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972656217 /nfs/dbraw/zinc/65/62/17/972656217.db2.gz WNFIYGNEBHKGRH-HOCLYGCPSA-N -1 0 339.392 -0.277 20 30 EBEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 ZINC001603355102 972796399 /nfs/dbraw/zinc/79/63/99/972796399.db2.gz NPJPDHMAECZVRZ-QWHCGFSZSA-N -1 0 336.392 -0.387 20 30 EBEDRM C[C@@H]1CN(c2nccnc2C#N)CCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001603471104 973343833 /nfs/dbraw/zinc/34/38/33/973343833.db2.gz WSECVKDLFSNNJK-DGCLKSJQSA-N -1 0 344.375 -0.456 20 30 EBEDRM CON(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)C(=O)[O-] ZINC001604657521 973812161 /nfs/dbraw/zinc/81/21/61/973812161.db2.gz RLTBVOIPWVTJRT-MRVPVSSYSA-N -1 0 341.345 -0.412 20 30 EBEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@@H]2CC3(CCC3)C(=O)O2)c1=O ZINC001605622937 973945897 /nfs/dbraw/zinc/94/58/97/973945897.db2.gz JXARFNDYLLZSPF-JTQLQIEISA-N -1 0 333.300 -0.548 20 30 EBEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001592221389 977398663 /nfs/dbraw/zinc/39/86/63/977398663.db2.gz 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329.334 -0.220 20 30 EBEDRM C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001588839494 984347847 /nfs/dbraw/zinc/34/78/47/984347847.db2.gz RRHLWYRYQZGFPA-UHFFFAOYSA-N -1 0 334.376 -0.217 20 30 EBEDRM C=CCNC(=O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001588844078 984355837 /nfs/dbraw/zinc/35/58/37/984355837.db2.gz ATJFWDXZJPCDHO-VIFPVBQESA-N -1 0 329.353 -0.227 20 30 EBEDRM C=CCOC[C@@H](NC(=O)Cc1c(C)nc2nc(N)nn2c1C)C(=O)[O-] ZINC001588856800 984401986 /nfs/dbraw/zinc/40/19/86/984401986.db2.gz QCFHAUVZJOKLAY-LLVKDONJSA-N -1 0 348.363 -0.362 20 30 EBEDRM C=CCOC[C@@H](NC(=O)c1nc(S(C)(=O)=O)ncc1C)C(=O)[O-] ZINC001588859983 984409672 /nfs/dbraw/zinc/40/96/72/984409672.db2.gz DPUOTFYZKCQSCE-SECBINFHSA-N -1 0 343.361 -0.426 20 30 EBEDRM C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)OC ZINC001588865929 984421157 /nfs/dbraw/zinc/42/11/57/984421157.db2.gz FGIOKTHWZQDSSC-SNVBAGLBSA-N -1 0 346.361 -0.254 20 30 EBEDRM C=CCOC[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC ZINC001588866889 984428899 /nfs/dbraw/zinc/42/88/99/984428899.db2.gz RUFQZKOIFLUDJT-QMMMGPOBSA-N -1 0 333.322 -0.870 20 30 EBEDRM C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)OC)n(C)c1)C(=O)[O-] ZINC001588867142 984430389 /nfs/dbraw/zinc/43/03/89/984430389.db2.gz TXXAPYZUQUEVFF-JTQLQIEISA-N -1 0 346.361 -0.254 20 30 EBEDRM C=CCn1c([C@H]2CNC(=O)C2)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001588896845 984505116 /nfs/dbraw/zinc/50/51/16/984505116.db2.gz FMSCKODLODBXJK-AXFHLTTASA-N -1 0 335.364 -0.254 20 30 EBEDRM C=CCn1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])nn1 ZINC001588909833 984545692 /nfs/dbraw/zinc/54/56/92/984545692.db2.gz BIPQKHMCUDFELW-SECBINFHSA-N -1 0 328.350 -0.822 20 30 EBEDRM C=CCn1cc(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001588910031 984546724 /nfs/dbraw/zinc/54/67/24/984546724.db2.gz HKCWIHNDGUYSSC-GHMZBOCLSA-N -1 0 335.364 -0.237 20 30 EBEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001588916569 984561762 /nfs/dbraw/zinc/56/17/62/984561762.db2.gz 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CC[C@@H]1COCCN1CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001362856644 1131696675 /nfs/dbraw/zinc/69/66/75/1131696675.db2.gz CDDIQCNLYMBUEG-CYBMUJFWSA-N -1 0 349.391 -0.562 20 30 EBEDRM COC[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)O1 ZINC001362933031 1131717353 /nfs/dbraw/zinc/71/73/53/1131717353.db2.gz CFRLMYMZWQBHKC-JQWIXIFHSA-N -1 0 336.348 -0.527 20 30 EBEDRM N#Cc1cn(CCNC(=O)COCc2cccnc2)c(=O)[n-]c1=O ZINC001363000896 1131740667 /nfs/dbraw/zinc/74/06/67/1131740667.db2.gz KVAJGKJRYUJONT-UHFFFAOYSA-N -1 0 329.316 -0.451 20 30 EBEDRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001363074383 1131772181 /nfs/dbraw/zinc/77/21/81/1131772181.db2.gz HIMRREZTQIGDCD-ZANVPECISA-N -1 0 347.375 -0.245 20 30 EBEDRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001363074077 1131772244 /nfs/dbraw/zinc/77/22/44/1131772244.db2.gz GHKCNMWDLXXBOB-WDEREUQCSA-N -1 0 332.316 -0.597 20 30 EBEDRM CC(=O)NCC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001363176830 1131816913 /nfs/dbraw/zinc/81/69/13/1131816913.db2.gz VKKMYZUPPOIJFQ-GFCCVEGCSA-N -1 0 347.375 -0.415 20 30 EBEDRM N#Cc1cn(CCC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c(=O)[n-]c1=O ZINC001363181905 1131818805 /nfs/dbraw/zinc/81/88/05/1131818805.db2.gz YVIMVHGFCSZNNW-CHWSQXEVSA-N -1 0 348.359 -0.383 20 30 EBEDRM N#Cc1cn(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c(=O)[n-]c1=O ZINC001363181907 1131818900 /nfs/dbraw/zinc/81/89/00/1131818900.db2.gz YVIMVHGFCSZNNW-OLZOCXBDSA-N -1 0 348.359 -0.383 20 30 EBEDRM N#Cc1cn(CCC(=O)N2CC[C@H](n3cccn3)C2)c(=O)[n-]c1=O ZINC001363375328 1131920930 /nfs/dbraw/zinc/92/09/30/1131920930.db2.gz SLQPKCYYVDVTOH-LBPRGKRZSA-N -1 0 328.332 -0.119 20 30 EBEDRM CCCn1cc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)nn1 ZINC001363378759 1131922405 /nfs/dbraw/zinc/92/24/05/1131922405.db2.gz UCQRXYUONBMMMM-UHFFFAOYSA-N -1 0 331.336 -0.471 20 30 EBEDRM CN(C)C(=O)[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001363446012 1131953553 /nfs/dbraw/zinc/95/35/53/1131953553.db2.gz SLXXZAVWTKYTAX-SNVBAGLBSA-N 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PZGXEVQXYWPVGG-LLVKDONJSA-N -1 0 345.363 -0.347 20 30 EBEDRM COC(=O)c1cccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1 ZINC001364285379 1132262816 /nfs/dbraw/zinc/26/28/16/1132262816.db2.gz JTYXINGAIDVPMF-UHFFFAOYSA-N -1 0 328.284 -0.166 20 30 EBEDRM COc1cn(C)nc1[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001364299084 1132266842 /nfs/dbraw/zinc/26/68/42/1132266842.db2.gz XOAJVPFVBNQPBS-MRVPVSSYSA-N -1 0 332.320 -0.560 20 30 EBEDRM C[C@H]1C[C@@H](NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C(=O)O1 ZINC001364337061 1132281841 /nfs/dbraw/zinc/28/18/41/1132281841.db2.gz DRZFQWMWCYQDLF-OIBJUYFYSA-N -1 0 333.304 -0.909 20 30 EBEDRM N#Cc1cn(CC(=O)NC2(c3ccccc3)COC2)c(=O)[n-]c1=O ZINC001364369722 1132296987 /nfs/dbraw/zinc/29/69/87/1132296987.db2.gz BUIBRUOGLHOJGZ-UHFFFAOYSA-N -1 0 326.312 -0.138 20 30 EBEDRM N#Cc1cn(CC(=O)N2CCC(O)(C3CCC3)CC2)c(=O)[n-]c1=O ZINC001364392594 1132303564 /nfs/dbraw/zinc/30/35/64/1132303564.db2.gz DPYVXHTUSUBRAB-UHFFFAOYSA-N -1 0 332.360 -0.026 20 30 EBEDRM N#Cc1cn(C2CN(C(=O)[C@@H](O)c3ccccc3)C2)c(=O)[n-]c1=O ZINC001365145278 1132559895 /nfs/dbraw/zinc/55/98/95/1132559895.db2.gz BKADBZDVICCPHF-ZDUSSCGKSA-N -1 0 326.312 -0.063 20 30 EBEDRM CC(C)CN1C[C@H]2CN(c3[n-]c(=O)n(C)c(=O)c3C#N)CCN2C1=O ZINC001365226125 1132584011 /nfs/dbraw/zinc/58/40/11/1132584011.db2.gz BIOYLUUGMBEENL-LLVKDONJSA-N -1 0 346.391 -0.473 20 30 EBEDRM Cn1c(=O)[n-]c(NC[C@H](N2CCOCC2)C(F)(F)F)c(C#N)c1=O ZINC001365227766 1132585323 /nfs/dbraw/zinc/58/53/23/1132585323.db2.gz SIVHAUOUQFFUOS-VIFPVBQESA-N -1 0 347.297 -0.380 20 30 EBEDRM COc1cnc([C@H]2CCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)[nH]c1=O ZINC001365241339 1132589259 /nfs/dbraw/zinc/58/92/59/1132589259.db2.gz GKKJIDIKPNLHAO-SECBINFHSA-N -1 0 344.331 -0.209 20 30 EBEDRM N#Cc1cn(CCNC(=O)N[C@@H]2COC3(CCC3)C2)c(=O)[n-]c1=O ZINC001365429511 1132668815 /nfs/dbraw/zinc/66/88/15/1132668815.db2.gz BGWSFWKWIOZLJD-NSHDSACASA-N -1 0 333.348 -0.169 20 30 EBEDRM COCCC1(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001368744918 1134416127 /nfs/dbraw/zinc/41/61/27/1134416127.db2.gz ZVCZRCSAAXJGOF-UHFFFAOYSA-N -1 0 335.364 -0.064 20 30 EBEDRM COC(=O)[C@H]1C[C@H](NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1 ZINC001371810417 1136025282 /nfs/dbraw/zinc/02/52/82/1136025282.db2.gz VXHYYEASWGSUKR-CZMCAQCFSA-N -1 0 347.331 -0.662 20 30 EBEDRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000048558858 376487005 /nfs/dbraw/zinc/48/70/05/376487005.db2.gz LDLRHRHDYPPEEF-UHFFFAOYSA-N -1 0 332.338 -0.533 20 30 EBEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000340044634 376680524 /nfs/dbraw/zinc/68/05/24/376680524.db2.gz JROYEAHGPYAGCZ-UHFFFAOYSA-N -1 0 339.289 -0.336 20 30 EBEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000565057054 376893627 /nfs/dbraw/zinc/89/36/27/376893627.db2.gz ATUAEJSNJLWCPB-KOLCDFICSA-N -1 0 329.382 -0.138 20 30 EBEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC000570933862 377303710 /nfs/dbraw/zinc/30/37/10/377303710.db2.gz ZUGXFMGWJMUQBJ-VHSXEESVSA-N -1 0 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N#C[C@@H]1CN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCN1C1CC1 ZINC001605582908 973868541 /nfs/dbraw/zinc/86/85/41/973868541.db2.gz JCLWOCVVQRUEDP-OLZOCXBDSA-N -1 0 334.376 -0.492 20 30 EBEDRM N#CCOc1cccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC001605585486 973876484 /nfs/dbraw/zinc/87/64/84/973876484.db2.gz CMSFNCFXZULVMO-UHFFFAOYSA-N -1 0 331.328 -0.113 20 30 EBEDRM CCCn1c(C)nnc1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001603699120 