0 344.436 3.077 20 50 EGGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNc2cc(Cl)ccc2Cl)C1 ZINC000833184399 601758665 /nfs/dbraw/zinc/75/86/65/601758665.db2.gz QMXBMRXWSISLNK-DTWKUNHWSA-N -1 0 331.199 3.328 20 50 EGGDRM C[C@@H]1CCC[C@@H](OCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833608140 605246255 /nfs/dbraw/zinc/24/62/55/605246255.db2.gz MKTCIDPUYPQIDX-ZYHUDNBSSA-N -1 0 340.807 3.077 20 50 EGGDRM CC(C)c1cccc(O[C@H](C)C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833538699 605260606 /nfs/dbraw/zinc/26/06/06/605260606.db2.gz GPWJITJFZAYLGV-CYBMUJFWSA-N -1 0 342.395 3.419 20 50 EGGDRM CC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(C(=O)[O-])c2)c1C(C)C ZINC000833400499 605730084 /nfs/dbraw/zinc/73/00/84/605730084.db2.gz IYHGGKPVURGUQA-UHFFFAOYSA-N -1 0 343.383 3.104 20 50 EGGDRM CC(C)[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833466342 605734466 /nfs/dbraw/zinc/73/44/66/605734466.db2.gz XGYYNLYBTHIYTL-INIZCTEOSA-N -1 0 330.359 3.407 20 50 EGGDRM Cc1cc(OC(C)C)ccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001594327908 958188691 /nfs/dbraw/zinc/18/86/91/958188691.db2.gz DSOGQKXUEFNTPQ-UHFFFAOYSA-N -1 0 344.371 3.024 20 50 EGGDRM O=C([O-])c1cncc(NC(=O)CCCC[C@H]2CCSS2)c1 ZINC000902038872 969510724 /nfs/dbraw/zinc/51/07/24/969510724.db2.gz FIWRJVBVWINJBG-LBPRGKRZSA-N -1 0 326.443 3.432 20 50 EGGDRM O=C([O-])[C@@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)C1CCCC1 ZINC001605898427 972711980 /nfs/dbraw/zinc/71/19/80/972711980.db2.gz TXWIULVGAKNNQB-LLVKDONJSA-N -1 0 349.189 3.467 20 50 EGGDRM CC(C)c1ccc(SCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC001591974337 976586989 /nfs/dbraw/zinc/58/69/89/976586989.db2.gz SZDHJUGNUGNAKS-UHFFFAOYSA-N -1 0 345.424 3.139 20 50 EGGDRM CC(C)c1nccnc1NNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592039947 976764146 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3.196 20 50 EGGDRM C[C@@H]1C(=NNC(=O)Cc2cccc3ccccc32)CC[C@@H]1CC(=O)[O-] ZINC000814792108 978885615 /nfs/dbraw/zinc/88/56/15/978885615.db2.gz OSEQPUHDNWNOIK-DZGCQCFKSA-N -1 0 338.407 3.375 20 50 EGGDRM CCC(CC)(CC)CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595057882 979303986 /nfs/dbraw/zinc/30/39/86/979303986.db2.gz QITAXDZDJYCMEC-UHFFFAOYSA-N -1 0 325.384 3.366 20 50 EGGDRM C[C@@H](Cc1ccc(NC(=O)NNc2cc(F)ccc2F)cc1)C(=O)[O-] ZINC001592871336 979723127 /nfs/dbraw/zinc/72/31/27/979723127.db2.gz DFTGTSIYBPZGOF-JTQLQIEISA-N -1 0 349.337 3.377 20 50 EGGDRM C[C@@H](Cc1ccc(NC(=O)NNc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC001592873382 979735318 /nfs/dbraw/zinc/73/53/18/979735318.db2.gz TYVCLMJDUIFQFV-JTQLQIEISA-N -1 0 348.790 3.147 20 50 EGGDRM CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595356809 980715914 /nfs/dbraw/zinc/71/59/14/980715914.db2.gz NZNKNWMJKTUKIO-MRXNPFEDSA-N -1 0 346.358 3.133 20 50 EGGDRM CC[C@@H]1CCCC[C@H]1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595440849 981078112 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CC(C)(C(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001589574785 987349521 /nfs/dbraw/zinc/34/95/21/987349521.db2.gz LMSAERJYAMRMIE-UHFFFAOYSA-N -1 0 334.322 3.084 20 50 EGGDRM CC(C)(C)c1csc(C(=O)NNc2ccc(C(=O)[O-])cc2F)n1 ZINC001590533116 990145503 /nfs/dbraw/zinc/14/55/03/990145503.db2.gz PENDQCALYGMLLH-UHFFFAOYSA-N -1 0 337.376 3.035 20 50 EGGDRM CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cc(C(=O)[O-])co2)n1 ZINC001590536831 990149231 /nfs/dbraw/zinc/14/92/31/990149231.db2.gz ICYGYJJNHZQJSN-RUDMXATFSA-N -1 0 345.380 3.277 20 50 EGGDRM COc1ccccc1[C@H](C)CC(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001599699175 991192716 /nfs/dbraw/zinc/19/27/16/991192716.db2.gz VQYMWLHFQHOLPV-CYBMUJFWSA-N -1 0 342.395 3.339 20 50 EGGDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NNc1cccc(Cl)c1 ZINC001598300115 991241994 /nfs/dbraw/zinc/24/19/94/991241994.db2.gz DYAQMMCDZFRDEF-UHFFFAOYSA-N -1 0 348.790 3.253 20 50 EGGDRM C[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)[C@H]1CC2CCC1CC2 ZINC001593102263 993742912 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CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@](C)(CCC)C(=O)[O-])c1C ZINC001596108088 983432867 /nfs/dbraw/zinc/43/28/67/983432867.db2.gz PCONPLJISFYPMC-JVCXIRSZSA-N -1 0 345.443 3.182 20 50 EGGDRM C=CCOc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001588872898 984443249 /nfs/dbraw/zinc/44/32/49/984443249.db2.gz RTSHCCZVABWDEF-UHFFFAOYSA-N -1 0 341.367 3.407 20 50 EGGDRM C[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1F ZINC001589422405 986664731 /nfs/dbraw/zinc/66/47/31/986664731.db2.gz GMHWMXZWEMCIGW-QMMMGPOBSA-N -1 0 338.285 3.049 20 50 EGGDRM CSCCCCCCC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599797412 988120240 /nfs/dbraw/zinc/12/02/40/988120240.db2.gz JMKYMIAHIYUDTF-UHFFFAOYSA-N -1 0 328.409 3.281 20 50 EGGDRM CCc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)s1 ZINC001597530169 988181724 /nfs/dbraw/zinc/18/17/24/988181724.db2.gz KQJNMJAYOQPDHX-UHFFFAOYSA-N -1 0 333.413 3.143 20 50 EGGDRM CSc1cc(C(=O)NNc2cccc(C(=O)[O-])c2F)ccc1F ZINC001599807487 988279673 /nfs/dbraw/zinc/27/96/73/988279673.db2.gz PXGSUPKBOOJHTF-UHFFFAOYSA-N -1 0 338.335 3.142 20 50 EGGDRM CCc1oc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)cc1C(=O)[O-] ZINC001597791017 989318213 /nfs/dbraw/zinc/31/82/13/989318213.db2.gz HUNBIQDBJCNMTM-RIYZIHGNSA-N -1 0 338.363 3.072 20 50 EGGDRM CC(C)(C)SCCCC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001590429426 989981593 /nfs/dbraw/zinc/98/15/93/989981593.db2.gz IEBWSNSLBBQYNY-UHFFFAOYSA-N -1 0 328.409 3.279 20 50 EGGDRM CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001590994251 991218848 /nfs/dbraw/zinc/21/88/48/991218848.db2.gz YJRLBTOWHXOWIG-MRXNPFEDSA-N -1 0 326.396 3.343 20 50 EGGDRM COc1ccccc1NNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001599715000 991438292 /nfs/dbraw/zinc/43/82/92/991438292.db2.gz AEHNBLCWVMDGGK-UHFFFAOYSA-N -1 0 347.396 3.264 20 50 EGGDRM CC(C)[C@H]1CCC[C@@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001591082519 991599205 /nfs/dbraw/zinc/59/92/05/991599205.db2.gz UMKJDGBWJBLGAG-WCQYABFASA-N -1 0 337.395 3.365 20 50 EGGDRM C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)C1CCC(F)CC1 ZINC001593101366 993735307 /nfs/dbraw/zinc/73/53/07/993735307.db2.gz DKFUGRRMPPFGBG-GRZMOONWSA-N -1 0 341.358 3.067 20 50 EGGDRM COc1cccc(C(C)(C)C(=O)NNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599649092 994468234 /nfs/dbraw/zinc/46/82/34/994468234.db2.gz IEVYGVUOMFCSQF-UHFFFAOYSA-N -1 0 342.395 3.123 20 50 EGGDRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCCC[C@H]2CCSS2)C1 ZINC001593766820 996448199 /nfs/dbraw/zinc/44/81/99/996448199.db2.gz XXSNYKMIIVUGLQ-WFASDCNBSA-N -1 0 331.503 3.414 20 50 EGGDRM CC1(C)CCc2sc(NC(=O)NNc3cccc(C(=O)[O-])c3)nc21 ZINC001593924615 996853050 /nfs/dbraw/zinc/85/30/50/996853050.db2.gz QEVNBYCSRQSIRT-UHFFFAOYSA-N -1 0 346.412 3.214 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccccc1C(C)(C)C ZINC001599376490 998494921 /nfs/dbraw/zinc/49/49/21/998494921.db2.gz NFSHNHIWWPVGSY-UHFFFAOYSA-N -1 0 342.395 3.448 20 50 EGGDRM CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])[nH]1 ZINC000830265681 601330130 /nfs/dbraw/zinc/33/01/30/601330130.db2.gz JSFGONOGOWOHIM-UVTDQMKNSA-N -1 0 337.379 3.383 20 50 EGGDRM O=C([O-])[C@@H](NNC(=O)c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000833149575 601381052 /nfs/dbraw/zinc/38/10/52/601381052.db2.gz UQXTWKOBEJPRQI-HNNXBMFYSA-N -1 0 344.754 3.147 20 50 EGGDRM Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832928438 601707822 /nfs/dbraw/zinc/70/78/22/601707822.db2.gz RMSYUHFTRGLBNN-NVNXTCNLSA-N -1 0 339.322 3.483 20 50 EGGDRM Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832927915 601998340 /nfs/dbraw/zinc/99/83/40/601998340.db2.gz MNDDMARVIUTATO-JYRVWZFOSA-N -1 0 327.361 3.405 20 50 EGGDRM CCC(CC)n1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000828870709 604658164 /nfs/dbraw/zinc/65/81/64/604658164.db2.gz VEAGGOLGDGSZGQ-UHFFFAOYSA-N -1 0 347.327 3.070 20 50 EGGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1ccc(Cl)cc1Cl ZINC000833478564 604934720 /nfs/dbraw/zinc/93/47/20/604934720.db2.gz GDWIPRVNSDPYNV-NSHDSACASA-N -1 0 334.203 3.119 20 50 EGGDRM CCc1[nH]c(C(=O)NNc2cccc(Cl)c2C)c(C)c1C(=O)[O-] ZINC000833666811 604937716 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CC(C)(C)c1ccc(NNC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000833449749 605739211 /nfs/dbraw/zinc/73/92/11/605739211.db2.gz ZQLJSFJHIZTUFA-UHFFFAOYSA-N -1 0 342.395 3.204 20 50 EGGDRM Cc1ccsc1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822379928 1424852098 /nfs/dbraw/zinc/85/20/98/1424852098.db2.gz WBCCTDLENBQWSU-RUDMXATFSA-N -1 0 327.394 3.088 20 50 EGGDRM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1c[nH]c2ccccc21 ZINC000822795721 1427304705 /nfs/dbraw/zinc/30/47/05/1427304705.db2.gz GGHJEYICVGXMHA-BJMVGYQFSA-N -1 0 346.375 3.199 20 50 EGGDRM O=C([O-])Cc1ccccc1NC(=O)NNc1cc(Cl)ccc1F ZINC001595136564 952057403 /nfs/dbraw/zinc/05/74/03/952057403.db2.gz NXCVDZDHQIOZAT-UHFFFAOYSA-N -1 0 337.738 3.255 20 50 EGGDRM CC(C)(C)[Si](C)(C)OCc1csc(CN2CC(C(=O)[O-])C2)n1 ZINC001602921421 971878603 /nfs/dbraw/zinc/87/86/03/971878603.db2.gz OFKGJUKCYXCTSQ-UHFFFAOYSA-N -1 0 342.537 3.181 20 50 EGGDRM O=C([O-])/C=C/c1cc(C(=O)NNc2cc(Cl)ccc2Cl)co1 ZINC001594968230 955077379 /nfs/dbraw/zinc/07/73/79/955077379.db2.gz LPECHRWOTRLPMJ-DUXPYHPUSA-N -1 0 341.150 3.441 20 50 EGGDRM Cc1cc(/C=C(/C#N)C(=O)NCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000740082642 955256861 /nfs/dbraw/zinc/25/68/61/955256861.db2.gz YZKVSQRCCNURKC-WJDWOHSUSA-N -1 0 343.427 3.108 20 50 EGGDRM O=C([O-])c1cc(NC(=O)CCCC[C@H]2CCSS2)ccn1 ZINC001594679414 956690627 /nfs/dbraw/zinc/69/06/27/956690627.db2.gz GJSBFFVWRCDXHE-NSHDSACASA-N -1 0 326.443 3.432 20 50 EGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2cccc(C(F)(F)F)c2)c1 ZINC001594288213 957794279 /nfs/dbraw/zinc/79/42/79/957794279.db2.gz DSECHZOXBVDANN-UHFFFAOYSA-N -1 0 338.285 3.469 20 50 EGGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NN=c1[nH]c2ccc(Cl)cc2s1 ZINC001588634693 959641325 /nfs/dbraw/zinc/64/13/25/959641325.db2.gz SEWHFJDTYWWSGK-JTQLQIEISA-N -1 0 341.820 3.140 20 50 EGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001574579083 962096186 /nfs/dbraw/zinc/09/61/86/962096186.db2.gz TXLNJJHCGMJSAJ-UHFFFAOYSA-N -1 0 333.347 3.204 20 50 EGGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1cccc(F)c1Cl