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238.309 -0.255 20 30 BBEDRN CO[C@H](C)C(N)=NOCCCS(C)(=O)=O ZINC000154628422 642165001 /nfs/dbraw/zinc/16/50/01/642165001.db2.gz NQQYMIMGJCDCHI-SSDOTTSWSA-N 0 0 238.309 -0.255 20 30 BBEDRN C#CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000154633628 384648726 /nfs/dbraw/zinc/64/87/26/384648726.db2.gz LUCZVYFYVDJSSF-MRVPVSSYSA-N 0 0 246.332 -0.300 20 30 BBEDRN C#CCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000154633713 187295490 /nfs/dbraw/zinc/29/54/90/187295490.db2.gz LUCZVYFYVDJSSF-QMMMGPOBSA-N 0 0 246.332 -0.300 20 30 BBEDRN NC(=O)CON=C(N)COc1ccc(F)cc1 ZINC000154696327 642185700 /nfs/dbraw/zinc/18/57/00/642185700.db2.gz XOKWWFAWOBVCBF-UHFFFAOYSA-N 0 0 241.222 -0.021 20 30 BBEDRN C#CCSCCNC(=O)NCCNC(C)=O ZINC000154805695 187295380 /nfs/dbraw/zinc/29/53/80/187295380.db2.gz FJFCTTFAGIXYQW-UHFFFAOYSA-N 0 0 243.332 -0.212 20 30 BBEDRN C=CCN(C)C(=O)NCCN1C(=O)CCC1=O ZINC000154831884 166315426 /nfs/dbraw/zinc/31/54/26/166315426.db2.gz UZGBCYVKGAEMCB-UHFFFAOYSA-N 0 0 239.275 -0.037 20 30 BBEDRN 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CCn1cc(C#N)c(=O)n(C[C@H](C)CO)c1=O ZINC000154945946 371186082 /nfs/dbraw/zinc/18/60/82/371186082.db2.gz WWLNPKFORIOOFC-QMMMGPOBSA-N 0 0 237.259 -0.470 20 30 BBEDRN C[C@H](CO)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000154957878 371186066 /nfs/dbraw/zinc/18/60/66/371186066.db2.gz ZPDAZXKDVXDTMX-ZETCQYMHSA-N 0 0 223.232 -0.953 20 30 BBEDRN C[C@@H](CO)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000154957991 371186349 /nfs/dbraw/zinc/18/63/49/371186349.db2.gz ZPDAZXKDVXDTMX-SSDOTTSWSA-N 0 0 223.232 -0.953 20 30 BBEDRN C=CCN(C)Cn1nnc2c(cnn2C)c1=O ZINC000154958269 642329977 /nfs/dbraw/zinc/32/99/77/642329977.db2.gz UUEGNAQLKUOVNQ-UHFFFAOYSA-N 0 0 234.263 -0.400 20 30 BBEDRN C#CCCCCNC(=O)N1CCNC(=O)C1 ZINC000154985078 166124463 /nfs/dbraw/zinc/12/44/63/166124463.db2.gz XWWXXERDVHNLKT-UHFFFAOYSA-N 0 0 223.276 -0.069 20 30 BBEDRN C=CCN(C)CN1C(=O)C(=O)N(C)C1=O ZINC000154988344 642343715 /nfs/dbraw/zinc/34/37/15/642343715.db2.gz PLPGJWIUQPMHIQ-UHFFFAOYSA-N 0 0 211.221 -0.518 20 30 BBEDRN C=CCN(C)Cn1nc2cnccn2c1=O ZINC000154990496 642347563 /nfs/dbraw/zinc/34/75/63/642347563.db2.gz NYWHVQZNWCJDDT-UHFFFAOYSA-N 0 0 219.248 -0.034 20 30 BBEDRN CC#CCCN1CCNC(=O)[C@@H]1CC(=O)OC ZINC000155026277 191080239 /nfs/dbraw/zinc/08/02/39/191080239.db2.gz RKIUVPZLYLZSTA-JTQLQIEISA-N 0 0 238.287 -0.237 20 30 BBEDRN CC#CCCN1CCNC(=O)[C@H]1CC(=O)OC ZINC000155026387 384690295 /nfs/dbraw/zinc/69/02/95/384690295.db2.gz RKIUVPZLYLZSTA-SNVBAGLBSA-N 0 0 238.287 -0.237 20 30 BBEDRN C=CCCOCCNC(=O)Cn1cnnn1 ZINC000155041808 166269047 /nfs/dbraw/zinc/26/90/47/166269047.db2.gz OOZJNLLYSPIVRP-UHFFFAOYSA-N 0 0 225.252 -0.618 20 30 BBEDRN CC#CCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000155063175 384691905 /nfs/dbraw/zinc/69/19/05/384691905.db2.gz UJZQCIDNYOZQRP-UHFFFAOYSA-N 0 0 246.270 -0.153 20 30 BBEDRN C=CCCOCCNC(=O)CNC(C)=O ZINC000155094139 166269825 /nfs/dbraw/zinc/26/98/25/166269825.db2.gz ZSZPGJRQSXPKPU-UHFFFAOYSA-N 0 0 214.265 -0.169 20 30 BBEDRN C=CCCOCCNC(=O)CSCC(N)=O ZINC000155267707 166269108 /nfs/dbraw/zinc/26/91/08/166269108.db2.gz OHFHLCUADUKZIU-UHFFFAOYSA-N 0 0 246.332 -0.086 20 30 BBEDRN CC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000155331154 326192667 /nfs/dbraw/zinc/19/26/67/326192667.db2.gz NRVPKTXTPOVILX-UHFFFAOYSA-N 0 0 232.243 -0.153 20 30 BBEDRN C=CCCOCCNC(=O)[C@H](C)NC(N)=O ZINC000155408598 166270764 /nfs/dbraw/zinc/27/07/64/166270764.db2.gz GKMCOWHBYHGHGC-QMMMGPOBSA-N 0 0 229.280 -0.248 20 30 BBEDRN C=CCCOCCNC(=O)[C@@H](C)NC(N)=O ZINC000155408706 166269527 /nfs/dbraw/zinc/26/95/27/166269527.db2.gz GKMCOWHBYHGHGC-MRVPVSSYSA-N 0 0 229.280 -0.248 20 30 BBEDRN C=CCN(C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000155461817 166317696 /nfs/dbraw/zinc/31/76/96/166317696.db2.gz PKKVJVFGLUXCOM-DTWKUNHWSA-N 0 0 241.291 -0.153 20 30 BBEDRN C=CCN(C)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000155461909 166316615 /nfs/dbraw/zinc/31/66/15/166316615.db2.gz PKKVJVFGLUXCOM-RKDXNWHRSA-N 0 0 241.291 -0.153 20 30 BBEDRN C=CCN(C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000155462023 166316939 /nfs/dbraw/zinc/31/69/39/166316939.db2.gz PKKVJVFGLUXCOM-IUCAKERBSA-N 0 0 241.291 -0.153 20 30 BBEDRN C=CCN(C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000155462132 166316770 /nfs/dbraw/zinc/31/67/70/166316770.db2.gz PKKVJVFGLUXCOM-BDAKNGLRSA-N 0 0 241.291 -0.153 20 30 BBEDRN C#CCNC(=O)c1nc(C)c(C)[nH]c1=O ZINC000155505000 326198236 /nfs/dbraw/zinc/19/82/36/326198236.db2.gz KLJWIFSHWITZJF-UHFFFAOYSA-N 0 0 205.217 -0.250 20 30 BBEDRN CCN(CC)S(=O)(=O)CC(=O)NCC#N ZINC000155526333 345084935 /nfs/dbraw/zinc/08/49/35/345084935.db2.gz LUJGNMZUSJYNMN-UHFFFAOYSA-N 0 0 233.293 -0.702 20 30 BBEDRN C=CCNC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155600637 166366877 /nfs/dbraw/zinc/36/68/77/166366877.db2.gz ZWYJMGFBPVBKLI-SECBINFHSA-N 0 0 246.332 -0.593 20 30 BBEDRN C=CCNC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000155600754 166366197 /nfs/dbraw/zinc/36/61/97/166366197.db2.gz ZWYJMGFBPVBKLI-VIFPVBQESA-N 0 0 246.332 -0.593 20 30 BBEDRN CC#CCCN1CCN(S(N)(=O)=O)CC1 ZINC000155659907 384747625 /nfs/dbraw/zinc/74/76/25/384747625.db2.gz MMMKFQRNMNXUEJ-UHFFFAOYSA-N 0 0 231.321 -0.779 20 30 BBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1CCO ZINC000155666924 388767480 /nfs/dbraw/zinc/76/74/80/388767480.db2.gz JQKNODQDTVQPDZ-SNVBAGLBSA-N 0 0 247.302 -0.149 20 30 BBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1CCO ZINC000155667045 384658317 /nfs/dbraw/zinc/65/83/17/384658317.db2.gz JQKNODQDTVQPDZ-JTQLQIEISA-N 0 0 247.302 -0.149 20 30 BBEDRN CNS(=O)(=O)[C@@H]1CCN(CCC#N)C1 ZINC000155698824 371283259 /nfs/dbraw/zinc/28/32/59/371283259.db2.gz GRYNNXGFIUZBPB-MRVPVSSYSA-N 0 0 217.294 -0.476 20 30 BBEDRN CNS(=O)(=O)[C@H]1CCN(CCC#N)C1 ZINC000155698930 371283434 /nfs/dbraw/zinc/28/34/34/371283434.db2.gz GRYNNXGFIUZBPB-QMMMGPOBSA-N 0 0 217.294 -0.476 20 30 BBEDRN C=CCN(C)C(=O)NCC(=O)N1CCOCC1 ZINC000155734889 166314252 /nfs/dbraw/zinc/31/42/52/166314252.db2.gz AEPYWGQFVGVAHW-UHFFFAOYSA-N 0 0 241.291 -0.327 20 30 BBEDRN C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H](C)CC#N ZINC000155805387 345105312 /nfs/dbraw/zinc/10/53/12/345105312.db2.gz HKVYLUQRSORQHJ-JGVFFNPUSA-N 0 0 247.320 -0.315 20 30 BBEDRN C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@H](C)CC#N ZINC000155805513 345105323 /nfs/dbraw/zinc/10/53/23/345105323.db2.gz HKVYLUQRSORQHJ-HTQZYQBOSA-N 0 0 247.320 -0.315 20 30 BBEDRN C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@@H](C)CC#N ZINC000155805609 345105491 /nfs/dbraw/zinc/10/54/91/345105491.db2.gz HKVYLUQRSORQHJ-YUMQZZPRSA-N 0 0 247.320 -0.315 20 30 BBEDRN C[C@H](CC#N)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000155805722 134816902 /nfs/dbraw/zinc/81/69/02/134816902.db2.gz HKVYLUQRSORQHJ-SFYZADRCSA-N 0 0 247.320 -0.315 20 30 BBEDRN CNS(=O)(=O)[C@@H]1CCN(CCCC#N)C1 ZINC000155812511 345106750 /nfs/dbraw/zinc/10/67/50/345106750.db2.gz YNJYDCPRUZFMCQ-SECBINFHSA-N 0 0 231.321 -0.086 20 30 BBEDRN CNS(=O)(=O)[C@H]1CCN(CCCC#N)C1 ZINC000155812625 345106854 /nfs/dbraw/zinc/10/68/54/345106854.db2.gz YNJYDCPRUZFMCQ-VIFPVBQESA-N 0 0 231.321 -0.086 20 30 BBEDRN CC(C)(C)n1ncn(CC(=O)NCC#N)c1=O ZINC000155855341 345108565 /nfs/dbraw/zinc/10/85/65/345108565.db2.gz ZQZDUHGGLRKKOA-UHFFFAOYSA-N 0 0 237.263 -0.560 20 30 BBEDRN C=CCNC(=O)NC(=O)CSc1cn[nH]n1 ZINC000155866782 326213507 /nfs/dbraw/zinc/21/35/07/326213507.db2.gz MDXNIZSBCCNHGS-UHFFFAOYSA-N 0 0 241.276 -0.091 20 30 BBEDRN C=C[C@H](C)NC(=O)CN(C)S(=O)(=O)CC ZINC000155882749 345110202 /nfs/dbraw/zinc/11/02/02/345110202.db2.gz MDIWKCJZGPXBRP-QMMMGPOBSA-N 0 0 234.321 -0.041 20 30 BBEDRN C=C[C@@H](C)NC(=O)CN(C)S(=O)(=O)CC ZINC000155882870 345109784 /nfs/dbraw/zinc/10/97/84/345109784.db2.gz MDIWKCJZGPXBRP-MRVPVSSYSA-N 0 0 234.321 -0.041 20 30 BBEDRN C#CCNC(=O)Cn1cnn(C(C)(C)C)c1=O ZINC000155907211 632118773 /nfs/dbraw/zinc/11/87/73/632118773.db2.gz SYYUYDONNKJTMJ-UHFFFAOYSA-N 0 0 236.275 -0.451 20 30 BBEDRN CC#CCN1CC[C@H](S(=O)(=O)NC)C1 ZINC000155919049 384788065 /nfs/dbraw/zinc/78/80/65/384788065.db2.gz LKRSRVIBNLZBJN-VIFPVBQESA-N 0 0 216.306 -0.367 20 30 BBEDRN CC#CCN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000155919167 384786083 /nfs/dbraw/zinc/78/60/83/384786083.db2.gz LKRSRVIBNLZBJN-SECBINFHSA-N 0 0 216.306 -0.367 20 30 BBEDRN C#CCN(C(=O)Cn1cn[nH]c1=O)C1CCCC1 ZINC000155957479 326215904 /nfs/dbraw/zinc/21/59/04/326215904.db2.gz HKEXKZJARVJWEQ-UHFFFAOYSA-N 0 0 248.286 -0.024 20 30 BBEDRN C[C@@H]1[C@H](C)OCCN1CC(=O)NCC#N ZINC000155975333 201377944 /nfs/dbraw/zinc/37/79/44/201377944.db2.gz YTYIHLJWAXCGGT-BDAKNGLRSA-N 0 0 211.265 -0.265 20 30 BBEDRN C[C@@H]1OCCN(CC(=O)NCC#N)[C@H]1C ZINC000155975452 201377399 /nfs/dbraw/zinc/37/73/99/201377399.db2.gz YTYIHLJWAXCGGT-IUCAKERBSA-N 0 0 211.265 -0.265 20 30 BBEDRN C[C@H]1OCCN(CC(=O)NCC#N)[C@@H]1C ZINC000155975572 201378331 /nfs/dbraw/zinc/37/83/31/201378331.db2.gz YTYIHLJWAXCGGT-RKDXNWHRSA-N 0 0 211.265 -0.265 20 30 BBEDRN C[C@H]1OCCN(CC(=O)NCC#N)[C@H]1C ZINC000155975697 201378813 /nfs/dbraw/zinc/37/88/13/201378813.db2.gz YTYIHLJWAXCGGT-DTWKUNHWSA-N 0 0 211.265 -0.265 20 30 BBEDRN C#CCCCCNC(=O)CN(C)S(C)(=O)=O ZINC000155980019 384782718 /nfs/dbraw/zinc/78/27/18/384782718.db2.gz UOGPJTMUKPFVMR-UHFFFAOYSA-N 0 0 246.332 -0.203 20 30 BBEDRN C#CCN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000156037770 345119886 /nfs/dbraw/zinc/11/98/86/345119886.db2.gz RBWPIWAYSLQMAL-MRVPVSSYSA-N 0 0 202.279 -0.757 20 30 BBEDRN C#CCN1CC[C@H](S(=O)(=O)NC)C1 ZINC000156037888 345120127 /nfs/dbraw/zinc/12/01/27/345120127.db2.gz RBWPIWAYSLQMAL-QMMMGPOBSA-N 0 0 202.279 -0.757 20 30 BBEDRN C#CCCCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000156039110 166125187 /nfs/dbraw/zinc/12/51/87/166125187.db2.gz IQMSNRXAAWMBIV-VIFPVBQESA-N 0 0 246.332 -0.156 20 30 BBEDRN C#CCCCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000156039224 188330475 /nfs/dbraw/zinc/33/04/75/188330475.db2.gz IQMSNRXAAWMBIV-SECBINFHSA-N 0 0 246.332 -0.156 20 30 BBEDRN CNS(=O)(=O)[C@@H]1CCN(CC#N)C1 ZINC000156074550 487552112 /nfs/dbraw/zinc/55/21/12/487552112.db2.gz QGVUHQMJWIJTRD-SSDOTTSWSA-N 0 0 203.267 -0.867 20 30 BBEDRN CNS(=O)(=O)[C@H]1CCN(CC#N)C1 ZINC000156074675 326218446 /nfs/dbraw/zinc/21/84/46/326218446.db2.gz QGVUHQMJWIJTRD-ZETCQYMHSA-N 0 0 203.267 -0.867 20 30 BBEDRN C#CCCCCNC(=O)Cn1cnnn1 ZINC000156093312 386525854 /nfs/dbraw/zinc/52/58/54/386525854.db2.gz JPHCGWPZONJRIY-UHFFFAOYSA-N 0 0 207.237 -0.407 20 30 BBEDRN C#CCSCCNC(=O)CNC(C)=O ZINC000156115346 166201513 /nfs/dbraw/zinc/20/15/13/166201513.db2.gz JKMZBUQQMYYKEZ-UHFFFAOYSA-N 0 0 214.290 -0.395 20 30 BBEDRN C#CCSCCNC(=O)CCS(C)(=O)=O ZINC000156120170 166201629 /nfs/dbraw/zinc/20/16/29/166201629.db2.gz PLVPAQCZQFQILF-UHFFFAOYSA-N 0 0 249.357 -0.096 20 30 