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187.239 1.034 20 30 ADEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](C#N)CC 400825209 757142590 /nfs/dbraw/zinc/14/25/90/757142590.db2.gz KJJPOJAQVGUYHK-SFYZADRCSA-N -1 0 182.223 1.158 20 30 ADEDRM C#CCCCCC(=O)NOCCC 686771356 757313056 /nfs/dbraw/zinc/31/30/56/757313056.db2.gz KRHDNPGJYRRGGT-UHFFFAOYSA-N -1 0 183.251 1.638 20 30 ADEDRM CON=Cc1cc([N+](=O)[O-])ccc1[O-] 687752004 757322351 /nfs/dbraw/zinc/32/23/51/757322351.db2.gz ZQCILDGRDCWCSY-UHFFFAOYSA-N -1 0 196.162 1.281 20 30 ADEDRM CC(C)(C#N)C(=O)[N-]OCC1CCC1 688533278 757335801 /nfs/dbraw/zinc/33/58/01/757335801.db2.gz ZOLXHOISBUXSJM-UHFFFAOYSA-N -1 0 196.250 1.384 20 30 ADEDRM CC[C@@H](C#N)C(=O)[N-]OCC1CCC1 688531926 757337731 /nfs/dbraw/zinc/33/77/31/757337731.db2.gz PITXRGIVKMXCMC-VIFPVBQESA-N -1 0 196.250 1.384 20 30 ADEDRM N#CC1(C(=O)[N-]OCC2CC2)CCC1 688524618 757338397 /nfs/dbraw/zinc/33/83/97/757338397.db2.gz QCRKXEWRWAOZTB-UHFFFAOYSA-N -1 0 194.234 1.138 20 30 ADEDRM CC[C@H](C#N)C(=O)[N-]OCC1CCC1 688531925 757339067 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CC[C@@H](SCCC#N)C(=O)[O-] 82693011 957799560 /nfs/dbraw/zinc/79/95/60/957799560.db2.gz FVXFGCPAEWZRKJ-ZCFIWIBFSA-N -1 0 173.237 1.496 20 30 ADEDRM CON=Cc1cc(C(=O)[O-])cs1 307974195 572895569 /nfs/dbraw/zinc/89/55/69/572895569.db2.gz JMOUSWDLFPWIBM-UHFFFAOYSA-N -1 0 185.204 1.427 20 30 ADEDRM C=CCO[N-]C(=O)[C@@H](C)n1cccc1 1117852140 757642780 /nfs/dbraw/zinc/64/27/80/757642780.db2.gz DZCSFQPONIEGGL-SECBINFHSA-N -1 0 194.234 1.283 20 30 ADEDRM C=CCO[N-]C(=O)[C@H](C)n1cccc1 1117852141 757647638 /nfs/dbraw/zinc/64/76/38/757647638.db2.gz DZCSFQPONIEGGL-VIFPVBQESA-N -1 0 194.234 1.283 20 30 ADEDRM C#C[C@@H](CC)OC(=O)C(C)(C)C(=O)[O-] 1588387687 957989909 /nfs/dbraw/zinc/98/99/09/957989909.db2.gz MCLGVWONVYOHPV-ZETCQYMHSA-N -1 0 198.218 1.052 20 30 ADEDRM C#C[C@H](CC)OC(=O)C(C)(C)C(=O)[O-] 1588387684 957990651 /nfs/dbraw/zinc/99/06/51/957990651.db2.gz MCLGVWONVYOHPV-SSDOTTSWSA-N -1 0 198.218 1.052 20 30 ADEDRM C#CC[C@@H](C)OC(=O)CCCC(=O)[O-] 1588389168 958005689 /nfs/dbraw/zinc/00/56/89/958005689.db2.gz OTLKGVNDTXHMGJ-MRVPVSSYSA-N -1 0 198.218 1.196 20 30 ADEDRM C#CC[C@H](C)OC(=O)CCCC(=O)[O-] 1588389169 958006388 /nfs/dbraw/zinc/00/63/88/958006388.db2.gz OTLKGVNDTXHMGJ-QMMMGPOBSA-N -1 0 198.218 1.196 20 30 ADEDRM C#CCC[C@@H](C)OC(=O)[C@@H](C)C(=O)[O-] 1588391238 958019890 /nfs/dbraw/zinc/01/98/90/958019890.db2.gz DCKNMXKEVLXLBX-SFYZADRCSA-N -1 0 198.218 1.052 20 30 ADEDRM C#CCC[C@H](C)OC(=O)[C@H](C)C(=O)[O-] 1588391237 958020135 /nfs/dbraw/zinc/02/01/35/958020135.db2.gz DCKNMXKEVLXLBX-JGVFFNPUSA-N -1 0 198.218 1.052 20 30 ADEDRM C#CCC[C@H](C)OC(=O)[C@@H](C)C(=O)[O-] 1588391240 958020528 /nfs/dbraw/zinc/02/05/28/958020528.db2.gz DCKNMXKEVLXLBX-YUMQZZPRSA-N -1 0 198.218 1.052 20 30 ADEDRM C#CCC[C@@H](C)OC(=O)[C@H](C)C(=O)[O-] 1588391236 958020672 /nfs/dbraw/zinc/02/06/72/958020672.db2.gz DCKNMXKEVLXLBX-HTQZYQBOSA-N -1 0 198.218 1.052 20 30 ADEDRM C=C(C)CO[N-]C(=O)[C@@H](F)CC 1120751211 757816303 /nfs/dbraw/zinc/81/63/03/757816303.db2.gz 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1262631039 1170134790 /nfs/dbraw/zinc/13/47/90/1170134790.db2.gz RQAKTRJWNZNNIC-BQBZGAKWSA-N -1 0 175.203 1.357 20 30 ADEDRM C=C[C@H](C)O[N-]C(=O)[C@H](F)CC 1262631040 1170134970 /nfs/dbraw/zinc/13/49/70/1170134970.db2.gz RQAKTRJWNZNNIC-NKWVEPMBSA-N -1 0 175.203 1.357 20 30 ADEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](F)CC 1262631041 1170135057 /nfs/dbraw/zinc/13/50/57/1170135057.db2.gz RQAKTRJWNZNNIC-RNFRBKRXSA-N -1 0 175.203 1.357 20 30 ADEDRM C=C(C)CCC(=O)NCCCC(=O)[O-] 1263626459 1170145237 /nfs/dbraw/zinc/14/52/37/1170145237.db2.gz YKYUTQZTOYSKEM-UHFFFAOYSA-N -1 0 199.250 1.324 20 30 ADEDRM C#CCC(C)(C)C(=O)NOC(C)(C)C 1324016530 1170222188 /nfs/dbraw/zinc/22/21/88/1170222188.db2.gz QRYKDAVWVZHMAO-UHFFFAOYSA-N -1 0 197.278 1.882 20 30 ADEDRM C=C[C@@H]1OCC[C@H]1C(=O)[N-]OC(C)C 1324558057 1170226039 /nfs/dbraw/zinc/22/60/39/1170226039.db2.gz GQVXUJCQKWVIAX-BDAKNGLRSA-N -1 0 199.250 1.034 20 30 ADEDRM C=CCC(F)(F)C(=O)[N-]OC(C)C 1330659236 1170281784 /nfs/dbraw/zinc/28/17/84/1170281784.db2.gz HFKXULBAYAPZJJ-UHFFFAOYSA-N -1 0 193.193 1.654 20 30 ADEDRM CCCCCCCOCc1nnn[n-]1 1332447477 1170308083 /nfs/dbraw/zinc/30/80/83/1170308083.db2.gz FVKBTYJQRAUAGO-UHFFFAOYSA-N -1 0 198.270 1.687 20 30 ADEDRM C[C@H]1CCCC(=NNCC(=O)[O-])CC1 1333643287 1170327807 /nfs/dbraw/zinc/32/78/07/1170327807.db2.gz NTIWLGYRSVNNOX-QMMMGPOBSA-N -1 0 198.266 1.617 20 30 ADEDRM C[C@@H]1CCCC(=NNCC(=O)[O-])CC1 1333643286 1170329907 /nfs/dbraw/zinc/32/99/07/1170329907.db2.gz NTIWLGYRSVNNOX-MRVPVSSYSA-N -1 0 198.266 1.617 20 30 ADEDRM C=CCO[N-]C(=O)[C@H]1CCC[C@@H]1OC 1335948267 1170363747 /nfs/dbraw/zinc/36/37/47/1170363747.db2.gz KSHBUZOKXKMBIN-IUCAKERBSA-N -1 0 199.250 1.035 20 30 ADEDRM C=CCO[N-]C(=O)[C@H]1CCC[C@H]1OC 1335948266 1170364087 /nfs/dbraw/zinc/36/40/87/1170364087.db2.gz KSHBUZOKXKMBIN-DTWKUNHWSA-N -1 0 199.250 1.035 20 30 ADEDRM C=CCO[N-]C(=O)[C@@H]1CCC[C@H]1OC 1335948270 1170364283 /nfs/dbraw/zinc/36/42/83/1170364283.db2.gz KSHBUZOKXKMBIN-RKDXNWHRSA-N -1 0 