ZINC001603313354 972613296 /nfs/dbraw/zinc/61/32/96/972613296.db2.gz ZDRDRIVIQKIKAJ-UHFFFAOYSA-N -1 0 328.771 3.059 20 50 EGGDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NNc1ccccc1F ZINC001591769657 975894400 /nfs/dbraw/zinc/89/44/00/975894400.db2.gz UGUDZIUTFUJXGE-UHFFFAOYSA-N -1 0 347.346 3.460 20 50 EGGDRM C[C@@H](CCc1ccccc1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592539820 978419945 /nfs/dbraw/zinc/41/99/45/978419945.db2.gz AMBLFNKSSLDYDR-LBPRGKRZSA-N -1 0 345.374 3.171 20 50 EGGDRM Cc1ccccc1CCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738771188 978601247 /nfs/dbraw/zinc/60/12/47/978601247.db2.gz OPYDHDBVYVVHJW-UHFFFAOYSA-N -1 0 329.308 3.140 20 50 EGGDRM O=C([O-])[C@@H](NNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000739453076 978636658 /nfs/dbraw/zinc/63/66/58/978636658.db2.gz CAZVQIRQXPXWLA-KRWDZBQOSA-N -1 0 338.338 3.039 20 50 EGGDRM CCC(CC)n1nccc1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595126019 979514371 /nfs/dbraw/zinc/51/43/71/979514371.db2.gz GQLZDUOKWAXWFH-UHFFFAOYSA-N -1 0 330.388 3.008 20 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O=C([O-])[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccn1 ZINC000833097250 600917112 /nfs/dbraw/zinc/91/71/12/600917112.db2.gz HOUMEXWWBHRNAQ-SMDDNHRTSA-N -1 0 340.470 3.038 20 50 EGGDRM O=C([O-])c1cc(OC(=O)C/C=C/c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000833096325 601448090 /nfs/dbraw/zinc/44/80/90/601448090.db2.gz KTTAQMKSZGKHFQ-DUXPYHPUSA-N -1 0 345.282 3.441 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000833353895 601816093 /nfs/dbraw/zinc/81/60/93/601816093.db2.gz XKDIAZSCCDDBQV-UHFFFAOYSA-N -1 0 339.662 3.305 20 50 EGGDRM Cc1ccc(F)c(NNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000833749846 604940314 /nfs/dbraw/zinc/94/03/14/604940314.db2.gz XJWCAZUBMAOSGS-LLVKDONJSA-N -1 0 348.399 3.456 20 50 EGGDRM CC(C)c1ccc(/C=C\CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833510409 605071466 /nfs/dbraw/zinc/07/14/66/605071466.db2.gz VHHGKGRAYJLQOV-ARJAWSKDSA-N -1 0 339.395 3.450 20 50 EGGDRM C[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833612281 605247798 /nfs/dbraw/zinc/24/77/98/605247798.db2.gz NQWITGWEAGXQNS-QMTHXVAHSA-N -1 0 340.807 3.077 20 50 EGGDRM COc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2C(=O)[O-])cc1 ZINC000833732955 605492805 /nfs/dbraw/zinc/49/28/05/605492805.db2.gz XUVIDDSCHJCYEL-GDNBJRDFSA-N -1 0 337.331 3.044 20 50 EGGDRM CC(C)(C)c1ccccc1OCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833449633 605737114 /nfs/dbraw/zinc/73/71/14/605737114.db2.gz PCLORSLNJZITOB-UHFFFAOYSA-N -1 0 342.395 3.204 20 50 EGGDRM CC(C)(CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833459311 605743145 /nfs/dbraw/zinc/74/31/45/605743145.db2.gz QMUGSRDEVPYTPP-UHFFFAOYSA-N -1 0 345.374 3.128 20 50 EGGDRM Cc1ccc(F)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826289311 1423504164 /nfs/dbraw/zinc/50/41/64/1423504164.db2.gz VCHZVJFSWAJQKP-DHDCSXOGSA-N -1 0 333.326 3.104 20 50 EGGDRM CCCC[C@@H](CC)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736437239 1426234573 /nfs/dbraw/zinc/23/45/73/1426234573.db2.gz HWWMSXMHGQSZRG-LLVKDONJSA-N -1 0 349.439 3.028 20 50 EGGDRM Cc1nc(C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)sc1C ZINC000826323437 1442299928 /nfs/dbraw/zinc/29/99/28/1442299928.db2.gz DOPQHFIZUJGEOB-WZUFQYTHSA-N -1 0 326.360 3.143 20 50 EGGDRM CC1(C)CC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000824790739 1446188361 /nfs/dbraw/zinc/18/83/61/1446188361.db2.gz PSXKKTSCBDBTCN-UHFFFAOYSA-N -1 0 340.431 3.189 20 50 EGGDRM CCCCCOc1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001589646816 949742730 /nfs/dbraw/zinc/74/27/30/949742730.db2.gz SBWXRVDHGHJBAX-UHFFFAOYSA-N -1 0 343.383 3.106 20 50 EGGDRM O=C([O-])CCC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001594996697 951088939 /nfs/dbraw/zinc/08/89/39/951088939.db2.gz JVXUEGGYHYCQIG-UHFFFAOYSA-N -1 0 344.211 3.032 20 50 EGGDRM O=C([O-])c1cccnc1NNC(=O)c1cccc(Nc2ccccc2)c1 ZINC001594781937 953639666 /nfs/dbraw/zinc/63/96/66/953639666.db2.gz YXKPLFFXZULTQV-UHFFFAOYSA-N -1 0 348.362 3.280 20 50 EGGDRM O=C([O-])[C@]1(C(=O)NNc2ccnc3cc(Cl)ccc32)CC=CCC1 ZINC001594867591 954320860 /nfs/dbraw/zinc/32/08/60/954320860.db2.gz OKYJDPQVWACEDU-QGZVFWFLSA-N -1 0 345.786 3.142 20 50 EGGDRM O=C([O-])C1(C(=O)NNc2cccc(C(F)(F)F)c2)CCCCC1 ZINC001594867673 954321569 /nfs/dbraw/zinc/32/15/69/954321569.db2.gz QHLQQEWMPTXTTC-UHFFFAOYSA-N -1 0 330.306 3.184 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000821544202 955516040 /nfs/dbraw/zinc/51/60/40/955516040.db2.gz JQARVDOQXGFPEQ-UHFFFAOYSA-N -1 0 341.754 3.343 20 50 EGGDRM Cc1cc(Cl)ccc1NNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594308275 957991122 /nfs/dbraw/zinc/99/11/22/957991122.db2.gz WFKJYOCASMUCGR-UHFFFAOYSA-N -1 0 333.775 3.173 20 50 EGGDRM Cc1cc(NC(=O)[C@H](Br)C(C)(C)C)ccc1C(=O)[O-] ZINC001594314614 958058150 /nfs/dbraw/zinc/05/81/50/958058150.db2.gz OBGALTXRECUEKF-NSHDSACASA-N -1 0 328.206 3.441 20 50 EGGDRM O=C([O-])c1cccnc1NNC(=O)C(c1ccccc1)c1ccccc1 ZINC001606528809 974038947 /nfs/dbraw/zinc/03/89/47/974038947.db2.gz QPOJULOMUSQFRW-UHFFFAOYSA-N -1 0 347.374 3.055 20 50 EGGDRM CCc1cccc(C)c1NNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603975193 974465395 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C[C@@H](CCC(C)(C)C)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592477646 978245724 /nfs/dbraw/zinc/24/57/24/978245724.db2.gz MFVWFORUVYVZEA-JTQLQIEISA-N -1 0 325.384 3.365 20 50 EGGDRM C[C@@H](CN(C(=O)CCCC[C@H]1CCSS1)C1CC1)C(=O)[O-] ZINC000736563351 978343201 /nfs/dbraw/zinc/34/32/01/978343201.db2.gz ORQFORWIYIUURU-AAEUAGOBSA-N -1 0 331.503 3.412 20 50 EGGDRM C[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736625292 978345878 /nfs/dbraw/zinc/34/58/78/978345878.db2.gz FVVFCVHYJYPRED-NSHDSACASA-N -1 0 329.308 3.077 20 50 EGGDRM CC[C@@](CNC(=O)C1CCC(Cl)CC1)(C(=O)[O-])c1ccccc1 ZINC001595139094 979587783 /nfs/dbraw/zinc/58/77/83/979587783.db2.gz AHXDFEINSGLNCB-RWKZGTHUSA-N -1 0 337.847 3.333 20 50 EGGDRM CC[C@](CNC(=O)C1CCC(Cl)CC1)(C(=O)[O-])c1ccccc1 ZINC001595139093 979588005 /nfs/dbraw/zinc/58/80/05/979588005.db2.gz AHXDFEINSGLNCB-LEHRNKBSSA-N -1 0 337.847 3.333 20 50 EGGDRM CC[C@H](Cc1ccccc1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595213685 980009372 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CC(C)(C)c1nc(C(=O)NNc2cccc(F)c2C(=O)[O-])cs1 ZINC001590537524 990155751 /nfs/dbraw/zinc/15/57/51/990155751.db2.gz MKCABYDLMKMLFL-UHFFFAOYSA-N -1 0 337.376 3.035 20 50 EGGDRM CC(C)(CC(=O)NNc1cccc(F)c1C(=O)[O-])CC(F)(F)F ZINC001590621570 990301956 /nfs/dbraw/zinc/30/19/56/990301956.db2.gz FIVWJRGBPMQEAX-UHFFFAOYSA-N -1 0 336.285 3.336 20 50 EGGDRM CC(C)(CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001590621757 990302867 /nfs/dbraw/zinc/30/28/67/990302867.db2.gz LBXUTAPPXNWRFC-UHFFFAOYSA-N -1 0 348.349 3.474 20 50 EGGDRM CC(C)[C@H](Cc1ccccc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001590993080 991210294 /nfs/dbraw/zinc/21/02/94/991210294.db2.gz GOMFKAKXCBFBQR-AWEZNQCLSA-N -1 0 344.386 3.482 20 50 EGGDRM COc1ccccc1C/C(C)=C\C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599703723 991260825 /nfs/dbraw/zinc/26/08/25/991260825.db2.gz BXKOJHYGQASZOR-QBFSEMIESA-N -1 0 340.379 3.026 20 50 EGGDRM CC(C)Cc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001591489397 992620590 /nfs/dbraw/zinc/62/05/90/992620590.db2.gz 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Cc1c(Cl)cccc1NNC(=O)Nc1ccccc1CC(=O)[O-] ZINC001594262834 959711942 /nfs/dbraw/zinc/71/19/42/959711942.db2.gz SYPMIXNPQZFYJR-UHFFFAOYSA-N -1 0 333.775 3.424 20 50 EGGDRM O=C([O-])c1cccnc1NNC(=O)c1cc2c(ccc3ccccc23)o1 ZINC001574578305 962087608 /nfs/dbraw/zinc/08/76/08/962087608.db2.gz DTBOTDFJKOKQFU-UHFFFAOYSA-N -1 0 347.330 3.436 20 50 EGGDRM O=C([O-])[C@@H](C(=O)NNc1ccc(Cl)cc1Cl)C1CCCC1 ZINC001605898010 972707880 /nfs/dbraw/zinc/70/78/80/972707880.db2.gz HNHJFRMWMDQBGB-GFCCVEGCSA-N -1 0 331.199 3.328 20 50 EGGDRM O=C([O-])C1(C(=O)NNc2cccc3c2CCCC3)CCCCCC1 ZINC001605935879 972877085 /nfs/dbraw/zinc/87/70/85/972877085.db2.gz VAPNWWXNMAFCOI-UHFFFAOYSA-N -1 0 330.428 3.434 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NNc2cccc(Cl)c2Cl)cc1 ZINC001606478482 973955654 /nfs/dbraw/zinc/95/56/54/973955654.db2.gz BYJZKAXJKHYJKV-UHFFFAOYSA-N -1 0 325.151 3.449 20 50 EGGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001606528515 974034358 /nfs/dbraw/zinc/03/43/58/974034358.db2.gz KQWCIHVJHAISQG-IRXDYDNUSA-N -1 0 347.374 3.180 20 50 EGGDRM CC(C)c1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)c(O)c1 ZINC001591942123 976465431 /nfs/dbraw/zinc/46/54/31/976465431.db2.gz CKGIDBOBMYCGEQ-UHFFFAOYSA-N -1 0 332.331 3.110 20 50 EGGDRM CC(C)c1ccc(NNC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001591974175 976585685 /nfs/dbraw/zinc/58/56/85/976585685.db2.gz QLCABCVGRQLWIP-UHFFFAOYSA-N -1 0 343.383 3.422 20 50 EGGDRM CN(CCCC(=O)NN(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000737427703 978407604 /nfs/dbraw/zinc/40/76/04/978407604.db2.gz UVCHXMQHEGUSFI-UHFFFAOYSA-N -1 0 327.384 3.246 20 50 EGGDRM Cc1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1C ZINC000738584134 978569762 /nfs/dbraw/zinc/56/97/62/978569762.db2.gz GNKKSUNXZBXTGY-UHFFFAOYSA-N -1 0 329.308 3.058 20 50 EGGDRM O=C([O-])Nc1ccc(C(=O)NNC(=O)c2cccc3ccccc32)cc1 ZINC000738660215 978583411 /nfs/dbraw/zinc/58/34/11/978583411.db2.gz GLNWKPKIRMGQNV-UHFFFAOYSA-N -1 0 349.346 3.005 20 50 EGGDRM O=C([O-])c1ccc(CNC(=O)CCCC[C@H]2CCSS2)o1 ZINC000739232216 978622656 /nfs/dbraw/zinc/62/26/56/978622656.db2.gz JHEZWLXYWBEZFA-NSHDSACASA-N -1 0 329.443 3.308 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000740088875 978668242 /nfs/dbraw/zinc/66/82/42/978668242.db2.gz ZPXLBGADCIMVPK-UHFFFAOYSA-N -1 0 339.662 3.305 20 50 EGGDRM O=C([O-])c1ccc(C=NNC(=O)c2cc3c(s2)CCCCCC3)[nH]1 ZINC000749809151 978689359 /nfs/dbraw/zinc/68/93/59/978689359.db2.gz BCMSBRIJCIYQQB-UHFFFAOYSA-N -1 0 345.424 3.197 20 50 EGGDRM C[C@H]1C(=NNC(=O)NCc2ccc(Cl)cc2)CC[C@H]1CC(=O)[O-] ZINC000814848450 978892465 /nfs/dbraw/zinc/89/24/65/978892465.db2.gz LJWAAOPJCZKNBK-PWSUYJOCSA-N -1 0 337.807 3.016 20 50 EGGDRM C[C@H](CSc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592830495 979555609 /nfs/dbraw/zinc/55/56/09/979555609.db2.gz XDHBYHNXURDMLK-LLVKDONJSA-N -1 0 348.399 3.395 20 50 EGGDRM C[C@H](CSc1ccccc1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592830497 