BBEDRN COC[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000156123542 345129653 /nfs/dbraw/zinc/12/96/53/345129653.db2.gz FAQKWIGNOBYMQR-KCJUWKMLSA-N 0 0 239.275 -0.490 20 30 BBEDRN COC[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000156123644 345129572 /nfs/dbraw/zinc/12/95/72/345129572.db2.gz FAQKWIGNOBYMQR-LDYMZIIASA-N 0 0 239.275 -0.490 20 30 BBEDRN COC[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000156123775 345129459 /nfs/dbraw/zinc/12/94/59/345129459.db2.gz FAQKWIGNOBYMQR-KWQFWETISA-N 0 0 239.275 -0.490 20 30 BBEDRN COC[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000156123881 345129410 /nfs/dbraw/zinc/12/94/10/345129410.db2.gz FAQKWIGNOBYMQR-GZMMTYOYSA-N 0 0 239.275 -0.490 20 30 BBEDRN C#CCNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000156196658 345126117 /nfs/dbraw/zinc/12/61/17/345126117.db2.gz IYVHOUYAGYWCIJ-UHFFFAOYSA-N 0 0 244.316 -0.162 20 30 BBEDRN C=C(C)COCCNC(=O)Cn1cn[nH]c1=O ZINC000156199293 326221762 /nfs/dbraw/zinc/22/17/62/326221762.db2.gz YRTKQINQQCOHMP-UHFFFAOYSA-N 0 0 240.263 -0.720 20 30 BBEDRN C#CCN1CCN(C(=O)c2ccnn2C)CC1 ZINC000156228970 641601649 /nfs/dbraw/zinc/60/16/49/641601649.db2.gz YNHVJGFKHVLERW-UHFFFAOYSA-N 0 0 232.287 -0.189 20 30 BBEDRN C#CCN(CC#C)C(=O)CN1CCOCC1 ZINC000156275753 166160726 /nfs/dbraw/zinc/16/07/26/166160726.db2.gz LYALIGQQFGPEPR-UHFFFAOYSA-N 0 0 220.272 -0.586 20 30 BBEDRN N#Cc1ncn(CCN2CCOCC2)c1C#N ZINC000156284560 641603267 /nfs/dbraw/zinc/60/32/67/641603267.db2.gz MUBXKIDRAFMCHO-UHFFFAOYSA-N 0 0 231.259 -0.041 20 30 BBEDRN C#CCCCCNC(=O)CN1CC(=O)NC1=O ZINC000156291541 384826600 /nfs/dbraw/zinc/82/66/00/384826600.db2.gz IWJPQHOBYQWQEO-UHFFFAOYSA-N 0 0 237.259 -0.542 20 30 BBEDRN COC(=O)[C@@H]1CCCN(CC#N)[C@@H]1C(=O)OC ZINC000156360656 326229583 /nfs/dbraw/zinc/22/95/83/326229583.db2.gz XMWZCTPBJBWMQA-BDAKNGLRSA-N 0 0 240.259 -0.063 20 30 BBEDRN COC(=O)[C@H]1CCCN(CC#N)[C@@H]1C(=O)OC ZINC000156360763 326229557 /nfs/dbraw/zinc/22/95/57/326229557.db2.gz XMWZCTPBJBWMQA-IUCAKERBSA-N 0 0 240.259 -0.063 20 30 BBEDRN C=C(C)CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000156368961 326230083 /nfs/dbraw/zinc/23/00/83/326230083.db2.gz NCHZLNMSHCHEGK-DTWKUNHWSA-N 0 0 241.291 -0.105 20 30 BBEDRN C=C(C)CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000156369080 326229919 /nfs/dbraw/zinc/22/99/19/326229919.db2.gz NCHZLNMSHCHEGK-RKDXNWHRSA-N 0 0 241.291 -0.105 20 30 BBEDRN C=C(C)CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000156369204 326230040 /nfs/dbraw/zinc/23/00/40/326230040.db2.gz NCHZLNMSHCHEGK-IUCAKERBSA-N 0 0 241.291 -0.105 20 30 BBEDRN C=C(C)CNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000156369331 326230186 /nfs/dbraw/zinc/23/01/86/326230186.db2.gz NCHZLNMSHCHEGK-BDAKNGLRSA-N 0 0 241.291 -0.105 20 30 BBEDRN C=CCCC(=O)N[C@H](C(=O)OC)[C@H](C)O ZINC000156370682 187296470 /nfs/dbraw/zinc/29/64/70/187296470.db2.gz QNVANXOTMBGMNL-CBAPKCEASA-N 0 0 215.249 -0.009 20 30 BBEDRN C=CCCC(=O)N[C@H](C(=O)OC)[C@@H](C)O ZINC000156370808 187296345 /nfs/dbraw/zinc/29/63/45/187296345.db2.gz QNVANXOTMBGMNL-APPZFPTMSA-N 0 0 215.249 -0.009 20 30 BBEDRN C=CCCC(=O)N[C@@H](C(=O)OC)[C@H](C)O ZINC000156370933 187467517 /nfs/dbraw/zinc/46/75/17/187467517.db2.gz QNVANXOTMBGMNL-IONNQARKSA-N 0 0 215.249 -0.009 20 30 BBEDRN C=CCCC(=O)N[C@@H](C(=O)OC)[C@@H](C)O ZINC000156371062 188329556 /nfs/dbraw/zinc/32/95/56/188329556.db2.gz QNVANXOTMBGMNL-VXNVDRBHSA-N 0 0 215.249 -0.009 20 30 BBEDRN C=C(C)CNC(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000156385887 191084965 /nfs/dbraw/zinc/08/49/65/191084965.db2.gz OCRUATYTVMFGTL-VIFPVBQESA-N 0 0 241.291 -0.281 20 30 BBEDRN C=C(C)CNC(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000156386009 384837413 /nfs/dbraw/zinc/83/74/13/384837413.db2.gz OCRUATYTVMFGTL-SECBINFHSA-N 0 0 241.291 -0.281 20 30 BBEDRN CC[C@H](O)Cn1c(=O)c(C#N)cn(CC)c1=O ZINC000156395169 171580199 /nfs/dbraw/zinc/58/01/99/171580199.db2.gz FHBSAGQGUPSQEU-VIFPVBQESA-N 0 0 237.259 -0.328 20 30 BBEDRN CC[C@@H](O)Cn1c(=O)c(C#N)cn(CC)c1=O ZINC000156395292 343065111 /nfs/dbraw/zinc/06/51/11/343065111.db2.gz FHBSAGQGUPSQEU-SECBINFHSA-N 0 0 237.259 -0.328 20 30 BBEDRN C[C@H](C#N)S(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000156461778 343199009 /nfs/dbraw/zinc/19/90/09/343199009.db2.gz LCCFZNUEDOYTTR-RGOKHQFPSA-N 0 0 244.316 -0.069 20 30 BBEDRN C#CCCCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000156503937 188329675 /nfs/dbraw/zinc/32/96/75/188329675.db2.gz MOOCFSIKGDRLEO-UHFFFAOYSA-N 0 0 249.270 -0.544 20 30 BBEDRN C=C(C)CNC(=O)NCCNS(C)(=O)=O ZINC000156533388 384873937 /nfs/dbraw/zinc/87/39/37/384873937.db2.gz XSQFLCBHSQBFAM-UHFFFAOYSA-N 0 0 235.309 -0.589 20 30 BBEDRN C#CCCCCNC(=O)[C@H](C)NC(N)=O ZINC000156573620 166126207 /nfs/dbraw/zinc/12/62/07/166126207.db2.gz BIGWBZOUIBVNGI-QMMMGPOBSA-N 0 0 211.265 -0.037 20 30 BBEDRN C#CCNC(=O)N[C@H]1CCN(C(=O)NCC)C1 ZINC000156583911 166181816 /nfs/dbraw/zinc/18/18/16/166181816.db2.gz XCKUSGPQQZGKKD-VIFPVBQESA-N 0 0 238.291 -0.277 20 30 BBEDRN C#CCNC(=O)N[C@@H]1CCN(C(=O)NCC)C1 ZINC000156584034 166179233 /nfs/dbraw/zinc/17/92/33/166179233.db2.gz XCKUSGPQQZGKKD-SECBINFHSA-N 0 0 238.291 -0.277 20 30 BBEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CC(O)C1 ZINC000156611795 181851770 /nfs/dbraw/zinc/85/17/70/181851770.db2.gz QFLMBBSXLNKAQI-UHFFFAOYSA-N 0 0 245.234 -0.030 20 30 BBEDRN C=C(C)CNC(=O)NCCNS(=O)(=O)CC ZINC000156664886 188333560 /nfs/dbraw/zinc/33/35/60/188333560.db2.gz OJLRDPCYJBFTRJ-UHFFFAOYSA-N 0 0 249.336 -0.199 20 30 BBEDRN C=C(C)CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000156703115 187296214 /nfs/dbraw/zinc/29/62/14/187296214.db2.gz BITCSSAIMKWCGG-RKDXNWHRSA-N 0 0 241.291 -0.153 20 30 BBEDRN C=C(C)CNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000156703250 187809234 /nfs/dbraw/zinc/80/92/34/187809234.db2.gz BITCSSAIMKWCGG-BDAKNGLRSA-N 0 0 241.291 -0.153 20 30 BBEDRN C[C@@H](C#N)S(=O)(=O)NCC1(CCO)CC1 ZINC000156827864 343198806 /nfs/dbraw/zinc/19/88/06/343198806.db2.gz RYDYBXULRQBJJW-QMMMGPOBSA-N 0 0 232.305 -0.020 20 30 BBEDRN C[C@H](C#N)S(=O)(=O)NCC1(CCO)CC1 ZINC000156828007 364751251 /nfs/dbraw/zinc/75/12/51/364751251.db2.gz RYDYBXULRQBJJW-MRVPVSSYSA-N 0 0 232.305 -0.020 20 30 BBEDRN CC[C@H](O)CCNS(=O)(=O)N(C)CCC#N ZINC000156837343 384986209 /nfs/dbraw/zinc/98/62/09/384986209.db2.gz ZNMIDSMZUYVBEX-VIFPVBQESA-N 0 0 249.336 -0.173 20 30 BBEDRN CC[C@@H](O)CCNS(=O)(=O)N(C)CCC#N ZINC000156837493 384986394 /nfs/dbraw/zinc/98/63/94/384986394.db2.gz ZNMIDSMZUYVBEX-SECBINFHSA-N 0 0 249.336 -0.173 20 30 BBEDRN C=C(C)CNC(=O)NCCN1C(=O)CNC1=O ZINC000156849996 187809504 /nfs/dbraw/zinc/80/95/04/187809504.db2.gz MBBSSNZGSCVMOD-UHFFFAOYSA-N 0 0 240.263 -0.587 20 30 BBEDRN CC1CC(C#N)(C(=O)NCCS(N)(=O)=O)C1 ZINC000156854877 326245382 /nfs/dbraw/zinc/24/53/82/326245382.db2.gz VEXMEVVHNGIIRA-UHFFFAOYSA-N 0 0 245.304 -0.669 20 30 BBEDRN C=CCCOCCNC(=O)Cn1cn[nH]c1=O ZINC000156868506 326245668 /nfs/dbraw/zinc/24/56/68/326245668.db2.gz BQLLQIBEHRKBTL-UHFFFAOYSA-N 0 0 240.263 -0.720 20 30 BBEDRN C=C(C)CNC(=O)NCC(=O)N1CCOCC1 ZINC000156888462 384974832 /nfs/dbraw/zinc/97/48/32/384974832.db2.gz FMDARYPXMLRJKC-UHFFFAOYSA-N 0 0 241.291 -0.280 20 30 BBEDRN COC(=O)CCN1CCN(C(=O)CC#N)CC1 ZINC000156897436 326247569 /nfs/dbraw/zinc/24/75/69/326247569.db2.gz CAWFKGPWXSAWMZ-UHFFFAOYSA-N 0 0 239.275 -0.393 20 30 BBEDRN COC(=O)[C@@H]1CN(C(=O)CC#N)CCO1 ZINC000156898082 388050717 /nfs/dbraw/zinc/05/07/17/388050717.db2.gz FQRUGRHMPJDSSI-ZETCQYMHSA-N 0 0 212.205 -0.700 20 30 BBEDRN COC(=O)[C@H]1CN(C(=O)CC#N)CCO1 ZINC000156898220 133475122 /nfs/dbraw/zinc/47/51/22/133475122.db2.gz FQRUGRHMPJDSSI-SSDOTTSWSA-N 0 0 212.205 -0.700 20 30 BBEDRN CC[C@@H](C#N)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000156900423 343844219 /nfs/dbraw/zinc/84/42/19/343844219.db2.gz SMXFSDLBVRVSNS-IUCAKERBSA-N 0 0 240.259 -0.063 20 30 BBEDRN CC[C@H](C#N)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000156900558 343844189 /nfs/dbraw/zinc/84/41/89/343844189.db2.gz SMXFSDLBVRVSNS-BDAKNGLRSA-N 0 0 240.259 -0.063 20 30 BBEDRN CC[C@@H](C#N)C(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000156900705 388825006 /nfs/dbraw/zinc/82/50/06/388825006.db2.gz SMXFSDLBVRVSNS-DTWKUNHWSA-N 0 0 240.259 -0.063 20 30 BBEDRN CC[C@H](C#N)C(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000156900841 388824698 /nfs/dbraw/zinc/82/46/98/388824698.db2.gz SMXFSDLBVRVSNS-RKDXNWHRSA-N 0 0 240.259 -0.063 20 30 BBEDRN CC1CC(C#N)(C(=O)NC(CO)CO)C1 ZINC000156985349 326251398 /nfs/dbraw/zinc/25/13/98/326251398.db2.gz QLZUBNKSIOKFGL-UHFFFAOYSA-N 0 0 212.249 -0.604 20 30 BBEDRN CN1C(=O)C[C@H](NC(=O)C2(C#N)CCC2)C1=O ZINC000156991762 371513795 /nfs/dbraw/zinc/51/37/95/371513795.db2.gz HLTXRDOQPQYWKK-ZETCQYMHSA-N 0 0 235.243 -0.446 20 30 BBEDRN CN1C(=O)C[C@@H](NC(=O)C2(C#N)CCC2)C1=O 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C=CCNc1nnc(S(=O)(=O)CCO)s1 ZINC000336743994 412133552 /nfs/dbraw/zinc/13/35/52/412133552.db2.gz YSEZOKVZLHMMQP-UHFFFAOYSA-N 0 0 249.317 -0.098 20 30 BBEDRN C=CCNC(=O)NCc1cncnc1N ZINC000336745182 411852598 /nfs/dbraw/zinc/85/25/98/411852598.db2.gz AZOGUWAHVFNHGQ-UHFFFAOYSA-N 0 0 207.237 0.044 20 30 BBEDRN N#CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000336746874 635258734 /nfs/dbraw/zinc/25/87/34/635258734.db2.gz CAQBHLVEYAJAPS-UHFFFAOYSA-N 0 0 208.181 -0.455 20 30 BBEDRN CC[C@](C)(NCC(=O)NCC#N)C(=O)OC ZINC000336750259 398200686 /nfs/dbraw/zinc/20/06/86/398200686.db2.gz ZJZWATLUTJTEGX-JTQLQIEISA-N 0 0 227.264 -0.443 20 30 BBEDRN CC[C@@](C)(NCC(=O)NCC#N)C(=O)OC ZINC000336750260 347194172 /nfs/dbraw/zinc/19/41/72/347194172.db2.gz ZJZWATLUTJTEGX-SNVBAGLBSA-N 0 0 227.264 -0.443 20 30 BBEDRN CNc1nnc(CC(=O)N(C)CCC#N)s1 ZINC000336754273 490090909 /nfs/dbraw/zinc/09/09/09/490090909.db2.gz FQIQSMFVLXLVAU-UHFFFAOYSA-N 0 0 239.304 0.494 20 30 BBEDRN CNc1nnc(CC(=O)NCCCC#N)s1 ZINC000336757034 412321526 /nfs/dbraw/zinc/32/15/26/412321526.db2.gz HLAXHKUEHSHGOQ-UHFFFAOYSA-N 0 0 239.304 0.542 20 30 BBEDRN CNc1nnc(CC(=O)N[C@@H](C)CC#N)s1 ZINC000336758116 487922955 /nfs/dbraw/zinc/92/29/55/487922955.db2.gz ICIHJCNEZCOJLK-LURJTMIESA-N 0 0 239.304 0.541 20 30 BBEDRN CNc1nnc(CC(=O)N[C@H](C)CC#N)s1 ZINC000336758119 412320688 /nfs/dbraw/zinc/32/06/88/412320688.db2.gz ICIHJCNEZCOJLK-ZCFIWIBFSA-N 0 0 239.304 0.541 20 30 BBEDRN C=CCNC(=O)CN[C@H](C)CS(C)(=O)=O ZINC000336762238 353200378 /nfs/dbraw/zinc/20/03/78/353200378.db2.gz OAGLUYGTTSXTIX-MRVPVSSYSA-N 0 0 234.321 -0.689 20 30 BBEDRN C=CCNC(=O)CN[C@@H](C)CS(C)(=O)=O ZINC000336762239 134939812 /nfs/dbraw/zinc/93/98/12/134939812.db2.gz OAGLUYGTTSXTIX-QMMMGPOBSA-N 0 0 234.321 -0.689 20 30 BBEDRN CNc1nnc(SCC(=O)NCC#N)s1 ZINC000336770829 412322579 /nfs/dbraw/zinc/32/25/79/412322579.db2.gz VZYURPPSVDEOBN-UHFFFAOYSA-N 0 0 243.317 0.312 20 30 BBEDRN C=C[C@@H](CO)NC(=O)Cc1nnc(NC)s1 ZINC000336773371 633738758 /nfs/dbraw/zinc/73/87/58/633738758.db2.gz WBOBLQQSSGKSDW-LURJTMIESA-N 0 