smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[N-]C(=O)C(F)(F)F ZINC000003161319 587836143 /nfs/dbraw/zinc/83/61/43/587836143.db2.gz MSCVRLBEXFAOMI-UHFFFAOYSA-N -1 3 225.254 3.025 20 30 BGEDHM O=C(/C=C/c1cccc(F)c1)c1cccc([O-])c1 ZINC000005156252 398280320 /nfs/dbraw/zinc/28/03/20/398280320.db2.gz GAUDQBRLDJUCPL-BQYQJAHWSA-N -1 3 242.249 3.427 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccccn1 ZINC000005227334 635247632 /nfs/dbraw/zinc/24/76/32/635247632.db2.gz ARPMHOPNXIPBHU-OVCLIPMQSA-N -1 3 246.697 3.060 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cccnc1 ZINC000005227372 183273515 /nfs/dbraw/zinc/27/35/15/183273515.db2.gz NXMALVYWPUIDSM-CXUHLZMHSA-N -1 3 246.697 3.060 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccco1 ZINC000005273458 183273949 /nfs/dbraw/zinc/27/39/49/183273949.db2.gz RDMMNHCFGFQXFN-VGOFMYFVSA-N -1 3 235.670 3.258 20 30 BGEDHM O=C1c2cccc([O-])c2C/C1=C/c1cccs1 ZINC000011335826 588881144 /nfs/dbraw/zinc/88/11/44/588881144.db2.gz OAIRPYGGVFBMRD-CLFYSBASSA-N -1 3 242.299 3.276 20 30 BGEDHM O=C1c2cccc([O-])c2C/C1=C/c1ccsc1 ZINC000011335980 588880949 /nfs/dbraw/zinc/88/09/49/588880949.db2.gz VTMSRQHHDWCINP-POHAHGRESA-N -1 3 242.299 3.276 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccncc1 ZINC000022726793 631535836 /nfs/dbraw/zinc/53/58/36/631535836.db2.gz BSLKYSSOFCQGKG-CXUHLZMHSA-N -1 3 246.697 3.060 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/C1CCCC1 ZINC000028709166 183273444 /nfs/dbraw/zinc/27/34/44/183273444.db2.gz ZHLOTQKPBNUFDA-RIYZIHGNSA-N -1 3 223.703 3.407 20 30 BGEDHM C=CCCCCCCC[N-]C(=O)C(F)(F)F ZINC000038977056 631511645 /nfs/dbraw/zinc/51/16/45/631511645.db2.gz LKNQDTOUAMBPBK-UHFFFAOYSA-N -1 3 237.265 3.192 20 30 BGEDHM CC(C)(C)C(=O)N([O-])Cc1ccccc1Cl ZINC000039418448 643207432 /nfs/dbraw/zinc/20/74/32/643207432.db2.gz LOSZQZQLZCJBLZ-UHFFFAOYSA-N -1 3 241.718 3.104 20 30 BGEDHM Cc1ccc(C#N)c(Sc2ccc([O-])cc2)n1 ZINC000043396150 178366759 /nfs/dbraw/zinc/36/67/59/178366759.db2.gz BHJLGXWJDHCGDS-UHFFFAOYSA-N -1 3 242.303 3.119 20 30 BGEDHM N#Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC000047206879 181080699 /nfs/dbraw/zinc/08/06/99/181080699.db2.gz ROEZUQHFBLTPPF-UHFFFAOYSA-N -1 3 213.211 3.070 20 30 BGEDHM CCCCCCCCCC(=O)[N-]OCC ZINC000059471098 517554136 /nfs/dbraw/zinc/55/41/36/517554136.db2.gz OBFVXIWNBVXOCL-UHFFFAOYSA-N -1 3 215.337 3.195 20 30 BGEDHM CCO[C@@H](CC/N=C/c1ccccc1[O-])C(C)C ZINC000074797259 592308984 /nfs/dbraw/zinc/30/89/84/592308984.db2.gz ARYMSWYHQOCBMH-KFXIKWRMSA-N -1 3 249.354 3.262 20 30 BGEDHM CCO[C@H](CC/N=C/c1ccccc1[O-])C(C)C ZINC000074797261 592309185 /nfs/dbraw/zinc/30/91/85/592309185.db2.gz ARYMSWYHQOCBMH-YLQKULKDSA-N -1 3 249.354 3.262 20 30 BGEDHM CO[C@]1(C)C[C@@H](/N=C/c2ccccc2[O-])C1(C)C ZINC000075078372 398215282 /nfs/dbraw/zinc/21/52/82/398215282.db2.gz LWBSTJFEKNDQTD-VFBOHGMLSA-N -1 3 247.338 3.015 20 30 BGEDHM CO[C@]1(C)C[C@H](/N=C/c2ccccc2[O-])C1(C)C ZINC000075078373 398215768 /nfs/dbraw/zinc/21/57/68/398215768.db2.gz LWBSTJFEKNDQTD-SRECSKBZSA-N -1 3 247.338 3.015 20 30 BGEDHM CO[C@@]1(C)C[C@@H](/N=C/c2ccccc2[O-])C1(C)C ZINC000075078374 398215222 /nfs/dbraw/zinc/21/52/22/398215222.db2.gz LWBSTJFEKNDQTD-LDTNDYRISA-N -1 3 247.338 3.015 20 30 BGEDHM CO[C@@]1(C)C[C@H](/N=C/c2ccccc2[O-])C1(C)C ZINC000075078375 398215829 /nfs/dbraw/zinc/21/58/29/398215829.db2.gz LWBSTJFEKNDQTD-VSSJFHQUSA-N -1 3 247.338 3.015 20 30 BGEDHM C=CCCCO[N-]C(=O)CCCc1ccccc1 ZINC000077239456 353346942 /nfs/dbraw/zinc/34/69/42/353346942.db2.gz YTBUAPOWGCTGEV-UHFFFAOYSA-N -1 3 247.338 3.023 20 30 BGEDHM N#Cc1cccc(NCc2cc(F)ccc2[O-])c1 ZINC000083370228 181141715 /nfs/dbraw/zinc/14/17/15/181141715.db2.gz OAWGBHHWLZBGFZ-UHFFFAOYSA-N -1 3 242.253 3.015 20 30 BGEDHM C=C(C)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000097109467 644871870 /nfs/dbraw/zinc/87/18/70/644871870.db2.gz JETWFVHERHULRV-UHFFFAOYSA-N -1 3 234.082 3.054 20 30 BGEDHM [O-]c1ccccc1/C=N\Cc1ccc(F)cc1F ZINC000103010653 585050243 /nfs/dbraw/zinc/05/02/43/585050243.db2.gz WCSFQGOWUAEVJZ-MFOYZWKCSA-N -1 3 247.244 3.290 20 30 BGEDHM C=CCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000103650161 586261764 /nfs/dbraw/zinc/26/17/64/586261764.db2.gz YIBMLMALRNKIRN-UHFFFAOYSA-N -1 3 234.082 3.054 20 30 BGEDHM [O-]c1ccccc1/C=N/Cc1cc(F)ccc1F ZINC000105356171 588143129 /nfs/dbraw/zinc/14/31/29/588143129.db2.gz PFXFIXGKOPKSIW-CAOOACKPSA-N -1 3 247.244 3.290 20 30 BGEDHM C=CCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979121 384129557 /nfs/dbraw/zinc/12/95/57/384129557.db2.gz LAGJNXCHUBGQRD-UHFFFAOYSA-N -1 3 239.702 3.259 20 30 BGEDHM CS[C@@H]1CCC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000117107613 344739797 /nfs/dbraw/zinc/73/97/97/344739797.db2.gz IGTHZXPQPZQUND-KWXXWNBCSA-N -1 3 249.379 3.485 20 30 BGEDHM CS[C@H]1CCC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000117107615 344739542 /nfs/dbraw/zinc/73/95/42/344739542.db2.gz IGTHZXPQPZQUND-JTHSXVCWSA-N -1 3 249.379 3.485 20 30 BGEDHM CS[C@@H]1CCC[C@@H](/N=C/c2ccccc2[O-])C1 ZINC000117107618 344739631 /nfs/dbraw/zinc/73/96/31/344739631.db2.gz IGTHZXPQPZQUND-WYMRFSOBSA-N -1 3 249.379 3.485 20 30 BGEDHM CS[C@H]1CCC[C@@H](/N=C/c2ccccc2[O-])C1 ZINC000117107620 344739825 /nfs/dbraw/zinc/73/98/25/344739825.db2.gz IGTHZXPQPZQUND-ULMKNYBMSA-N -1 3 249.379 3.485 20 30 BGEDHM N#Cc1ccccc1/C=C/C(=O)c1cccc([O-])c1 ZINC000120813771 589469234 /nfs/dbraw/zinc/46/92/34/589469234.db2.gz KQLGWUAAQORCNT-CMDGGOBGSA-N -1 3 249.269 3.160 20 30 BGEDHM C[C@]1(C/N=C/c2ccccc2[O-])CCCS1 ZINC000121018828 344908050 /nfs/dbraw/zinc/90/80/50/344908050.db2.gz YHXPQBLHTAAXAM-OZYJXZHSSA-N -1 3 235.352 3.097 20 30 BGEDHM C[C@@]1(C/N=C/c2ccccc2[O-])CCCS1 ZINC000121018975 344908210 /nfs/dbraw/zinc/90/82/10/344908210.db2.gz YHXPQBLHTAAXAM-FYQHACEVSA-N -1 3 235.352 3.097 20 30 BGEDHM C#CCCCC/N=C/c1cc(Cl)ccc1[O-] ZINC000121031248 584118101 /nfs/dbraw/zinc/11/81/01/584118101.db2.gz YBTPLQPWHAFBGN-XNTDXEJSSA-N -1 3 235.714 3.268 20 30 BGEDHM CCCCCCCC(=O)[N-]OCC(C)C ZINC000124034951 583331154 /nfs/dbraw/zinc/33/11/54/583331154.db2.gz WNNPNZZGOGWDOI-UHFFFAOYSA-N -1 3 215.337 3.051 20 30 BGEDHM CC[C@H](/N=C/c1ccccc1[O-])c1ccncc1 ZINC000125134646 590125726 /nfs/dbraw/zinc/12/57/26/590125726.db2.gz AYFGYYIFPUZWCP-MPMPPSQCSA-N -1 3 240.306 3.357 20 30 BGEDHM CC[C@@H](/N=C/c1ccccc1[O-])c1ccncc1 ZINC000125134857 590125801 /nfs/dbraw/zinc/12/58/01/590125801.db2.gz AYFGYYIFPUZWCP-SWEABUAFSA-N -1 3 240.306 3.357 20 30 BGEDHM C=C(C)CN(CC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000125659445 386874877 /nfs/dbraw/zinc/87/48/77/386874877.db2.gz PXYSBEGWIWPXJJ-UHFFFAOYSA-N -1 3 247.338 3.047 20 30 BGEDHM C=CCCCN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000129248815 353313857 /nfs/dbraw/zinc/31/38/57/353313857.db2.gz BZHAORNBZPCWCD-UHFFFAOYSA-N -1 3 247.338 3.047 20 30 BGEDHM [O-]c1ccccc1/C=N/CC1(C2CC2)CC1 ZINC000129617249 591339839 /nfs/dbraw/zinc/33/98/39/591339839.db2.gz DFALNCSVBHDDCD-OQLLNIDSSA-N -1 3 215.296 3.001 20 30 BGEDHM Cc1ccc(C#N)c(Sc2cccc([O-])c2)n1 ZINC000131061738 371010787 /nfs/dbraw/zinc/01/07/87/371010787.db2.gz QBGIVELRDJUFBZ-UHFFFAOYSA-N -1 3 242.303 3.119 20 30 BGEDHM [O-]c1ccccc1/C=N/CCC1CCC1 ZINC000132445805 591710634 /nfs/dbraw/zinc/71/06/34/591710634.db2.gz MVGJWZTUKKFAQK-GXDHUFHOSA-N -1 3 203.285 3.001 20 30 BGEDHM C=C(Cl)CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134932420 364420948 /nfs/dbraw/zinc/42/09/48/364420948.db2.gz QSKXIBMWJJEJLP-QMMMGPOBSA-N -1 3 246.137 3.449 20 30 BGEDHM C=C(Cl)CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000134932440 353513069 /nfs/dbraw/zinc/51/30/69/353513069.db2.gz QSKXIBMWJJEJLP-MRVPVSSYSA-N -1 3 246.137 3.449 20 30 BGEDHM C=C(Cl)CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000134932798 591962379 /nfs/dbraw/zinc/96/23/79/591962379.db2.gz MMQYATIGVFFZBG-ZETCQYMHSA-N -1 3 247.672 3.074 20 30 BGEDHM C=C(Cl)CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000134932815 591961921 /nfs/dbraw/zinc/96/19/21/591961921.db2.gz MMQYATIGVFFZBG-SSDOTTSWSA-N -1 3 247.672 3.074 20 30 BGEDHM C=C[C@](C)(CC)C(=O)Nc1ccc([O-])cc1F ZINC000135174284 325399043 /nfs/dbraw/zinc/39/90/43/325399043.db2.gz BLGXRNXBYYYBQN-CYBMUJFWSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc([O-])cc1F ZINC000135174303 323178728 /nfs/dbraw/zinc/17/87/28/323178728.db2.gz BLGXRNXBYYYBQN-ZDUSSCGKSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C[C@](C)(CC)C(=O)Nc1cccc([O-])c1F ZINC000135222200 325400902 /nfs/dbraw/zinc/40/09/02/325400902.db2.gz AWDTWLWOOAKWCF-CYBMUJFWSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C[C@@](C)(CC)C(=O)Nc1cccc([O-])c1F ZINC000135222214 325401043 /nfs/dbraw/zinc/40/10/43/325401043.db2.gz AWDTWLWOOAKWCF-ZDUSSCGKSA-N -1 3 237.274 3.072 20 30 BGEDHM CCCCCCCCC(=O)[N-]OCC(C)C ZINC000135342219 592008244 /nfs/dbraw/zinc/00/82/44/592008244.db2.gz NIGYEWUKXNWRPH-UHFFFAOYSA-N -1 3 229.364 3.441 20 30 BGEDHM CCCCCCCC(=O)[N-]OC1CCCC1 ZINC000135353211 592008337 /nfs/dbraw/zinc/00/83/37/592008337.db2.gz VULMWEFSPNEYJA-UHFFFAOYSA-N -1 3 227.348 3.337 20 30 BGEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000135460589 325413499 /nfs/dbraw/zinc/41/34/99/325413499.db2.gz SZBXXZPPUGVQGS-CQSZACIVSA-N -1 3 233.311 3.241 20 30 BGEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000135460603 325413669 /nfs/dbraw/zinc/41/36/69/325413669.db2.gz SZBXXZPPUGVQGS-AWEZNQCLSA-N -1 3 233.311 3.241 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccccn1 ZINC000137589238 711788185 /nfs/dbraw/zinc/78/81/85/711788185.db2.gz ARPMHOPNXIPBHU-NVNXTCNLSA-N -1 3 246.697 3.060 20 30 BGEDHM CCCCCCCCCCC(=O)N[O-] ZINC000138938532 345790004 /nfs/dbraw/zinc/79/00/04/345790004.db2.gz NRFHAFBKEFEPQH-UHFFFAOYSA-N -1 3 201.310 3.023 20 30 BGEDHM CCCCCCC[S@@](=O)c1ccc([O-])cc1 ZINC000153681873 641850292 /nfs/dbraw/zinc/85/02/92/641850292.db2.gz GFFZDKMXLXALAM-INIZCTEOSA-N -1 3 240.368 3.470 20 30 BGEDHM CCCCCCC[S@](=O)c1ccc([O-])cc1 ZINC000153681949 641849944 /nfs/dbraw/zinc/84/99/44/641849944.db2.gz GFFZDKMXLXALAM-MRXNPFEDSA-N -1 3 240.368 3.470 20 30 BGEDHM COCCC1(C/N=C/c2ccccc2[O-])CCC1 ZINC000155035786 174153823 /nfs/dbraw/zinc/15/38/23/174153823.db2.gz DGOXFOAGKCQZDF-LFIBNONCSA-N -1 3 247.338 3.018 20 30 BGEDHM C=CCC(CC=C)C(=O)Nc1ccc(C)cc1[O-] ZINC000156534242 188330042 /nfs/dbraw/zinc/33/00/42/188330042.db2.gz YOQSYHHSVWSEOF-UHFFFAOYSA-N -1 3 245.322 3.408 20 30 BGEDHM C=CCCCCCN(C)C(=O)c1ccccc1[O-] ZINC000156839528 188331291 /nfs/dbraw/zinc/33/12/91/188331291.db2.gz RHQDBDUEMKOMQV-UHFFFAOYSA-N -1 3 247.338 3.211 20 30 BGEDHM C=CCC(CC=C)C(=O)Nc1ccccc1[O-] ZINC000160521553 323069923 /nfs/dbraw/zinc/06/99/23/323069923.db2.gz XZHIERAINHLWMU-UHFFFAOYSA-N -1 3 231.295 3.099 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cccnc1 ZINC000169488923 640855262 /nfs/dbraw/zinc/85/52/62/640855262.db2.gz NXMALVYWPUIDSM-SXGWCWSVSA-N -1 3 246.697 3.060 20 30 BGEDHM C=CCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000175398707 387906343 /nfs/dbraw/zinc/90/63/43/387906343.db2.gz DHUXKMLIVXGFOV-UHFFFAOYSA-N -1 3 239.702 3.340 20 30 BGEDHM C=CCC(CC=C)C(=O)[N-]OCc1ccccc1 ZINC000176899982 398046837 /nfs/dbraw/zinc/04/68/37/398046837.db2.gz UGTQBGMFPPIYED-UHFFFAOYSA-N -1 3 245.322 3.003 20 30 BGEDHM C=CCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000179192114 206008971 /nfs/dbraw/zinc/00/89/71/206008971.db2.gz OKUUGXNKQTYPJY-UHFFFAOYSA-N -1 3 239.702 3.340 20 30 BGEDHM CC(C)CCN(CCC#N)Cc1ccccc1[O-] ZINC000179570491 346988675 /nfs/dbraw/zinc/98/86/75/346988675.db2.gz KVAJZMYEYXDZMW-UHFFFAOYSA-N -1 3 246.354 3.154 20 30 BGEDHM CC(C)(C)CN(CCC#N)Cc1ccccc1[O-] ZINC000179570524 346989048 /nfs/dbraw/zinc/98/90/48/346989048.db2.gz UCWBZNOPGALNNJ-UHFFFAOYSA-N -1 3 246.354 3.154 20 30 BGEDHM C=CCC(CC=C)C(=O)Nc1ccc([O-])cc1F ZINC000180854796 134331782 /nfs/dbraw/zinc/33/17/82/134331782.db2.gz PULVAHWZHTYONR-UHFFFAOYSA-N -1 3 249.285 3.238 20 30 BGEDHM CC1(C)C[C@H](/N=C/c2ccccc2[O-])C(C)(C)O1 ZINC000182048077 535367226 /nfs/dbraw/zinc/36/72/26/535367226.db2.gz PKHLOHSYKDKEKX-RKPNYOAGSA-N -1 3 247.338 3.157 20 30 BGEDHM CC1(C)C[C@@H](/N=C/c2ccccc2[O-])C(C)(C)O1 ZINC000182048094 136218687 /nfs/dbraw/zinc/21/86/87/136218687.db2.gz PKHLOHSYKDKEKX-BVTUPMQUSA-N -1 3 247.338 3.157 20 30 BGEDHM N#Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184131998 134358982 /nfs/dbraw/zinc/35/89/82/134358982.db2.gz LBMCWZOITNRHRX-UHFFFAOYSA-N -1 3 242.253 3.015 20 30 BGEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000184213527 135617310 /nfs/dbraw/zinc/61/73/10/135617310.db2.gz SSLYLHQWKRIPLH-NSHDSACASA-N -1 3 233.311 3.241 20 30 BGEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000184213541 134926121 /nfs/dbraw/zinc/92/61/21/134926121.db2.gz SSLYLHQWKRIPLH-LLVKDONJSA-N -1 3 233.311 3.241 20 30 BGEDHM [O-]c1ccccc1/C=N/CCC[C@@H]1CCCCO1 ZINC000184307160 347156492 /nfs/dbraw/zinc/15/64/92/347156492.db2.gz SEADIXGALFTPOA-AOHITCTBSA-N -1 3 247.338 3.160 20 30 BGEDHM [O-]c1ccccc1/C=N/CCC[C@H]1CCCCO1 ZINC000184307181 347156413 /nfs/dbraw/zinc/15/64/13/347156413.db2.gz SEADIXGALFTPOA-RGHBXIHOSA-N -1 3 247.338 3.160 20 30 BGEDHM C=C(C)C[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000184836984 353715160 /nfs/dbraw/zinc/71/51/60/353715160.db2.gz FTTALOLZLDEDRK-VIFPVBQESA-N -1 3 237.274 3.072 20 30 BGEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000184837004 353714366 /nfs/dbraw/zinc/71/43/66/353714366.db2.gz FTTALOLZLDEDRK-SECBINFHSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C(C)C[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000184891309 345945089 /nfs/dbraw/zinc/94/50/89/345945089.db2.gz LZNONWXATBIWBF-VIFPVBQESA-N -1 3 237.274 3.072 20 30 BGEDHM C=C(C)C[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000184891326 345944790 /nfs/dbraw/zinc/94/47/90/345944790.db2.gz LZNONWXATBIWBF-SECBINFHSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C(C)C[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000185008542 347188233 /nfs/dbraw/zinc/18/82/33/347188233.db2.gz XHKWKKJBRYDYRR-NSHDSACASA-N -1 3 233.311 3.241 20 30 BGEDHM C=C(C)C[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000185008561 353739891 /nfs/dbraw/zinc/73/98/91/353739891.db2.gz XHKWKKJBRYDYRR-LLVKDONJSA-N -1 3 233.311 3.241 20 30 BGEDHM COC1(C/N=C/c2ccccc2[O-])CCCCC1 ZINC000186844280 536592442 /nfs/dbraw/zinc/59/24/42/536592442.db2.gz HOSADHIEOLUFOB-LFIBNONCSA-N -1 3 247.338 3.160 20 30 BGEDHM C=C[C@](C)(CC)C(=O)Nc1cc(F)ccc1[O-] ZINC000189033415 187391427 /nfs/dbraw/zinc/39/14/27/187391427.db2.gz YKZYRCDXPFCBLS-CYBMUJFWSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C[C@@](C)(CC)C(=O)Nc1cc(F)ccc1[O-] ZINC000189033443 187391329 /nfs/dbraw/zinc/39/13/29/187391329.db2.gz YKZYRCDXPFCBLS-ZDUSSCGKSA-N -1 3 237.274 3.072 20 30 BGEDHM C=CCC1(C(=O)Nc2ccccc2[O-])CCC1 ZINC000189219644 192029693 /nfs/dbraw/zinc/02/96/93/192029693.db2.gz ASXZIGHIJDPBCM-UHFFFAOYSA-N -1 3 231.295 3.077 20 30 BGEDHM CCOC1CC(CC/N=C/c2ccccc2[O-])C1 ZINC000189648463 347306217 /nfs/dbraw/zinc/30/62/17/347306217.db2.gz AZTLPDWEWOVYSF-LFIBNONCSA-N -1 3 247.338 3.016 20 30 BGEDHM C=CCC1(C(=O)Nc2cc(F)ccc2[O-])CCC1 ZINC000189797673 387290140 /nfs/dbraw/zinc/29/01/40/387290140.db2.gz ZLAZOAOAKBLMDW-UHFFFAOYSA-N -1 3 249.285 3.216 20 30 BGEDHM C=CCC1(C(=O)Nc2cccc([O-])c2F)CCC1 ZINC000189856608 353682027 /nfs/dbraw/zinc/68/20/27/353682027.db2.gz NYBMRZMJUWAZIR-UHFFFAOYSA-N -1 3 249.285 3.216 20 30 BGEDHM C=CCC1(C(=O)Nc2ccc([O-])cc2F)CCC1 ZINC000190082285 357681987 /nfs/dbraw/zinc/68/19/87/357681987.db2.gz SSKYERGSXRINNQ-UHFFFAOYSA-N -1 3 249.285 3.216 20 30 BGEDHM C=CCC1(C(=O)Nc2ccc(C)cc2[O-])CCC1 ZINC000190496034 353398721 /nfs/dbraw/zinc/39/87/21/353398721.db2.gz FRMQYEFFBBKTCJ-UHFFFAOYSA-N -1 3 245.322 3.386 20 30 BGEDHM CSC1(C/N=C/c2ccccc2[O-])CCC1 ZINC000193256603 347394098 /nfs/dbraw/zinc/39/40/98/347394098.db2.gz JMTUZEMDJNVVDB-NTEUORMPSA-N -1 3 235.352 3.097 20 30 BGEDHM O=C1c2cccc([O-])c2C/C1=C\c1ccsc1 ZINC000207542957 589580649 /nfs/dbraw/zinc/58/06/49/589580649.db2.gz VTMSRQHHDWCINP-UXBLZVDNSA-N -1 3 242.299 3.276 20 30 BGEDHM C#Cc1cccc(NCc2ccc([O-])c(F)c2)c1 ZINC000232421160 641275734 /nfs/dbraw/zinc/27/57/34/641275734.db2.gz TZSIZNRKCQMHAU-UHFFFAOYSA-N -1 3 241.265 3.125 20 30 BGEDHM CC(=O)c1cccc(N=Cc2ccccc2[O-])c1 ZINC000254318842 388661047 /nfs/dbraw/zinc/66/10/47/388661047.db2.gz JFQORNWAPCFEIV-UHFFFAOYSA-N -1 3 239.274 3.345 20 30 BGEDHM Cc1cc(C)cc(N=Cc2cccc([O-])c2O)c1 ZINC000254349993 398308689 /nfs/dbraw/zinc/30/86/89/398308689.db2.gz NNDPCBXVVWJLIC-UHFFFAOYSA-N -1 3 241.290 3.465 20 30 BGEDHM COc1cccc(N=Cc2ccccc2[O-])c1 ZINC000254483874 388781978 /nfs/dbraw/zinc/78/19/78/388781978.db2.gz PUORDCAAMKGOOK-UHFFFAOYSA-N -1 3 227.263 3.151 20 30 BGEDHM