979555715 /nfs/dbraw/zinc/55/57/15/979555715.db2.gz XFSPCQRSCMTIOU-CYBMUJFWSA-N -1 0 344.436 3.185 20 50 EGGDRM CC(F)(F)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001592944002 980018235 /nfs/dbraw/zinc/01/82/35/980018235.db2.gz UQLHYTFOGPIBOI-UHFFFAOYSA-N -1 0 338.285 3.393 20 50 EGGDRM CCC1(C(=O)NNc2ccc(CC(=O)[O-])cc2)CCC(F)(F)CC1 ZINC001595366987 980817705 /nfs/dbraw/zinc/81/77/05/980817705.db2.gz UBSMPGUNSRJWGI-UHFFFAOYSA-N -1 0 340.370 3.363 20 50 EGGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1ccc(C(F)(F)F)cc1 ZINC001599957288 985710841 /nfs/dbraw/zinc/71/08/41/985710841.db2.gz MVFMIZQCBKFVRU-UHFFFAOYSA-N -1 0 341.289 3.105 20 50 EGGDRM CCOCc1ccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001596964018 986165556 /nfs/dbraw/zinc/16/55/56/986165556.db2.gz DDFHITOZPKKADH-UHFFFAOYSA-N -1 0 347.346 3.209 20 50 EGGDRM CCOc1cc(C)ccc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001597030302 986442039 /nfs/dbraw/zinc/44/20/39/986442039.db2.gz AHOCKZKMZZJWJC-UHFFFAOYSA-N -1 0 329.356 3.241 20 50 EGGDRM CCOc1ccc(NNC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001597125729 986832016 /nfs/dbraw/zinc/83/20/16/986832016.db2.gz DBUFYFGGTOVPQK-UHFFFAOYSA-N -1 0 343.383 3.251 20 50 EGGDRM CC(C)(C#N)c1ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001589557945 987308369 /nfs/dbraw/zinc/30/83/69/987308369.db2.gz JFDZQDFKAWJNQY-UHFFFAOYSA-N -1 0 341.342 3.082 20 50 EGGDRM CCc1ccc(C#CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001597494734 988037995 /nfs/dbraw/zinc/03/79/95/988037995.db2.gz HZBJHYSNHQSGCA-UHFFFAOYSA-N -1 0 342.782 3.095 20 50 EGGDRM CSCc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001599803308 988213735 /nfs/dbraw/zinc/21/37/35/988213735.db2.gz UVMIRXSIJDPHIC-UHFFFAOYSA-N -1 0 331.397 3.396 20 50 EGGDRM CSc1ccc(C)c(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599812001 988353950 /nfs/dbraw/zinc/35/39/50/988353950.db2.gz OKXYVGGCPBCZFY-UHFFFAOYSA-N -1 0 330.409 3.480 20 50 EGGDRM CC(C)CCC(=O)NN[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591214066 992069114 /nfs/dbraw/zinc/06/91/14/992069114.db2.gz OEWXDMFCOZKLAX-ZDUSSCGKSA-N -1 0 333.215 3.176 20 50 EGGDRM COc1ccc(S[C@H](C)C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001599619572 994062516 /nfs/dbraw/zinc/06/25/16/994062516.db2.gz ZXHUUSOLRFTLKC-LLVKDONJSA-N -1 0 346.408 3.017 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)CCc1ccc(Cl)cc1 ZINC001599377242 998506540 /nfs/dbraw/zinc/50/65/40/998506540.db2.gz PMTHFTTWWFPUJG-UHFFFAOYSA-N -1 0 348.786 3.123 20 50 EGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@](C)(CC)CC(=O)[O-])c1C ZINC000829579944 601133632 /nfs/dbraw/zinc/13/36/32/601133632.db2.gz OGFRNDKFOLURGU-LZOLKVDOSA-N -1 0 345.443 3.182 20 50 EGGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2c(Cl)cccc2Cl)C1 ZINC000833183876 602051619 /nfs/dbraw/zinc/05/16/19/602051619.db2.gz LKDAMTKDZMMWBS-RKDXNWHRSA-N -1 0 331.199 3.328 20 50 EGGDRM CC(C)[C@@H](CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC000833468565 604800243 /nfs/dbraw/zinc/80/02/43/604800243.db2.gz IBTSYTSSLZXOFY-OAHLLOKOSA-N -1 0 327.384 3.053 20 50 EGGDRM CC(C)C[C@H](C)OCCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833474875 605248910 /nfs/dbraw/zinc/24/89/10/605248910.db2.gz AAMJWQSEVPRBMF-NSHDSACASA-N -1 0 342.823 3.323 20 50 EGGDRM CC(C)Oc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833506683 605707440 /nfs/dbraw/zinc/70/74/40/605707440.db2.gz LLZRMXJXARKKRP-UHFFFAOYSA-N -1 0 329.356 3.321 20 50 EGGDRM C=C(C)COc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833369936 605710329 /nfs/dbraw/zinc/71/03/29/605710329.db2.gz HNNUGHPSQIMIMP-UHFFFAOYSA-N -1 0 341.367 3.488 20 50 EGGDRM N#CC(=Cc1ccc(Cl)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379178 1443803968 /nfs/dbraw/zinc/80/39/68/1443803968.db2.gz KZXYYGQKHDPNRX-YRNVUSSQSA-N -1 0 341.783 3.371 20 50 EGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCCC(=O)[O-])c1C ZINC001589667113 949898883 /nfs/dbraw/zinc/89/88/83/949898883.db2.gz HVLFBBJMUWZZSN-SFQUDFHCSA-N -1 0 345.443 3.135 20 50 EGGDRM C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)[O-])cc1OC ZINC000011285340 956890319 /nfs/dbraw/zinc/89/03/19/956890319.db2.gz CIZBKBGOXNYMRF-BJMVGYQFSA-N -1 0 338.157 3.014 20 50 EGGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC000018918202 957103385 /nfs/dbraw/zinc/10/33/85/957103385.db2.gz HVZYDIPLZZSZJA-NTEUORMPSA-N -1 0 325.295 3.079 20 50 EGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2cccc(Br)c2)c1 ZINC001594288157 957793298 /nfs/dbraw/zinc/79/32/98/957793298.db2.gz AOWAIQMSXUTMEF-UHFFFAOYSA-N -1 0 349.184 3.213 20 50 EGGDRM CC(C)(C)c1ccc(C=CC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001573462612 958921039 /nfs/dbraw/zinc/92/10/39/958921039.db2.gz HCTQUGCVEPSSAX-DHZHZOJOSA-N -1 0 339.395 3.234 20 50 EGGDRM Cc1c(C(=O)NNc2ncccc2C(=O)[O-])oc2c1c(C)ccc2C ZINC001574359712 961021003 /nfs/dbraw/zinc/02/10/03/961021003.db2.gz WXULEFBALSCONY-UHFFFAOYSA-N -1 0 339.351 3.208 20 50 EGGDRM O=C([O-])[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@H]1C1CC1 ZINC001341951125 962147025 /nfs/dbraw/zinc/14/70/25/962147025.db2.gz OQKNGVXXMCLEHL-MELADBBJSA-N -1 0 343.514 3.270 20 50 EGGDRM O=C([O-])[C@@H]1CCN(C[C@H](CBr)C2CC2)c2ccccc21 ZINC001574655600 962454232 /nfs/dbraw/zinc/45/42/32/962454232.db2.gz BDWNMGVTSMKHAI-GXTWGEPZSA-N -1 0 338.245 3.486 20 50 EGGDRM C[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C[C@@H]1C(=O)[O-] ZINC000843334661 969238813 /nfs/dbraw/zinc/23/88/13/969238813.db2.gz JYCJFLRTKAFVAD-AGIUHOORSA-N -1 0 331.503 3.270 20 50 EGGDRM Cc1cc(NNC(=O)NCc2ccccc2C(=O)[O-])ccc1Cl ZINC001605213251 972954736 /nfs/dbraw/zinc/95/47/36/972954736.db2.gz BLFLIBJLFGFAMB-UHFFFAOYSA-N -1 0 333.775 3.173 20 50 EGGDRM CC(C)OCc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001591730770 975699428 /nfs/dbraw/zinc/69/94/28/975699428.db2.gz AGFQYIAAKYAOBB-UHFFFAOYSA-N -1 0 346.358 3.206 20 50 EGGDRM CC(C)Oc1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001591788239 975970130 /nfs/dbraw/zinc/97/01/30/975970130.db2.gz VZRXBVGCVDPLEL-UHFFFAOYSA-N -1 0 343.383 3.250 20 50 EGGDRM CC(C)c1cccc(OCC(=O)NNc2ccccc2C(=O)[O-])c1 ZINC001591994789 976635672 /nfs/dbraw/zinc/63/56/72/976635672.db2.gz RUWFRANMOOQGBA-UHFFFAOYSA-N -1 0 328.368 3.030 20 50 EGGDRM CC(C)c1csc(NC(=O)NNc2cccc(C(=O)[O-])c2F)n1 ZINC001592008056 976671947 /nfs/dbraw/zinc/67/19/47/976671947.db2.gz CXHHJBCWSQURKR-UHFFFAOYSA-N -1 0 338.364 3.252 20 50 EGGDRM Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)CC(=O)[O-])c(C)n1CC(C)C ZINC000738378466 978529037 /nfs/dbraw/zinc/52/90/37/978529037.db2.gz HDRHUEPCXCRQNE-LZYBPNLTSA-N -1 0 345.443 3.037 20 50 EGGDRM CC(=NNC(=O)CCCc1cccs1)c1cc(C(=O)[O-])cs1 ZINC000814847537 978892225 /nfs/dbraw/zinc/89/22/25/978892225.db2.gz RVGPXWJNITUMJO-UHFFFAOYSA-N -1 0 336.438 3.371 20 50 EGGDRM CC[C@@H](C)c1ncc(NC(=O)NNc2cccc(C(=O)[O-])c2C)cn1 ZINC001595017936 979086140 /nfs/dbraw/zinc/08/61/40/979086140.db2.gz NGKCZEMYDUXLNR-SNVBAGLBSA-N -1 0 343.387 3.145 20 50 EGGDRM CC[C@H](C)n1nc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1C ZINC001595023907 979120574 /nfs/dbraw/zinc/12/05/74/979120574.db2.gz MYXFHBAVQPAMME-VIFPVBQESA-N -1 0 349.366 3.148 20 50 EGGDRM CC[C@@H](Cc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595210886 979986020 /nfs/dbraw/zinc/98/60/20/979986020.db2.gz KNPZUTZJUAXDSS-ZDUSSCGKSA-N -1 0 330.359 3.236 20 50 EGGDRM CC[C@H](NC(=O)/C(C#N)=C/c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595231681 980106082 /nfs/dbraw/zinc/10/60/82/980106082.db2.gz SUWKNHLPOCMZHT-ZGUWOUCSSA-N -1 0 338.363 3.461 20 50 EGGDRM O=C([O-])c1ccc(C=NNC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000916369525 982675589 /nfs/dbraw/zinc/67/55/89/982675589.db2.gz FZSSEUGPCRWJHG-UHFFFAOYSA-N -1 0 342.420 3.479 20 50 EGGDRM CCCOc1cccc(C(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001595967369 983179760 /nfs/dbraw/zinc/17/97/60/983179760.db2.gz RHHMZVJKHDRMFN-UHFFFAOYSA-N -1 0 328.368 3.239 20 50 EGGDRM C=C[C@@](C)(CC)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001588681874 983842259 /nfs/dbraw/zinc/84/22/59/983842259.db2.gz FUKNSPLIZUNKBK-AWEZNQCLSA-N -1 0 341.205 3.193 20 50 EGGDRM Cc1[nH]c2ccccc2c1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599966358 985914127 /nfs/dbraw/zinc/91/41/27/985914127.db2.gz OWCXVVIRITYLEH-UHFFFAOYSA-N -1 0 327.315 3.071 20 50 EGGDRM C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC001589424583 986693757 /nfs/dbraw/zinc/69/37/57/986693757.db2.gz XDUONHNGLZMCKS-VIFPVBQESA-N -1 0 336.750 3.424 20 50 EGGDRM CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1C)c1ccc(OC)cc1 ZINC001594736496 987277758 /nfs/dbraw/zinc/27/77/58/987277758.db2.gz MMARCVZNPBRGBH-OAHLLOKOSA-N -1 0 342.395 3.339 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC001589699138 987784147 /nfs/dbraw/zinc/78/41/47/987784147.db2.gz KLGRYBLDILSTHT-MNOVXSKESA-N -1 0 347.180 3.304 20 50 EGGDRM CSSCCNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001599804696 988234614 /nfs/dbraw/zinc/23/46/14/988234614.db2.gz SQEPQVICYKHCJA-UHFFFAOYSA-N -1 0 332.472 3.239 20 50 EGGDRM CSc1ccc(NNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001599820533 988505584 /nfs/dbraw/zinc/50/55/84/988505584.db2.gz AEVFVFHFIBSUKL-MAUKXSAKSA-N -1 0 342.420 3.110 20 50 EGGDRM CSc1ccc(NNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001599820535 988505622 /nfs/dbraw/zinc/50/56/22/988505622.db2.gz AEVFVFHFIBSUKL-YJBOKZPZSA-N -1 0 342.420 3.110 20 50 EGGDRM COc1cccc2cc(C(=O)NNc3cccc(C(=O)[O-])c3C)oc21 ZINC001599692562 991094325 /nfs/dbraw/zinc/09/43/25/991094325.db2.gz MZAJCFDJXSJJNH-UHFFFAOYSA-N -1 0 340.335 3.205 20 50 EGGDRM CC(C)Cc1ccc(CC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001591484894 992614331 /nfs/dbraw/zinc/61/43/31/992614331.db2.gz WMDRSQIVHHDHIV-UHFFFAOYSA-N -1 0 344.386 3.408 20 50 EGGDRM C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC001593102467 993744594 /nfs/dbraw/zinc/74/45/94/993744594.db2.gz SVLCDPTURDHLAU-VXGBXAGGSA-N -1 0 345.374 3.342 20 50 EGGDRM COc1cc(C)c(C)cc1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599390516 997026180 /nfs/dbraw/zinc/02/61/80/997026180.db2.gz AJLPKXUTYBPGKZ-UHFFFAOYSA-N -1 0 347.346 3.298 20 50 EGGDRM CC(C)CCC(=O)NN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000826840374 601973871 /nfs/dbraw/zinc/97/38/71/601973871.db2.gz MNGFWWRTCJJYPS-CYBMUJFWSA-N -1 0 333.215 3.176 20 50 EGGDRM