0 242.304 -0.215 20 30 BBEDRN C=C[C@H](CO)NC(=O)Cc1nnc(NC)s1 ZINC000336773375 412146139 /nfs/dbraw/zinc/14/61/39/412146139.db2.gz WBOBLQQSSGKSDW-ZCFIWIBFSA-N 0 0 242.304 -0.215 20 30 BBEDRN COC(=O)c1cnc(NCC#CCO)nc1 ZINC000336774637 412347014 /nfs/dbraw/zinc/34/70/14/412347014.db2.gz XCAHZESRHPYMAG-UHFFFAOYSA-N 0 0 221.216 -0.329 20 30 BBEDRN CCNC(=O)c1ccc(=NCCC#N)[nH]n1 ZINC000336775924 635287663 /nfs/dbraw/zinc/28/76/63/635287663.db2.gz DDBARJAFVDXASI-UHFFFAOYSA-N 0 0 219.248 -0.026 20 30 BBEDRN Cc1cc(N[C@H](C)C(N)=O)nn1CCC#N ZINC000336783022 411658373 /nfs/dbraw/zinc/65/83/73/411658373.db2.gz ZGJGFFBDVWHOQZ-MRVPVSSYSA-N 0 0 221.264 0.391 20 30 BBEDRN Cc1cc(N[C@@H](C)C(N)=O)nn1CCC#N ZINC000336783023 411657284 /nfs/dbraw/zinc/65/72/84/411657284.db2.gz ZGJGFFBDVWHOQZ-QMMMGPOBSA-N 0 0 221.264 0.391 20 30 BBEDRN Cn1c(Cn2cc(C#N)cn2)cc(=O)n(C)c1=O ZINC000336786039 384277500 /nfs/dbraw/zinc/27/75/00/384277500.db2.gz AZJLWRPHIRFPMO-UHFFFAOYSA-N 0 0 245.242 -0.800 20 30 BBEDRN CN(C)c1nc(N)nc(Cn2cc(C#N)cn2)n1 ZINC000336792909 411862342 /nfs/dbraw/zinc/86/23/42/411862342.db2.gz URWLKTHEKKHUQL-UHFFFAOYSA-N 0 0 244.262 -0.364 20 30 BBEDRN C=C[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336881162 350526716 /nfs/dbraw/zinc/52/67/16/350526716.db2.gz CYTSUUUKETZVIR-BDAKNGLRSA-N 0 0 245.304 -0.380 20 30 BBEDRN C=C[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336881163 350527068 /nfs/dbraw/zinc/52/70/68/350527068.db2.gz CYTSUUUKETZVIR-DTWKUNHWSA-N 0 0 245.304 -0.380 20 30 BBEDRN C=C[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336881164 534667808 /nfs/dbraw/zinc/66/78/08/534667808.db2.gz CYTSUUUKETZVIR-IUCAKERBSA-N 0 0 245.304 -0.380 20 30 BBEDRN C=C[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336881165 534510727 /nfs/dbraw/zinc/51/07/27/534510727.db2.gz CYTSUUUKETZVIR-RKDXNWHRSA-N 0 0 245.304 -0.380 20 30 BBEDRN Cc1noc(NC(=O)[C@@H](C)n2cnc(C#N)n2)n1 ZINC000336882242 384474437 /nfs/dbraw/zinc/47/44/37/384474437.db2.gz FIEAHNSWSOBHNJ-RXMQYKEDSA-N 0 0 247.218 -0.537 20 30 BBEDRN Cc1noc(NC(=O)[C@H](C)n2cnc(C#N)n2)n1 ZINC000336882243 384484115 /nfs/dbraw/zinc/48/41/15/384484115.db2.gz FIEAHNSWSOBHNJ-YFKPBYRVSA-N 0 0 247.218 -0.537 20 30 BBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCCO2)CCO1 ZINC000336882270 350527106 /nfs/dbraw/zinc/52/71/06/350527106.db2.gz BTOAHCMAXFEFPR-MRVPVSSYSA-N 0 0 247.276 -0.907 20 30 BBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCCO2)CCO1 ZINC000336882277 350527012 /nfs/dbraw/zinc/52/70/12/350527012.db2.gz BTOAHCMAXFEFPR-QMMMGPOBSA-N 0 0 247.276 -0.907 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)N1CC(CO)C1 ZINC000336882389 350527182 /nfs/dbraw/zinc/52/71/82/350527182.db2.gz BXFJMKIQSPACGK-UHFFFAOYSA-N 0 0 247.320 -0.609 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)N[C@H](C)CO ZINC000336884382 350526876 /nfs/dbraw/zinc/52/68/76/350526876.db2.gz DRLFSFMBPVJQJR-MRVPVSSYSA-N 0 0 235.309 -0.563 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)N[C@@H](C)CO ZINC000336884383 350527156 /nfs/dbraw/zinc/52/71/56/350527156.db2.gz DRLFSFMBPVJQJR-QMMMGPOBSA-N 0 0 235.309 -0.563 20 30 BBEDRN CC[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336885372 134987842 /nfs/dbraw/zinc/98/78/42/134987842.db2.gz FODXJIKZBJEXDG-BDAKNGLRSA-N 0 0 247.320 -0.156 20 30 BBEDRN CC[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336885538 350527775 /nfs/dbraw/zinc/52/77/75/350527775.db2.gz FODXJIKZBJEXDG-DTWKUNHWSA-N 0 0 247.320 -0.156 20 30 BBEDRN CC[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336885539 350527765 /nfs/dbraw/zinc/52/77/65/350527765.db2.gz FODXJIKZBJEXDG-IUCAKERBSA-N 0 0 247.320 -0.156 20 30 BBEDRN CC[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336885540 134987774 /nfs/dbraw/zinc/98/77/74/134987774.db2.gz FODXJIKZBJEXDG-RKDXNWHRSA-N 0 0 247.320 -0.156 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)N[C@@H]1CCOC1 ZINC000336885733 350527889 /nfs/dbraw/zinc/52/78/89/350527889.db2.gz JIDBKABULJGKHP-SECBINFHSA-N 0 0 247.320 -0.155 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)N[C@H]1CCOC1 ZINC000336885744 350527716 /nfs/dbraw/zinc/52/77/16/350527716.db2.gz JIDBKABULJGKHP-VIFPVBQESA-N 0 0 247.320 -0.155 20 30 BBEDRN C=CCNC(=O)N(C)CCOCCO ZINC000336885783 136271015 /nfs/dbraw/zinc/27/10/15/136271015.db2.gz FAYZEBHCNKVGCA-UHFFFAOYSA-N 0 0 202.254 -0.177 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)NC[C@@H](C)O ZINC000336885861 350527747 /nfs/dbraw/zinc/52/77/47/350527747.db2.gz JMAIJRJIKGMXGU-MRVPVSSYSA-N 0 0 235.309 -0.563 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)NC[C@H](C)O ZINC000336885862 350527698 /nfs/dbraw/zinc/52/76/98/350527698.db2.gz JMAIJRJIKGMXGU-QMMMGPOBSA-N 0 0 235.309 -0.563 20 30 BBEDRN CCOCCNC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336886334 343137793 /nfs/dbraw/zinc/13/77/93/343137793.db2.gz JZHJOFKFYKIHES-MRVPVSSYSA-N 0 0 237.263 -0.137 20 30 BBEDRN CCOCCNC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336886340 343166413 /nfs/dbraw/zinc/16/64/13/343166413.db2.gz JZHJOFKFYKIHES-QMMMGPOBSA-N 0 0 237.263 -0.137 20 30 BBEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCOC1 ZINC000336894224 350529028 /nfs/dbraw/zinc/52/90/28/350529028.db2.gz QFDBFYPVEVHEEC-BDAKNGLRSA-N 0 0 247.320 -0.299 20 30 BBEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCOC1 ZINC000336894225 134988413 /nfs/dbraw/zinc/98/84/13/134988413.db2.gz QFDBFYPVEVHEEC-DTWKUNHWSA-N 0 0 247.320 -0.299 20 30 BBEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCOC1 ZINC000336894226 350528958 /nfs/dbraw/zinc/52/89/58/350528958.db2.gz QFDBFYPVEVHEEC-IUCAKERBSA-N 0 0 247.320 -0.299 20 30 BBEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCOC1 ZINC000336894227 350528176 /nfs/dbraw/zinc/52/81/76/350528176.db2.gz QFDBFYPVEVHEEC-RKDXNWHRSA-N 0 0 247.320 -0.299 20 30 BBEDRN C=CCNC(=O)NC[C@@H](O)COCC ZINC000336895837 166379081 /nfs/dbraw/zinc/37/90/81/166379081.db2.gz ZXHWSZXCRPDCCQ-MRVPVSSYSA-N 0 0 202.254 -0.131 20 30 BBEDRN C=CCNC(=O)NC[C@H](O)COCC ZINC000336895838 166379174 /nfs/dbraw/zinc/37/91/74/166379174.db2.gz ZXHWSZXCRPDCCQ-QMMMGPOBSA-N 0 0 202.254 -0.131 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)N(C)[C@H](C)CO ZINC000336897011 350531271 /nfs/dbraw/zinc/53/12/71/350531271.db2.gz STMXMOXJKNMIIW-SECBINFHSA-N 0 0 249.336 -0.221 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)N(C)[C@@H](C)CO ZINC000336897012 350531134 /nfs/dbraw/zinc/53/11/34/350531134.db2.gz STMXMOXJKNMIIW-VIFPVBQESA-N 0 0 249.336 -0.221 20 30 BBEDRN Cc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)n[nH]1 ZINC000336902072 411624295 /nfs/dbraw/zinc/62/42/95/411624295.db2.gz XIZYKRSGBGQINI-SSDOTTSWSA-N 0 0 245.246 0.381 20 30 BBEDRN Cc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)n[nH]1 ZINC000336902077 411629277 /nfs/dbraw/zinc/62/92/77/411629277.db2.gz XIZYKRSGBGQINI-ZETCQYMHSA-N 0 0 245.246 0.381 20 30 BBEDRN CCCCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336902225 350529930 /nfs/dbraw/zinc/52/99/30/350529930.db2.gz CDKHVWCLZUBWGO-SECBINFHSA-N 0 0 247.320 -0.155 20 30 BBEDRN CCCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336902226 350529762 /nfs/dbraw/zinc/52/97/62/350529762.db2.gz CDKHVWCLZUBWGO-VIFPVBQESA-N 0 0 247.320 -0.155 20 30 BBEDRN CC[C@H](CO)NS(=O)(=O)N(CC)CCC#N ZINC000336905208 350529299 /nfs/dbraw/zinc/52/92/99/350529299.db2.gz ZIETUNZWEZBMNU-SECBINFHSA-N 0 0 249.336 -0.173 20 30 BBEDRN CC[C@@H](CO)NS(=O)(=O)N(CC)CCC#N ZINC000336905221 350529917 /nfs/dbraw/zinc/52/99/17/350529917.db2.gz ZIETUNZWEZBMNU-VIFPVBQESA-N 0 0 249.336 -0.173 20 30 BBEDRN CN(C1CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336905890 350529651 /nfs/dbraw/zinc/52/96/51/350529651.db2.gz DYEGAGSDPBUJMI-SECBINFHSA-N 0 0 245.304 -0.450 20 30 BBEDRN CN(C1CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336905891 350529386 /nfs/dbraw/zinc/52/93/86/350529386.db2.gz DYEGAGSDPBUJMI-VIFPVBQESA-N 0 0 245.304 -0.450 20 30 BBEDRN C[C@@H](C(=O)Nc1cc[nH]n1)n1cnc(C#N)n1 ZINC000336911715 411808785 /nfs/dbraw/zinc/80/87/85/411808785.db2.gz YGEUGIHDPRRQSX-LURJTMIESA-N 0 0 231.219 0.073 20 30 BBEDRN C[C@H](C(=O)Nc1cc[nH]n1)n1cnc(C#N)n1 ZINC000336911716 409764103 /nfs/dbraw/zinc/76/41/03/409764103.db2.gz YGEUGIHDPRRQSX-ZCFIWIBFSA-N 0 0 231.219 0.073 20 30 BBEDRN CCN(CCC#N)S(=O)(=O)NCC(=O)OC ZINC000336917173 350533689 /nfs/dbraw/zinc/53/36/89/350533689.db2.gz NZPKPCCIVVYGPB-UHFFFAOYSA-N 0 0 249.292 -0.771 20 30 BBEDRN N#C[C@@H]1CN(S(=O)(=O)NCC2CC2)CCO1 ZINC000336922860 350534664 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ZINC000597741029 348805924 /nfs/dbraw/zinc/80/59/24/348805924.db2.gz KDTIIYZDLLEPFH-SECBINFHSA-N 0 0 207.233 -0.121 20 30 BBEDRN N#C[C@@H](CO)NC(=O)CCn1cccc1 ZINC000597741031 348805962 /nfs/dbraw/zinc/80/59/62/348805962.db2.gz KDTIIYZDLLEPFH-VIFPVBQESA-N 0 0 207.233 -0.121 20 30 BBEDRN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C#N)CO)C1 ZINC000597741293 348805686 /nfs/dbraw/zinc/80/56/86/348805686.db2.gz HHJYYGCSTKLBFF-BDAKNGLRSA-N 0 0 239.275 -0.754 20 30 BBEDRN C[C@H]1CCCN(C(=O)C(=O)N[C@H](C#N)CO)C1 ZINC000597741295 348805770 /nfs/dbraw/zinc/80/57/70/348805770.db2.gz HHJYYGCSTKLBFF-DTWKUNHWSA-N 0 0 239.275 -0.754 20 30 BBEDRN C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C#N)CO)C1 ZINC000597741297 348805947 /nfs/dbraw/zinc/80/59/47/348805947.db2.gz HHJYYGCSTKLBFF-IUCAKERBSA-N 0 0 239.275 -0.754 20 30 BBEDRN C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C#N)CO)C1 ZINC000597741299 348805728 /nfs/dbraw/zinc/80/57/28/348805728.db2.gz HHJYYGCSTKLBFF-RKDXNWHRSA-N 0 0 239.275 -0.754 20 30 BBEDRN CC[C@@H]1CC[C@H](C(=O)N[C@@H](C#N)CO)O1 ZINC000597741335 348805750 /nfs/dbraw/zinc/80/57/50/348805750.db2.gz NRPQECOTGHVMRD-DJLDLDEBSA-N 0 0 212.249 -0.055 20 30 BBEDRN CC[C@@H]1CC[C@@H](C(=O)N[C@H](C#N)CO)O1 ZINC000597741338 348805681 /nfs/dbraw/zinc/80/56/81/348805681.db2.gz NRPQECOTGHVMRD-HLTSFMKQSA-N 0 0 212.249 -0.055 20 30 BBEDRN CC[C@@H]1CC[C@H](C(=O)N[C@H](C#N)CO)O1 ZINC000597741341 348805742 /nfs/dbraw/zinc/80/57/42/348805742.db2.gz NRPQECOTGHVMRD-IWSPIJDZSA-N 0 0 212.249 -0.055 20 30 BBEDRN CC[C@@H]1CC[C@@H](C(=O)N[C@@H](C#N)CO)O1 ZINC000597741344 348805872 /nfs/dbraw/zinc/80/58/72/348805872.db2.gz NRPQECOTGHVMRD-YIZRAAEISA-N 0 0 212.249 -0.055 20 30 BBEDRN COC1(CC(=O)N[C@H](C#N)CO)CCC1 ZINC000597741379 348805845 /nfs/dbraw/zinc/80/58/45/348805845.db2.gz HOKJNRPAFDBCFQ-MRVPVSSYSA-N 0 0 212.249 -0.054 20 30 BBEDRN COC1(CC(=O)N[C@@H](C#N)CO)CCC1 ZINC000597741380 348805809 /nfs/dbraw/zinc/80/58/09/348805809.db2.gz HOKJNRPAFDBCFQ-QMMMGPOBSA-N 0 0 212.249 -0.054 20 30 BBEDRN CCOC(=O)[C@H](CC)C(=O)N[C@H](C#N)CO ZINC000597741410 348805794 /nfs/dbraw/zinc/80/57/94/348805794.db2.gz SUVCHMJWRPOUSN-HTQZYQBOSA-N 0 0 228.248 -0.424 20 30 BBEDRN CCOC(=O)[C@H](CC)C(=O)N[C@@H](C#N)CO ZINC000597741411 348805914 /nfs/dbraw/zinc/80/59/14/348805914.db2.gz SUVCHMJWRPOUSN-JGVFFNPUSA-N 0 0 228.248 -0.424 