Cc1ccc(N=Cc2cccc([O-])c2O)c(C)c1 ZINC000254753122 388358567 /nfs/dbraw/zinc/35/85/67/388358567.db2.gz REONECMWKZYBTN-UHFFFAOYSA-N -1 3 241.290 3.465 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccco1 ZINC000255041356 643277406 /nfs/dbraw/zinc/27/74/06/643277406.db2.gz RDMMNHCFGFQXFN-AUWJEWJLSA-N -1 3 235.670 3.258 20 30 BGEDHM N#Cc1ccccc1/C=C\C(=O)c1cccc([O-])c1 ZINC000255428929 631680368 /nfs/dbraw/zinc/68/03/68/631680368.db2.gz KQLGWUAAQORCNT-HJWRWDBZSA-N -1 3 249.269 3.160 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccncc1 ZINC000255670625 632689589 /nfs/dbraw/zinc/68/95/89/632689589.db2.gz BSLKYSSOFCQGKG-SXGWCWSVSA-N -1 3 246.697 3.060 20 30 BGEDHM Cc1ccc(N=Cc2cccc([O-])c2O)cc1 ZINC000263628997 386311759 /nfs/dbraw/zinc/31/17/59/386311759.db2.gz MVWQZWSRRZYUQN-UHFFFAOYSA-N -1 3 227.263 3.157 20 30 BGEDHM CCC1(C/N=C/c2ccccc2[O-])CCOCC1 ZINC000266697906 135148987 /nfs/dbraw/zinc/14/89/87/135148987.db2.gz GANDOVILOWOZRD-LFIBNONCSA-N -1 3 247.338 3.018 20 30 BGEDHM C=C[C@H](CC(=O)[N-]OCC(C)C)c1ccccc1 ZINC000270354966 387440033 /nfs/dbraw/zinc/44/00/33/387440033.db2.gz AOEVCDMCKXUSKR-CYBMUJFWSA-N -1 3 247.338 3.050 20 30 BGEDHM C=C[C@@H](CC(=O)[N-]OCC(C)C)c1ccccc1 ZINC000270354967 387430512 /nfs/dbraw/zinc/43/05/12/387430512.db2.gz AOEVCDMCKXUSKR-ZDUSSCGKSA-N -1 3 247.338 3.050 20 30 BGEDHM C=C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271151417 188090429 /nfs/dbraw/zinc/09/04/29/188090429.db2.gz FAOZSOXEFZRAMX-UHFFFAOYSA-N -1 3 237.730 3.198 20 30 BGEDHM CC(C)[C@@H]1C[C@H](/N=C/c2ccccc2[O-])CCO1 ZINC000271288198 351410905 /nfs/dbraw/zinc/41/09/05/351410905.db2.gz FACZGKLGWQTYKK-LDTNDYRISA-N -1 3 247.338 3.015 20 30 BGEDHM CC(C)[C@H]1C[C@@H](/N=C/c2ccccc2[O-])CCO1 ZINC000271288199 351411069 /nfs/dbraw/zinc/41/10/69/351411069.db2.gz FACZGKLGWQTYKK-SRECSKBZSA-N -1 3 247.338 3.015 20 30 BGEDHM CC(C)[C@H]1C[C@H](/N=C/c2ccccc2[O-])CCO1 ZINC000271288201 351410705 /nfs/dbraw/zinc/41/07/05/351410705.db2.gz FACZGKLGWQTYKK-VFBOHGMLSA-N -1 3 247.338 3.015 20 30 BGEDHM CC(C)[C@@H]1C[C@@H](/N=C/c2ccccc2[O-])CCO1 ZINC000271288203 351410833 /nfs/dbraw/zinc/41/08/33/351410833.db2.gz FACZGKLGWQTYKK-VSSJFHQUSA-N -1 3 247.338 3.015 20 30 BGEDHM C=C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271697455 188263146 /nfs/dbraw/zinc/26/31/46/188263146.db2.gz BQVNKQZTCJKODY-UHFFFAOYSA-N -1 3 237.730 3.198 20 30 BGEDHM C=CCC(CC=C)C(=O)Nc1c(C)cccc1[O-] ZINC000272564548 398148400 /nfs/dbraw/zinc/14/84/00/398148400.db2.gz UQINRUVBMXQUSZ-UHFFFAOYSA-N -1 3 245.322 3.408 20 30 BGEDHM C=CCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000272610779 132306036 /nfs/dbraw/zinc/30/60/36/132306036.db2.gz ZVKZERMJYAOYLW-UHFFFAOYSA-N -1 3 245.322 3.028 20 30 BGEDHM C=CCCCCCN(C)C(=O)c1cccc([O-])c1 ZINC000272719776 188091341 /nfs/dbraw/zinc/09/13/41/188091341.db2.gz GYWGHBPJGVDWNT-UHFFFAOYSA-N -1 3 247.338 3.211 20 30 BGEDHM C[C@@H]1C[C@H](CC/N=C/c2ccccc2[O-])CCO1 ZINC000272885641 351500625 /nfs/dbraw/zinc/50/06/25/351500625.db2.gz AJXMCRQHTZXRNK-BPLGGGKVSA-N -1 3 247.338 3.016 20 30 BGEDHM C[C@H]1C[C@@H](CC/N=C/c2ccccc2[O-])CCO1 ZINC000272885643 351500492 /nfs/dbraw/zinc/50/04/92/351500492.db2.gz AJXMCRQHTZXRNK-DWAVZPTGSA-N -1 3 247.338 3.016 20 30 BGEDHM C[C@@H]1C[C@@H](CC/N=C/c2ccccc2[O-])CCO1 ZINC000272885645 351500374 /nfs/dbraw/zinc/50/03/74/351500374.db2.gz AJXMCRQHTZXRNK-IGDPJRHMSA-N -1 3 247.338 3.016 20 30 BGEDHM C[C@H]1C[C@H](CC/N=C/c2ccccc2[O-])CCO1 ZINC000272885647 351500681 /nfs/dbraw/zinc/50/06/81/351500681.db2.gz AJXMCRQHTZXRNK-NGTWCYAPSA-N -1 3 247.338 3.016 20 30 BGEDHM C=CCN(Cc1cccc(Cl)c1[O-])C1CC1 ZINC000273360191 166346911 /nfs/dbraw/zinc/34/69/11/166346911.db2.gz CLMPLXBRVKWURC-UHFFFAOYSA-N -1 3 237.730 3.196 20 30 BGEDHM C=CCCN(C)Cc1c([O-])cccc1Cl ZINC000276178976 166255898 /nfs/dbraw/zinc/25/58/98/166255898.db2.gz UULLGRFVEFHHQB-UHFFFAOYSA-N -1 3 225.719 3.054 20 30 BGEDHM C=C[C@@](C)(CC)c1nc(-c2ccc([O-])cc2)no1 ZINC000276201451 387519026 /nfs/dbraw/zinc/51/90/26/387519026.db2.gz NPHYMSHBFYWRJE-AWEZNQCLSA-N -1 3 244.294 3.296 20 30 BGEDHM C=C[C@](C)(CC)c1nc(-c2ccc([O-])cc2)no1 ZINC000276201454 387521787 /nfs/dbraw/zinc/52/17/87/387521787.db2.gz NPHYMSHBFYWRJE-CQSZACIVSA-N -1 3 244.294 3.296 20 30 BGEDHM C=CCCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000276326274 166253834 /nfs/dbraw/zinc/25/38/34/166253834.db2.gz ZPFASROOAQEYJY-UHFFFAOYSA-N -1 3 247.338 3.164 20 30 BGEDHM C=C(Cl)CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276891305 384563409 /nfs/dbraw/zinc/56/34/09/384563409.db2.gz HTZYKCKWNQDZJU-SSDOTTSWSA-N -1 3 247.672 3.074 20 30 BGEDHM C=C(Cl)CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276892682 388350818 /nfs/dbraw/zinc/35/08/18/388350818.db2.gz HTZYKCKWNQDZJU-ZETCQYMHSA-N -1 3 247.672 3.074 20 30 BGEDHM [O-]c1ccccc1/C=N/C[C@H]1CCC(F)(F)C1 ZINC000280381942 351841580 /nfs/dbraw/zinc/84/15/80/351841580.db2.gz LWPQRVZTZAKNMR-JSJZUPIVSA-N -1 3 239.265 3.247 20 30 BGEDHM [O-]c1ccccc1/C=N/C[C@@H]1CCC(F)(F)C1 ZINC000280381945 351841934 /nfs/dbraw/zinc/84/19/34/351841934.db2.gz LWPQRVZTZAKNMR-VCBXAZPMSA-N -1 3 239.265 3.247 20 30 BGEDHM N#CC1CCC(C/N=C/c2ccccc2[O-])CC1 ZINC000281660743 181032526 /nfs/dbraw/zinc/03/25/26/181032526.db2.gz CIHBLYFWKKUHRO-GZTJUZNOSA-N -1 3 242.322 3.141 20 30 BGEDHM C=C(C)CCc1noc(-c2cc(C)ccc2[O-])n1 ZINC000285092070 353528773 /nfs/dbraw/zinc/52/87/73/353528773.db2.gz KMMMXPBUJJKQFT-UHFFFAOYSA-N -1 3 244.294 3.259 20 30 BGEDHM C=C(C)CCc1noc(-c2cccc(C)c2[O-])n1 ZINC000285242866 353531754 /nfs/dbraw/zinc/53/17/54/353531754.db2.gz WIPLOFWBVOHABV-UHFFFAOYSA-N -1 3 