C[C@H](CC(=O)[O-])C(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000827303848 602064186 /nfs/dbraw/zinc/06/41/86/602064186.db2.gz JOVSNPSBUURDDY-RXMQYKEDSA-N -1 0 325.579 3.201 20 50 EGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNc2ccccc2F)cc1 ZINC000833418402 604734416 /nfs/dbraw/zinc/73/44/16/604734416.db2.gz IZCYGDQCQMCIAJ-UHFFFAOYSA-N -1 0 331.347 3.337 20 50 EGGDRM C=C[C@H](CC(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000833371934 604795496 /nfs/dbraw/zinc/79/54/96/604795496.db2.gz XEQJQFQFSDIXDH-CYBMUJFWSA-N -1 0 340.379 3.196 20 50 EGGDRM C[C@@H](Sc1ccccc1C(=O)NNc1cccc(F)c1)C(=O)[O-] ZINC000833545756 604935355 /nfs/dbraw/zinc/93/53/55/604935355.db2.gz MUKOYAHUMJNCLB-SNVBAGLBSA-N -1 0 334.372 3.148 20 50 EGGDRM COc1ccc(C)cc1[C@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833731165 605739905 /nfs/dbraw/zinc/73/99/05/605739905.db2.gz UBMACOXRMJTOLP-LBPRGKRZSA-N -1 0 343.383 3.089 20 50 EGGDRM CC(C)(C)c1ncc(/C=C\C(=O)NNc2cccc(C(=O)[O-])c2)s1 ZINC000833450462 605774025 /nfs/dbraw/zinc/77/40/25/605774025.db2.gz CUITTWSIBREOGI-FPLPWBNLSA-N -1 0 345.424 3.295 20 50 EGGDRM CCCCC[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825266866 1429580953 /nfs/dbraw/zinc/58/09/53/1429580953.db2.gz HVQFBQYACWGHMU-OAHLLOKOSA-N -1 0 330.436 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C[C@H](CCC(C)(C)C)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592477131 978240920 /nfs/dbraw/zinc/24/09/20/978240920.db2.gz FNXCGXUXHZKEDB-SNVBAGLBSA-N -1 0 325.384 3.365 20 50 EGGDRM COc1cc(/C=C(/C#N)C(=O)[O-])cc(OC)c1OCc1ccccc1 ZINC000733778018 978300201 /nfs/dbraw/zinc/30/02/01/978300201.db2.gz KAJCBVJPJWMHJB-NVNXTCNLSA-N -1 0 339.347 3.274 20 50 EGGDRM CC(C)(C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736231831 978312323 /nfs/dbraw/zinc/31/23/23/978312323.db2.gz HMXLPDALPOXZBJ-UHFFFAOYSA-N -1 0 347.298 3.315 20 50 EGGDRM C[C@H](CN(C(=O)CCCC[C@@H]1CCSS1)C1CC1)C(=O)[O-] ZINC000736563355 978343124 /nfs/dbraw/zinc/34/31/24/978343124.db2.gz ORQFORWIYIUURU-DGCLKSJQSA-N -1 0 331.503 3.412 20 50 EGGDRM Cc1cc(OC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000738464289 978542933 /nfs/dbraw/zinc/54/29/33/978542933.db2.gz FIPQLUPKUOZXSZ-UHFFFAOYSA-N -1 0 329.308 3.140 20 50 EGGDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NNc1ccc(F)c(F)c1F ZINC000738535989 978553284 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C[C@@H](Cc1ccc(NC(=O)NNc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC001592872338 979728513 /nfs/dbraw/zinc/72/85/13/979728513.db2.gz KBCYWOPQBBXESK-JTQLQIEISA-N -1 0 349.337 3.377 20 50 EGGDRM CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595357008 980718101 /nfs/dbraw/zinc/71/81/01/980718101.db2.gz SAFONQRXCSAVLG-MRXNPFEDSA-N -1 0 346.358 3.133 20 50 EGGDRM CCC(C)(C)c1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC001594813985 981935133 /nfs/dbraw/zinc/93/51/33/981935133.db2.gz BKDLHXCXZMOMCS-UHFFFAOYSA-N -1 0 327.384 3.224 20 50 EGGDRM CCCN(C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C)[C@H](C)C(=O)[O-] ZINC001595812904 982650902 /nfs/dbraw/zinc/65/09/02/982650902.db2.gz CDAWOKLJCVMPEZ-QJISPJEISA-N -1 0 345.443 3.134 20 50 EGGDRM C=CC[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001588771091 984138102 /nfs/dbraw/zinc/13/81/02/984138102.db2.gz NSYIAKSQDSZYIN-XHDPSFHLSA-N -1 0 335.379 3.285 20 50 EGGDRM C=Cc1ccc(CCNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001588921853 984580449 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COc1ccccc1/C(C)=C/C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599698409 991183147 /nfs/dbraw/zinc/18/31/47/991183147.db2.gz YXKDKJRAQHGURZ-PKNBQFBNSA-N -1 0 344.342 3.079 20 50 EGGDRM COc1ccccc1CC(C)(C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599704030 991265831 /nfs/dbraw/zinc/26/58/31/991265831.db2.gz ONDQKIWTBASXQQ-UHFFFAOYSA-N -1 0 342.395 3.105 20 50 EGGDRM C[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)[C@H]1CC2CCC1CC2 ZINC001593102260 993742870 /nfs/dbraw/zinc/74/28/70/993742870.db2.gz QHVUBUXXXCDTJQ-HEAFNYJSSA-N -1 0 345.443 3.155 20 50 EGGDRM CC1(c2ccccc2C(=O)NNc2cccc(F)c2C(=O)[O-])CC1 ZINC001594081552 997983448 /nfs/dbraw/zinc/98/34/48/997983448.db2.gz NVFFHTMARSPEQI-UHFFFAOYSA-N -1 0 328.343 3.332 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001599376292 998491580 /nfs/dbraw/zinc/49/15/80/998491580.db2.gz PIIQZBAFZVQAHQ-QGZVFWFLSA-N -1 0 342.395 3.276 20 50 EGGDRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594217492 998837948 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O=C([O-])[C@]1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CC=CCC1 ZINC001594865561 954316180 /nfs/dbraw/zinc/31/61/80/954316180.db2.gz XLHUKZNVDWHJRJ-CQSZACIVSA-N -1 0 346.280 3.099 20 50 EGGDRM CCC(C)(C)c1ccccc1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589451224 954801072 /nfs/dbraw/zinc/80/10/72/954801072.db2.gz DWNUYTNBCZUVGQ-UHFFFAOYSA-N -1 0 327.384 3.224 20 50 EGGDRM Cc1cc(/C=C(\C#N)C(=O)NCCCCC(=O)[O-])c(C)n1CC(C)C ZINC001594301038 957907909 /nfs/dbraw/zinc/90/79/09/957907909.db2.gz FRJNSKKQYXOKLK-LICLKQGHSA-N -1 0 345.443 3.039 20 50 EGGDRM COC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000205437140 959658173 /nfs/dbraw/zinc/65/81/73/959658173.db2.gz PWUKLJLUUMYMLL-YBEGLDIGSA-N -1 0 337.331 3.044 20 50 EGGDRM CC(C)(CCNC(=O)NNc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000818623749 969188964 /nfs/dbraw/zinc/18/89/64/969188964.db2.gz NCSWIUHTSDIGHP-UHFFFAOYSA-N -1 0 334.203 3.120 20 50 EGGDRM C[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C[C@H]1C(=O)[O-] ZINC000843334663 969238553 /nfs/dbraw/zinc/23/85/53/969238553.db2.gz 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CC(C)(C)c1ccc(CNC(=O)NNc2ccc(CC(=O)[O-])cc2)o1 ZINC001590488017 990090649 /nfs/dbraw/zinc/09/06/49/990090649.db2.gz ZVNVHSWNMIBAIO-UHFFFAOYSA-N -1 0 345.399 3.031 20 50 EGGDRM CC(C)(C)c1csc(NC(=O)NNc2cccc(C(=O)[O-])c2)n1 ZINC001590537500 990155863 /nfs/dbraw/zinc/15/58/63/990155863.db2.gz XOGLVRBJKAEVCK-UHFFFAOYSA-N -1 0 334.401 3.287 20 50 EGGDRM CC(C)COc1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])cc1 ZINC001591396632 992460031 /nfs/dbraw/zinc/46/00/31/992460031.db2.gz KOMJFABIUGAEKQ-UHFFFAOYSA-N -1 0 346.358 3.316 20 50 EGGDRM COc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c(C)cc1C ZINC001599439605 997909900 /nfs/dbraw/zinc/90/99/00/997909900.db2.gz JVVITJOUIXGQJS-UHFFFAOYSA-N -1 0 347.346 3.298 20 50 EGGDRM COc1cc(NNC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001599444932 997992009 /nfs/dbraw/zinc/99/20/09/997992009.db2.gz NTBOXSYEOIEDEQ-UHFFFAOYSA-N -1 0 348.786 3.123 20 50 EGGDRM C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825705313 601147876 /nfs/dbraw/zinc/14/78/76/601147876.db2.gz 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ZKSBCTHAIJAPAQ-UHFFFAOYSA-N -1 0 337.738 3.255 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001602921530 971880599 /nfs/dbraw/zinc/88/05/99/971880599.db2.gz YGBIEZXBMVHCTF-MJBXVCDLSA-N -1 0 341.524 3.110 20 50 EGGDRM O=C([O-])/C=C\c1cc(C(=O)NNc2ccc(Cl)cc2Cl)co1 ZINC001594968573 955080701 /nfs/dbraw/zinc/08/07/01/955080701.db2.gz PVGJJFSEPFNCCX-RQOWECAXSA-N -1 0 341.150 3.441 20 50 EGGDRM Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)C(=O)[O-])c(C)n1CCC(C)C ZINC000738232010 955236126 /nfs/dbraw/zinc/23/61/26/955236126.db2.gz YHABKXSQCLNWAA-YBEGLDIGSA-N -1 0 345.443 3.037 20 50 EGGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1ccc(F)c(Cl)c1 ZINC001589206206 956666885 /nfs/dbraw/zinc/66/68/85/956666885.db2.gz YLPHFYVBMCJPNA-UHFFFAOYSA-N -1 0 328.771 3.059 20 50 EGGDRM Cc1cccc(F)c1NNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594405035 958898121 /nfs/dbraw/zinc/89/81/21/958898121.db2.gz QYTOPLRZEUIIIA-HIFRSBDPSA-N -1 0 343.358 3.073 20 50 EGGDRM O=C([O-])c1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1 ZINC000254506866 961320390 /nfs/dbraw/zinc/32/03/90/961320390.db2.gz KAMSVKDCXAFNEZ-UHFFFAOYSA-N -1 0 348.358 3.067 20 50 EGGDRM O=C([O-])[C@H](C(=O)NNc1ccccc1Oc1ccccc1)C1CC1 ZINC001574617532 962234642 /nfs/dbraw/zinc/23/46/42/962234642.db2.gz QPDIFIVLXRCLER-INIZCTEOSA-N -1 0 326.352 3.033 20 50 EGGDRM CC(C)c1ccc(NNC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC001591974371 976588103 /nfs/dbraw/zinc/58/81/03/976588103.db2.gz SMMMMDQDQFYKAR-UHFFFAOYSA-N -1 0 343.383 3.422 20 50 EGGDRM CC[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000736859865 978363156 /nfs/dbraw/zinc/36/31/56/978363156.db2.gz KLACRQGUKRGLJX-CYBMUJFWSA-N -1 0 329.308 3.392 20 50 EGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)CC(=O)[O-])c1C ZINC000737003227 978372128 /nfs/dbraw/zinc/37/21/28/978372128.db2.gz FGLUYHSDBFPKHB-YBEGLDIGSA-N -1 0 345.443 3.182 20 50 EGGDRM C[C@@H](CCc1ccccc1F)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592545707 978429827 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CC(=NNC(=O)Cc1c[nH]c2ccccc12)[C@@H](C)CCCCC(=O)[O-] ZINC000814747039 978879614 /nfs/dbraw/zinc/87/96/14/978879614.db2.gz HNNFQFMBXJZCQC-ZDUSSCGKSA-N -1 0 343.427 3.484 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000852953377 979588324 /nfs/dbraw/zinc/58/83/24/979588324.db2.gz NJKBVBDIFULPMJ-NSHDSACASA-N -1 0 334.254 3.090 20 50 EGGDRM CC[C@@H](Cc1ccccc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001595212207 979998025 /nfs/dbraw/zinc/99/80/25/979998025.db2.gz YFFGPIPSCAYOIP-ZDUSSCGKSA-N -1 0 330.359 3.236 20 50 EGGDRM CCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001595751499 982435345 /nfs/dbraw/zinc/43/53/45/982435345.db2.gz TZMMZWHIHSNAME-ACCUITESSA-N -1 0 338.363 3.468 20 50 EGGDRM CCCCc1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001595793043 982594726 /nfs/dbraw/zinc/59/47/26/982594726.db2.gz BEBNKJNPPKXPNJ-UHFFFAOYSA-N -1 0 326.396 3.413 20 50 EGGDRM CCCN(C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C)[C@@H](C)C(=O)[O-] ZINC001595812905 982650748 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CCc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1OC ZINC001597546946 988254304 /nfs/dbraw/zinc/25/43/04/988254304.db2.gz NBPPRJTVKJPYFC-UHFFFAOYSA-N -1 0 347.346 3.244 20 50 EGGDRM CCc1cccc(C)c1NNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001597581179 988386120 /nfs/dbraw/zinc/38/61/20/988386120.db2.gz RNIYXWSGQMFDBX-UHFFFAOYSA-N -1 0 348.790 3.453 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC001590451827 990015291 /nfs/dbraw/zinc/01/52/91/990015291.db2.gz SUYJHHWDTNLADA-LBPRGKRZSA-N -1 0 339.464 3.214 20 50 EGGDRM