199.250 1.035 20 30 ADEDRM C=CCO[N-]C(=O)[C@@H]1CCC[C@@H]1OC 1335948263 1170364437 /nfs/dbraw/zinc/36/44/37/1170364437.db2.gz KSHBUZOKXKMBIN-BDAKNGLRSA-N -1 0 199.250 1.035 20 30 ADEDRM C#CCCCCCSCC(=O)[O-] 686677486 976114582 /nfs/dbraw/zinc/11/45/82/976114582.db2.gz IFSYGUBNSKYBMO-UHFFFAOYSA-N -1 0 186.276 1.998 20 30 ADEDRM C=C(C)CCC(=O)N(CC)CC(=O)[O-] 1344459968 1170464709 /nfs/dbraw/zinc/46/47/09/1170464709.db2.gz NEXIHXVRJRXYFJ-UHFFFAOYSA-N -1 0 199.250 1.276 20 30 ADEDRM C=C(C)CCC(=O)NC(C)(C)C(=O)[O-] 1345720204 1170475308 /nfs/dbraw/zinc/47/53/08/1170475308.db2.gz SQZSJRZCXQXCMD-UHFFFAOYSA-N -1 0 199.250 1.322 20 30 ADEDRM C=C1CN(C(=O)CCCCC(=O)[O-])C1 689010196 976201158 /nfs/dbraw/zinc/20/11/58/976201158.db2.gz ZWSHEODGTBFBKK-UHFFFAOYSA-N -1 0 197.234 1.030 20 30 ADEDRM C=C(C)CCC(=O)NOC 1346526643 1170482582 /nfs/dbraw/zinc/48/25/82/1170482582.db2.gz PLBNUHFPGUNYAF-UHFFFAOYSA-N -1 0 143.186 1.020 20 30 ADEDRM C=CCO[N-]C(=O)[C@@H]1[C@@H](C)C1(F)F 1347673431 1170495618 /nfs/dbraw/zinc/49/56/18/1170495618.db2.gz APWPXQOAFXROIM-RITPCOANSA-N -1 0 191.177 1.121 20 30 ADEDRM C=C(C)CCC(=O)N[C@H](C)CC(=O)[O-] 1517332605 1170616425 /nfs/dbraw/zinc/61/64/25/1170616425.db2.gz LWHPJRKMGCNXDB-MRVPVSSYSA-N -1 0 199.250 1.322 20 30 ADEDRM C[C@@H](CC(=O)[O-])SCC1(C#N)CC1 691567371 976367611 /nfs/dbraw/zinc/36/76/11/976367611.db2.gz UUFPFCBUIBAVIJ-ZETCQYMHSA-N -1 0 199.275 1.887 20 30 ADEDRM C[C@H](CC(=O)[O-])SCC1(C#N)CC1 691567369 976368273 /nfs/dbraw/zinc/36/82/73/976368273.db2.gz UUFPFCBUIBAVIJ-SSDOTTSWSA-N -1 0 199.275 1.887 20 30 ADEDRM O=C([O-])CCNN=C1CCC[C@@H]2C[C@H]12 1595060847 1170770266 /nfs/dbraw/zinc/77/02/66/1170770266.db2.gz CZAOHLIEJREVRM-SFYZADRCSA-N -1 0 196.250 1.227 20 30 ADEDRM O=C([O-])CCNN=C1CCC[C@H]2C[C@@H]12 1595060846 1170771938 /nfs/dbraw/zinc/77/19/38/1170771938.db2.gz CZAOHLIEJREVRM-JGVFFNPUSA-N -1 0 196.250 1.227 20 30 ADEDRM N#CCCNc1ccc(C(=O)[O-])cn1 1601068060 1170772996 /nfs/dbraw/zinc/77/29/96/1170772996.db2.gz 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1170776269 /nfs/dbraw/zinc/77/62/69/1170776269.db2.gz JIINOMIDKUFBCK-UHFFFAOYSA-N -1 0 196.250 1.277 20 30 ADEDRM C=C[C@H](OC(=O)[C@@H]1C[C@H]1CC)C(=O)[O-] 1602827892 1170781330 /nfs/dbraw/zinc/78/13/30/1170781330.db2.gz TVVXTOCKWFGARG-PRJMDXOYSA-N -1 0 198.218 1.215 20 30 ADEDRM C=C(CC)C(=O)N(C)CCCC(=O)[O-] 1602772403 1170782103 /nfs/dbraw/zinc/78/21/03/1170782103.db2.gz WXYIDZIQFYTTJK-UHFFFAOYSA-N -1 0 199.250 1.276 20 30 ADEDRM C=C(CCC(=O)[O-])C(=O)N(CC)CC 1602774384 1170782693 /nfs/dbraw/zinc/78/26/93/1170782693.db2.gz