20 30 BBEDRN CCOC(=O)[C@@H](CC)C(=O)N[C@H](C#N)CO ZINC000597741412 348806518 /nfs/dbraw/zinc/80/65/18/348806518.db2.gz SUVCHMJWRPOUSN-SFYZADRCSA-N 0 0 228.248 -0.424 20 30 BBEDRN CCOC(=O)[C@@H](CC)C(=O)N[C@@H](C#N)CO ZINC000597741413 348806645 /nfs/dbraw/zinc/80/66/45/348806645.db2.gz SUVCHMJWRPOUSN-YUMQZZPRSA-N 0 0 228.248 -0.424 20 30 BBEDRN CN1CCCC[C@H]1C(=O)N[C@H](C#N)CO ZINC000597741446 348806229 /nfs/dbraw/zinc/80/62/29/348806229.db2.gz HVIUSBBQYWHFND-BDAKNGLRSA-N 0 0 211.265 -0.529 20 30 BBEDRN CN1CCCC[C@@H]1C(=O)N[C@@H](C#N)CO ZINC000597741447 348806278 /nfs/dbraw/zinc/80/62/78/348806278.db2.gz HVIUSBBQYWHFND-DTWKUNHWSA-N 0 0 211.265 -0.529 20 30 BBEDRN CN1CCCC[C@H]1C(=O)N[C@@H](C#N)CO ZINC000597741448 348806395 /nfs/dbraw/zinc/80/63/95/348806395.db2.gz HVIUSBBQYWHFND-IUCAKERBSA-N 0 0 211.265 -0.529 20 30 BBEDRN CN1CCCC[C@@H]1C(=O)N[C@H](C#N)CO ZINC000597741450 348806628 /nfs/dbraw/zinc/80/66/28/348806628.db2.gz HVIUSBBQYWHFND-RKDXNWHRSA-N 0 0 211.265 -0.529 20 30 BBEDRN CO[C@H](CC(=O)N[C@@H](C#N)CO)C(F)(F)F ZINC000597741522 348806464 /nfs/dbraw/zinc/80/64/64/348806464.db2.gz UURJHKIDQQCMQP-NTSWFWBYSA-N 0 0 240.181 -0.046 20 30 BBEDRN C=CCOCCCC(=O)N[C@H](C#N)CO ZINC000597741621 348806558 /nfs/dbraw/zinc/80/65/58/348806558.db2.gz OWNIUBLDAZSROR-SECBINFHSA-N 0 0 212.249 -0.030 20 30 BBEDRN C=CCOCCCC(=O)N[C@@H](C#N)CO ZINC000597741622 348806591 /nfs/dbraw/zinc/80/65/91/348806591.db2.gz OWNIUBLDAZSROR-VIFPVBQESA-N 0 0 212.249 -0.030 20 30 BBEDRN N#C[C@@H](CO)NC(=O)[C@@H]1CCCS1 ZINC000597741697 348806639 /nfs/dbraw/zinc/80/66/39/348806639.db2.gz PMEPKJGKCQNOHC-BQBZGAKWSA-N 0 0 200.263 -0.117 20 30 BBEDRN N#C[C@@H](CO)NC(=O)[C@H]1CCCS1 ZINC000597741699 348806204 /nfs/dbraw/zinc/80/62/04/348806204.db2.gz PMEPKJGKCQNOHC-NKWVEPMBSA-N 0 0 200.263 -0.117 20 30 BBEDRN N#C[C@H](CO)NC(=O)[C@H]1CCCS1 ZINC000597741700 348806502 /nfs/dbraw/zinc/80/65/02/348806502.db2.gz PMEPKJGKCQNOHC-RNFRBKRXSA-N 0 0 200.263 -0.117 20 30 BBEDRN N#C[C@H](CO)NC(=O)[C@@H]1CCCS1 ZINC000597741702 348806249 /nfs/dbraw/zinc/80/62/49/348806249.db2.gz PMEPKJGKCQNOHC-RQJHMYQMSA-N 0 0 200.263 -0.117 20 30 BBEDRN CO[C@H](CC(=O)N[C@H](C#N)CO)C(F)(F)F ZINC000597741746 348806324 /nfs/dbraw/zinc/80/63/24/348806324.db2.gz UURJHKIDQQCMQP-PHDIDXHHSA-N 0 0 240.181 -0.046 20 30 BBEDRN CO[C@@H](CC(=O)N[C@H](C#N)CO)C(F)(F)F ZINC000597741747 348806446 /nfs/dbraw/zinc/80/64/46/348806446.db2.gz UURJHKIDQQCMQP-RITPCOANSA-N 0 0 240.181 -0.046 20 30 BBEDRN CO[C@@H](CC(=O)N[C@@H](C#N)CO)C(F)(F)F ZINC000597741748 348806521 /nfs/dbraw/zinc/80/65/21/348806521.db2.gz UURJHKIDQQCMQP-WDSKDSINSA-N 0 0 240.181 -0.046 20 30 BBEDRN Cc1ccn(C)c1C(=O)N[C@H](C#N)CO ZINC000597741763 348806362 /nfs/dbraw/zinc/80/63/62/348806362.db2.gz JMKPFODWVJJWJS-MRVPVSSYSA-N 0 0 207.233 -0.052 20 30 BBEDRN Cc1ccn(C)c1C(=O)N[C@@H](C#N)CO ZINC000597741764 348806638 /nfs/dbraw/zinc/80/66/38/348806638.db2.gz JMKPFODWVJJWJS-QMMMGPOBSA-N 0 0 207.233 -0.052 20 30 BBEDRN C[C@@H](Oc1ccccn1)C(=O)N[C@@H](C#N)CO ZINC000597741862 348807348 /nfs/dbraw/zinc/80/73/48/348807348.db2.gz WBEDAOLWMPCOQM-BDAKNGLRSA-N 0 0 235.243 -0.150 20 30 BBEDRN Cc1cc(C(=O)N[C@H](C#N)CO)nc(C)n1 ZINC000597741863 348806999 /nfs/dbraw/zinc/80/69/99/348806999.db2.gz JZGVILCSOPZEAW-MRVPVSSYSA-N 0 0 220.232 -0.292 20 30 BBEDRN Cc1cc(C(=O)N[C@@H](C#N)CO)nc(C)n1 ZINC000597741864 348807316 /nfs/dbraw/zinc/80/73/16/348807316.db2.gz JZGVILCSOPZEAW-QMMMGPOBSA-N 0 0 220.232 -0.292 20 30 BBEDRN N#C[C@H](CO)NC(=O)[C@@H](O)CCc1ccccc1 ZINC000597741865 348807043 /nfs/dbraw/zinc/80/70/43/348807043.db2.gz KAJUKZFEMHPDQK-NEPJUHHUSA-N 0 0 248.282 -0.019 20 30 BBEDRN C[C@H](Oc1ccccn1)C(=O)N[C@H](C#N)CO ZINC000597741866 348807113 /nfs/dbraw/zinc/80/71/13/348807113.db2.gz WBEDAOLWMPCOQM-DTWKUNHWSA-N 0 0 235.243 -0.150 20 30 BBEDRN N#C[C@@H](CO)NC(=O)[C@H](O)CCc1ccccc1 ZINC000597741867 348807048 /nfs/dbraw/zinc/80/70/48/348807048.db2.gz KAJUKZFEMHPDQK-NWDGAFQWSA-N 0 0 248.282 -0.019 20 30 BBEDRN C[C@H](Oc1ccccn1)C(=O)N[C@@H](C#N)CO ZINC000597741868 348807004 /nfs/dbraw/zinc/80/70/04/348807004.db2.gz WBEDAOLWMPCOQM-IUCAKERBSA-N 0 0 235.243 -0.150 20 30 BBEDRN N#C[C@@H](CO)NC(=O)[C@@H](O)CCc1ccccc1 ZINC000597741869 348807237 /nfs/dbraw/zinc/80/72/37/348807237.db2.gz KAJUKZFEMHPDQK-RYUDHWBXSA-N 0 0 248.282 -0.019 20 30 BBEDRN C[C@@H](Oc1ccccn1)C(=O)N[C@H](C#N)CO ZINC000597741870 348807210 /nfs/dbraw/zinc/80/72/10/348807210.db2.gz WBEDAOLWMPCOQM-RKDXNWHRSA-N 0 0 235.243 -0.150 20 30 BBEDRN N#C[C@H](CO)NC(=O)[C@H](O)CCc1ccccc1 ZINC000597741871 348807178 /nfs/dbraw/zinc/80/71/78/348807178.db2.gz KAJUKZFEMHPDQK-VXGBXAGGSA-N 0 0 248.282 -0.019 20 30 BBEDRN CCCN1C[C@H](C(=O)N[C@@H](C#N)CO)CC1=O ZINC000597741872 348807270 /nfs/dbraw/zinc/80/72/70/348807270.db2.gz WBJKLLNDEVYEKO-BDAKNGLRSA-N 0 0 239.275 -0.754 20 30 BBEDRN CCCN1C[C@@H](C(=O)N[C@H](C#N)CO)CC1=O ZINC000597741874 348807257 /nfs/dbraw/zinc/80/72/57/348807257.db2.gz WBJKLLNDEVYEKO-DTWKUNHWSA-N 0 0 239.275 -0.754 20 30 BBEDRN CCCN1C[C@@H](C(=O)N[C@@H](C#N)CO)CC1=O ZINC000597741876 348807074 /nfs/dbraw/zinc/80/70/74/348807074.db2.gz WBJKLLNDEVYEKO-IUCAKERBSA-N 0 0 239.275 -0.754 20 30 BBEDRN CCCN1C[C@H](C(=O)N[C@H](C#N)CO)CC1=O ZINC000597741878 348806929 /nfs/dbraw/zinc/80/69/29/348806929.db2.gz WBJKLLNDEVYEKO-RKDXNWHRSA-N 0 0 239.275 -0.754 20 30 BBEDRN CCOC(=O)C(C)(C)C(=O)N[C@H](C#N)CO ZINC000597741884 348807182 /nfs/dbraw/zinc/80/71/82/348807182.db2.gz KGVHHLHVXFSGAQ-SSDOTTSWSA-N 0 0 228.248 -0.424 20 30 BBEDRN C[C@H](C(=O)N[C@H](C#N)CO)C(=O)OC(C)(C)C ZINC000597741885 348807068 /nfs/dbraw/zinc/80/70/68/348807068.db2.gz WFVXQQIRDRATLN-HTQZYQBOSA-N 0 0 242.275 -0.035 20 30 BBEDRN CCOC(=O)C(C)(C)C(=O)N[C@@H](C#N)CO ZINC000597741886 348806921 /nfs/dbraw/zinc/80/69/21/348806921.db2.gz KGVHHLHVXFSGAQ-ZETCQYMHSA-N 0 0 228.248 -0.424 20 30 BBEDRN C[C@@H](C(=O)N[C@H](C#N)CO)C(=O)OC(C)(C)C ZINC000597741887 348807253 /nfs/dbraw/zinc/80/72/53/348807253.db2.gz WFVXQQIRDRATLN-JGVFFNPUSA-N 0 0 242.275 -0.035 20 30 BBEDRN C[C@H](C(=O)N[C@@H](C#N)CO)C(=O)OC(C)(C)C ZINC000597741889 348806978 /nfs/dbraw/zinc/80/69/78/348806978.db2.gz WFVXQQIRDRATLN-SFYZADRCSA-N 0 0 242.275 -0.035 20 30 BBEDRN C[C@@H](C(=O)N[C@@H](C#N)CO)C(=O)OC(C)(C)C ZINC000597741891 348807274 /nfs/dbraw/zinc/80/72/74/348807274.db2.gz WFVXQQIRDRATLN-YUMQZZPRSA-N 0 0 242.275 -0.035 20 30 BBEDRN CCC(CC)(CO)C(=O)N[C@H](C#N)CO ZINC000597741917 348807338 /nfs/dbraw/zinc/80/73/38/348807338.db2.gz WVCIKFQLHJNZMV-MRVPVSSYSA-N 0 0 214.265 -0.214 20 30 BBEDRN CCC(CC)(CO)C(=O)N[C@@H](C#N)CO ZINC000597741918 348806943 /nfs/dbraw/zinc/80/69/43/348806943.db2.gz WVCIKFQLHJNZMV-QMMMGPOBSA-N 0 0 214.265 -0.214 20 30 BBEDRN Cn1nc2c(c1C(=O)N[C@H](C#N)CO)CCCC2 ZINC000597742199 348807260 /nfs/dbraw/zinc/80/72/60/348807260.db2.gz TUENGFWBAFCVCF-MRVPVSSYSA-N 0 0 248.286 -0.087 20 30 BBEDRN Cn1nc2c(c1C(=O)N[C@@H](C#N)CO)CCCC2 ZINC000597742200 348807175 /nfs/dbraw/zinc/80/71/75/348807175.db2.gz TUENGFWBAFCVCF-QMMMGPOBSA-N 0 0 248.286 -0.087 20 30 BBEDRN Cc1[nH]c(=O)ccc1C(=O)N[C@H](C#N)CO ZINC000597742225 348807365 /nfs/dbraw/zinc/80/73/65/348807365.db2.gz UFEYEGWNRMTIPA-SSDOTTSWSA-N 0 0 221.216 -0.290 20 30 BBEDRN Cc1[nH]c(=O)ccc1C(=O)N[C@@H](C#N)CO ZINC000597742226 348807125 /nfs/dbraw/zinc/80/71/25/348807125.db2.gz UFEYEGWNRMTIPA-ZETCQYMHSA-N 0 0 221.216 -0.290 20 30 BBEDRN Cc1cc(C(=O)N[C@H](C#N)CO)ncc1C#N ZINC000597742292 348807013 /nfs/dbraw/zinc/80/70/13/348807013.db2.gz XHCVKJMLINGVPN-SECBINFHSA-N 0 0 230.227 -0.124 20 30 BBEDRN Cc1cc(C(=O)N[C@@H](C#N)CO)ncc1C#N ZINC000597742293 348807358 /nfs/dbraw/zinc/80/73/58/348807358.db2.gz XHCVKJMLINGVPN-VIFPVBQESA-N 0 0 230.227 -0.124 20 30 BBEDRN CO[C@H](C(=O)N[C@H](C#N)CO)C1CCC1 ZINC000597742315 348807764 /nfs/dbraw/zinc/80/77/64/348807764.db2.gz XUQIHTONCLYHIN-BDAKNGLRSA-N 0 0 212.249 -0.198 20 30 BBEDRN CO[C@@H](C(=O)N[C@@H](C#N)CO)C1CCC1 ZINC000597742316 348807985 /nfs/dbraw/zinc/80/79/85/348807985.db2.gz XUQIHTONCLYHIN-DTWKUNHWSA-N 0 0 212.249 -0.198 20 30 BBEDRN CO[C@H](C(=O)N[C@@H](C#N)CO)C1CCC1 ZINC000597742317 348807927 /nfs/dbraw/zinc/80/79/27/348807927.db2.gz XUQIHTONCLYHIN-IUCAKERBSA-N 0 0 212.249 -0.198 20 30 BBEDRN CO[C@@H](C(=O)N[C@H](C#N)CO)C1CCC1 ZINC000597742318 348807816 /nfs/dbraw/zinc/80/78/16/348807816.db2.gz XUQIHTONCLYHIN-RKDXNWHRSA-N 0 0 212.249 -0.198 20 30 BBEDRN COc1ccnc(C(=O)N[C@H](C#N)CO)c1 ZINC000597742337 348807809 /nfs/dbraw/zinc/80/78/09/348807809.db2.gz YCZATPAGSHFSES-SSDOTTSWSA-N 0 0 221.216 -0.296 20 30 BBEDRN COc1ccnc(C(=O)N[C@@H](C#N)CO)c1 ZINC000597742338 348807759 /nfs/dbraw/zinc/80/77/59/348807759.db2.gz YCZATPAGSHFSES-ZETCQYMHSA-N 0 0 221.216 -0.296 20 30 BBEDRN C[C@](O)(Cc1ccccc1)C(=O)N[C@@H](C#N)CO ZINC000597742381 348808002 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368949216 /nfs/dbraw/zinc/94/92/16/368949216.db2.gz FJPBKDHGTZVRMP-DTWKUNHWSA-N 0 0 226.276 -0.434 20 30 BBEDRN C=CCC[C@@H](CO)NC(=O)[C@H]1CCNC1=O ZINC000616099165 368948917 /nfs/dbraw/zinc/94/89/17/368948917.db2.gz FJPBKDHGTZVRMP-IUCAKERBSA-N 0 0 226.276 -0.434 20 30 BBEDRN C=CCC[C@H](CO)NC(=O)[C@@H]1CCNC1=O ZINC000616099166 368948908 /nfs/dbraw/zinc/94/89/08/368948908.db2.gz FJPBKDHGTZVRMP-RKDXNWHRSA-N 0 0 226.276 -0.434 20 30 BBEDRN C=CCC[C@H](CO)NC(=O)[C@H]1CC(=O)N1 ZINC000616099755 368950964 /nfs/dbraw/zinc/95/09/64/368950964.db2.gz HXAYMVOPTKXMPJ-HTQZYQBOSA-N 0 0 212.249 -0.682 20 30 BBEDRN C=CCC[C@@H](CO)NC(=O)[C@H]1CC(=O)N1 ZINC000616099759 368951047 /nfs/dbraw/zinc/95/10/47/368951047.db2.gz HXAYMVOPTKXMPJ-JGVFFNPUSA-N 0 0 212.249 -0.682 20 30 BBEDRN C=CCC[C@H](CO)NC(=O)[C@@H]1CC(=O)N1 ZINC000616099760 368950232 /nfs/dbraw/zinc/95/02/32/368950232.db2.gz HXAYMVOPTKXMPJ-SFYZADRCSA-N 0 0 212.249 -0.682 20 30 BBEDRN C=CCC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N1 ZINC000616099761 368950610 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/nfs/dbraw/zinc/95/98/10/368959810.db2.gz RHVJEEOZUBTDSW-NSHDSACASA-N 0 0 242.319 -0.286 20 30 BBEDRN C=C(CC)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000616115287 368959890 /nfs/dbraw/zinc/95/98/90/368959890.db2.gz HZBRTEVGKSXPJF-ZETCQYMHSA-N 0 0 225.248 -0.333 20 30 BBEDRN C=C(CC)CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616116886 368961220 /nfs/dbraw/zinc/96/12/20/368961220.db2.gz WZHYAVMTRYAOIX-GMTAPVOTSA-N 0 0 241.287 -0.518 20 30 BBEDRN C=C[C@](C)(O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000616125338 368964969 /nfs/dbraw/zinc/96/49/69/368964969.db2.gz VHSPZGGTOVEADJ-RNSXUZJQSA-N 0 0 226.276 -0.306 20 30 BBEDRN C=C[C@@](C)(O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000616125340 368965108 /nfs/dbraw/zinc/96/51/08/368965108.db2.gz VHSPZGGTOVEADJ-VAOFZXAKSA-N 0 0 226.276 -0.306 20 30 BBEDRN C=C[C@H](O)C(=O)N[C@H]1CC[C@@H](C(N)=O)C1 ZINC000616125609 368965064 /nfs/dbraw/zinc/96/50/64/368965064.db2.gz ZTUFTMIFTKKSHL-CSMHCCOUSA-N 0 0 212.249 -0.697 20 30 BBEDRN C=C[C@@H](O)C(=O)N[C@H]1CC[C@@H](C(N)=O)C1 ZINC000616125610 368965393 /nfs/dbraw/zinc/96/53/93/368965393.db2.gz