CN(C(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)[O-])o1)C1CCCCC1 ZINC001597991061 990088568 /nfs/dbraw/zinc/08/85/68/990088568.db2.gz ZWYXCNIDVPJKRD-ZRQQEUPBSA-N -1 0 328.368 3.075 20 50 EGGDRM C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)[C@H](C)c1ccccc1 ZINC001593101888 993738894 /nfs/dbraw/zinc/73/88/94/993738894.db2.gz MMZCXAKJKVLSBV-NWDGAFQWSA-N -1 0 345.374 3.342 20 50 EGGDRM CNc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)c(Cl)c1 ZINC001598677858 994876660 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CCCN(CC)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833650841 605735396 /nfs/dbraw/zinc/73/53/96/605735396.db2.gz DQMMJLQKWBPHTB-UHFFFAOYSA-N -1 0 341.411 3.378 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000833424443 605781786 /nfs/dbraw/zinc/78/17/86/605781786.db2.gz VDONOQKMTOHBAP-GFCCVEGCSA-N -1 0 328.206 3.062 20 50 EGGDRM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)C1CCCCC1 ZINC000819773189 1425231568 /nfs/dbraw/zinc/23/15/68/1425231568.db2.gz RLRWDEAOIHFDHR-LBPRGKRZSA-N -1 0 340.431 3.189 20 50 EGGDRM CCC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825029441 1441527167 /nfs/dbraw/zinc/52/71/67/1441527167.db2.gz SKGPGTAZVOFRFI-WYMLVPIESA-N -1 0 348.410 3.112 20 50 EGGDRM O=C([O-])[C@H](C(=O)NNc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC001594835504 954022418 /nfs/dbraw/zinc/02/24/18/954022418.db2.gz HTWSXBDUQQLQNW-LBPRGKRZSA-N -1 0 330.306 3.040 20 50 EGGDRM CC[C@H](C)[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccccc1 ZINC001589455691 954818680 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O=C([O-])[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@H]1C1CC1 ZINC001341951093 962146524 /nfs/dbraw/zinc/14/65/24/962146524.db2.gz OQKNGVXXMCLEHL-HZSPNIEDSA-N -1 0 343.514 3.270 20 50 EGGDRM O=C([O-])CCCCC(=O)NNc1ccc(OCc2ccccc2)cc1 ZINC001574699883 962677787 /nfs/dbraw/zinc/67/77/87/962677787.db2.gz YIBJJRBBHUXAOI-UHFFFAOYSA-N -1 0 342.395 3.354 20 50 EGGDRM CC(C)Oc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001591797218 976015067 /nfs/dbraw/zinc/01/50/67/976015067.db2.gz ZTNWGYFWUBZEPX-UHFFFAOYSA-N -1 0 347.346 3.460 20 50 EGGDRM C[C@@H](CC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC001592251541 977479766 /nfs/dbraw/zinc/47/97/66/977479766.db2.gz DJXJEGNSYYOZJR-JTQLQIEISA-N -1 0 334.322 3.300 20 50 EGGDRM O=C([O-])[C@@H](NNC(=O)CCC1CCCCC1)c1cccc(Cl)c1 ZINC000739236360 978622992 /nfs/dbraw/zinc/62/29/92/978622992.db2.gz ULQFDSAATZNQKP-INIZCTEOSA-N -1 0 338.835 3.447 20 50 EGGDRM O=C([O-])c1cc(OC(=O)[C@H]2C[C@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000740088159 978667765 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3.449 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1F ZINC000833148237 604298346 /nfs/dbraw/zinc/29/83/46/604298346.db2.gz GKOJAUYFXRDTOS-UHFFFAOYSA-N -1 0 326.686 3.073 20 50 EGGDRM O=C([O-])c1cc(OC(=O)[C@H]2CCCc3sccc32)ccc1[N+](=O)[O-] ZINC000833300840 604863339 /nfs/dbraw/zinc/86/33/39/604863339.db2.gz OBNPFYDYPFYQMA-NSHDSACASA-N -1 0 347.348 3.380 20 50 EGGDRM CC(C)(C(=O)[O-])[C@H]1CCCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1 ZINC000833414359 604945285 /nfs/dbraw/zinc/94/52/85/604945285.db2.gz MGXKPZKBLKAIRJ-CIKBWMHTSA-N -1 0 343.383 3.282 20 50 EGGDRM CC(C)=CCOc1cccc(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833462171 605732494 /nfs/dbraw/zinc/73/24/94/605732494.db2.gz AQLCHURZXYYEFM-UHFFFAOYSA-N -1 0 340.379 3.487 20 50 EGGDRM C[C@@H](SCc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833542842 605735650 /nfs/dbraw/zinc/73/56/50/605735650.db2.gz KWQNOVLCUVFPPE-GFCCVEGCSA-N -1 0 330.409 3.150 20 50 EGGDRM CC(C)(C)c1ccc(NNC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000833449751 605773926 /nfs/dbraw/zinc/77/39/26/605773926.db2.gz ZVFABJWUMACCSY-UHFFFAOYSA-N -1 0 326.396 3.368 20 50 EGGDRM N#CC(=Cc1ccc(Cl)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379603 1426789619 /nfs/dbraw/zinc/78/96/19/1426789619.db2.gz WRZUCOFPKIRXLO-RIYZIHGNSA-N -1 0 335.754 3.310 20 50 EGGDRM CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825654177 1441763998 /nfs/dbraw/zinc/76/39/98/1441763998.db2.gz QOXLJFPHUGPSND-MHWRWJLKSA-N -1 0 345.362 3.055 20 50 EGGDRM CC(C)(C)[Si](C)(C)OCc1ccc(COCc2nn[n-]n2)cc1 ZINC001119539241 1443296329 /nfs/dbraw/zinc/29/63/29/1443296329.db2.gz AWIKYEOSBMEKFL-UHFFFAOYSA-N -1 0 334.496 3.438 20 50 EGGDRM O=C([O-])c1ccc(NC(=O)NNc2c(F)cc(F)cc2F)c(F)c1 ZINC001601554332 971015593 /nfs/dbraw/zinc/01/55/93/971015593.db2.gz XBZSQUYREPZMDK-UHFFFAOYSA-N -1 0 343.236 3.090 20 50 EGGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001602847759 971685153 /nfs/dbraw/zinc/68/51/53/971685153.db2.gz UBGQIPNTEBHBCA-QWHCGFSZSA-N -1 0 343.540 3.356 20 50 EGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001602921529 971880846 /nfs/dbraw/zinc/88/08/46/971880846.db2.gz YGBIEZXBMVHCTF-BFHYXJOUSA-N -1 0 341.524 3.110 20 50 EGGDRM CC[C@H](C)[C@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccccc1 ZINC001589455692 954819453 /nfs/dbraw/zinc/81/94/53/954819453.db2.gz OAQDVNVDQUOZBO-WFASDCNBSA-N -1 0 327.384 3.053 20 50 EGGDRM O=C([O-])/C=C\c1cc(C(=O)NNc2cc(Cl)ccc2Cl)co1 ZINC001594968231 955078261 /nfs/dbraw/zinc/07/82/61/955078261.db2.gz LPECHRWOTRLPMJ-RQOWECAXSA-N -1 0 341.150 3.441 20 50 EGGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000792713757 955346125 /nfs/dbraw/zinc/34/61/25/955346125.db2.gz VCDQGPFMRUEKGG-UHFFFAOYSA-N -1 0 349.818 3.008 20 50 EGGDRM Cc1cc(/C=C(/C#N)C(=O)NCCCCC(=O)[O-])c(C)n1CC(C)C ZINC001594301039 957907842 /nfs/dbraw/zinc/90/78/42/957907842.db2.gz FRJNSKKQYXOKLK-YVLHZVERSA-N -1 0 345.443 3.039 20 50 EGGDRM C=CCCC[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccccc1 ZINC001588458438 958462221 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N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)C(=O)c1cc(F)cc(F)c1 ZINC000588597745 974965718 /nfs/dbraw/zinc/96/57/18/974965718.db2.gz XGMXJYGEVJZMGY-ACAGNQJTSA-N -1 0 343.285 3.218 20 50 EGGDRM CC(C)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)nc1 ZINC001591947193 976489347 /nfs/dbraw/zinc/48/93/47/976489347.db2.gz HTZJMVZXLWOLSX-UHFFFAOYSA-N -1 0 330.296 3.031 20 50 EGGDRM C[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001592251604 977479694 /nfs/dbraw/zinc/47/96/94/977479694.db2.gz GBCCYRRZNPZQGK-JTQLQIEISA-N -1 0 334.322 3.300 20 50 EGGDRM C[C@@H](Cc1ccccc1F)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736629843 978346191 /nfs/dbraw/zinc/34/61/91/978346191.db2.gz PMEVABUNULRKAH-JTQLQIEISA-N -1 0 347.298 3.216 20 50 EGGDRM O=C([O-])CSCCC(=O)NN(c1ccccc1)c1ccccc1 ZINC000739845694 978656571 /nfs/dbraw/zinc/65/65/71/978656571.db2.gz INNNRFHFIDNHBN-UHFFFAOYSA-N -1 0 330.409 3.064 20 50 EGGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3ccc(Cl)cc3)c2c1 ZINC000740191269 978672204 /nfs/dbraw/zinc/67/22/04/978672204.db2.gz XCNFLSBQAWAYNR-UHFFFAOYSA-N -1 0 341.754 3.283 20 50 EGGDRM C[C@@H](Oc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1)C(=O)[O-] ZINC000794685490 978814936 /nfs/dbraw/zinc/81/49/36/978814936.db2.gz HNSMNVRAEZKHCN-WDGDVPDHSA-N -1 0 347.374 3.489 20 50 EGGDRM CC(=NNC(=O)c1cc(Cl)ccc1O)[C@@H](C)CCCCC(=O)[O-] ZINC000814776538 978883930 /nfs/dbraw/zinc/88/39/30/978883930.db2.gz AGTYCRGYNGJUHX-JTQLQIEISA-N -1 0 340.807 3.432 20 50 EGGDRM Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])[nH]1 ZINC000832854465 979051006 /nfs/dbraw/zinc/05/10/06/979051006.db2.gz JVNIQIMTEFTRIC-JXMROGBWSA-N -1 0 329.743 3.220 20 50 EGGDRM CN(C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC000849178843 979486877 /nfs/dbraw/zinc/48/68/77/979486877.db2.gz HVSWTUTVZBEINA-UKTHLTGXSA-N -1 0 330.359 3.222 20 50 EGGDRM C[C@@H](Cc1ccc(NC(=O)NNc2ccccc2F)cc1)C(=O)[O-] ZINC001592874075 979738792 /nfs/dbraw/zinc/73/87/92/979738792.db2.gz XFFPUZMUIVWWQP-NSHDSACASA-N -1 0 331.347 3.238 20 50 EGGDRM C[C@H](Cc1ccc(NC(=O)NNc2ccnc(Cl)c2)cc1)C(=O)[O-] ZINC001592874328 979739459 /nfs/dbraw/zinc/73/94/59/979739459.db2.gz ZGSVOZIUHFHDLQ-SNVBAGLBSA-N -1 0 348.790 3.147 20 50 EGGDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592883845 979763330 /nfs/dbraw/zinc/76/33/30/979763330.db2.gz XTOVYVOXWSANRR-LBPRGKRZSA-N -1 0 346.814 3.289 20 50 EGGDRM CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595210757 979985601 /nfs/dbraw/zinc/98/56/01/979985601.db2.gz KFIGJGLTCHPMCA-INIZCTEOSA-N -1 0 326.396 3.026 20 50 EGGDRM CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595210967 979986586 /nfs/dbraw/zinc/98/65/86/979986586.db2.gz NHVQJQITIPOFAP-CYBMUJFWSA-N -1 0 330.359 3.236 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000909581847 981547807 /nfs/dbraw/zinc/54/78/07/981547807.db2.gz PZOPGXJZXPQPOR-PWSUYJOCSA-N -1 0 340.217 3.011 20 50 EGGDRM CC[C@@H](C)C(=O)NN=C(C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001594866451 982175966 /nfs/dbraw/zinc/17/59/66/982175966.db2.gz MRVYNYQALDGSSD-MRVPVSSYSA-N -1 0 333.413 3.189 20 50 EGGDRM CCCCCn1nc(C)cc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595727973 982356427 /nfs/dbraw/zinc/35/64/27/982356427.db2.gz VBQSHSUOQCWGBN-UHFFFAOYSA-N -1 0 345.403 3.229 20 50 EGGDRM CCCN(C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C)[C@H](C)C(=O)[O-] ZINC001595812903 982650705 /nfs/dbraw/zinc/65/07/05/982650705.db2.gz CDAWOKLJCVMPEZ-QAEAHILHSA-N -1 0 345.443 3.134 20 50 EGGDRM CC[C@H](C)Oc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001595000032 982911725 /nfs/dbraw/zinc/91/17/25/982911725.db2.gz SAGNMFKOEXWGAE-NSHDSACASA-N -1 0 346.358 3.458 20 50 EGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)CC(=O)[O-])c1C ZINC001596108823 983436161 /nfs/dbraw/zinc/43/61/61/983436161.db2.gz QVOMMYOITJNAPU-SXGWCWSVSA-N -1 0 345.443 3.039 20 50 EGGDRM C[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)C1CCCCCC1 ZINC001599894050 984730863 /nfs/dbraw/zinc/73/08/63/984730863.db2.gz LDTSIOVMKHKUPX-ZDUSSCGKSA-N -1 0 333.432 3.299 20 50 EGGDRM Cc1c(Br)cccc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599972448 986029597 /nfs/dbraw/zinc/02/95/97/986029597.db2.gz NRWHBMFJOSFNMN-UHFFFAOYSA-N -1 0 349.184 3.213 20 50 EGGDRM CCOCc1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001596966166 986174851 /nfs/dbraw/zinc/17/48/51/986174851.db2.gz OWDIFZTWUNZBLD-UHFFFAOYSA-N -1 0 347.346 3.209 20 50 EGGDRM C[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1cn(C)c2ccccc12 ZINC001589422423 986665850 /nfs/dbraw/zinc/66/58/50/986665850.db2.gz GQZGLHINJDCFCF-LBPRGKRZSA-N -1 0 337.379 