244.294 3.259 20 30 BGEDHM C=C(C)CCc1noc(-c2ccc(C)cc2[O-])n1 ZINC000285262360 353532198 /nfs/dbraw/zinc/53/21/98/353532198.db2.gz XUHCRCWWPVRHOL-UHFFFAOYSA-N -1 3 244.294 3.259 20 30 BGEDHM C=C(Cl)CN[C@H](CC)c1ccc(F)cc1[O-] ZINC000285955035 135372432 /nfs/dbraw/zinc/37/24/32/135372432.db2.gz FGCQBMOWJJZTOM-LLVKDONJSA-N -1 3 243.709 3.325 20 30 BGEDHM C=C(Cl)CN[C@@H](CC)c1ccc(F)cc1[O-] ZINC000285955036 135372889 /nfs/dbraw/zinc/37/28/89/135372889.db2.gz FGCQBMOWJJZTOM-NSHDSACASA-N -1 3 243.709 3.325 20 30 BGEDHM [O-]c1ccccc1/C=N/[C@@H](C1CC1)C(F)(F)F ZINC000287245821 133566916 /nfs/dbraw/zinc/56/69/16/133566916.db2.gz PBDFDZVBHGNBAT-JRUYLCMPSA-N -1 3 243.228 3.152 20 30 BGEDHM [O-]c1ccccc1/C=N/[C@H](C1CC1)C(F)(F)F ZINC000287245823 133567104 /nfs/dbraw/zinc/56/71/04/133567104.db2.gz PBDFDZVBHGNBAT-PFJSLNBISA-N -1 3 243.228 3.152 20 30 BGEDHM C=CC[C@@H](CC)NC(=O)c1ccc([O-])c(CC)c1 ZINC000291687309 353697427 /nfs/dbraw/zinc/69/74/27/353697427.db2.gz NVFQDFGNGZMTQV-CYBMUJFWSA-N -1 3 247.338 3.039 20 30 BGEDHM C=CC[C@H](CC)NC(=O)c1ccc([O-])c(CC)c1 ZINC000291687310 353697660 /nfs/dbraw/zinc/69/76/60/353697660.db2.gz NVFQDFGNGZMTQV-ZDUSSCGKSA-N -1 3 247.338 3.039 20 30 BGEDHM CCC(CC)(C/N=C/c1ccccc1[O-])OC ZINC000291867285 352292526 /nfs/dbraw/zinc/29/25/26/352292526.db2.gz JMOKSNVCSMNUIB-XNTDXEJSSA-N -1 3 235.327 3.016 20 30 BGEDHM C=CCC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000291962475 353702853 /nfs/dbraw/zinc/70/28/53/353702853.db2.gz SAZIMRFEWRJIRH-UHFFFAOYSA-N -1 3 244.294 3.296 20 30 BGEDHM C=CCC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000292287581 353709091 /nfs/dbraw/zinc/70/90/91/353709091.db2.gz IXNFGONDWRIEQE-UHFFFAOYSA-N -1 3 233.311 3.241 20 30 BGEDHM C=CCCCNCc1cccc([O-])c1Cl ZINC000293392206 534733473 /nfs/dbraw/zinc/73/34/73/534733473.db2.gz XDPXCZGQTIIRRW-UHFFFAOYSA-N -1 3 225.719 3.101 20 30 BGEDHM C=CC[C@@H](CC)NCc1cccc([O-])c1Cl ZINC000293398309 135376574 /nfs/dbraw/zinc/37/65/74/135376574.db2.gz XUKXRNLEBNAQHF-LLVKDONJSA-N -1 3 239.746 3.490 20 30 BGEDHM C=CC[C@H](CC)NCc1cccc([O-])c1Cl ZINC000293398320 353748081 /nfs/dbraw/zinc/74/80/81/353748081.db2.gz XUKXRNLEBNAQHF-NSHDSACASA-N -1 3 239.746 3.490 20 30 BGEDHM C=CCC(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000293420117 135179994 /nfs/dbraw/zinc/17/99/94/135179994.db2.gz KWLAHOXXYBICFZ-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM C=CC[C@@H](C)NCc1cccc([O-])c1Cl ZINC000293567458 534887116 /nfs/dbraw/zinc/88/71/16/534887116.db2.gz MQXUBQMWDMBWNH-SECBINFHSA-N -1 3 225.719 3.100 20 30 BGEDHM C=CC[C@H](C)NCc1cccc([O-])c1Cl ZINC000293567464 534351653 /nfs/dbraw/zinc/35/16/53/534351653.db2.gz MQXUBQMWDMBWNH-VIFPVBQESA-N -1 3 225.719 3.100 20 30 BGEDHM C=CCC(C)(C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000293753521 343691802 /nfs/dbraw/zinc/69/18/02/343691802.db2.gz KPWPYLZVWCAKBM-UHFFFAOYSA-N -1 3 247.338 3.033 20 30 BGEDHM C=CCCN(C)Cc1cccc([O-])c1Cl ZINC000294571870 136230172 /nfs/dbraw/zinc/23/01/72/136230172.db2.gz GMFFGJKJGGCFHK-UHFFFAOYSA-N -1 3 225.719 3.054 20 30 BGEDHM C=CCCCCNCc1c(F)ccc([O-])c1F ZINC000294778730 353788766 /nfs/dbraw/zinc/78/87/66/353788766.db2.gz UFRDFNJBYSXNOA-UHFFFAOYSA-N -1 3 241.281 3.116 20 30 BGEDHM C=C(C)CN(CC)Cc1c(F)ccc([O-])c1F ZINC000294783436 353789347 /nfs/dbraw/zinc/78/93/47/353789347.db2.gz BUSWRYPZKULUHG-UHFFFAOYSA-N -1 3 241.281 3.068 20 30 BGEDHM C=CC(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000294843162 353791122 /nfs/dbraw/zinc/79/11/22/353791122.db2.gz MTAWOICUVNVSDE-UHFFFAOYSA-N -1 3 239.702 3.196 20 30 BGEDHM C=CCCCN(C)Cc1c(F)ccc([O-])c1F ZINC000295326117 353804335 /nfs/dbraw/zinc/80/43/35/353804335.db2.gz LORQBNIYRXZPMQ-UHFFFAOYSA-N -1 3 241.281 3.068 20 30 BGEDHM C=CC(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000296181503 353816401 /nfs/dbraw/zinc/81/64/01/353816401.db2.gz AYJXZYMWXJUMCR-UHFFFAOYSA-N -1 3 239.702 3.196 20 30 BGEDHM C=CCCc1noc(-c2ccc(CC)cc2[O-])n1 ZINC000297293321 353848406 /nfs/dbraw/zinc/84/84/06/353848406.db2.gz LYCMTTGAYJXCBP-UHFFFAOYSA-N -1 3 244.294 3.123 20 30 BGEDHM C=CCCc1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000297359246 534809217 /nfs/dbraw/zinc/80/92/17/534809217.db2.gz PQOKYPKXUBRFPR-UHFFFAOYSA-N -1 3 244.294 3.178 20 30 BGEDHM Cc1nc(Sc2ccc([O-])cc2)ccc1C#N ZINC000310083730 180032846 /nfs/dbraw/zinc/03/28/46/180032846.db2.gz LTMRQIHQMSIGNJ-UHFFFAOYSA-N -1 3 242.303 3.119 20 30 BGEDHM C=CCC(C)(C)CNC(=O)c1cccc(C)c1[O-] ZINC000311076750 388492546 /nfs/dbraw/zinc/49/25/46/388492546.db2.gz NLIJGWGLNRPDQA-UHFFFAOYSA-N -1 3 247.338 3.033 20 30 BGEDHM C=CCC(C)(C)CNC(=O)c1cc(C)ccc1[O-] ZINC000311110188 388493462 /nfs/dbraw/zinc/49/34/62/388493462.db2.gz WKLJTGJMCGGHKG-UHFFFAOYSA-N -1 3 247.338 3.033 20 30 BGEDHM C=C(CC)CNCc1cccc([O-])c1Cl ZINC000313499161 259336364 /nfs/dbraw/zinc/33/63/64/259336364.db2.gz OTTFSLBIVNMVCT-UHFFFAOYSA-N -1 3 225.719 3.101 20 30 BGEDHM C=CCCCCNCc1cccc([O-])c1Cl ZINC000328202697 324229011 /nfs/dbraw/zinc/22/90/11/324229011.db2.gz GPHFOAPULSETEL-UHFFFAOYSA-N -1 3 239.746 3.492 20 30 BGEDHM CCC(CC)(CC)NC(=O)c1csc(=O)[n-]1 ZINC000330960557 353204818 /nfs/dbraw/zinc/20/48/18/353204818.db2.gz FMJDCEJTHCETSA-UHFFFAOYSA-N -1 3 242.344 3.122 20 30 BGEDHM Cc1nsc(Sc2cccc([O-])c2)c1C#N ZINC000334584370 343893889 /nfs/dbraw/zinc/89/38/89/343893889.db2.gz RSJNSTQAUGFDKN-UHFFFAOYSA-N -1 3 248.332 3.180 20 30 BGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc([O-])cc1F ZINC000335111859 354697811 /nfs/dbraw/zinc/69/78/11/354697811.db2.gz