ZTUFTMIFTKKSHL-GJMOJQLCSA-N 0 0 212.249 -0.697 20 30 BBEDRN C=C[C@@](C)(O)C(=O)N1CC(S(C)(=O)=O)C1 ZINC000616137676 368978338 /nfs/dbraw/zinc/97/83/38/368978338.db2.gz VFSVRVVMAXIBSZ-SECBINFHSA-N 0 0 233.289 -0.821 20 30 BBEDRN C=C[C@](C)(O)C(=O)N1CC(S(C)(=O)=O)C1 ZINC000616137677 368978446 /nfs/dbraw/zinc/97/84/46/368978446.db2.gz VFSVRVVMAXIBSZ-VIFPVBQESA-N 0 0 233.289 -0.821 20 30 BBEDRN C=C[C@H](O)C(=O)N[C@@H](CC)C(=O)NC ZINC000616146045 368982202 /nfs/dbraw/zinc/98/22/02/368982202.db2.gz NAOPQPWHXCWKSP-BQBZGAKWSA-N 0 0 200.238 -0.826 20 30 BBEDRN C=C[C@@H](O)C(=O)N[C@@H](CC)C(=O)NC ZINC000616146047 368981994 /nfs/dbraw/zinc/98/19/94/368981994.db2.gz NAOPQPWHXCWKSP-NKWVEPMBSA-N 0 0 200.238 -0.826 20 30 BBEDRN C=C[C@@H](O)C(=O)N[C@H](CC)C(=O)NC ZINC000616146048 368982232 /nfs/dbraw/zinc/98/22/32/368982232.db2.gz NAOPQPWHXCWKSP-RNFRBKRXSA-N 0 0 200.238 -0.826 20 30 BBEDRN 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712582136 /nfs/dbraw/zinc/58/21/36/712582136.db2.gz BUKQORBXLSHZMB-ZETCQYMHSA-N 0 0 206.267 -0.922 20 30 BBEDRN C#CC[C@H](COC)NS(=O)(=O)CC ZINC000716911566 712582132 /nfs/dbraw/zinc/58/21/32/712582132.db2.gz BZJXJMCKYCAFKU-MRVPVSSYSA-N 0 0 205.279 -0.036 20 30 BBEDRN C#CC[C@@H](COC)NS(=O)(=O)CC ZINC000716911568 712582098 /nfs/dbraw/zinc/58/20/98/712582098.db2.gz BZJXJMCKYCAFKU-QMMMGPOBSA-N 0 0 205.279 -0.036 20 30 BBEDRN C#CC[C@H](COC)NS(=O)(=O)N(C)C ZINC000716911594 712582090 /nfs/dbraw/zinc/58/20/90/712582090.db2.gz CDXBDUOLLRKAIU-MRVPVSSYSA-N 0 0 220.294 -0.579 20 30 BBEDRN C#CC[C@@H](COC)NS(=O)(=O)N(C)C ZINC000716911597 712582073 /nfs/dbraw/zinc/58/20/73/712582073.db2.gz CDXBDUOLLRKAIU-QMMMGPOBSA-N 0 0 220.294 -0.579 20 30 BBEDRN C#CC[C@H](COC)NS(=O)(=O)NCCC ZINC000716913018 712582129 /nfs/dbraw/zinc/58/21/29/712582129.db2.gz GZHSPFIWJCWDMB-SECBINFHSA-N 0 0 234.321 -0.141 20 30 BBEDRN C#CC[C@@H](COC)NS(=O)(=O)NCCC ZINC000716913021 712582052 /nfs/dbraw/zinc/58/20/52/712582052.db2.gz GZHSPFIWJCWDMB-VIFPVBQESA-N 0 0 234.321 -0.141 20 30 BBEDRN C#CC[C@H](COC)NS(=O)(=O)CCOC ZINC000716913824 712582048 /nfs/dbraw/zinc/58/20/48/712582048.db2.gz ICFKFJICCSEIAS-SECBINFHSA-N 0 0 235.305 -0.410 20 30 BBEDRN C#CC[C@@H](COC)NS(=O)(=O)CCOC ZINC000716913825 712582029 /nfs/dbraw/zinc/58/20/29/712582029.db2.gz ICFKFJICCSEIAS-VIFPVBQESA-N 0 0 235.305 -0.410 20 30 BBEDRN C#CC[C@H](COC)NS(=O)(=O)NCC ZINC000716914570 712582047 /nfs/dbraw/zinc/58/20/47/712582047.db2.gz KLISUDKGNCCGTM-MRVPVSSYSA-N 0 0 220.294 -0.531 20 30 BBEDRN C#CC[C@@H](COC)NS(=O)(=O)NCC ZINC000716914572 712582110 /nfs/dbraw/zinc/58/21/10/712582110.db2.gz KLISUDKGNCCGTM-QMMMGPOBSA-N 0 0 220.294 -0.531 20 30 BBEDRN C#CC[C@H](COC)NS(=O)(=O)NC(C)C ZINC000716914955 712581945 /nfs/dbraw/zinc/58/19/45/712581945.db2.gz LGRHOBJKXRGMFQ-SECBINFHSA-N 0 0 234.321 -0.143 20 30 BBEDRN C#CC[C@@H](COC)NS(=O)(=O)NC(C)C ZINC000716914958 712582107 /nfs/dbraw/zinc/58/21/07/712582107.db2.gz LGRHOBJKXRGMFQ-VIFPVBQESA-N 0 0 234.321 -0.143 20 30 BBEDRN C#CC[C@H](COC)NS(=O)(=O)NC1CC1 ZINC000716918552 712582352 /nfs/dbraw/zinc/58/23/52/712582352.db2.gz WCHQLPHMCIENMN-SECBINFHSA-N 0 0 232.305 -0.389 20 30 BBEDRN C#CC[C@@H](COC)NS(=O)(=O)NC1CC1 ZINC000716918556 712582330 /nfs/dbraw/zinc/58/23/30/712582330.db2.gz WCHQLPHMCIENMN-VIFPVBQESA-N 0 0 232.305 -0.389 20 30 BBEDRN C#CC[C@H](COC)NCc1cnn(C)n1 ZINC000716928451 712596692 /nfs/dbraw/zinc/59/66/92/712596692.db2.gz JCFQKEDIDGUFCU-SECBINFHSA-N 0 0 208.265 -0.057 20 30 BBEDRN C#CC[C@@H](COC)NCc1cnn(C)n1 ZINC000716928453 712596564 /nfs/dbraw/zinc/59/65/64/712596564.db2.gz JCFQKEDIDGUFCU-VIFPVBQESA-N 0 0 208.265 -0.057 20 30 BBEDRN C#CC[C@H](COC)NCc1cn(C)nn1 ZINC000716928711 712596536 /nfs/dbraw/zinc/59/65/36/712596536.db2.gz MHESBFAPVPSXJT-SECBINFHSA-N 0 0 208.265 -0.057 20 30 BBEDRN C#CC[C@@H](COC)NCc1cn(C)nn1 ZINC000716928712 712596393 /nfs/dbraw/zinc/59/63/93/712596393.db2.gz MHESBFAPVPSXJT-VIFPVBQESA-N 0 0 208.265 -0.057 20 30 BBEDRN N#C[C@@H]1CN(C(=O)COC2CC2)CCO1 ZINC000716943004 712598116 /nfs/dbraw/zinc/59/81/16/712598116.db2.gz OWCVKVHVGKTZIH-SECBINFHSA-N 0 0 210.233 -0.084 20 30 BBEDRN N#C[C@H]1CN(C(=O)COC2CC2)CCO1 ZINC000716943006 712598132 /nfs/dbraw/zinc/59/81/32/712598132.db2.gz OWCVKVHVGKTZIH-VIFPVBQESA-N 0 0 210.233 -0.084 20 30 BBEDRN N#CCN1CCN(C(=O)COC2CC2)CC1 ZINC000716945856 712598558 /nfs/dbraw/zinc/59/85/58/712598558.db2.gz VXVMSLKKLJSGIQ-UHFFFAOYSA-N 0 0 223.276 -0.167 20 30 BBEDRN N#C[C@@H]1COCCN1C(=O)COC1CC1 ZINC000716946028 712598486 /nfs/dbraw/zinc/59/84/86/712598486.db2.gz MFZDCWOHRZSQFP-MRVPVSSYSA-N 0 0 210.233 -0.084 20 30 BBEDRN N#C[C@H]1COCCN1C(=O)COC1CC1 ZINC000716946030 712598557 /nfs/dbraw/zinc/59/85/57/712598557.db2.gz MFZDCWOHRZSQFP-QMMMGPOBSA-N 0 0 210.233 -0.084 20 30 BBEDRN C#CC[C@H](COC)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000716960194 712600255 /nfs/dbraw/zinc/60/02/55/712600255.db2.gz BBYFKSAVIYCHNX-NXEZZACHSA-N 0 0 238.287 -0.381 20 30 BBEDRN C#CC[C@@H](COC)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000716960195 712600272 /nfs/dbraw/zinc/60/02/72/712600272.db2.gz BBYFKSAVIYCHNX-UWVGGRQHSA-N 0 0 238.287 -0.381 20 30 BBEDRN C#CC[C@H](COC)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000716960196 712600327 /nfs/dbraw/zinc/60/03/27/712600327.db2.gz BBYFKSAVIYCHNX-VHSXEESVSA-N 0 0 238.287 -0.381 20 30 BBEDRN C#CC[C@@H](COC)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000716960197 712600291 /nfs/dbraw/zinc/60/02/91/712600291.db2.gz BBYFKSAVIYCHNX-ZJUUUORDSA-N 0 0 238.287 -0.381 20 30 BBEDRN C#CC[C@H](COC)NC(=O)c1cn[nH]n1 ZINC000716962929 712602078 /nfs/dbraw/zinc/60/20/78/712602078.db2.gz MARVKJIZLZUHLR-SSDOTTSWSA-N 0 0 208.221 -0.427 20 30 BBEDRN C#CC[C@@H](COC)NC(=O)c1cn[nH]n1 ZINC000716962933 712602042 /nfs/dbraw/zinc/60/20/42/712602042.db2.gz MARVKJIZLZUHLR-ZETCQYMHSA-N 0 0 208.221 -0.427 20 30 BBEDRN C#CC[C@@H](COC)NC(=O)CN(C)C(C)=O ZINC000716963020 712602168 /nfs/dbraw/zinc/60/21/68/712602168.db2.gz MGIPOLBIDQFPHX-JTQLQIEISA-N 0 0 226.276 -0.381 20 30 BBEDRN C#CC[C@H](COC)NC(=O)CN(C)C(C)=O ZINC000716963023 712602091 /nfs/dbraw/zinc/60/20/91/712602091.db2.gz MGIPOLBIDQFPHX-SNVBAGLBSA-N 0 0 226.276 -0.381 20 30 BBEDRN C#CC[C@H](COC)NC(=O)CNC(C)=O ZINC000716963567 712602055 /nfs/dbraw/zinc/60/20/55/712602055.db2.gz ONQNHZYHASLRSC-SECBINFHSA-N 0 0 212.249 -0.723 20 30 BBEDRN C#CC[C@@H](COC)NC(=O)CNC(C)=O ZINC000716963568 712602038 /nfs/dbraw/zinc/60/20/38/712602038.db2.gz ONQNHZYHASLRSC-VIFPVBQESA-N 0 0 212.249 -0.723 20 30 BBEDRN C[C@H](O)[C@H](O)CNC(=O)Cc1ccc(C#N)cc1 ZINC000717299348 712645862 /nfs/dbraw/zinc/64/58/62/712645862.db2.gz QDULBJHZGKJAKL-JOYOIKCWSA-N 0 0 248.282 -0.041 20 30 BBEDRN C[C@@H](O)[C@@H](O)CNC(=O)Cc1ccc(C#N)cc1 ZINC000717299350 712645725 /nfs/dbraw/zinc/64/57/25/712645725.db2.gz QDULBJHZGKJAKL-SKDRFNHKSA-N 0 0 248.282 -0.041 20 30 BBEDRN C[C@@H](O)[C@H](O)CNc1ccncc1C#N ZINC000717329347 712648891 /nfs/dbraw/zinc/64/88/91/712648891.db2.gz DDEZFFUDJFTSCN-GMSGAONNSA-N 0 0 207.233 -0.471 20 30 BBEDRN C[C@H](O)[C@H](O)CNc1ccncc1C#N ZINC000717329349 712648946 /nfs/dbraw/zinc/64/89/46/712648946.db2.gz DDEZFFUDJFTSCN-OIBJUYFYSA-N 0 0 207.233 -0.471 20 30 BBEDRN C[C@@H](O)[C@@H](O)CNc1ccncc1C#N ZINC000717329351 712649033 /nfs/dbraw/zinc/64/90/33/712649033.db2.gz DDEZFFUDJFTSCN-XCBNKYQSSA-N 0 0 207.233 -0.471 20 30 BBEDRN C[C@H](O)[C@@H](O)CNc1ccncc1C#N ZINC000717329353 712648816 /nfs/dbraw/zinc/64/88/16/712648816.db2.gz DDEZFFUDJFTSCN-XVKPBYJWSA-N 0 0 207.233 -0.471 20 30 BBEDRN Cc1cc(NC[C@@H](O)[C@H](C)O)c(C#N)cn1 ZINC000717332616 712648914 /nfs/dbraw/zinc/64/89/14/712648914.db2.gz QSRNPDNRFBISFP-GZMMTYOYSA-N 0 0 221.260 -0.163 20 30 BBEDRN Cc1cc(NC[C@H](O)[C@@H](C)O)c(C#N)cn1 ZINC000717332619 712648835 /nfs/dbraw/zinc/64/88/35/712648835.db2.gz QSRNPDNRFBISFP-KCJUWKMLSA-N 0 0 221.260 -0.163 20 30 BBEDRN Cc1cc(NC[C@H](O)[C@H](C)O)c(C#N)cn1 ZINC000717332625 712648967 /nfs/dbraw/zinc/64/89/67/712648967.db2.gz QSRNPDNRFBISFP-KWQFWETISA-N 0 0 221.260 -0.163 20 30 BBEDRN Cc1cc(NC[C@@H](O)[C@@H](C)O)c(C#N)cn1 ZINC000717332630 712648877 /nfs/dbraw/zinc/64/88/77/712648877.db2.gz QSRNPDNRFBISFP-LDYMZIIASA-N 0 0 221.260 -0.163 20 30 BBEDRN C[C@@H](O)[C@H](O)CNCc1nc(C#N)cs1 ZINC000717334585 712649350 /nfs/dbraw/zinc/64/93/50/712649350.db2.gz WRFLXTXZRCDRRM-HTRCEHHLSA-N 0 0 227.289 -0.154 20 30 BBEDRN C[C@H](O)[C@H](O)CNCc1nc(C#N)cs1 ZINC000717334587 712649231 /nfs/dbraw/zinc/64/92/31/712649231.db2.gz WRFLXTXZRCDRRM-POYBYMJQSA-N 0 0 227.289 -0.154 20 30 BBEDRN C[C@@H](O)[C@@H](O)CNCc1nc(C#N)cs1 ZINC000717334590 712649427 /nfs/dbraw/zinc/64/94/27/712649427.db2.gz WRFLXTXZRCDRRM-SVRRBLITSA-N 0 0 227.289 -0.154 20 30 BBEDRN C[C@H](O)[C@@H](O)CNCc1nc(C#N)cs1 ZINC000717334592 712649158 /nfs/dbraw/zinc/64/91/58/712649158.db2.gz WRFLXTXZRCDRRM-XPUUQOCRSA-N 0 0 227.289 -0.154 20 30 BBEDRN C[C@H](O)[C@H](O)CNC(=O)C#Cc1ccccc1 ZINC000717335588 712649255 /nfs/dbraw/zinc/64/92/55/712649255.db2.gz YDPGWPYHTOYJGX-CMPLNLGQSA-N 0 0 233.267 -0.104 20 30 BBEDRN C[C@H](O)[C@@H](O)CNC(=O)C#Cc1ccccc1 ZINC000717335590 712649216 /nfs/dbraw/zinc/64/92/16/712649216.db2.gz YDPGWPYHTOYJGX-JQWIXIFHSA-N 0 0 233.267 -0.104 20 30 BBEDRN C[C@@H](O)[C@@H](O)CNC(=O)C#Cc1ccccc1 ZINC000717335591 712649165 /nfs/dbraw/zinc/64/91/65/712649165.db2.gz YDPGWPYHTOYJGX-PWSUYJOCSA-N 0 0 233.267 -0.104 20 30 BBEDRN C[C@@H](O)[C@H](O)CNC(=O)C#Cc1ccccc1 ZINC000717335593 712649226 /nfs/dbraw/zinc/64/92/26/712649226.db2.gz YDPGWPYHTOYJGX-ZYHUDNBSSA-N 0 0 233.267 -0.104 20 30 BBEDRN CC[C@](C)(C#N)C(=O)NC[C@H](O)[C@@H](C)O ZINC000717346768 712649234 /nfs/dbraw/zinc/64/92/34/712649234.db2.gz AALPHADQBBNPSN-KHQFGBGNSA-N 0 0 214.265 -0.216 20 30 BBEDRN CC[C@](C)(C#N)C(=O)NC[C@@H](O)[C@@H](C)O ZINC000717346779 712649212 /nfs/dbraw/zinc/64/92/12/712649212.db2.gz AALPHADQBBNPSN-NQMVMOMDSA-N 0 0 214.265 -0.216 20 30 BBEDRN CC[C@](C)(C#N)C(=O)NC[C@H](O)[C@H](C)O ZINC000717346782 712649149 /nfs/dbraw/zinc/64/91/49/712649149.db2.gz AALPHADQBBNPSN-OYNCUSHFSA-N 0 0 214.265 -0.216 20 30 BBEDRN CC[C@](C)(C#N)C(=O)NC[C@@H](O)[C@H](C)O ZINC000717346784 712649396 /nfs/dbraw/zinc/64/93/96/712649396.db2.gz AALPHADQBBNPSN-QXFUBDJGSA-N 0 0 214.265 -0.216 20 30 BBEDRN C[C@@H](O)[C@@H](O)CNC(=O)C1(C#N)CCCC1 ZINC000717347670 712649368 /nfs/dbraw/zinc/64/93/68/712649368.db2.gz GRJXAEHIQPTGGT-BDAKNGLRSA-N 0 0 226.276 -0.072 20 30 BBEDRN C[C@H](O)[C@H](O)CNC(=O)C1(C#N)CCCC1 ZINC000717347671 712649167 /nfs/dbraw/zinc/64/91/67/712649167.db2.gz GRJXAEHIQPTGGT-DTWKUNHWSA-N 0 0 226.276 -0.072 20 30 BBEDRN C[C@H](O)[C@@H](O)CNC(=O)C1(C#N)CCCC1 ZINC000717347672 712649425 /nfs/dbraw/zinc/64/94/25/712649425.db2.gz GRJXAEHIQPTGGT-IUCAKERBSA-N 0 0 226.276 -0.072 20 30 BBEDRN C[C@@H](O)[C@H](O)CNC(=O)C1(C#N)CCCC1 ZINC000717347673 712649137 /nfs/dbraw/zinc/64/91/37/712649137.db2.gz GRJXAEHIQPTGGT-RKDXNWHRSA-N 0 0 226.276 -0.072 20 30 BBEDRN C[C@H](O)[C@@H](O)CNC(=O)C(C)(C)C#N ZINC000717349428 712649888 /nfs/dbraw/zinc/64/98/88/712649888.db2.gz