3.123 20 50 EGGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NNc2cc(F)ccc2F)cc1 ZINC001589512145 987146692 /nfs/dbraw/zinc/14/66/92/987146692.db2.gz OIJZDIBMXMEMNQ-SECBINFHSA-N -1 0 335.310 3.302 20 50 EGGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001597336682 987475267 /nfs/dbraw/zinc/47/52/67/987475267.db2.gz RXNCHSAYVUIWGS-ZDUSSCGKSA-N -1 0 331.347 3.301 20 50 EGGDRM CSc1ccc(O[C@@H](C)C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001599819844 988492401 /nfs/dbraw/zinc/49/24/01/988492401.db2.gz JJRRFPJWOHPRGI-NSHDSACASA-N -1 0 346.408 3.017 20 50 EGGDRM CSc1cccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001599824916 988582071 /nfs/dbraw/zinc/58/20/71/988582071.db2.gz XBUPHTPLKXYBOS-UHFFFAOYSA-N -1 0 331.397 3.184 20 50 EGGDRM CC(C)(CC(=O)NNc1ccc(C(=O)[O-])c(F)c1)CC(F)(F)F ZINC001590621820 990303820 /nfs/dbraw/zinc/30/38/20/990303820.db2.gz PEJCSFWIRBRBEH-UHFFFAOYSA-N -1 0 336.285 3.336 20 50 EGGDRM CC(C)(CC(=O)NNc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC001590621979 990305934 /nfs/dbraw/zinc/30/59/34/990305934.db2.gz YAAGTPULJPBOAO-UHFFFAOYSA-N -1 0 330.359 3.335 20 50 EGGDRM CC(C)[C@H](Cc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001590993533 991213148 /nfs/dbraw/zinc/21/31/48/991213148.db2.gz MRSABRPBOAGGEB-HNNXBMFYSA-N -1 0 344.386 3.482 20 50 EGGDRM CC(C)[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001591082518 991599753 /nfs/dbraw/zinc/59/97/53/991599753.db2.gz UMKJDGBWJBLGAG-DGCLKSJQSA-N -1 0 337.395 3.365 20 50 EGGDRM COc1ccc(S[C@@H](C)C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001599619573 994063103 /nfs/dbraw/zinc/06/31/03/994063103.db2.gz ZXHUUSOLRFTLKC-NSHDSACASA-N -1 0 346.408 3.017 20 50 EGGDRM C[C@@H](OC1CCCCCC1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001593602377 995762694 /nfs/dbraw/zinc/76/26/94/995762694.db2.gz CXAQXSXOIMVMKJ-LLVKDONJSA-N -1 0 338.379 3.095 20 50 EGGDRM COc1cc(C)cc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001599394312 997096692 /nfs/dbraw/zinc/09/66/92/997096692.db2.gz NKFJILDVHGSHTK-UHFFFAOYSA-N -1 0 347.346 3.298 20 50 EGGDRM COc1ccc(Cl)cc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599578574 998487371 /nfs/dbraw/zinc/48/73/71/998487371.db2.gz BLTGQSOSQZELNB-UHFFFAOYSA-N -1 0 349.774 3.124 20 50 EGGDRM C[C@H]1C[C@H](CNC(=O)NNc2ccc(CC(=O)[O-])cc2)C[C@@H](C)C1 ZINC001594222732 998858478 /nfs/dbraw/zinc/85/84/78/998858478.db2.gz IMFRSJXGCLDICW-NHAGDIPZSA-N -1 0 333.432 3.012 20 50 EGGDRM CCC[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000833647574 604647697 /nfs/dbraw/zinc/64/76/97/604647697.db2.gz HOHBJDGJNXEPKE-OAHLLOKOSA-N -1 0 342.395 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CCCCn1c(C)cc(/C=C(/C#N)C(=O)OC/C=C(/C)C(=O)[O-])c1C ZINC000829446471 601412209 /nfs/dbraw/zinc/41/22/09/601412209.db2.gz ASTYFTUZJGUWFU-LSJUXQAGSA-N -1 0 344.411 3.386 20 50 EGGDRM O=C([O-])[C@H](NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000833149249 601457778 /nfs/dbraw/zinc/45/77/78/601457778.db2.gz KIEXDJCQUMGCIT-CYBMUJFWSA-N -1 0 339.178 3.054 20 50 EGGDRM CCC[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000833647573 604647996 /nfs/dbraw/zinc/64/79/96/604647996.db2.gz HOHBJDGJNXEPKE-HNNXBMFYSA-N -1 0 342.395 3.420 20 50 EGGDRM Cc1ccc(F)c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1F ZINC000833749533 605163142 /nfs/dbraw/zinc/16/31/42/605163142.db2.gz MTIHHZQIUDAQFN-UHFFFAOYSA-N -1 0 337.234 3.099 20 50 EGGDRM CC(C)(C)O[C@@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833446043 605721139 /nfs/dbraw/zinc/72/11/39/605721139.db2.gz NENYQOGSYBWRKC-MRXNPFEDSA-N -1 0 342.395 3.384 20 50 EGGDRM Cc1cc(C)cc(C(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826264423 1429895926 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CC(=NNC(=O)c1cccc(N(C)C)c1)[C@@H](C)CCCCC(=O)[O-] ZINC000814733079 978878059 /nfs/dbraw/zinc/87/80/59/978878059.db2.gz KNRUGHMJOYICOQ-ZDUSSCGKSA-N -1 0 333.432 3.139 20 50 EGGDRM COc1ccc(Cl)c(NC(=O)NN=Cc2ccccc2C(=O)[O-])c1 ZINC000814991343 978900117 /nfs/dbraw/zinc/90/01/17/978900117.db2.gz DQUABCQWGZHHLX-UHFFFAOYSA-N -1 0 347.758 3.202 20 50 EGGDRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595213851 980010658 /nfs/dbraw/zinc/01/06/58/980010658.db2.gz XVHRAHKWQGUQKD-HNNXBMFYSA-N -1 0 345.374 3.171 20 50 EGGDRM CCC(F)(F)C(C)(C)CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595221851 980055551 /nfs/dbraw/zinc/05/55/51/980055551.db2.gz WHXWXBGQBRQWHQ-UHFFFAOYSA-N -1 0 347.337 3.222 20 50 EGGDRM CCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001595751500 982434904 /nfs/dbraw/zinc/43/49/04/982434904.db2.gz TZMMZWHIHSNAME-QBFSEMIESA-N -1 0 338.363 3.468 20 50 EGGDRM CC[C@H](C)Oc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001595000782 982913331 /nfs/dbraw/zinc/91/33/31/982913331.db2.gz 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988375251 /nfs/dbraw/zinc/37/52/51/988375251.db2.gz JOICLRXLNVMXTA-UHFFFAOYSA-N -1 0 327.384 3.333 20 50 EGGDRM CSc1ccsc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001599826332 988603671 /nfs/dbraw/zinc/60/36/71/988603671.db2.gz KKLGLYXXEYAJCC-UHFFFAOYSA-N -1 0 326.374 3.064 20 50 EGGDRM CC(C)(C)c1cnc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)s1 ZINC001590515789 990130724 /nfs/dbraw/zinc/13/07/24/990130724.db2.gz HVEXCYDKKRXWKT-UHFFFAOYSA-N -1 0 348.428 3.216 20 50 EGGDRM CC(C)(CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1=CCCC1 ZINC001590726254 990515871 /nfs/dbraw/zinc/51/58/71/990515871.db2.gz CYABHNALGLWMTD-UHFFFAOYSA-N -1 0 335.379 3.287 20 50 EGGDRM COc1ccccc1NNC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001599715264 991443529 /nfs/dbraw/zinc/44/35/29/991443529.db2.gz BVKDOVKZNSJPOX-UHFFFAOYSA-N -1 0 329.356 3.159 20 50 EGGDRM CC(C)CCOc1ccc(C(=O)NN=Cc2ccc(C(=O)[O-])o2)cc1 ZINC001591260323 992168860 /nfs/dbraw/zinc/16/88/60/992168860.db2.gz LDHRUIODQAIJJQ-UHFFFAOYSA-N -1 0 344.367 3.167 20 50 EGGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[C@H]1CC2CCC1CC2 ZINC001593101606 993737160 /nfs/dbraw/zinc/73/71/60/993737160.db2.gz IAPVOFSGBHMTIX-ZIULKBFBSA-N -1 0 349.406 3.365 20 50 EGGDRM COc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1C1CC1 ZINC001599484575 996825568 /nfs/dbraw/zinc/82/55/68/996825568.db2.gz YNHOUSXLSOBFGY-UHFFFAOYSA-N -1 0 326.352 3.028 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(C)c(Cl)c1 ZINC001599375826 998483497 /nfs/dbraw/zinc/48/34/97/998483497.db2.gz CGWUTMRRSCBHFD-UHFFFAOYSA-N -1 0 334.759 3.112 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc2c(s1)CCCC2 ZINC001599376328 998491693 /nfs/dbraw/zinc/49/16/93/998491693.db2.gz LIPOPRPYFNLYGV-UHFFFAOYSA-N -1 0 346.408 3.091 20 50 EGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C/C=C\c1ccc(C)cc1 ZINC001599376933 998502121 /nfs/dbraw/zinc/50/21/21/998502121.db2.gz GKMUXPUMCVHOIM-ARJAWSKDSA-N -1 0 340.379 3.248 20 50 EGGDRM C[C@@H]1CCC[C@@H](CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)[C@H]1C ZINC001594345492 999307746 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O=C([O-])[C@H]1CCC[C@@H](C(=O)NNc2c(Cl)cccc2Cl)C1 ZINC000833183873 602051444 /nfs/dbraw/zinc/05/14/44/602051444.db2.gz LKDAMTKDZMMWBS-BDAKNGLRSA-N -1 0 331.199 3.328 20 50 EGGDRM COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)C(=O)[O-])c1 ZINC000832515127 602389925 /nfs/dbraw/zinc/38/99/25/602389925.db2.gz MRMPQLCTJDDRFD-MDWZMJQESA-N -1 0 325.368 3.305 20 50 EGGDRM Cc1cc([C@@H](C)OC(=O)/C(C#N)=C/c2ccc(O)cc2)oc1C(=O)[O-] ZINC000832873866 604596528 /nfs/dbraw/zinc/59/65/28/604596528.db2.gz IRFYNIUHRKXZHX-KAQJVSAMSA-N -1 0 341.319 3.203 20 50 EGGDRM CC(C)[C@@H](Sc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833471360 604806812 /nfs/dbraw/zinc/80/68/12/604806812.db2.gz NSTMIKGOZMKICQ-OAHLLOKOSA-N -1 0 345.424 3.040 20 50 EGGDRM CCCc1c(C(=O)NNc2ccc(Cl)cc2)[nH]c(C)c1C(=O)[O-] ZINC000833653187 604948347 /nfs/dbraw/zinc/94/83/47/604948347.db2.gz PIGFUDJZYDZVQM-UHFFFAOYSA-N -1 0 335.791 3.384 20 50 EGGDRM CC(C)(C)CC(=O)NN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833422829 605064003 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Cc1cccc2[nH]c(C(C#N)=Cc3cc(-c4nnn[n-]4)cs3)nc21 ZINC000822331325 1428924453 /nfs/dbraw/zinc/92/44/53/1428924453.db2.gz DNCJIABHZYHSCQ-BJMVGYQFSA-N -1 0 333.380 3.177 20 50 EGGDRM Cc1cccc2[nH]c(C(C#N)=Cc3cccc(-c4nn[n-]n4)c3)nc21 ZINC000737404716 1425129778 /nfs/dbraw/zinc/12/97/78/1425129778.db2.gz DNRUJPJRMWFMPU-NTEUORMPSA-N -1 0 327.351 3.116 20 50 EGGDRM Cc1cccc2[nH]c(C(C#N)=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc21 ZINC000826304713 1430109350 /nfs/dbraw/zinc/10/93/50/1430109350.db2.gz VOZIGIKIPXPGEJ-KPKJPENVSA-N -1 0 345.341 3.255 20 50 EGGDRM O=C([O-])[C@H](C(=O)NNc1ccnc2cc(Cl)ccc21)C1CCCC1 ZINC001594836604 954031914 /nfs/dbraw/zinc/03/19/14/954031914.db2.gz ZHQSPWKJHPHURR-HNNXBMFYSA-N -1 0 347.802 3.222 20 50 EGGDRM Cc1ccc(NNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000818627315 955418448 /nfs/dbraw/zinc/41/84/48/955418448.db2.gz IYPIXXZMJUYPAE-LLVKDONJSA-N -1 0 327.812 3.021 20 50 EGGDRM Cc1cccc2cc(C(=O)NNc3ncccc3C(=O)[O-])sc21 ZINC001594413621 958973100 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EGGDRM O=C([O-])c1cc(OC(=O)c2ccc3ncsc3c2)ccc1[N+](=O)[O-] ZINC000740307105 978675036 /nfs/dbraw/zinc/67/50/36/978675036.db2.gz JOHLWRIDVJKJJG-UHFFFAOYSA-N -1 0 344.304 3.122 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000740308658 978675750 /nfs/dbraw/zinc/67/57/50/978675750.db2.gz YMKYXNFZGZATNI-UHFFFAOYSA-N -1 0 327.701 3.227 20 50 EGGDRM N#C/C(=C/c1ccc(OCCBr)c(Cl)c1)C(=O)[O-] ZINC000763114055 978720920 /nfs/dbraw/zinc/72/09/20/978720920.db2.gz MJNPUUJNHKURFA-UITAMQMPSA-N -1 0 330.565 3.105 20 50 EGGDRM Cc1occc1C(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794685309 978814983 /nfs/dbraw/zinc/81/49/83/978814983.db2.gz FMWGDGJUTOQTSC-IGVUGNCQSA-N -1 0 325.320 3.230 20 50 EGGDRM C[C@@H](CSc1ccccc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592830360 979554372 /nfs/dbraw/zinc/55/43/72/979554372.db2.gz PGSXXAUETALUFR-NSHDSACASA-N -1 0 348.399 3.395 20 50 EGGDRM CC[C@H](NC(=O)/C(C#N)=C\c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC001595228719 980088019 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CC(C)(C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC001589574653 987347285 /nfs/dbraw/zinc/34/72/85/987347285.db2.gz CMJONHUEPUXRTO-UHFFFAOYSA-N -1 0 346.814 3.388 20 50 EGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNc2cccc(Cl)n2)cc1 ZINC001589637771 