974096801 /nfs/dbraw/zinc/09/68/01/974096801.db2.gz YRVMWWZAQLAGNZ-UHFFFAOYSA-N -1 0 332.320 -0.676 20 30 EBEDRM C#C[C@H](NC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)[C@H]1CCCO1 ZINC001588371241 983325903 /nfs/dbraw/zinc/32/59/03/983325903.db2.gz ZXBQOQNZSJUZQS-QTJJRWQNSA-N -1 0 334.372 -0.101 20 30 EBEDRM C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001588384120 983386949 /nfs/dbraw/zinc/38/69/49/983386949.db2.gz VXPPXVZKOXEJPA-LLVKDONJSA-N -1 0 334.332 -0.498 20 30 EBEDRM C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001588384173 983387395 /nfs/dbraw/zinc/38/73/95/983387395.db2.gz XZVUQQBFFGUPNN-GFCCVEGCSA-N -1 0 346.339 -0.130 20 30 EBEDRM C#CC[C@@H](COC)NC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001588393464 983398379 /nfs/dbraw/zinc/39/83/79/983398379.db2.gz FZEKVJICAAMJFO-NSHDSACASA-N -1 0 335.360 -0.198 20 30 EBEDRM C#CC[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001588398896 983414343 /nfs/dbraw/zinc/41/43/43/983414343.db2.gz NWKWJEVMLRQGCF-WCQYABFASA-N -1 0 346.318 -0.162 20 30 EBEDRM C#CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001588399960 983417382 /nfs/dbraw/zinc/41/73/82/983417382.db2.gz ZNENWKRHNVOEAS-MFKMUULPSA-N -1 0 349.368 -0.182 20 30 EBEDRM C#CC[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC001588404354 983417433 /nfs/dbraw/zinc/41/74/33/983417433.db2.gz ALPYCVDENFRZCB-LLVKDONJSA-N -1 0 349.368 -0.292 20 30 EBEDRM C#CC[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)C(=O)[O-] ZINC001588399984 983417444 /nfs/dbraw/zinc/41/74/44/983417444.db2.gz 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C=C(C)C[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001588542539 983608755 /nfs/dbraw/zinc/60/87/55/983608755.db2.gz KSXOWGRZYUFSMW-SNVBAGLBSA-N -1 0 330.366 -0.544 20 30 EBEDRM CCN(C[C@@H](C)C#N)C(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC001596230254 983624593 /nfs/dbraw/zinc/62/45/93/983624593.db2.gz YEGSEAOAXZDYKT-AWEZNQCLSA-N -1 0 340.424 -0.287 20 30 EBEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001596231454 983626511 /nfs/dbraw/zinc/62/65/11/983626511.db2.gz OACUAVSRSKRODL-MNOVXSKESA-N -1 0 346.409 -0.622 20 30 EBEDRM C=C(C)COCCNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001588570271 983651180 /nfs/dbraw/zinc/65/11/80/983651180.db2.gz WFSLOBDIDJYALJ-GFCCVEGCSA-N -1 0 328.365 -0.621 20 30 EBEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588789348 984198431 /nfs/dbraw/zinc/19/84/31/984198431.db2.gz BHWFTTBSCZQRHW-MNOVXSKESA-N -1 0 333.410 -0.172 20 30 EBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)[O-])CC(C)C)C1=O ZINC001588832206 984319974 /nfs/dbraw/zinc/31/99/74/984319974.db2.gz HIPHLNDCGWUMMK-UHFFFAOYSA-N -1 0 325.321 -0.468 20 30 EBEDRM C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CC(=O)[O-])n2)C1=O ZINC001588832581 984323537 /nfs/dbraw/zinc/32/35/37/984323537.db2.gz SJZNTDBLYIFCGZ-UHFFFAOYSA-N -1 0 346.299 -0.376 