MHRYXXPXFGFRTI-BQBZGAKWSA-N 0 0 200.238 -0.606 20 30 BBEDRN C[C@H](O)[C@H](O)CNC(=O)C(C)(C)C#N ZINC000717349429 712650003 /nfs/dbraw/zinc/65/00/03/712650003.db2.gz MHRYXXPXFGFRTI-NKWVEPMBSA-N 0 0 200.238 -0.606 20 30 BBEDRN C[C@@H](O)[C@H](O)CNC(=O)C(C)(C)C#N ZINC000717349430 712649948 /nfs/dbraw/zinc/64/99/48/712649948.db2.gz MHRYXXPXFGFRTI-RNFRBKRXSA-N 0 0 200.238 -0.606 20 30 BBEDRN C[C@@H](O)[C@@H](O)CNC(=O)C(C)(C)C#N ZINC000717349431 712650013 /nfs/dbraw/zinc/65/00/13/712650013.db2.gz MHRYXXPXFGFRTI-RQJHMYQMSA-N 0 0 200.238 -0.606 20 30 BBEDRN C[C@@H](O)[C@H](O)CNC(=O)C1(C#N)CCC1 ZINC000717350309 712649979 /nfs/dbraw/zinc/64/99/79/712649979.db2.gz PVHDUFJFVAIFJQ-HTQZYQBOSA-N 0 0 212.249 -0.462 20 30 BBEDRN C[C@H](O)[C@H](O)CNC(=O)C1(C#N)CCC1 ZINC000717350312 712649912 /nfs/dbraw/zinc/64/99/12/712649912.db2.gz PVHDUFJFVAIFJQ-JGVFFNPUSA-N 0 0 212.249 -0.462 20 30 BBEDRN C[C@@H](O)[C@@H](O)CNC(=O)C1(C#N)CCC1 ZINC000717350314 712649986 /nfs/dbraw/zinc/64/99/86/712649986.db2.gz PVHDUFJFVAIFJQ-SFYZADRCSA-N 0 0 212.249 -0.462 20 30 BBEDRN C[C@H](O)[C@@H](O)CNC(=O)C1(C#N)CCC1 ZINC000717350315 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586182471 /nfs/dbraw/zinc/18/24/71/586182471.db2.gz GBKGMZMNFMTMDR-UHFFFAOYSA-N 0 0 224.220 -0.707 20 30 BBEDRN C#CCNC(=S)N[C@H]1C(=O)NCC[C@H]1C ZINC000799508353 644831845 /nfs/dbraw/zinc/83/18/45/644831845.db2.gz IRYVLLWKIZUHKZ-HTQZYQBOSA-N 0 0 225.317 -0.392 20 30 BBEDRN C#CCNC(=S)N[C@H]1C(=O)NCC[C@@H]1C ZINC000799508354 644831814 /nfs/dbraw/zinc/83/18/14/644831814.db2.gz IRYVLLWKIZUHKZ-JGVFFNPUSA-N 0 0 225.317 -0.392 20 30 BBEDRN C#CCNC(=S)N[C@@H]1C(=O)NCC[C@H]1C ZINC000799508355 644831696 /nfs/dbraw/zinc/83/16/96/644831696.db2.gz IRYVLLWKIZUHKZ-SFYZADRCSA-N 0 0 225.317 -0.392 20 30 BBEDRN C#CCNC(=S)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000799508356 644831630 /nfs/dbraw/zinc/83/16/30/644831630.db2.gz IRYVLLWKIZUHKZ-YUMQZZPRSA-N 0 0 225.317 -0.392 20 30 BBEDRN C#CCNC(=S)N1CCOC[C@]12CCOC2 ZINC000799509731 586183138 /nfs/dbraw/zinc/18/31/38/586183138.db2.gz DLMYATJBHGTMJM-LLVKDONJSA-N 0 0 240.328 -0.015 20 30 BBEDRN C#CCNC(=S)N1CCOC[C@@]12CCOC2 ZINC000799509732 586183322 /nfs/dbraw/zinc/18/33/22/586183322.db2.gz DLMYATJBHGTMJM-NSHDSACASA-N 0 0 240.328 -0.015 20 30 BBEDRN C#CCNC(=S)NCC1([S@](C)=O)CC1 ZINC000799512877 586183270 /nfs/dbraw/zinc/18/32/70/586183270.db2.gz WBDYNDSSHVXPHW-AWEZNQCLSA-N 0 0 230.358 -0.005 20 30 BBEDRN C#CCNC(=S)NCC1([S@@](C)=O)CC1 ZINC000799512880 586183279 /nfs/dbraw/zinc/18/32/79/586183279.db2.gz WBDYNDSSHVXPHW-CQSZACIVSA-N 0 0 230.358 -0.005 20 30 BBEDRN Cn1nnc(COC(=O)c2ccc(C#N)[nH]2)n1 ZINC000799515244 586183696 /nfs/dbraw/zinc/18/36/96/586183696.db2.gz UNPTYLSKIRWYHY-UHFFFAOYSA-N 0 0 232.203 -0.233 20 30 BBEDRN Cn1nnc(COC(=O)c2ccnc(C#N)c2)n1 ZINC000799515753 586183645 /nfs/dbraw/zinc/18/36/45/586183645.db2.gz JNANTFQDPWMGAE-UHFFFAOYSA-N 0 0 244.214 -0.166 20 30 BBEDRN Cn1nnc(COC(=O)c2c[nH]c(C#N)c2)n1 ZINC000799516182 586183726 /nfs/dbraw/zinc/18/37/26/586183726.db2.gz QAKDJTRPGCXJPL-UHFFFAOYSA-N 0 0 232.203 -0.233 20 30 BBEDRN CCOCC1(C(=O)OCC(=O)NCC#N)CC1 ZINC000799558833 586185135 /nfs/dbraw/zinc/18/51/35/586185135.db2.gz 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/nfs/dbraw/zinc/81/50/39/588815039.db2.gz PERHIWVECDRZEC-JTQLQIEISA-N 0 0 248.238 -0.121 20 30 BBEDRN N#C[C@H](CO)NC(=O)COc1ccccc1C=O ZINC000854872783 588815060 /nfs/dbraw/zinc/81/50/60/588815060.db2.gz PERHIWVECDRZEC-SNVBAGLBSA-N 0 0 248.238 -0.121 20 30 BBEDRN C#CCN1CCC[C@H]1C(=O)N[C@@H](C#N)CO ZINC000854872818 588815071 /nfs/dbraw/zinc/81/50/71/588815071.db2.gz PRHPRXFMWWKEMK-UWVGGRQHSA-N 0 0 221.260 -0.915 20 30 BBEDRN C#CCN1CCC[C@H]1C(=O)N[C@H](C#N)CO ZINC000854872820 588815052 /nfs/dbraw/zinc/81/50/52/588815052.db2.gz PRHPRXFMWWKEMK-ZJUUUORDSA-N 0 0 221.260 -0.915 20 30 BBEDRN COC(=O)N(C)CCCC(=O)N[C@H](C#N)CO ZINC000854872933 588815011 /nfs/dbraw/zinc/81/50/11/588815011.db2.gz QJJRGCZFIBRIEV-MRVPVSSYSA-N 0 0 243.263 -0.535 20 30 BBEDRN COC(=O)N(C)CCCC(=O)N[C@@H](C#N)CO ZINC000854872934 588815118 /nfs/dbraw/zinc/81/51/18/588815118.db2.gz QJJRGCZFIBRIEV-QMMMGPOBSA-N 0 0 243.263 -0.535 20 30 BBEDRN N#C[C@@H](CO)NC(=O)COc1cccc(C=O)c1 ZINC000854873249 588815051 /nfs/dbraw/zinc/81/50/51/588815051.db2.gz TWOYCNUEERDLRW-JTQLQIEISA-N 0 0 248.238 -0.121 20 30 BBEDRN N#C[C@H](CO)NC(=O)COc1cccc(C=O)c1 ZINC000854873250 588815116 /nfs/dbraw/zinc/81/51/16/588815116.db2.gz TWOYCNUEERDLRW-SNVBAGLBSA-N 0 0 248.238 -0.121 20 30 BBEDRN N#C[C@@H](CO)NC(=O)COc1ccc(C=O)cc1 ZINC000854873281 588815093 /nfs/dbraw/zinc/81/50/93/588815093.db2.gz UKNPLNCECKTAPA-JTQLQIEISA-N 0 0 248.238 -0.121 20 30 BBEDRN N#C[C@H](CO)NC(=O)COc1ccc(C=O)cc1 ZINC000854873282 588815029 /nfs/dbraw/zinc/81/50/29/588815029.db2.gz UKNPLNCECKTAPA-SNVBAGLBSA-N 0 0 248.238 -0.121 20 30 BBEDRN C=C[C@H](O)C(=O)NCCNC(=O)OC ZINC000854885166 588815501 /nfs/dbraw/zinc/81/55/01/588815501.db2.gz ATQKSFNMJWFJHA-LURJTMIESA-N 0 0 202.210 -0.995 20 30 BBEDRN C=C[C@@H](O)C(=O)NCCNC(=O)OC ZINC000854885167 588815547 /nfs/dbraw/zinc/81/55/47/588815547.db2.gz ATQKSFNMJWFJHA-ZCFIWIBFSA-N 0 0 202.210 -0.995 20 30 BBEDRN C=C[C@@](C)(O)C(=O)NCCNC(=O)OC ZINC000854885560 588815509 /nfs/dbraw/zinc/81/55/09/588815509.db2.gz SSLRQDXVICAZON-SECBINFHSA-N 0 0 216.237 -0.604 20 30 BBEDRN C=C[C@](C)(O)C(=O)NCCNC(=O)OC ZINC000854885561 588815483 /nfs/dbraw/zinc/81/54/83/588815483.db2.gz SSLRQDXVICAZON-VIFPVBQESA-N 0 0 216.237 -0.604 20 30 BBEDRN CC(C)C#CC(=O)N1CC(S(C)(=O)=O)C1 ZINC000854892480 588815723 /nfs/dbraw/zinc/81/57/23/588815723.db2.gz ZNXZOMILLSSBQJ-UHFFFAOYSA-N 0 0 229.301 -0.099 20 30 BBEDRN CC(C)C#CC(=O)N1CCOC[C@@H]1CC(N)=O ZINC000854893756 588815788 /nfs/dbraw/zinc/81/57/88/588815788.db2.gz MUMZZGYSLPJMDA-JTQLQIEISA-N 0 0 238.287 -0.251 20 30 BBEDRN CC(C)C#CC(=O)N1CCOC[C@H]1CC(N)=O ZINC000854893757 588815743 /nfs/dbraw/zinc/81/57/43/588815743.db2.gz MUMZZGYSLPJMDA-SNVBAGLBSA-N 0 0 238.287 -0.251 20 30 BBEDRN COCCN(CC#N)C(=O)C[C@H]1CCC(=O)N1 ZINC000854900982 588816091 /nfs/dbraw/zinc/81/60/91/588816091.db2.gz CBBZDAHOQXUFHR-SECBINFHSA-N 0 0 239.275 -0.346 20 30 BBEDRN COCCN(CC#N)C(=O)C[C@@H]1CCC(=O)N1 ZINC000854900983 588816121 /nfs/dbraw/zinc/81/61/21/588816121.db2.gz CBBZDAHOQXUFHR-VIFPVBQESA-N 0 0 239.275 -0.346 20 30 BBEDRN COCCN(CC#N)C(=O)Cc1ncc[nH]1 ZINC000854901511 588816160 /nfs/dbraw/zinc/81/61/60/588816160.db2.gz LNMFHVKWEVLHSN-UHFFFAOYSA-N 0 0 222.248 -0.049 20 30 BBEDRN CC(C)C#CC(=O)N1CCC[C@](O)(CO)C1 ZINC000854906394 588816465 /nfs/dbraw/zinc/81/64/65/588816465.db2.gz BWDFFTFLTRSSIQ-GFCCVEGCSA-N 0 0 225.288 -0.008 20 30 BBEDRN CC(C)C#CC(=O)N1CCC[C@@](O)(CO)C1 ZINC000854906396 588815619 /nfs/dbraw/zinc/81/56/19/588815619.db2.gz BWDFFTFLTRSSIQ-LBPRGKRZSA-N 0 0 225.288 -0.008 20 30 BBEDRN C#CC[C@H](NC(=O)[C@](C)(O)C=C)C(=O)OC ZINC000854910103 712614394 /nfs/dbraw/zinc/61/43/94/712614394.db2.gz OWOPRKXZVVNUJL-GZMMTYOYSA-N 0 0 225.244 -0.396 20 30 BBEDRN C#CC[C@@H](NC(=O)[C@@](C)(O)C=C)C(=O)OC ZINC000854910104 712614369 /nfs/dbraw/zinc/61/43/69/712614369.db2.gz OWOPRKXZVVNUJL-KCJUWKMLSA-N 0 0 225.244 -0.396 20 30 BBEDRN C#CC[C@H](NC(=O)[C@@](C)(O)C=C)C(=O)OC ZINC000854910105 712614389 /nfs/dbraw/zinc/61/43/89/712614389.db2.gz OWOPRKXZVVNUJL-KWQFWETISA-N 0 0 225.244 -0.396 20 30 BBEDRN C#CC[C@@H](NC(=O)[C@](C)(O)C=C)C(=O)OC ZINC000854910106 712614364 /nfs/dbraw/zinc/61/43/64/712614364.db2.gz OWOPRKXZVVNUJL-LDYMZIIASA-N 0 0 225.244 -0.396 20 30 BBEDRN C#CC[C@@H](NC(=O)[C@@H](O)C1CC1)C(=O)OC ZINC000854910113 712614368 /nfs/dbraw/zinc/61/43/68/712614368.db2.gz OYWHARCJPZNFEP-BDAKNGLRSA-N 0 0 225.244 -0.562 20 30 BBEDRN C#CC[C@H](NC(=O)[C@@H](O)C1CC1)C(=O)OC ZINC000854910115 712614406 /nfs/dbraw/zinc/61/44/06/712614406.db2.gz OYWHARCJPZNFEP-IUCAKERBSA-N 0 0 225.244 -0.562 20 30 BBEDRN C#CC[C@@H](NC(=O)[C@H](O)C1CC1)C(=O)OC ZINC000854910116 712614380 /nfs/dbraw/zinc/61/43/80/712614380.db2.gz OYWHARCJPZNFEP-RKDXNWHRSA-N 0 0 225.244 -0.562 20 30 BBEDRN CC(C)C#CC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000854910269 645515229 /nfs/dbraw/zinc/51/52/29/645515229.db2.gz SGTUOQQVKIPAOY-NXEZZACHSA-N 0 0 211.261 -0.543 20 30 BBEDRN CC(C)C#CC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000854910270 645515116 /nfs/dbraw/zinc/51/51/16/645515116.db2.gz SGTUOQQVKIPAOY-UWVGGRQHSA-N 0 0 211.261 -0.543 20 30 BBEDRN CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000854910271 645515816 /nfs/dbraw/zinc/51/58/16/645515816.db2.gz SGTUOQQVKIPAOY-VHSXEESVSA-N 0 0 211.261 -0.543 20 30 BBEDRN CC(C)C#CC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000854910272 645516012 /nfs/dbraw/zinc/51/60/12/645516012.db2.gz SGTUOQQVKIPAOY-ZJUUUORDSA-N 0 0 211.261 -0.543 20 30 BBEDRN C#CC[C@@H](NC(=O)[C@@H]1CC(C)=NO1)C(=O)OC ZINC000854910408 645515377 /nfs/dbraw/zinc/51/53/77/645515377.db2.gz VYWRCHNGQMYNIO-BDAKNGLRSA-N 0 0 238.243 -0.168 20 30 BBEDRN C#CC[C@H](NC(=O)[C@H]1CC(C)=NO1)C(=O)OC ZINC000854910409 645515974 /nfs/dbraw/zinc/51/59/74/645515974.db2.gz VYWRCHNGQMYNIO-DTWKUNHWSA-N 0 0 238.243 -0.168 20 30 BBEDRN C#CC[C@H](NC(=O)[C@@H]1CC(C)=NO1)C(=O)OC ZINC000854910410 645515954 /nfs/dbraw/zinc/51/59/54/645515954.db2.gz VYWRCHNGQMYNIO-IUCAKERBSA-N 0 0 238.243 -0.168 20 30 BBEDRN C#CC[C@@H](NC(=O)[C@H]1CC(C)=NO1)C(=O)OC ZINC000854910411 645515493 /nfs/dbraw/zinc/51/54/93/645515493.db2.gz VYWRCHNGQMYNIO-RKDXNWHRSA-N 0 0 238.243 -0.168 20 30 BBEDRN C#CC[C@@H](NC(=O)c1ncc[nH]1)C(=O)OC ZINC000854910542 645515800 /nfs/dbraw/zinc/51/58/00/645515800.db2.gz XILBQOPUCSRZHJ-SSDOTTSWSA-N 0 0 221.216 -0.296 20 30 BBEDRN C#CC[C@H](NC(=O)c1ncc[nH]1)C(=O)OC ZINC000854910544 645515312 /nfs/dbraw/zinc/51/53/12/645515312.db2.gz XILBQOPUCSRZHJ-ZETCQYMHSA-N 0 0 221.216 -0.296 20 30 BBEDRN CC(C)C#CC(=O)NC[C@H](O)Cn1ccnn1 ZINC000854912255 645515484 /nfs/dbraw/zinc/51/54/84/645515484.db2.gz DIBBXDFEGQNMMD-JTQLQIEISA-N 0 0 236.275 -0.585 20 30 BBEDRN CC(C)C#CC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000854912256 645515162 /nfs/dbraw/zinc/51/51/62/645515162.db2.gz DIBBXDFEGQNMMD-SNVBAGLBSA-N 0 0 236.275 -0.585 20 30 BBEDRN C=C[C@@H](O)C(=O)NC[C@H](F)C(=O)OC ZINC000854913396 588816501 /nfs/dbraw/zinc/81/65/01/588816501.db2.gz HYNRYCIAZOBFFO-NTSWFWBYSA-N 0 0 205.185 -0.839 20 30 BBEDRN C=C[C@H](O)C(=O)NC[C@H](F)C(=O)OC ZINC000854913399 588816645 /nfs/dbraw/zinc/81/66/45/588816645.db2.gz HYNRYCIAZOBFFO-WDSKDSINSA-N 0 0 205.185 -0.839 20 30 BBEDRN C=C[C@@](C)(O)C(=O)NC[C@H](F)C(=O)OC ZINC000854914326 588816533 /nfs/dbraw/zinc/81/65/33/588816533.db2.gz OXMCKXPAUREVDC-IMTBSYHQSA-N 0 0 219.212 -0.449 20 30 BBEDRN C=C[C@](C)(O)C(=O)NC[C@H](F)C(=O)OC ZINC000854914328 588816529 /nfs/dbraw/zinc/81/65/29/588816529.db2.gz OXMCKXPAUREVDC-RCOVLWMOSA-N 0 0 219.212 -0.449 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)c1ncc[nH]1 ZINC000854916355 588816525 /nfs/dbraw/zinc/81/65/25/588816525.db2.gz APAYLAMFXYBOJW-MRVPVSSYSA-N 0 0 205.217 -0.116 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)c1ncc[nH]1 