987557194 /nfs/dbraw/zinc/55/71/94/987557194.db2.gz KHLZECSSNZELEO-UHFFFAOYSA-N -1 0 348.790 3.246 20 50 EGGDRM CC(C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccnc1 ZINC001590956823 991031896 /nfs/dbraw/zinc/03/18/96/991031896.db2.gz DZJJEARPGDUEKV-OAHLLOKOSA-N -1 0 347.802 3.316 20 50 EGGDRM CN(C)c1cccc(C(=O)NN=C2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC001598335296 991386723 /nfs/dbraw/zinc/38/67/23/991386723.db2.gz HOLYPPXZOCGIAX-AWEZNQCLSA-N -1 0 345.443 3.284 20 50 EGGDRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001591088423 991622102 /nfs/dbraw/zinc/62/21/02/991622102.db2.gz ISIMXLQGDBUAGO-JKSUJKDBSA-N -1 0 333.432 3.155 20 50 EGGDRM CS[C@@H](C(=O)NNc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001599781684 992372645 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CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595231680 980105830 /nfs/dbraw/zinc/10/58/30/980105830.db2.gz SUWKNHLPOCMZHT-RKCSUWQLSA-N -1 0 338.363 3.461 20 50 EGGDRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595354856 980696223 /nfs/dbraw/zinc/69/62/23/980696223.db2.gz GWBYHTFEJFXCRZ-KCXAZCMYSA-N -1 0 334.416 3.202 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908333211 981300431 /nfs/dbraw/zinc/30/04/31/981300431.db2.gz ONWDTEGMLNODQI-LLVKDONJSA-N -1 0 348.281 3.337 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908333212 981300452 /nfs/dbraw/zinc/30/04/52/981300452.db2.gz ONWDTEGMLNODQI-NSHDSACASA-N -1 0 348.281 3.337 20 50 EGGDRM CCCC(O)(CCC)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595604759 981590336 /nfs/dbraw/zinc/59/03/36/981590336.db2.gz QKHORYNCWBPVRX-UHFFFAOYSA-N -1 0 342.823 3.203 20 50 EGGDRM CCCc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)s1 ZINC001596060846 983370228 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O=C([O-])c1cc(OC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000833301373 601677158 /nfs/dbraw/zinc/67/71/58/601677158.db2.gz XOYOSBJZXWUDBN-GXTWGEPZSA-N -1 0 341.319 3.077 20 50 EGGDRM O=C([O-])c1cc(OC(=O)[C@@H]2C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000833301379 601677225 /nfs/dbraw/zinc/67/72/25/601677225.db2.gz XOYOSBJZXWUDBN-TZMCWYRMSA-N -1 0 341.319 3.077 20 50 EGGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)C1 ZINC000833184403 601758736 /nfs/dbraw/zinc/75/87/36/601758736.db2.gz QMXBMRXWSISLNK-RKDXNWHRSA-N -1 0 331.199 3.328 20 50 EGGDRM N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000833063948 601790530 /nfs/dbraw/zinc/79/05/30/601790530.db2.gz OGNSXTKPLYFQGK-BJMVGYQFSA-N -1 0 349.268 3.277 20 50 EGGDRM Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)nc21 ZINC000832983714 602113358 /nfs/dbraw/zinc/11/33/58/602113358.db2.gz FBAWWPLHEVBAAV-OJLMPMFISA-N -1 0 348.362 3.182 20 50 EGGDRM CCCc1c(C(=O)NNc2cc(C)ccc2C)[nH]c(C)c1C(=O)[O-] ZINC000833652471 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CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825638467 1425566907 /nfs/dbraw/zinc/56/69/07/1425566907.db2.gz LLROBLJDDYPWJX-YBEGLDIGSA-N -1 0 345.362 3.055 20 50 EGGDRM Cc1cccc(C(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826295702 1426044320 /nfs/dbraw/zinc/04/43/20/1426044320.db2.gz UJIWFFYDWXXXIW-XNTDXEJSSA-N -1 0 329.363 3.273 20 50 EGGDRM N#CC(=Cc1cc2ccccc2o1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379727 1428090321 /nfs/dbraw/zinc/09/03/21/1428090321.db2.gz ZUFGRCVDQOBDIJ-GDNBJRDFSA-N -1 0 341.330 3.403 20 50 EGGDRM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cccc(Cl)c1 ZINC000822796026 1443490538 /nfs/dbraw/zinc/49/05/38/1443490538.db2.gz KNLVBFDYRUQISM-BJMVGYQFSA-N -1 0 341.783 3.371 20 50 EGGDRM Cc1ccc(NC(=O)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826290914 1443602671 /nfs/dbraw/zinc/60/26/71/1443602671.db2.gz GRDWWULWKQMOLD-UHFFFAOYSA-N -1 0 349.807 3.039 20 50 EGGDRM Cc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822225194 1443783346 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Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)[O-])c(C)n1CCC(C)C ZINC000738231861 978504807 /nfs/dbraw/zinc/50/48/07/978504807.db2.gz VZTFBVSHNVRSBI-FSEGOYHTSA-N -1 0 332.400 3.074 20 50 EGGDRM O=C([O-])c1ccnc(NC(=O)CCCC[C@H]2CCSS2)c1 ZINC000739232067 978621880 /nfs/dbraw/zinc/62/18/80/978621880.db2.gz HWRPHNVSUUDSRN-NSHDSACASA-N -1 0 326.443 3.432 20 50 EGGDRM O=C([O-])Nc1ccc(CCNC(=O)NNc2ccccc2Cl)cc1 ZINC000740023969 978663284 /nfs/dbraw/zinc/66/32/84/978663284.db2.gz SFDJEIMKCXQGHC-UHFFFAOYSA-N -1 0 348.790 3.299 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000740088666 978667701 /nfs/dbraw/zinc/66/77/01/978667701.db2.gz SIMVOLLTJFPPBO-UHFFFAOYSA-N -1 0 338.275 3.060 20 50 EGGDRM CC[C@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001595149409 979634157 /nfs/dbraw/zinc/63/41/57/979634157.db2.gz DHWAZNXGUATPKJ-OAHLLOKOSA-N -1 0 341.411 3.134 20 50 EGGDRM CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595231678 980106100 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CCOC(=O)c1csc(/C(C#N)=C/c2cc(C(=O)[O-])c(CC)o2)n1 ZINC001596747193 985071494 /nfs/dbraw/zinc/07/14/94/985071494.db2.gz ULCIPIWBWAMGMP-WEVVVXLNSA-N -1 0 346.364 3.238 20 50 EGGDRM CCOCc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001596966425 986174608 /nfs/dbraw/zinc/17/46/08/986174608.db2.gz SKDXTBJHBGOQLG-UHFFFAOYSA-N -1 0 347.346 3.209 20 50 EGGDRM Cc1c2cc(F)ccc2oc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599982049 986177090 /nfs/dbraw/zinc/17/70/90/986177090.db2.gz IYPOJFIXLVRBRP-UHFFFAOYSA-N -1 0 346.289 3.475 20 50 EGGDRM C[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1cccc(Cl)c1 ZINC001589422373 986664727 /nfs/dbraw/zinc/66/47/27/986664727.db2.gz FNLDRXIKNCULEN-VIFPVBQESA-N -1 0 336.750 3.424 20 50 EGGDRM CCOc1ccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597120489 986812616 /nfs/dbraw/zinc/81/26/16/986812616.db2.gz UGMLATBDHZVYBH-UHFFFAOYSA-N -1 0 333.319 3.071 20 50 EGGDRM CC[C@@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001594737276 987279555 /nfs/dbraw/zinc/27/95/55/987279555.db2.gz SKWOWYNAIHXLOS-CYBMUJFWSA-N -1 0 334.322 3.300 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589700534 987792046 /nfs/dbraw/zinc/79/20/46/987792046.db2.gz YXVCCYWKSCLNRO-WDEREUQCSA-N -1 0 347.180 3.304 20 50 EGGDRM CCc1ccc(CCC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597523597 988160877 /nfs/dbraw/zinc/16/08/77/988160877.db2.gz YAYBGNGHHBSUDT-UHFFFAOYSA-N -1 0 330.359 3.162 20 50 EGGDRM CSSCCNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001599804538 988232722 /nfs/dbraw/zinc/23/27/22/988232722.db2.gz QHBYZPHGNQOPJN-UHFFFAOYSA-N -1 0 346.499 3.137 20 50 EGGDRM CC(C)[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C1 ZINC001591081871 991594982 /nfs/dbraw/zinc/59/49/82/991594982.db2.gz MERRDNDDYFQUIL-GDBMZVCRSA-N -1 0 333.432 3.155 20 50 EGGDRM CC1(C)C[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C(C)(C)O1 ZINC001593848050 996617522 /nfs/dbraw/zinc/61/75/22/996617522.db2.gz GQLGHCAEYKALKP-NSHDSACASA-N -1 0 340.807 3.075 20 50 EGGDRM C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000825705312 601147819 /nfs/dbraw/zinc/14/78/19/601147819.db2.gz BTLLGKKMUJYDDY-OLZOCXBDSA-N -1 0 333.340 3.120 20 50 EGGDRM C/C(=C/COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)C(=O)[O-] ZINC000825746384 601407462 /nfs/dbraw/zinc/40/74/62/601407462.db2.gz HKEJRUPVGIKIPD-WRIAKPNDSA-N -1 0 344.411 3.242 20 50 EGGDRM CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C)C(=O)[O-] ZINC000828906962 601753431 /nfs/dbraw/zinc/75/34/31/601753431.db2.gz NLDHKGOHWLINHK-RNIVLKNTSA-N -1 0 345.443 3.037 20 50 EGGDRM CC(C)C[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC000833473944 604806750 /nfs/dbraw/zinc/80/67/50/604806750.db2.gz JZDTZQUNFGJYOA-OAHLLOKOSA-N -1 0 327.384 3.053 20 50 EGGDRM CN(Cc1ccc(C(=O)[O-])cc1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1 ZINC000833696625 605048218 /nfs/dbraw/zinc/04/82/18/605048218.db2.gz OYQPKBOTDXDLHH-YVLHZVERSA-N -1 0 337.335 3.289 20 50 EGGDRM COc1ccc(NNC(=O)c2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000833733116 605244580 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Cc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737380506 1426300355 /nfs/dbraw/zinc/30/03/55/1426300355.db2.gz BLWVXXWPISCXKG-YBEGLDIGSA-N -1 0 329.363 3.273 20 50 EGGDRM CSc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826230312 1426799794 /nfs/dbraw/zinc/79/97/94/1426799794.db2.gz NIECYTZHWHDMNK-OQLLNIDSSA-N -1 0 347.403 3.378 20 50 EGGDRM O=C([O-])c1ccccc1CC(=O)NNc1cccc(C(F)(F)F)c1 ZINC001594709664 956866504 /nfs/dbraw/zinc/86/65/04/956866504.db2.gz FDQPLJLDNDECCN-UHFFFAOYSA-N -1 0 338.285 3.089 20 50 EGGDRM Cc1cccc(C(C)C)c1NNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001605322468 973163669 /nfs/dbraw/zinc/16/36/69/973163669.db2.gz YKSIFGKAPVLRPU-UHFFFAOYSA-N -1 0 328.372 3.360 20 50 EGGDRM O=C([O-])c1ccc(C(=O)NN=c2[nH]c3ccc(Cl)cc3s2)cc1 ZINC001606478773 973958666 /nfs/dbraw/zinc/95/86/66/973958666.db2.gz NFPCAONTOCEDHO-UHFFFAOYSA-N -1 0 347.783 3.405 20 50 EGGDRM CC(C)c1ccc(C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)cc1 ZINC001591942342 976468580 /nfs/dbraw/zinc/46/85/80/976468580.db2.gz PNPGLFHCVHXLSO-UHFFFAOYSA-N -1 0 347.440 3.017 20 50 EGGDRM C[C@](CC(=O)[O-])(NC(=O)CCCC[C@@H]1CCSS1)C1CC1 ZINC001592280230 977567604 /nfs/dbraw/zinc/56/76/04/977567604.db2.gz BQVLCGYTVPHQTK-IUODEOHRSA-N -1 0 331.503 3.460 20 50 EGGDRM C[C@H](CC(=O)[O-])CC(=O)NNc1ccc(Cl)c(Br)c1 ZINC001592392155 977942054 /nfs/dbraw/zinc/94/20/54/977942054.db2.gz ZTVOIEYSGHBGAD-ZETCQYMHSA-N -1 0 349.612 3.047 20 50 EGGDRM N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC000730588827 978297056 /nfs/dbraw/zinc/29/70/56/978297056.db2.gz HVZYDIPLZZSZJA-ZROIWOOFSA-N -1 0 325.295 3.079 20 50 EGGDRM C[C@H](CCc1ccccc1F)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592545706 978429599 /nfs/dbraw/zinc/42/95/99/978429599.db2.gz BALRSOQUBKAXNC-LLVKDONJSA-N -1 0 348.349 3.375 20 50 EGGDRM Cc1cccc([C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738691249 978588658 /nfs/dbraw/zinc/58/86/58/978588658.db2.gz NYRHIJWSLYYZRB-NSHDSACASA-N -1 0 329.308 3.311 20 50 EGGDRM O=C([O-])c1cc(OC(=O)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000739342317 978630843 /nfs/dbraw/zinc/63/08/43/978630843.db2.gz UXGZTAFLZUQYAJ-UHFFFAOYSA-N -1 0 335.699 3.095 20 50 EGGDRM O=C([O-])c1cc(OC(=O)c2coc3ccccc23)ccc1[N+](=O)[O-] ZINC000740088715 978667790 /nfs/dbraw/zinc/66/77/90/978667790.db2.gz