20 30 EBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)C1=O ZINC001588832861 984326494 /nfs/dbraw/zinc/32/64/94/984326494.db2.gz ZMTFTIVDCSNGTR-UHFFFAOYSA-N -1 0 349.343 -0.039 20 30 EBEDRM C=CCN1CC[C@H](N(C)C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1=O ZINC001588836925 984331096 /nfs/dbraw/zinc/33/10/96/984331096.db2.gz MVQSVYLFDODAJF-RYUDHWBXSA-N -1 0 337.376 -0.445 20 30 EBEDRM C=CCOC[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-] ZINC001588854042 984388985 /nfs/dbraw/zinc/38/89/85/984388985.db2.gz OYWXGLRVKILLTK-TUAOUCFPSA-N -1 0 338.360 -0.066 20 30 EBEDRM C=CCOC[C@H](NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)[O-] ZINC001588860130 984410581 /nfs/dbraw/zinc/41/05/81/984410581.db2.gz JXGXPRPUTQYYME-NSHDSACASA-N -1 0 334.332 -0.342 20 30 EBEDRM C=CCOC[C@H](NS(=O)(=O)c1cccnc1C(=O)[O-])C(=O)OC ZINC001588866874 984428464 /nfs/dbraw/zinc/42/84/64/984428464.db2.gz RVLLGBBCPHXNDM-VIFPVBQESA-N -1 0 344.345 -0.198 20 30 EBEDRM C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001588896641 984502971 /nfs/dbraw/zinc/50/29/71/984502971.db2.gz DBMVYEUGVOUCOZ-QWRGUYRKSA-N -1 0 335.364 -0.253 20 30 EBEDRM C=CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001588910036 984546410 /nfs/dbraw/zinc/54/64/10/984546410.db2.gz HKMDUWGNVJZMBG-GHMZBOCLSA-N -1 0 333.348 -0.531 20 30 EBEDRM C=CCn1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001588910039 984546656 /nfs/dbraw/zinc/54/66/56/984546656.db2.gz HKMDUWGNVJZMBG-WDEREUQCSA-N -1 0 333.348 -0.531 20 30 EBEDRM C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589331078 986182929 /nfs/dbraw/zinc/18/29/29/986182929.db2.gz ZOOLKUJHIHBXJC-ZJUUUORDSA-N -1 0 342.381 -0.441 20 30 EBEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589331076 986183023 /nfs/dbraw/zinc/18/30/23/986183023.db2.gz ZOOLKUJHIHBXJC-UWVGGRQHSA-N -1 0 342.381 -0.441 20 30 EBEDRM C[C@H](C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)n1cnc(C#N)n1 ZINC001589355940 986331369 /nfs/dbraw/zinc/33/13/69/986331369.db2.gz BLWBPXZDUWCUAC-NXEZZACHSA-N -1 0 344.335 -0.136 20 30 EBEDRM C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C(=O)[O-])O1 ZINC001599865812 989254298 /nfs/dbraw/zinc/25/42/98/989254298.db2.gz QFPBDXVIRNORSX-PWSUYJOCSA-N -1 0 339.373 -0.099 20 30 EBEDRM CC(C)[C@@](C)(C#N)NC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001590961324 991057958 /nfs/dbraw/zinc/05/79/58/991057958.db2.gz OXSLKRJULHKSDO-CYBMUJFWSA-N -1 0 345.421 -0.338 20 30 EBEDRM CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(CC#N)cc2)CC1=O ZINC001598565385 993137481 /nfs/dbraw/zinc/13/74/81/993137481.db2.gz DTVHNKKLJUCTGK-LBPRGKRZSA-N -1 0 337.357 -0.331 20 30 EBEDRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001598695781 995134725 /nfs/dbraw/zinc/13/47/25/995134725.db2.gz ZOMUWZVWSBTJBI-SNVBAGLBSA-N -1 0 330.293 -0.008 20 30 EBEDRM C[C@]1(C#N)CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CCO1 ZINC001593742546 996360489 /nfs/dbraw/zinc/36/04/89/996360489.db2.gz BCSTVIHZSYYCMR-NHYWBVRUSA-N -1 0 335.360 -0.159 20 30 EBEDRM COC(=O)[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)C[C@H]1C(=O)[O-] ZINC001598826204 996385664 /nfs/dbraw/zinc/38/56/64/996385664.db2.gz MYVXFAJCITUFLV-NXEZZACHSA-N -1 0 330.362 -0.184 20 30 EBEDRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C(=O)[O-] ZINC001598828785 996413343 /nfs/dbraw/zinc/41/33/43/996413343.db2.gz XYZPNQAXQOQUHX-UWVGGRQHSA-N -1 0 339.329 -0.552 20 30 EBEDRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001598862910 996690047 /nfs/dbraw/zinc/69/00/47/996690047.db2.gz SKLOVIKPDHXYDT-UHFFFAOYSA-N -1 0 330.293 -0.054 20 30 EBEDRM COCCN(CCC#N)S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001599235595 997938700 /nfs/dbraw/zinc/93/87/00/997938700.db2.gz FSSRJVXCLUCJNG-UHFFFAOYSA-N -1 0 335.382 -0.995 20 30 EBEDRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1CC#Cc1ccccc1 ZINC001670714589 1125815062 /nfs/dbraw/zinc/81/50/62/1125815062.db2.gz SHFKMEZRNYVNHH-CQSZACIVSA-N -1 0 341.371 -0.069 20 30 EBEDRM CC#CCCCC(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001687301091 1125824187 /nfs/dbraw/zinc/82/41/87/1125824187.db2.gz SCJCYMXJNAIZQA-UHFFFAOYSA-N -1 0 349.391 -0.010 20 30 EBEDRM C#CCCCC(=O)N1CC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001358621611 1131234003 /nfs/dbraw/zinc/23/40/03/1131234003.db2.gz UOBJJKRMDGCFNE-LLVKDONJSA-N -1 0 347.375 -0.264 20 30 EBEDRM N#CCSCC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001484773501 1126630897 /nfs/dbraw/zinc/63/08/97/1126630897.db2.gz KXGVMNAKJRHKIS-UHFFFAOYSA-N -1 0 338.393 -0.820 20 30 EBEDRM C=CCN1CC2(C1)C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)CO2 ZINC001484799178 1126633698 /nfs/dbraw/zinc/63/36/98/1126633698.db2.gz IGLKSYOYSVSXBL-NSHDSACASA-N -1 0 337.380 -0.385 20 30 EBEDRM C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001486980526 1127354796 /nfs/dbraw/zinc/35/47/96/1127354796.db2.gz JOFQBLTUCDVGNZ-NXEZZACHSA-N -1 0 345.363 -0.806 20 30 EBEDRM C#CCC1(C(=O)N[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])CCC1 ZINC001487978270 1128474030 /nfs/dbraw/zinc/47/40/30/1128474030.db2.gz PCTZROBBXDBRTA-LLVKDONJSA-N -1 0 334.376 -0.176 20 30 EBEDRM C#CCOCCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001488201163 1128650159 /nfs/dbraw/zinc/65/01/59/1128650159.db2.gz PEQLCDAYMWLJPZ-UWVGGRQHSA-N -1 0 349.347 -0.958 20 30 EBEDRM O=C(C#CC1CC1)N[C@@H]1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001488294223 1128663366 /nfs/dbraw/zinc/66/33/66/1128663366.db2.gz ISONRMJQQQZKCC-GHMZBOCLSA-N -1 0 345.359 -0.289 20 30 EBEDRM C#CCCCC(=O)N1CCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001488835090 1128873121 /nfs/dbraw/zinc/87/31/21/1128873121.db2.gz NYZVTRSXUOFLMF-UHFFFAOYSA-N -1 0 347.375 -0.446 20 30 EBEDRM C#CCN(C(=O)CC)C1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001358753993 1131277180 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