ZINC000854916358 588816589 /nfs/dbraw/zinc/81/65/89/588816589.db2.gz APAYLAMFXYBOJW-QMMMGPOBSA-N 0 0 205.217 -0.116 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)Cc1ncc[nH]1 ZINC000854916543 588816925 /nfs/dbraw/zinc/81/69/25/588816925.db2.gz DENMUMDWWNONLX-SECBINFHSA-N 0 0 219.244 -0.187 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)Cc1ncc[nH]1 ZINC000854916544 588816856 /nfs/dbraw/zinc/81/68/56/588816856.db2.gz DENMUMDWWNONLX-VIFPVBQESA-N 0 0 219.244 -0.187 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)c1cnc(C)nc1N ZINC000854916769 588816793 /nfs/dbraw/zinc/81/67/93/588816793.db2.gz HJHGREWSXOLJPZ-SECBINFHSA-N 0 0 246.270 -0.159 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)c1cnc(C)nc1N ZINC000854916770 588816775 /nfs/dbraw/zinc/81/67/75/588816775.db2.gz HJHGREWSXOLJPZ-VIFPVBQESA-N 0 0 246.270 -0.159 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854917040 588816760 /nfs/dbraw/zinc/81/67/60/588816760.db2.gz KYHFRYVNAMTCID-UKKRHICBSA-N 0 0 221.256 -0.261 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854917041 588816899 /nfs/dbraw/zinc/81/68/99/588816899.db2.gz KYHFRYVNAMTCID-ZNSHCXBVSA-N 0 0 221.256 -0.261 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)C[C@H]1CC(=O)N1 ZINC000854917207 588816753 /nfs/dbraw/zinc/81/67/53/588816753.db2.gz MNXLJCUNOAAISC-BDAKNGLRSA-N 0 0 222.244 -0.874 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)C[C@@H]1CC(=O)N1 ZINC000854917208 588816865 /nfs/dbraw/zinc/81/68/65/588816865.db2.gz MNXLJCUNOAAISC-DTWKUNHWSA-N 0 0 222.244 -0.874 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)C[C@@H]1CC(=O)N1 ZINC000854917209 588816840 /nfs/dbraw/zinc/81/68/40/588816840.db2.gz MNXLJCUNOAAISC-IUCAKERBSA-N 0 0 222.244 -0.874 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)C[C@H]1CC(=O)N1 ZINC000854917210 588816709 /nfs/dbraw/zinc/81/67/09/588816709.db2.gz MNXLJCUNOAAISC-RKDXNWHRSA-N 0 0 222.244 -0.874 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)CCc1cn(C)nn1 ZINC000854917215 588816898 /nfs/dbraw/zinc/81/68/98/588816898.db2.gz MQWZVOWQIFAQIH-LLVKDONJSA-N 0 0 248.286 -0.392 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)CCc1cn(C)nn1 ZINC000854917216 583095114 /nfs/dbraw/zinc/09/51/14/583095114.db2.gz MQWZVOWQIFAQIH-NSHDSACASA-N 0 0 248.286 -0.392 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)Cc1nnc(C)[nH]1 ZINC000854917245 588816726 /nfs/dbraw/zinc/81/67/26/588816726.db2.gz NKIOHUVLEYCRHS-SECBINFHSA-N 0 0 234.259 -0.484 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)Cc1nnc(C)[nH]1 ZINC000854917246 588816715 /nfs/dbraw/zinc/81/67/15/588816715.db2.gz NKIOHUVLEYCRHS-VIFPVBQESA-N 0 0 234.259 -0.484 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)CCS(C)(=O)=O ZINC000854917394 588816810 /nfs/dbraw/zinc/81/68/10/588816810.db2.gz OIYKDOFNBKYENS-SECBINFHSA-N 0 0 245.300 -0.718 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)CCS(C)(=O)=O ZINC000854917395 588816895 /nfs/dbraw/zinc/81/68/95/588816895.db2.gz OIYKDOFNBKYENS-VIFPVBQESA-N 0 0 245.300 -0.718 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000854917478 588816782 /nfs/dbraw/zinc/81/67/82/588816782.db2.gz PHXIMWHJCJQRQP-MRVPVSSYSA-N 0 0 235.243 -0.400 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000854917479 588816795 /nfs/dbraw/zinc/81/67/95/588816795.db2.gz PHXIMWHJCJQRQP-QMMMGPOBSA-N 0 0 235.243 -0.400 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)c1ccn(COC)n1 ZINC000854917742 588816792 /nfs/dbraw/zinc/81/67/92/588816792.db2.gz RWIYCACMRJGYPT-JTQLQIEISA-N 0 0 249.270 -0.039 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)c1ccn(COC)n1 ZINC000854917743 588816748 /nfs/dbraw/zinc/81/67/48/588816748.db2.gz RWIYCACMRJGYPT-SNVBAGLBSA-N 0 0 249.270 -0.039 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC000854917800 588816872 /nfs/dbraw/zinc/81/68/72/588816872.db2.gz SXAHPPFDCPKGGT-NXEZZACHSA-N 0 0 236.271 -0.484 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC000854917802 588816727 /nfs/dbraw/zinc/81/67/27/588816727.db2.gz SXAHPPFDCPKGGT-UWVGGRQHSA-N 0 0 236.271 -0.484 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC000854917803 588816741 /nfs/dbraw/zinc/81/67/41/588816741.db2.gz SXAHPPFDCPKGGT-VHSXEESVSA-N 0 0 236.271 -0.484 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC000854917805 588816736 /nfs/dbraw/zinc/81/67/36/588816736.db2.gz SXAHPPFDCPKGGT-ZJUUUORDSA-N 0 0 236.271 -0.484 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)COCC(=O)OC ZINC000854917807 588816911 /nfs/dbraw/zinc/81/69/11/588816911.db2.gz SYWXFUNZUHSFNB-SECBINFHSA-N 0 0 241.243 -0.963 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)COCC(=O)OC ZINC000854917808 588816785 /nfs/dbraw/zinc/81/67/85/588816785.db2.gz SYWXFUNZUHSFNB-VIFPVBQESA-N 0 0 241.243 -0.963 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)Cc1cnnn1C ZINC000854917841 588816755 /nfs/dbraw/zinc/81/67/55/588816755.db2.gz UGTIIWJRGGZODY-SECBINFHSA-N 0 0 234.259 -0.782 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)Cc1cnnn1C ZINC000854917842 588816803 /nfs/dbraw/zinc/81/68/03/588816803.db2.gz UGTIIWJRGGZODY-VIFPVBQESA-N 0 0 234.259 -0.782 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)[C@H](O)C1CC1 ZINC000854917857 588816764 /nfs/dbraw/zinc/81/67/64/588816764.db2.gz ULNVMKMDCJOSIA-NXEZZACHSA-N 0 0 209.245 -0.382 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)[C@@H](O)C1CC1 ZINC000854917859 588816913 /nfs/dbraw/zinc/81/69/13/588816913.db2.gz ULNVMKMDCJOSIA-UWVGGRQHSA-N 0 0 209.245 -0.382 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)[C@H](O)C1CC1 ZINC000854917861 588816728 /nfs/dbraw/zinc/81/67/28/588816728.db2.gz ULNVMKMDCJOSIA-VHSXEESVSA-N 0 0 209.245 -0.382 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)[C@@H](O)C1CC1 ZINC000854917863 588816864 /nfs/dbraw/zinc/81/68/64/588816864.db2.gz ULNVMKMDCJOSIA-ZJUUUORDSA-N 0 0 209.245 -0.382 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)[C@@H](COC)OC ZINC000854917934 588816718 /nfs/dbraw/zinc/81/67/18/588816718.db2.gz VVFQPMQMMQQCCO-NXEZZACHSA-N 0 0 227.260 -0.492 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)[C@H](COC)OC ZINC000854917935 588816814 /nfs/dbraw/zinc/81/68/14/588816814.db2.gz VVFQPMQMMQQCCO-UWVGGRQHSA-N 0 0 227.260 -0.492 20 30 BBEDRN C#C[C@H]1COCCN1C(=O)[C@@H](COC)OC ZINC000854917936 588816811 /nfs/dbraw/zinc/81/68/11/588816811.db2.gz VVFQPMQMMQQCCO-VHSXEESVSA-N 0 0 227.260 -0.492 20 30 BBEDRN C#C[C@@H]1COCCN1C(=O)[C@H](COC)OC ZINC000854917937 588816879 /nfs/dbraw/zinc/81/68/79/588816879.db2.gz VVFQPMQMMQQCCO-ZJUUUORDSA-N 0 0 227.260 -0.492 20 30 BBEDRN C=C[C@](C)(O)C(=O)NCCS(=O)(=O)C1CC1 ZINC000854938609 588817211 /nfs/dbraw/zinc/81/72/11/588817211.db2.gz ODUKYOMFURPJND-JTQLQIEISA-N 0 0 247.316 -0.383 20 30 BBEDRN C=C[C@@](C)(O)C(=O)NCCS(=O)(=O)C1CC1 ZINC000854938610 588817333 /nfs/dbraw/zinc/81/73/33/588817333.db2.gz ODUKYOMFURPJND-SNVBAGLBSA-N 0 0 247.316 -0.383 20 30 BBEDRN C=C[C@@H](O)C(=O)NCCS(=O)(=O)C1CC1 ZINC000854941017 588817284 /nfs/dbraw/zinc/81/72/84/588817284.db2.gz OQITUGZXOYQTNU-MRVPVSSYSA-N 0 0 233.289 -0.773 20 30 BBEDRN C=C[C@H](O)C(=O)NCCS(=O)(=O)C1CC1 ZINC000854941018 588817385 /nfs/dbraw/zinc/81/73/85/588817385.db2.gz OQITUGZXOYQTNU-QMMMGPOBSA-N 0 0 233.289 -0.773 20 30 BBEDRN C=C[C@@H](O)C(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC000854961022 588818932 /nfs/dbraw/zinc/81/89/32/588818932.db2.gz KWFGHDBRFODTOS-SSDOTTSWSA-N 0 0 226.232 -0.804 20 30 BBEDRN C=C[C@H](O)C(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC000854961024 588818937 /nfs/dbraw/zinc/81/89/37/588818937.db2.gz KWFGHDBRFODTOS-ZETCQYMHSA-N 0 0 226.232 -0.804 20 30 BBEDRN C=C[C@](C)(O)C(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC000854963472 588819289 /nfs/dbraw/zinc/81/92/89/588819289.db2.gz NKJPLOCFFMNXDH-JTQLQIEISA-N 0 0 240.259 -0.414 20 30 BBEDRN C=C[C@@](C)(O)C(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC000854963475 588819085 /nfs/dbraw/zinc/81/90/85/588819085.db2.gz NKJPLOCFFMNXDH-SNVBAGLBSA-N 0 0 240.259 -0.414 20 30 BBEDRN C=C[C@H](O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000854964240 588819131 /nfs/dbraw/zinc/81/91/31/588819131.db2.gz FHZSWUAHZJPFMB-BDAKNGLRSA-N 0 0 229.276 -0.468 20 30 BBEDRN C=C[C@@H](O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000854964246 588819177 /nfs/dbraw/zinc/81/91/77/588819177.db2.gz FHZSWUAHZJPFMB-DTWKUNHWSA-N 0 0 229.276 -0.468 20 30 BBEDRN C=C[C@H](O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000854964247 588819190 /nfs/dbraw/zinc/81/91/90/588819190.db2.gz FHZSWUAHZJPFMB-IUCAKERBSA-N 0 0 229.276 -0.468 20 30 BBEDRN C=C[C@@H](O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000854964249 588819205 /nfs/dbraw/zinc/81/92/05/588819205.db2.gz FHZSWUAHZJPFMB-RKDXNWHRSA-N 0 0 229.276 -0.468 20 30 BBEDRN C=C[C@@](C)(O)C(=O)NCC(=O)N(C)OC ZINC000854966056 588819196 /nfs/dbraw/zinc/81/91/96/588819196.db2.gz QBVLPFMQXORVNX-SECBINFHSA-N 0 0 216.237 -0.941 20 30 BBEDRN C=C[C@](C)(O)C(=O)NCC(=O)N(C)OC ZINC000854966057 588819101 /nfs/dbraw/zinc/81/91/01/588819101.db2.gz QBVLPFMQXORVNX-VIFPVBQESA-N 0 0 216.237 -0.941 20 30 BBEDRN CON(C)C(=O)CNC(=O)[C@H](C)CC#N ZINC000854966148 588819120 /nfs/dbraw/zinc/81/91/20/588819120.db2.gz RPRILTLCWZPVNB-SSDOTTSWSA-N 0 0 213.237 -0.328 20 30 BBEDRN CON(C)C(=O)CNC(=O)[C@@H](C)CC#N ZINC000854966150 588819160 /nfs/dbraw/zinc/81/91/60/588819160.db2.gz RPRILTLCWZPVNB-ZETCQYMHSA-N 0 0 213.237 -0.328 20 30 BBEDRN CON(C)C(=O)CNC(=O)C#CC(C)C ZINC000854966157 588819225 /nfs/dbraw/zinc/81/92/25/588819225.db2.gz SADZDTLZAJWTDR-UHFFFAOYSA-N 0 0 212.249 -0.218 20 30 BBEDRN C=C[C@@](C)(O)C(=O)N1CC2(C1)CNC(=O)O2 ZINC000854967916 588819276 /nfs/dbraw/zinc/81/92/76/588819276.db2.gz NCZOQGBASPFHJS-SECBINFHSA-N 0 0 226.232 -0.756 20 30 BBEDRN C=C[C@](C)(O)C(=O)N1CC2(C1)CNC(=O)O2 ZINC000854967917 588819092 /nfs/dbraw/zinc/81/90/92/588819092.db2.gz NCZOQGBASPFHJS-VIFPVBQESA-N 0 0 226.232 -0.756 20 30 BBEDRN CC(C)C#CC(=O)N1CC2(C1)CNC(=O)O2 ZINC000854968782 588819343 /nfs/dbraw/zinc/81/93/43/588819343.db2.gz ZKMNDBOZZOTCFO-UHFFFAOYSA-N 0 0 222.244 -0.033 20 30 BBEDRN C=C[C@@H](O)C(=O)NCc1nn(CC)nc1C ZINC000854980580 588819650 /nfs/dbraw/zinc/81/96/50/588819650.db2.gz DDHGEJJSDFHTGS-SECBINFHSA-N 0 0 224.264 -0.230 20 30 BBEDRN C=C[C@H](O)C(=O)NCc1nn(CC)nc1C ZINC000854980581 588819608 /nfs/dbraw/zinc/81/96/08/588819608.db2.gz DDHGEJJSDFHTGS-VIFPVBQESA-N 0 0 224.264 -0.230 20 30 BBEDRN CC(C)C#CC(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000854987602 588819831 /nfs/dbraw/zinc/81/98/31/588819831.db2.gz SKXUHGAJFQAWCQ-SECBINFHSA-N 0 0 236.271 -0.091 20 30 BBEDRN CC(C)C#CC(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000854987604 588819751 /nfs/dbraw/zinc/81/97/51/588819751.db2.gz SKXUHGAJFQAWCQ-VIFPVBQESA-N 0 0 236.271 -0.091 20 30 BBEDRN C=C[C@](C)(O)C(=O)NCC(=O)N(CC)OC ZINC000855008596 588820192 /nfs/dbraw/zinc/82/01/92/588820192.db2.gz QUAKNBXSFMJWMJ-JTQLQIEISA-N 