WDKHSZXWWYBUJW-UHFFFAOYSA-N -1 0 327.248 3.258 20 50 EGGDRM C[C@H](Oc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1)C(=O)[O-] ZINC000794685491 978814586 /nfs/dbraw/zinc/81/45/86/978814586.db2.gz HNSMNVRAEZKHCN-WZMONFQBSA-N -1 0 347.374 3.489 20 50 EGGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1)C(=O)[O-] ZINC000794685355 978814590 /nfs/dbraw/zinc/81/45/90/978814590.db2.gz FUFDITHGUGYUQK-XTCQQWIJSA-N -1 0 339.322 3.467 20 50 EGGDRM C[C@@H]1C(=NNC(=O)Cc2ccc3ccccc3c2)CC[C@H]1CC(=O)[O-] ZINC000814807979 978886315 /nfs/dbraw/zinc/88/63/15/978886315.db2.gz STKJNRDQQCASJR-BBRMVZONSA-N -1 0 338.407 3.375 20 50 EGGDRM CC(C)(C)[C@@H](Br)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000841770774 979307849 /nfs/dbraw/zinc/30/78/49/979307849.db2.gz PXROKLNXAZUHPD-LBPRGKRZSA-N -1 0 340.217 3.084 20 50 EGGDRM CC[C@@H]1CCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595441902 981080920 /nfs/dbraw/zinc/08/09/20/981080920.db2.gz VKTVTZPTVGNTIA-NEPJUHHUSA-N -1 0 337.395 3.366 20 50 EGGDRM CC[C@H]1CCCC[C@@H]1CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595441907 981081196 /nfs/dbraw/zinc/08/11/96/981081196.db2.gz VKYPJZUCRNNVEN-NWDGAFQWSA-N -1 0 337.395 3.366 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000909845501 981670366 /nfs/dbraw/zinc/67/03/66/981670366.db2.gz CWINHBBCFPHDDJ-GFCCVEGCSA-N -1 0 346.196 3.201 20 50 EGGDRM O=C([O-])c1ccccc1C=NNC(=O)Cc1ccc2ccccc2c1 ZINC000915972467 982670443 /nfs/dbraw/zinc/67/04/43/982670443.db2.gz ODXMWGFVUIZJIW-UHFFFAOYSA-N -1 0 332.359 3.231 20 50 EGGDRM CCCOc1ccccc1NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595970118 983194881 /nfs/dbraw/zinc/19/48/81/983194881.db2.gz XDFNDGJUGFPUJU-UHFFFAOYSA-N -1 0 347.346 3.461 20 50 EGGDRM C/C(=C/C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1C ZINC001588942781 984637815 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CC[C@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001597336668 987475240 /nfs/dbraw/zinc/47/52/40/987475240.db2.gz RQHLAURVJKJAIK-HNNXBMFYSA-N -1 0 349.337 3.440 20 50 EGGDRM CC[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001597336950 987476190 /nfs/dbraw/zinc/47/61/90/987476190.db2.gz WUMNVVDASLLPKA-INIZCTEOSA-N -1 0 327.384 3.091 20 50 EGGDRM CC(C)(C)[C@H](Br)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001589699878 987788556 /nfs/dbraw/zinc/78/85/56/987788556.db2.gz SRWVXXRCDBJBRR-NWDGAFQWSA-N -1 0 348.281 3.193 20 50 EGGDRM CC(C)(C)[Si](C)(C)OCCNC(C)(C)c1nocc1C(=O)[O-] ZINC001590870936 990774222 /nfs/dbraw/zinc/77/42/22/990774222.db2.gz SNPFUDUIEMFEHB-UHFFFAOYSA-N -1 0 328.485 3.219 20 50 EGGDRM COc1cccc([C@@H](C)CC(=O)NNc2ccccc2C(=O)[O-])c1 ZINC001599654815 994561613 /nfs/dbraw/zinc/56/16/13/994561613.db2.gz CXCVRTXVNVNJBA-LBPRGKRZSA-N -1 0 328.368 3.030 20 50 EGGDRM C[C@@]1(C(=O)NNc2ccc(C(=O)[O-])cc2F)CCc2ccccc2C1 ZINC001593754859 996400007 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O=C([O-])[C@H]1CCC[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1 ZINC000833185830 600880158 /nfs/dbraw/zinc/88/01/58/600880158.db2.gz YXUHDKHBFVXMFV-UWVGGRQHSA-N -1 0 330.306 3.040 20 50 EGGDRM CCc1[nH]c(C(=O)NNc2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC000830197534 601123014 /nfs/dbraw/zinc/12/30/14/601123014.db2.gz WXFNVKDFQJYVMZ-UHFFFAOYSA-N -1 0 339.754 3.133 20 50 EGGDRM O=C([O-])[C@H](NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000833095668 601143407 /nfs/dbraw/zinc/14/34/07/601143407.db2.gz PYHPGPRHIOMKDI-XAPRQVHKSA-N -1 0 342.439 3.040 20 50 EGGDRM O=C([O-])[C@@H](NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000833095667 601143440 /nfs/dbraw/zinc/14/34/40/601143440.db2.gz PYHPGPRHIOMKDI-ITOSSNOYSA-N -1 0 342.439 3.040 20 50 EGGDRM N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000833063943 601444763 /nfs/dbraw/zinc/44/47/63/601444763.db2.gz OCZLQTQMLACEPY-RMKNXTFCSA-N -1 0 349.268 3.277 20 50 EGGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000833149250 601457739 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C=CCOc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833378106 605246583 /nfs/dbraw/zinc/24/65/83/605246583.db2.gz XIUCNQPYWQBSLO-UHFFFAOYSA-N -1 0 346.770 3.360 20 50 EGGDRM CC(C)(C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000833411310 605246688 /nfs/dbraw/zinc/24/66/88/605246688.db2.gz BWBIVCVLQDMCLQ-UHFFFAOYSA-N -1 0 332.787 3.459 20 50 EGGDRM C[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833612277 605247954 /nfs/dbraw/zinc/24/79/54/605247954.db2.gz NQWITGWEAGXQNS-HZMBPMFUSA-N -1 0 340.807 3.077 20 50 EGGDRM CC(C)(C(=O)NNc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000833411598 605281823 /nfs/dbraw/zinc/28/18/23/605281823.db2.gz JZZVKYGLUSORFI-UHFFFAOYSA-N -1 0 332.787 3.459 20 50 EGGDRM CC(C)(C)c1ncc(/C=C/C(=O)NNc2ccccc2C(=O)[O-])s1 ZINC000833450457 605283151 /nfs/dbraw/zinc/28/31/51/605283151.db2.gz CRANWKOIYXEUGX-CMDGGOBGSA-N -1 0 345.424 3.295 20 50 EGGDRM O=C([O-])c1ccccc1NNC(=O)Cc1csc2ccccc12 ZINC000833765751 605724437 /nfs/dbraw/zinc/72/44/37/605724437.db2.gz 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ZINC000819772630 1441559608 /nfs/dbraw/zinc/55/96/08/1441559608.db2.gz HSCAUDVUCVGLMA-GFCCVEGCSA-N -1 0 340.431 3.189 20 50 EGGDRM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cc2ccccc2o1 ZINC000822796030 1443218804 /nfs/dbraw/zinc/21/88/04/1443218804.db2.gz KNXFKJDEIWWYKD-VZUCSPMQSA-N -1 0 347.359 3.464 20 50 EGGDRM COc1ccc(C=C(C#N)c2nc(C)c(C)s2)cc1-c1nn[n-]n1 ZINC000737076769 1443420023 /nfs/dbraw/zinc/42/00/23/1443420023.db2.gz PCHYYHHWHQELPM-SDQBBNPISA-N -1 0 338.396 3.013 20 50 EGGDRM N#CC(C#N)=CNc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737672945 1447151483 /nfs/dbraw/zinc/15/14/83/1447151483.db2.gz SKJVXGCCCPPJND-UHFFFAOYSA-N -1 0 329.323 3.002 20 50 EGGDRM O=C([O-])c1cc(NC(=O)NNc2c(Cl)cccc2Cl)ccn1 ZINC001574578402 962087194 /nfs/dbraw/zinc/08/71/94/962087194.db2.gz GQWACPQAIDNXEE-UHFFFAOYSA-N -1 0 341.154 3.235 20 50 EGGDRM N#C/C(=C/c1ccc(Br)c(Br)c1)C(=O)[O-] ZINC000308775242 963301328 /nfs/dbraw/zinc/30/13/28/963301328.db2.gz UYSYELDRBGHUKC-CLTKARDFSA-N -1 0 330.963 3.203 20 50 EGGDRM CC(C)Oc1c(NC(=O)NNc2ccccc2F)cccc1C(=O)[O-] ZINC001591747351 975790977 /nfs/dbraw/zinc/79/09/77/975790977.db2.gz LLUFYSYFMHDIPJ-UHFFFAOYSA-N -1 0 347.346 3.460 20 50 EGGDRM C/C(=C/C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736122566 978303928 /nfs/dbraw/zinc/30/39/28/978303928.db2.gz XBMGLGOHMCQIIZ-NTMALXAHSA-N -1 0 345.282 3.441 20 50 EGGDRM C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1F ZINC000736224533 978311133 /nfs/dbraw/zinc/31/11/33/978311133.db2.gz RKPKJMTUFZOUBU-SECBINFHSA-N -1 0 333.271 3.141 20 50 EGGDRM CC(C)=C[C@@H]1[C@@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1(C)C ZINC000736343904 978321785 /nfs/dbraw/zinc/32/17/85/978321785.db2.gz SCSSBSVWMJQETN-OCCSQVGLSA-N -1 0 333.340 3.437 20 50 EGGDRM COc1ccc([C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737951498 978462677 /nfs/dbraw/zinc/46/26/77/978462677.db2.gz WDFNDIGFLJYBPJ-SNVBAGLBSA-N -1 0 345.307 3.011 20 50 EGGDRM O=C([O-])NCCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000739957534 978660687 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CCC(CC)(CNC(=O)NNc1cccc(C(=O)[O-])c1F)SC ZINC001595070413 979338733 /nfs/dbraw/zinc/33/87/33/979338733.db2.gz RYRCJBKOZQWILY-UHFFFAOYSA-N -1 0 343.424 3.072 20 50 EGGDRM CN(C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC000849178841 979486719 /nfs/dbraw/zinc/48/67/19/979486719.db2.gz HVSWTUTVZBEINA-LCYFTJDESA-N -1 0 330.359 3.222 20 50 EGGDRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595354857 980696130 /nfs/dbraw/zinc/69/61/30/980696130.db2.gz GWBYHTFEJFXCRZ-MAZHCROVSA-N -1 0 334.416 3.202 20 50 EGGDRM CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cc(C(=O)[O-])co1 ZINC001589012587 984993469 /nfs/dbraw/zinc/99/34/69/984993469.db2.gz UWJRBVZZPKPMLF-UHFFFAOYSA-N -1 0 341.150 3.439 20 50 EGGDRM CCO/C=C(\C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001596862082 985640674 /nfs/dbraw/zinc/64/06/74/985640674.db2.gz MQOKYTVJZPAIAW-GRNBYLDVSA-N -1 0 344.411 3.060 20 50 EGGDRM Cc1c2cc(F)ccc2oc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001599982150 986179431 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CSCCCCCCC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599797516 988121378 /nfs/dbraw/zinc/12/13/78/988121378.db2.gz NRFQXVKQXISBKY-UHFFFAOYSA-N -1 0 328.409 3.281 20 50 EGGDRM CSCc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001599802696 988203189 /nfs/dbraw/zinc/20/31/89/988203189.db2.gz VYIWOWNANZGKGX-UHFFFAOYSA-N -1 0 334.372 3.144 20 50 EGGDRM CSc1c(F)cccc1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001599806460 988263484 /nfs/dbraw/zinc/26/34/84/988263484.db2.gz XDFUOBLKCCJHKD-UHFFFAOYSA-N -1 0 334.372 3.311 20 50 EGGDRM CSc1ccc(NNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001599820543 988505597 /nfs/dbraw/zinc/50/55/97/988505597.db2.gz AMEXXPNRSODPDP-UHFFFAOYSA-N -1 0 337.445 3.070 20 50 EGGDRM CCc1nc(NC(=O)NNc2cccc(C(=O)[O-])c2C)sc1C ZINC001597680523 988808369 /nfs/dbraw/zinc/80/83/69/988808369.db2.gz PPRKPOVSLSPTIA-UHFFFAOYSA-N -1 0 334.401 3.169 20 50 EGGDRM CC(C)CCC(=O)NN[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591214061 992068648 /nfs/dbraw/zinc/06/86/48/992068648.db2.gz OEWXDMFCOZKLAX-CYBMUJFWSA-N -1 0 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O=C([O-])c1cc(OC(=O)Cc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000739341328 978630115 /nfs/dbraw/zinc/63/01/15/978630115.db2.gz KDWJDHNXNJTQBX-UHFFFAOYSA-N -1 0 341.275 3.187 20 50 EGGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1)C(=O)[O-] ZINC000794686865 978815564 /nfs/dbraw/zinc/81/55/64/978815564.db2.gz PCFFERQUGNHLKY-JMRXEAOASA-N -1 0 343.379 3.321 20 50 EGGDRM C[C@H]1C(=NNC(=O)c2cc3ccccc3cc2O)CC[C@H]1CC(=O)[O-] ZINC000814694346 978873305 /nfs/dbraw/zinc/87/33/05/978873305.db2.gz GRDKLHHHRHTWCO-NEPJUHHUSA-N -1 0 340.379 3.152 20 50 EGGDRM CC[C@H](C)c1ncc(NC(=O)NNc2cccc(C(=O)[O-])c2C)cn1 ZINC001595017935 979086471 /nfs/dbraw/zinc/08/64/71/979086471.db2.gz NGKCZEMYDUXLNR-JTQLQIEISA-N -1 0 343.387 3.145 20 50 EGGDRM CC[C@@H](C)n1ncc(C(=O)NNc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC001595023914 979120758 /nfs/dbraw/zinc/12/07/58/979120758.db2.gz NFRGNYFJSAJPGY-LLVKDONJSA-N -1 0 342.399 3.187 20 50 EGGDRM O=C([O-])CCCCNC(=O)NNc1c(Cl)cc(F)cc1Cl ZINC000840992882 979291501 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