ICWQKDOICBLZQV-UHFFFAOYSA-N -1 0 199.250 1.276 20 30 ADEDRM O=C([O-])[C@H]1CCCC(=NN2CCC2)C1 1601802565 1170778565 /nfs/dbraw/zinc/77/85/65/1170778565.db2.gz YUWQPRNIZWVYJJ-QMMMGPOBSA-N -1 0 196.250 1.323 20 30 ADEDRM O=C([O-])CCCON=C1CCC1 1601995467 1170779158 /nfs/dbraw/zinc/77/91/58/1170779158.db2.gz SAKCZGIOLGZJEL-UHFFFAOYSA-N -1 0 171.196 1.408 20 30 ADEDRM O=C([O-])[C@@H]1CCCC(=NN2CCC2)C1 1601802564 1170779376 /nfs/dbraw/zinc/77/93/76/1170779376.db2.gz 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1.123 20 30 ADEDRM C=C[C@H](C(=O)[O-])n1cc(/C=C/C)nn1 1602805655 1170781265 /nfs/dbraw/zinc/78/12/65/1170781265.db2.gz FDIMKYUCCUQSPC-RYEJSQLPSA-N -1 0 193.206 1.123 20 30 ADEDRM C=C(CC)CN(CC#N)CCC(=O)[O-] 1602771837 1170781416 /nfs/dbraw/zinc/78/14/16/1170781416.db2.gz BLEGMPSRSGPEKT-UHFFFAOYSA-N -1 0 196.250 1.253 20 30 ADEDRM C=C[C@@H](C(=O)[O-])n1cc(/C=C\C)nn1 1602805653 1170781573 /nfs/dbraw/zinc/78/15/73/1170781573.db2.gz FDIMKYUCCUQSPC-NHLYECAPSA-N -1 0 193.206 1.123 20 30 ADEDRM C=C[C@H](C(=O)[O-])n1cc(/C=C\C)nn1 1602805654 1170781600 /nfs/dbraw/zinc/78/16/00/1170781600.db2.gz FDIMKYUCCUQSPC-QIUOEGRZSA-N -1 0 193.206 1.123 20 30 ADEDRM C=C[C@H](OC(=O)C1CCCC1)C(=O)[O-] 1602821069 1170781831 /nfs/dbraw/zinc/78/18/31/1170781831.db2.gz UBHOOOWLOJLEAV-QMMMGPOBSA-N -1 0 198.218 1.359 20 30 ADEDRM C=C(CC)C(=O)N[C@H](C(=O)[O-])C(C)C 1602772362 1170781973 /nfs/dbraw/zinc/78/19/73/1170781973.db2.gz VJLIFSANQVCSQC-QMMMGPOBSA-N -1 0 199.250 1.178 20 30 ADEDRM C=C(C)C(C)(C)C(=O)OCC(=O)[O-] 1602744931 1170782032 /nfs/dbraw/zinc/78/20/32/1170782032.db2.gz RQLAWKQTNQDKDL-UHFFFAOYSA-N -1 0 186.207 1.217 20 30 ADEDRM C=C[C@@H](OC(=O)/C(=C/C)CC)C(=O)[O-] 1602821225 1170782224 /nfs/dbraw/zinc/78/22/24/1170782224.db2.gz XQYRNAWWIRUKLX-RXLGXGPVSA-N -1 0 198.218 1.525 20 30 ADEDRM C=C[C@H](SC1CCC1)C(=O)[O-] 1602827914 1170782254 /nfs/dbraw/zinc/78/22/54/1170782254.db2.gz UFYNZXXLYIDMFB-ZETCQYMHSA-N -1 0 172.249 1.911 20 30 ADEDRM C=C(CC)C(=O)N[C@H](C)/C=C/C(=O)[O-] 1602772207 1170782291 /nfs/dbraw/zinc/78/22/91/1170782291.db2.gz ODBRBDXPKGPLLD-HQZHTGGTSA-N -1 0 197.234 1.098 20 30 ADEDRM C=C[C@@H](OC(=O)[C@@H]1C[C@H]1CC)C(=O)[O-] 1602827891 1170782429 /nfs/dbraw/zinc/78/24/29/1170782429.db2.gz TVVXTOCKWFGARG-BWZBUEFSSA-N -1 0 198.218 1.215 20 30 ADEDRM C=C[C@H](C)ON=C1CC[C@@H](C(=O)[O-])C1 1602812639 1170782457 /nfs/dbraw/zinc/78/24/57/1170782457.db2.gz JTKKEWAKYZOKTR-JGVFFNPUSA-N -1 0 197.234 1.818 20 30 ADEDRM C=C[C@@H](C)ON=C1CC[C@@H](C(=O)[O-])C1 1602812638 1170782530 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