0 0 230.264 -0.551 20 30 BBEDRN C=C[C@@](C)(O)C(=O)NCC(=O)N(CC)OC ZINC000855008597 588820288 /nfs/dbraw/zinc/82/02/88/588820288.db2.gz QUAKNBXSFMJWMJ-SNVBAGLBSA-N 0 0 230.264 -0.551 20 30 BBEDRN C=C[C@](C)(O)C(=O)NCC(=O)N(C)OCC ZINC000855025060 588820871 /nfs/dbraw/zinc/82/08/71/588820871.db2.gz ZVEBWDVKZUFISK-JTQLQIEISA-N 0 0 230.264 -0.551 20 30 BBEDRN C=C[C@@](C)(O)C(=O)NCC(=O)N(C)OCC ZINC000855025061 588820626 /nfs/dbraw/zinc/82/06/26/588820626.db2.gz ZVEBWDVKZUFISK-SNVBAGLBSA-N 0 0 230.264 -0.551 20 30 BBEDRN C=C[C@@H](O)C(=O)NCC(=O)N(C)OCC ZINC000855025065 588820798 /nfs/dbraw/zinc/82/07/98/588820798.db2.gz ZYEKSLGFVNLBEM-SSDOTTSWSA-N 0 0 216.237 -0.941 20 30 BBEDRN C=C[C@H](O)C(=O)NCC(=O)N(C)OCC ZINC000855025066 588820850 /nfs/dbraw/zinc/82/08/50/588820850.db2.gz ZYEKSLGFVNLBEM-ZETCQYMHSA-N 0 0 216.237 -0.941 20 30 BBEDRN C=C[C@H](C)ONC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000855026301 588820837 /nfs/dbraw/zinc/82/08/37/588820837.db2.gz AVZIAJOURVRDBL-JZKKDOLYSA-N 0 0 243.259 -0.979 20 30 BBEDRN C=C[C@@H](C)ONC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000855026302 588820860 /nfs/dbraw/zinc/82/08/60/588820860.db2.gz AVZIAJOURVRDBL-PEBGCTIMSA-N 0 0 243.259 -0.979 20 30 BBEDRN C=C[C@@H](C)ONC(=O)c1nc2n(n1)CCCN2 ZINC000855026853 588821165 /nfs/dbraw/zinc/82/11/65/588821165.db2.gz QVKMLGUDSWCSPY-SSDOTTSWSA-N 0 0 237.263 -0.413 20 30 BBEDRN C=C[C@H](C)ONC(=O)c1nc2n(n1)CCCN2 ZINC000855026854 588821164 /nfs/dbraw/zinc/82/11/64/588821164.db2.gz QVKMLGUDSWCSPY-ZETCQYMHSA-N 0 0 237.263 -0.413 20 30 BBEDRN C=C(C)CONC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000855027031 588821076 /nfs/dbraw/zinc/82/10/76/588821076.db2.gz WMXCIWDIXBTDOC-OPRDCNLKSA-N 0 0 243.259 -0.977 20 30 BBEDRN C=C(C)CONC(=O)c1nc2n(n1)CCCN2 ZINC000855027197 583096387 /nfs/dbraw/zinc/09/63/87/583096387.db2.gz ZCAKOUCVXUZSIX-UHFFFAOYSA-N 0 0 237.263 -0.411 20 30 BBEDRN C#C[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000855047897 588821634 /nfs/dbraw/zinc/82/16/34/588821634.db2.gz LOSLAQGYZWMVMI-NXEZZACHSA-N 0 0 235.287 -0.118 20 30 BBEDRN C#C[C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000855047898 588821637 /nfs/dbraw/zinc/82/16/37/588821637.db2.gz LOSLAQGYZWMVMI-UWVGGRQHSA-N 0 0 235.287 -0.118 20 30 BBEDRN C#C[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000855047899 588821628 /nfs/dbraw/zinc/82/16/28/588821628.db2.gz LOSLAQGYZWMVMI-VHSXEESVSA-N 0 0 235.287 -0.118 20 30 BBEDRN C#C[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000855047900 588821559 /nfs/dbraw/zinc/82/15/59/588821559.db2.gz LOSLAQGYZWMVMI-ZJUUUORDSA-N 0 0 235.287 -0.118 20 30 BBEDRN C#C[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000855047972 588821587 /nfs/dbraw/zinc/82/15/87/588821587.db2.gz NQAKOHBULREFBR-NXEZZACHSA-N 0 0 220.272 -0.006 20 30 BBEDRN C#C[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000855047973 588821601 /nfs/dbraw/zinc/82/16/01/588821601.db2.gz NQAKOHBULREFBR-UWVGGRQHSA-N 0 0 220.272 -0.006 20 30 BBEDRN C#C[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000855047974 588821548 /nfs/dbraw/zinc/82/15/48/588821548.db2.gz NQAKOHBULREFBR-VHSXEESVSA-N 0 0 220.272 -0.006 20 30 BBEDRN C#C[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000855047975 588821674 /nfs/dbraw/zinc/82/16/74/588821674.db2.gz NQAKOHBULREFBR-ZJUUUORDSA-N 0 0 220.272 -0.006 20 30 BBEDRN C#C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N2)C1 ZINC000855047995 588821697 /nfs/dbraw/zinc/82/16/97/588821697.db2.gz OCMLYWKNZMSIBQ-BDAKNGLRSA-N 0 0 206.245 -0.253 20 30 BBEDRN C#C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N2)C1 ZINC000855047996 588821580 /nfs/dbraw/zinc/82/15/80/588821580.db2.gz OCMLYWKNZMSIBQ-DTWKUNHWSA-N 0 0 206.245 -0.253 20 30 BBEDRN C#C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N2)C1 ZINC000855047997 588821543 /nfs/dbraw/zinc/82/15/43/588821543.db2.gz OCMLYWKNZMSIBQ-IUCAKERBSA-N 0 0 206.245 -0.253 20 30 BBEDRN C#C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N2)C1 ZINC000855047998 588821500 /nfs/dbraw/zinc/82/15/00/588821500.db2.gz OCMLYWKNZMSIBQ-RKDXNWHRSA-N 0 0 206.245 -0.253 20 30 BBEDRN CC(C)C#CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000855049939 588821744 /nfs/dbraw/zinc/82/17/44/588821744.db2.gz FESNJRTYLWLXSH-NWDGAFQWSA-N 0 0 236.315 -0.077 20 30 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BBEDRN C#C[C@@H](CO)NS(=O)(=O)c1cncn1CC ZINC000867339239 588154242 /nfs/dbraw/zinc/15/42/42/588154242.db2.gz DHJJWUDWLWWJMB-QMMMGPOBSA-N 0 0 243.288 -0.825 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)[C@H](C)CCOC ZINC000867339266 588154618 /nfs/dbraw/zinc/15/46/18/588154618.db2.gz DZXZZHBOBCQEKC-BDAKNGLRSA-N 0 0 235.305 -0.675 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)[C@@H](C)CCOC ZINC000867339267 588154410 /nfs/dbraw/zinc/15/44/10/588154410.db2.gz DZXZZHBOBCQEKC-DTWKUNHWSA-N 0 0 235.305 -0.675 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)[C@@H](C)CCOC ZINC000867339268 588154571 /nfs/dbraw/zinc/15/45/71/588154571.db2.gz DZXZZHBOBCQEKC-IUCAKERBSA-N 0 0 235.305 -0.675 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)[C@H](C)CCOC ZINC000867339269 588154450 /nfs/dbraw/zinc/15/44/50/588154450.db2.gz DZXZZHBOBCQEKC-RKDXNWHRSA-N 0 0 235.305 -0.675 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)N(C)CC1CC1 ZINC000867339297 588154605 /nfs/dbraw/zinc/15/46/05/588154605.db2.gz FSHDZGJFNRBTHT-SECBINFHSA-N 0 0 232.305 -0.843 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)N(C)CC1CC1 ZINC000867339298 588154302 /nfs/dbraw/zinc/15/43/02/588154302.db2.gz FSHDZGJFNRBTHT-VIFPVBQESA-N 0 0 232.305 -0.843 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)N(C)CCC ZINC000867339326 588154573 /nfs/dbraw/zinc/15/45/73/588154573.db2.gz GOGAGNHAWUIABY-MRVPVSSYSA-N 0 0 220.294 -0.843 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)N(C)CCC ZINC000867339327 588154675 /nfs/dbraw/zinc/15/46/75/588154675.db2.gz GOGAGNHAWUIABY-QMMMGPOBSA-N 0 0 220.294 -0.843 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)CC1(C#N)CC1 ZINC000867339348 588154620 /nfs/dbraw/zinc/15/46/20/588154620.db2.gz GXRFQXZIQQKLOG-MRVPVSSYSA-N 0 0 228.273 -0.796 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)CC1(C#N)CC1 ZINC000867339349 588154389 /nfs/dbraw/zinc/15/43/89/588154389.db2.gz GXRFQXZIQQKLOG-QMMMGPOBSA-N 0 0 228.273 -0.796 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)CC1(C#N)CCC1 ZINC000867339378 588154293 /nfs/dbraw/zinc/15/42/93/588154293.db2.gz HVWUOXLKSDPVRW-SECBINFHSA-N 0 0 242.300 -0.406 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)CC1(C#N)CCC1 ZINC000867339379 588154623 /nfs/dbraw/zinc/15/46/23/588154623.db2.gz HVWUOXLKSDPVRW-VIFPVBQESA-N 0 0 242.300 -0.406 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)C[C@@H]1CCCOC1 ZINC000867339388 588154271 /nfs/dbraw/zinc/15/42/71/588154271.db2.gz IBUAXZPQLMRIJO-NXEZZACHSA-N 0 0 247.316 -0.674 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)C[C@H]1CCCOC1 ZINC000867339389 588154643 /nfs/dbraw/zinc/15/46/43/588154643.db2.gz IBUAXZPQLMRIJO-UWVGGRQHSA-N 0 0 247.316 -0.674 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)C[C@H]1CCCOC1 ZINC000867339390 588154538 /nfs/dbraw/zinc/15/45/38/588154538.db2.gz IBUAXZPQLMRIJO-VHSXEESVSA-N 0 0 247.316 -0.674 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)C[C@@H]1CCCOC1 ZINC000867339391 588154638 /nfs/dbraw/zinc/15/46/38/588154638.db2.gz IBUAXZPQLMRIJO-ZJUUUORDSA-N 0 0 247.316 -0.674 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)N1CC[C@@H](C)C1 ZINC000867339488 588154932 /nfs/dbraw/zinc/15/49/32/588154932.db2.gz KNTKKLPTKCHZHF-BDAKNGLRSA-N 0 0 232.305 -0.843 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)N1CC[C@H](C)C1 ZINC000867339489 588154823 /nfs/dbraw/zinc/15/48/23/588154823.db2.gz KNTKKLPTKCHZHF-DTWKUNHWSA-N 0 0 232.305 -0.843 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)N1CC[C@H](C)C1 ZINC000867339490 588155093 /nfs/dbraw/zinc/15/50/93/588155093.db2.gz KNTKKLPTKCHZHF-IUCAKERBSA-N 0 0 232.305 -0.843 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)N1CC[C@@H](C)C1 ZINC000867339491 588155040 /nfs/dbraw/zinc/15/50/40/588155040.db2.gz KNTKKLPTKCHZHF-RKDXNWHRSA-N 0 0 232.305 -0.843 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)CC(=C)C ZINC000867339504 588154912 /nfs/dbraw/zinc/15/49/12/588154912.db2.gz LBBOQJLGLUNZGA-MRVPVSSYSA-N 0 0 203.263 -0.524 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)CC(=C)C ZINC000867339505 588154970 /nfs/dbraw/zinc/15/49/70/588154970.db2.gz LBBOQJLGLUNZGA-QMMMGPOBSA-N 0 0 203.263 -0.524 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)CC1CCOCC1 ZINC000867339513 588154797 /nfs/dbraw/zinc/15/47/97/588154797.db2.gz LGKFUCCRTDXPLW-JTQLQIEISA-N 0 0 247.316 -0.674 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)CC1CCOCC1 ZINC000867339514 588154920 /nfs/dbraw/zinc/15/49/20/588154920.db2.gz LGKFUCCRTDXPLW-SNVBAGLBSA-N 0 0 247.316 -0.674 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)N1CCC[C@H]1C ZINC000867339538 588154908 /nfs/dbraw/zinc/15/49/08/588154908.db2.gz MEPOKXUYWXVCGK-BDAKNGLRSA-N 0 0 232.305 -0.701 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)N1CCC[C@@H]1C ZINC000867339539 588154928 /nfs/dbraw/zinc/15/49/28/588154928.db2.gz MEPOKXUYWXVCGK-DTWKUNHWSA-N 0 0 232.305 -0.701 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)N1CCC[C@@H]1C ZINC000867339540 588155123 /nfs/dbraw/zinc/15/51/23/588155123.db2.gz MEPOKXUYWXVCGK-IUCAKERBSA-N 0 0 232.305 -0.701 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)N1CCC[C@H]1C ZINC000867339541 588155013 /nfs/dbraw/zinc/15/50/13/588155013.db2.gz MEPOKXUYWXVCGK-RKDXNWHRSA-N 0 0 232.305 -0.701 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000867339571 588154978 /nfs/dbraw/zinc/15/49/78/588154978.db2.gz MYKXBMAYNFVFLP-DJLDLDEBSA-N 0 0 233.289 -0.923 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000867339572 588154889 /nfs/dbraw/zinc/15/48/89/588154889.db2.gz MYKXBMAYNFVFLP-HLTSFMKQSA-N 0 0 233.289 -0.923 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000867339573 588155136 /nfs/dbraw/zinc/15/51/36/588155136.db2.gz MYKXBMAYNFVFLP-IWSPIJDZSA-N 0 0 233.289 -0.923 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000867339574 588154891 /nfs/dbraw/zinc/15/48/91/588154891.db2.gz MYKXBMAYNFVFLP-YIZRAAEISA-N 0 0 233.289 -0.923 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)Cc1cc(C)no1 ZINC000867339614 588154941 /nfs/dbraw/zinc/15/49/41/588154941.db2.gz NUXIXYHPCOLGHY-MRVPVSSYSA-N 0 0 244.272 -0.603 20 30 BBEDRN C#C[C@@H](CO)NS(=O)(=O)Cc1cc(C)no1 ZINC000867339615 588154901 /nfs/dbraw/zinc/15/49/01/588154901.db2.gz NUXIXYHPCOLGHY-QMMMGPOBSA-N 0 0 244.272 -0.603 20 30 BBEDRN C#C[C@H](CO)NS(=O)(=O)CCCCC#N ZINC000867339684 588154858 /nfs/dbraw/zinc/15/48/58/588154858.db2.gz OCVJJAAYVRFKRK-SECBINFHSA-N 0 0 230.289 -0.406 20 30 BBEDRN 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