PAKYPJVKSYXJTG-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C(C)C(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000335537782 386742233 /nfs/dbraw/zinc/74/22/33/386742233.db2.gz FIEHGAVGORQPHX-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM Cc1nsc(Sc2ccc([O-])cc2)c1C#N ZINC000335988806 134039332 /nfs/dbraw/zinc/03/93/32/134039332.db2.gz BBRMNOAFBNAOGX-UHFFFAOYSA-N -1 3 248.332 3.180 20 30 BGEDHM C=CCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000336047752 534608010 /nfs/dbraw/zinc/60/80/10/534608010.db2.gz OHRDVDHVPXSKSQ-LLVKDONJSA-N -1 3 245.322 3.199 20 30 BGEDHM C=CCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000336047753 534610089 /nfs/dbraw/zinc/61/00/89/534610089.db2.gz OHRDVDHVPXSKSQ-NSHDSACASA-N -1 3 245.322 3.199 20 30 BGEDHM Cc1nc(Sc2cccc([O-])c2)ccc1C#N ZINC000336728250 180032886 /nfs/dbraw/zinc/03/28/86/180032886.db2.gz WQPLNJPJJSQULI-UHFFFAOYSA-N -1 3 242.303 3.119 20 30 BGEDHM C=CCC(CC=C)C(=O)Nc1cc(F)ccc1[O-] ZINC000340328215 352206207 /nfs/dbraw/zinc/20/62/07/352206207.db2.gz FARLNOPGWMAIBU-UHFFFAOYSA-N -1 3 249.285 3.238 20 30 BGEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000345416872 354652545 /nfs/dbraw/zinc/65/25/45/354652545.db2.gz QDMSDKSIASVPRF-SECBINFHSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000345416873 354652870 /nfs/dbraw/zinc/65/28/70/354652870.db2.gz QDMSDKSIASVPRF-VIFPVBQESA-N -1 3 237.274 3.072 20 30 BGEDHM C=CCC(C)(C)C(=O)Nc1ccc([O-])cc1F ZINC000346000116 354836425 /nfs/dbraw/zinc/83/64/25/354836425.db2.gz WSIORDVAASANBS-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C(C)CN(C)Cc1cccc([O-])c1Cl ZINC000352818268 134152699 /nfs/dbraw/zinc/15/26/99/134152699.db2.gz SWLWUXWEHAWSGC-UHFFFAOYSA-N -1 3 225.719 3.054 20 30 BGEDHM C=CCCC1(C(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000353515444 534643525 /nfs/dbraw/zinc/64/35/25/534643525.db2.gz OOOPPRCRTDHJDL-UHFFFAOYSA-N -1 3 245.322 3.386 20 30 BGEDHM C=CCCC1(C(=O)Nc2ccccc2[O-])CC1 ZINC000354839826 534644399 /nfs/dbraw/zinc/64/43/99/534644399.db2.gz RDCLLYOONSJWNT-UHFFFAOYSA-N -1 3 231.295 3.077 20 30 BGEDHM C=CCCC1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000356533523 534643141 /nfs/dbraw/zinc/64/31/41/534643141.db2.gz OYURIUGGNZCTBM-UHFFFAOYSA-N -1 3 249.285 3.216 20 30 BGEDHM C=CCCC1(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000356687956 397935263 /nfs/dbraw/zinc/93/52/63/397935263.db2.gz FEDKUHYLLIRUEU-UHFFFAOYSA-N -1 3 249.285 3.216 20 30 BGEDHM CCCCCCCCC(=O)[N-]OC(C)C ZINC000379060607 712368952 /nfs/dbraw/zinc/36/89/52/712368952.db2.gz QXSHIWKLEYTUAT-UHFFFAOYSA-N -1 3 215.337 3.193 20 30 BGEDHM C=CCC(C)(C)CNC(=O)c1ccc(C)cc1[O-] ZINC000381044414 343885521 /nfs/dbraw/zinc/88/55/21/343885521.db2.gz WTGDIZXWPKEYNA-UHFFFAOYSA-N -1 3 247.338 3.033 20 30 BGEDHM C=CC(C)(C)CNCc1cccc([O-])c1Cl ZINC000384856066 367745128 /nfs/dbraw/zinc/74/51/28/367745128.db2.gz MXZSDXCXXGVFII-UHFFFAOYSA-N -1 3 239.746 3.347 20 30 BGEDHM C=C(C)CCNCc1cccc([O-])c1Cl ZINC000395413922 386827434 /nfs/dbraw/zinc/82/74/34/386827434.db2.gz JANWFEPRKCNJII-UHFFFAOYSA-N -1 3 225.719 3.101 20 30 BGEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000398248212 384864465 /nfs/dbraw/zinc/86/44/65/384864465.db2.gz JRUOJJUSVDMYPR-GFCCVEGCSA-N -1 3 247.338 3.175 20 30 BGEDHM C=CCCC[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000398248214 384865872 /nfs/dbraw/zinc/86/58/72/384865872.db2.gz JRUOJJUSVDMYPR-LBPRGKRZSA-N -1 3 247.338 3.175 20 30 BGEDHM C=CCCC[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000398277462 384885158 /nfs/dbraw/zinc/88/51/58/384885158.db2.gz LQNNAASGLFDSDT-GFCCVEGCSA-N -1 3 247.338 3.175 20 30 BGEDHM C=CCCC[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000398277463 384884918 /nfs/dbraw/zinc/88/49/18/384884918.db2.gz LQNNAASGLFDSDT-LBPRGKRZSA-N -1 3 247.338 3.175 20 30 BGEDHM C=CCCC[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000398290307 384889395 /nfs/dbraw/zinc/88/93/95/384889395.db2.gz YCVYSUUBWOMECB-GFCCVEGCSA-N -1 3 247.338 3.175 20 30 BGEDHM C=CCCC[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000398290309 384891263 /nfs/dbraw/zinc/89/12/63/384891263.db2.gz YCVYSUUBWOMECB-LBPRGKRZSA-N -1 3 247.338 3.175 20 30 BGEDHM C=CCCC[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000398292615 384889793 /nfs/dbraw/zinc/88/97/93/384889793.db2.gz ZRJBNSLLQHKDCH-GFCCVEGCSA-N -1 3 247.338 3.175 20 30 BGEDHM C=CCCC[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000398292616 384889129 /nfs/dbraw/zinc/88/91/29/384889129.db2.gz ZRJBNSLLQHKDCH-LBPRGKRZSA-N -1 3 247.338 3.175 20 30 BGEDHM C=C(C)C(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000424216041 200890409 /nfs/dbraw/zinc/89/04/09/200890409.db2.gz AEFNNVCHKPMGRD-UHFFFAOYSA-N -1 3 244.294 3.296 20 30 BGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000424530860 388097603 /nfs/dbraw/zinc/09/76/03/388097603.db2.gz HTKGRMPOMZWONY-UHFFFAOYSA-N -1 3 233.311 3.241 20 30 BGEDHM C=C(C)C(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000424761957 387347386 /nfs/dbraw/zinc/34/73/86/387347386.db2.gz YKHDZLZVXVSESZ-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM C=C[C@@H]1CCCCN1Cc1cc([O-])cc(F)c1 ZINC000426543987 387580410 /nfs/dbraw/zinc/58/04/10/387580410.db2.gz LFMXLZYZTKBYKI-CYBMUJFWSA-N -1 3 235.302 3.072 20 30 BGEDHM C=C[C@H]1CCCCN1Cc1cc([O-])cc(F)c1 ZINC000426543988 387580667 /nfs/dbraw/zinc/58/06/67/387580667.db2.gz LFMXLZYZTKBYKI-ZDUSSCGKSA-N -1 3 235.302 3.072 20 30 BGEDHM C=CC[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436551409 201331754 /nfs/dbraw/zinc/33/17/54/201331754.db2.gz YOABCNDFDNBISW-LLVKDONJSA-N -1 3 247.338 3.210 20 30 BGEDHM C=CC[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436551410 201331528 /nfs/dbraw/zinc/33/15/28/201331528.db2.gz YOABCNDFDNBISW-NSHDSACASA-N -1 3 247.338 3.210 20 30 BGEDHM C=CCC(C)(C)c1noc(-c2ccccc2[O-])n1 ZINC000436561379 201330505 /nfs/dbraw/zinc/33/05/05/201330505.db2.gz BMLFHGGKSOKCHW-UHFFFAOYSA-N -1 3 244.294 3.296 20 30 BGEDHM C=CC[C@@H](CC)NC(=O)c1ccc(CC)cc1[O-] ZINC000436780597 201337280 /nfs/dbraw/zinc/33/72/80/201337280.db2.gz PBQIATTZIBGLKP-GFCCVEGCSA-N -1 3 247.338 3.039 20 30 BGEDHM C=CC[C@H](CC)NC(=O)c1ccc(CC)cc1[O-] ZINC000436780601 201336761 /nfs/dbraw/zinc/33/67/61/201336761.db2.gz PBQIATTZIBGLKP-LBPRGKRZSA-N -1 3 247.338 3.039 20 30 BGEDHM C=CC[C@@H](CC)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436780652 201336648 /nfs/dbraw/zinc/33/66/48/201336648.db2.gz PKMYNOCSFPWMBJ-GFCCVEGCSA-N -1 3 247.338 3.094 20 30 BGEDHM C=CC[C@H](CC)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436780653 201336850 /nfs/dbraw/zinc/33/68/50/201336850.db2.gz PKMYNOCSFPWMBJ-LBPRGKRZSA-N -1 3 247.338 3.094 20 30 BGEDHM C=CC[C@@H](CC)NC(=O)c1cc(CC)ccc1[O-] ZINC000436782261 201335589 /nfs/dbraw/zinc/33/55/89/201335589.db2.gz WVRALQUHDWTTMI-GFCCVEGCSA-N -1 3 247.338 3.039 20 30 BGEDHM C=CC[C@H](CC)NC(=O)c1cc(CC)ccc1[O-] ZINC000436782263 201336558 /nfs/dbraw/zinc/33/65/58/201336558.db2.gz WVRALQUHDWTTMI-LBPRGKRZSA-N -1 3 247.338 3.039 20 30 BGEDHM C=C(C)CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436889181 201341985 /nfs/dbraw/zinc/34/19/85/201341985.db2.gz QDXLRYITCPZEBQ-UHFFFAOYSA-N -1 3 247.338 3.164 20 30 BGEDHM C=CCC1(C(=O)Nc2ccccc2[O-])CCCC1 ZINC000449158226 388150519 /nfs/dbraw/zinc/15/05/19/388150519.db2.gz SOFIIRHVYVKKOY-UHFFFAOYSA-N -1 3 245.322 3.467 20 30 BGEDHM C=CCCc1noc(-c2cc(CC)ccc2[O-])n1 ZINC000453235532 388019263 /nfs/dbraw/zinc/01/92/63/388019263.db2.gz MGNYRSGHIJWTRA-UHFFFAOYSA-N -1 3 244.294 3.123 20 30 BGEDHM C=CCCCCNC(=O)c1ccc([O-])c(CC)c1 ZINC000487188765 527167111 /nfs/dbraw/zinc/16/71/11/527167111.db2.gz GPVCGHNFDBMLJV-UHFFFAOYSA-N -1 3 247.338 3.041 20 30 BGEDHM C=C(C)CN(CC)Cc1cccc([O-])c1Cl ZINC000506879689 526547656 /nfs/dbraw/zinc/54/76/56/526547656.db2.gz FEJWRQUQPRMBCD-UHFFFAOYSA-N -1 3 239.746 3.444 20 30 BGEDHM C=CCCCN(C)Cc1cccc([O-])c1Cl ZINC000508682426 527191839 /nfs/dbraw/zinc/19/18/39/527191839.db2.gz WHFDROLMKCFVGO-UHFFFAOYSA-N -1 3 239.746 3.444 20 30 BGEDHM C=CCC(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000515441947 487635990 /nfs/dbraw/zinc/63/59/90/487635990.db2.gz IMVHBGYDIXCYFR-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM C=CCCc1noc(-c2cccc(CC)c2[O-])n1 ZINC000519745981 256658816 /nfs/dbraw/zinc/65/88/16/256658816.db2.gz VJIMVCLFKSKSLD-UHFFFAOYSA-N -1 3 244.294 3.123 20 30 BGEDHM C=CCCC1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000527251646 387549509 /nfs/dbraw/zinc/54/95/09/387549509.db2.gz WXUUZEQNHRTWDC-UHFFFAOYSA-N -1 3 249.285 3.216 20 30 BGEDHM C=CCC(CC=C)C(=O)Nc1cccc([O-])c1F ZINC000536461822 384854358 /nfs/dbraw/zinc/85/43/58/384854358.db2.gz ASQDCQJAGFEQFC-UHFFFAOYSA-N -1 3 249.285 3.238 20 30 BGEDHM C=CC[C@@H](CC)NC(=O)c1cccc(CC)c1[O-] ZINC000545986810 325253962 /nfs/dbraw/zinc/25/39/62/325253962.db2.gz BPLMRWFWKXPCIO-GFCCVEGCSA-N -1 3 247.338 3.039 20 30 BGEDHM C=CC[C@H](CC)NC(=O)c1cccc(CC)c1[O-] ZINC000545986811 325254131 /nfs/dbraw/zinc/25/41/31/325254131.db2.gz BPLMRWFWKXPCIO-LBPRGKRZSA-N -1 3 247.338 3.039 20 30 BGEDHM C=CCCCC(=O)Nc1c([O-])cccc1Cl ZINC000581676135 367704831 /nfs/dbraw/zinc/70/48/31/367704831.db2.gz NVIGFBWKFWKXDK-UHFFFAOYSA-N -1 3 239.702 3.340 20 30 BGEDHM Cc1ccc(NC(=O)CCCCCC#N)c([O-])c1 ZINC000588147221 346639755 /nfs/dbraw/zinc/63/97/55/346639755.db2.gz HDQJLQDGUXEKSO-UHFFFAOYSA-N -1 3 246.310 3.113 20 30 BGEDHM Cc1cccc([O-])c1NC(=O)CCCCCC#N ZINC000589845500 346742409 /nfs/dbraw/zinc/74/24/09/346742409.db2.gz HZXPWWTXZYTFQM-UHFFFAOYSA-N -1 3 246.310 3.113 20 30 BGEDHM C=CC(C)(C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616939607 347506823 /nfs/dbraw/zinc/50/68/23/347506823.db2.gz ICDILKXGKCKJEF-UHFFFAOYSA-N -1 3 239.702 3.196 20 30 BGEDHM C=CCC1(NC(=O)c2cccc([O-])c2)CCCC1 ZINC000619106836 369285023 /nfs/dbraw/zinc/28/50/23/369285023.db2.gz WTEJHZZSZXRKSQ-UHFFFAOYSA-N -1 3 245.322 3.011 20 30 BGEDHM C=CCCC(C)(C)NC(=O)c1ccc([O-])c(C)c1 ZINC000620857554 370010876 /nfs/dbraw/zinc/01/08/76/370010876.db2.gz AGUKBXFRUDUXDP-UHFFFAOYSA-N -1 3 247.338 3.175 20 30 BGEDHM C=C1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625155203 342895731 /nfs/dbraw/zinc/89/57/31/342895731.db2.gz OBCHXRVGCMCEQL-UHFFFAOYSA-N -1 3 237.730 3.198 20 30 BGEDHM C=CCCCN(C)Cc1cc([O-])ccc1Cl ZINC000625176132 342901406 /nfs/dbraw/zinc/90/14/06/342901406.db2.gz DSOLCARFYZDEHR-UHFFFAOYSA-N -1 3 239.746 3.444 20 30 BGEDHM C=CCN(Cc1cc([O-])ccc1Cl)C1CC1 ZINC000625286277 343220670 /nfs/dbraw/zinc/22/06/70/343220670.db2.gz ZTYOUXJPPVIZEI-UHFFFAOYSA-N -1 3 237.730 3.196 20 30 BGEDHM C=C(C)CN(C)Cc1cc([O-])ccc1Cl ZINC000625315718 343231613 /nfs/dbraw/zinc/23/16/13/343231613.db2.gz URURHQBJDNQDJV-UHFFFAOYSA-N -1 3 225.719 3.054 20 30 BGEDHM C=CCCN(C)Cc1cc([O-])ccc1Cl ZINC000625365896 343259354 /nfs/dbraw/zinc/25/93/54/343259354.db2.gz UYARSLGLJGGBNT-UHFFFAOYSA-N -1 3 225.719 3.054 20 30 BGEDHM C=CCCC(C)(C)NC(=O)c1c(C)cccc1[O-] ZINC000628155570 344846227 /nfs/dbraw/zinc/84/62/27/344846227.db2.gz FBGWHFMRGWULHM-UHFFFAOYSA-N -1 3 247.338 3.175 20 30 BGEDHM C=CC(C)(C)CCNC(=O)c1ccc([O-])c(C)c1 ZINC000628314921 350842958 /nfs/dbraw/zinc/84/29/58/350842958.db2.gz RLJOIHHHGDUMLJ-UHFFFAOYSA-N -1 3 247.338 3.033 20 30 BGEDHM C=CCCC(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000633963531 373859981 /nfs/dbraw/zinc/85/99/81/373859981.db2.gz MCLPGRRUOZGZEH-UHFFFAOYSA-N -1 3 247.338 3.114 20 30 BGEDHM C=CCCCCCNC(=O)c1ccc([O-])c(C)c1 ZINC000655246989 409717870 /nfs/dbraw/zinc/71/78/70/409717870.db2.gz LCFNIFLCRJFFCR-UHFFFAOYSA-N -1 3 247.338 3.177 20 30 BGEDHM C=CCCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659791216 411455874 /nfs/dbraw/zinc/45/58/74/411455874.db2.gz YHPKVUJIHHHUFT-UHFFFAOYSA-N -1 3 245.322 3.057 20 30 BGEDHM CCCCCCC(CC)(CC)C(=O)N[O-] ZINC000671996471 487927928 /nfs/dbraw/zinc/92/79/28/487927928.db2.gz UGVGVVQFGROLCH-UHFFFAOYSA-N -1 3 215.337 3.269 20 30 BGEDHM O=C(CC1(CCc2ccccc2)CCCC1)N[O-] ZINC000671996840 487930757 /nfs/dbraw/zinc/93/07/57/487930757.db2.gz XQQDAOJLBDZYES-UHFFFAOYSA-N -1 3 247.338 3.075 20 30 BGEDHM CC(C)(C)SCC/N=C/c1ccccc1[O-] ZINC000727265031 583626046 /nfs/dbraw/zinc/62/60/46/583626046.db2.gz FPWQQWSQDCSXBA-GXDHUFHOSA-N -1 3 237.368 3.343 20 30 BGEDHM Cc1csc([C@H](C)/N=C\c2ccccc2[O-])n1 ZINC000727653484 583715343 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/nfs/dbraw/zinc/02/06/39/584020639.db2.gz BFNLMWSRGTXNOC-MDHSVXEESA-N -1 3 247.338 3.398 20 30 BGEDHM CCOc1ccc(/C=N\[C@@H]2CCC[C@H]2C)c([O-])c1 ZINC000729641057 584020712 /nfs/dbraw/zinc/02/07/12/584020712.db2.gz BFNLMWSRGTXNOC-NMGOYGNESA-N -1 3 247.338 3.398 20 30 BGEDHM CCOc1ccc(/C=N/[C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC000729641060 584020632 /nfs/dbraw/zinc/02/06/32/584020632.db2.gz BFNLMWSRGTXNOC-RAGYYJGWSA-N -1 3 247.338 3.398 20 30 BGEDHM CCOc1ccc(/C=N\[C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC000729641062 584020397 /nfs/dbraw/zinc/02/03/97/584020397.db2.gz BFNLMWSRGTXNOC-WTBADFPDSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCC[C@@H]1C ZINC000729641739 584020426 /nfs/dbraw/zinc/02/04/26/584020426.db2.gz VHYRWBLAKXUOQR-CVXJNZHGSA-N -1 3 233.311 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCC[C@@H]1C ZINC000729641740 584020705 /nfs/dbraw/zinc/02/07/05/584020705.db2.gz VHYRWBLAKXUOQR-DLVFKZMPSA-N -1 3 233.311 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCC[C@H]1C ZINC000729641741 584020555 /nfs/dbraw/zinc/02/05/55/584020555.db2.gz VHYRWBLAKXUOQR-KYMBZKNXSA-N -1 3 233.311 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCC[C@H]1C ZINC000729641742 584020480 /nfs/dbraw/zinc/02/04/80/584020480.db2.gz VHYRWBLAKXUOQR-VWPRCBEWSA-N -1 3 233.311 3.008 20 30 BGEDHM CC(=NNc1ccccc1)c1ccc([O-])cc1F ZINC000729931455 584030565 /nfs/dbraw/zinc/03/05/65/584030565.db2.gz GHBLZTZXIKIOOP-UHFFFAOYSA-N -1 3 244.269 3.367 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/C1CCC1 ZINC000730464533 584911305 /nfs/dbraw/zinc/91/13/05/584911305.db2.gz SOROMMHDFYVUFR-NTUHNPAUSA-N -1 3 209.676 3.017 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCC1 ZINC000730464535 584911112 /nfs/dbraw/zinc/91/11/12/584911112.db2.gz SOROMMHDFYVUFR-QPEQYQDCSA-N -1 3 209.676 3.017 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@H]1CC[C@H](C)CC1 ZINC000730951078 584920185 /nfs/dbraw/zinc/92/01/85/584920185.db2.gz KAMWMTTVAABRAY-CCHCAAHISA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@H]1CC[C@H](C)CC1 ZINC000730951079 584920235 /nfs/dbraw/zinc/92/02/35/584920235.db2.gz KAMWMTTVAABRAY-DFRHMGLISA-N -1 3 247.338 3.398 20 30 BGEDHM C[C@H]1CC[C@H](/N=C\c2ccccc2[O-])CC1 ZINC000730952491 584920108 /nfs/dbraw/zinc/92/01/08/584920108.db2.gz XSYXDYAKXJZNON-HKWUPKBASA-N -1 3 217.312 3.390 20 30 BGEDHM C[C@H]1CC[C@H](/N=C/c2ccccc2[O-])CC1 ZINC000730952492 584920126 /nfs/dbraw/zinc/92/01/26/584920126.db2.gz XSYXDYAKXJZNON-SLUXEVJSSA-N -1 3 217.312 3.390 20 30 BGEDHM COc1cccc([O-])c1/C=N/CC1(C)CCCC1 ZINC000731155712 584922821 /nfs/dbraw/zinc/92/28/21/584922821.db2.gz QOVPNRJBGPOAFO-MHWRWJLKSA-N -1 3 247.338 3.400 20 30 BGEDHM COc1cccc([O-])c1/C=N\CC1(C)CCCC1 ZINC000731155713 584922815 /nfs/dbraw/zinc/92/28/15/584922815.db2.gz QOVPNRJBGPOAFO-YBEGLDIGSA-N -1 3 247.338 3.400 20 30 BGEDHM CC1(C/N=C/c2ccccc2[O-])CCCC1 ZINC000731155812 584922818 /nfs/dbraw/zinc/92/28/18/584922818.db2.gz UKKWFEPTDUQJCP-XNTDXEJSSA-N -1 3 217.312 3.391 20 30 BGEDHM N#CCCN(Cc1ccccc1[O-])C1CCCC1 ZINC000731848129 584929427 /nfs/dbraw/zinc/92/94/27/584929427.db2.gz TUZJDSSLPPXWNG-UHFFFAOYSA-N -1 3 244.338 3.050 20 30 BGEDHM CCC(CC)NN=C(C)c1cc(F)ccc1[O-] ZINC000734365017 643496932 /nfs/dbraw/zinc/49/69/32/643496932.db2.gz PJTREOMHMXYXFY-UHFFFAOYSA-N -1 3 238.306 3.034 20 30 BGEDHM CCC(CC)NN=C(C)c1ccc([O-])c(F)c1 ZINC000734365329 643497141 /nfs/dbraw/zinc/49/71/41/643497141.db2.gz WOMWTMHCZOSWAJ-UHFFFAOYSA-N -1 3 238.306 3.034 20 30 BGEDHM CCC(CC)NN=C(C)c1ccc(C)cc1[O-] ZINC000734366352 584961054 /nfs/dbraw/zinc/96/10/54/584961054.db2.gz OHQRCWXBIIXXHS-UHFFFAOYSA-N -1 3 234.343 3.203 20 30 BGEDHM CCC(CC)NN=C(C)c1ccc([O-])cc1F ZINC000734366456 584961115 /nfs/dbraw/zinc/96/11/15/584961115.db2.gz SGYDPFFLTPEHBB-UHFFFAOYSA-N -1 3 238.306 3.034 20 30 BGEDHM Cc1cc(C(=O)/C=C\c2nccs2)ccc1[O-] ZINC000735233031 584974050 /nfs/dbraw/zinc/97/40/50/584974050.db2.gz YHXFPRLEMUEDRK-PLNGDYQASA-N -1 3 245.303 3.053 20 30 BGEDHM Cc1cc(C(=O)/C=C/c2nccs2)ccc1[O-] ZINC000735233032 584973996 /nfs/dbraw/zinc/97/39/96/584973996.db2.gz YHXFPRLEMUEDRK-SNAWJCMRSA-N -1 3 245.303 3.053 20 30 BGEDHM C=CCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000735527543 643547664 /nfs/dbraw/zinc/54/76/64/643547664.db2.gz IOWSTOKXTHJLEO-UHFFFAOYSA-N -1 3 248.109 3.445 20 30 BGEDHM CCOc1ccc(/C=N/[C@@H]2CC=CCC2)c([O-])c1 ZINC000735979057 584985889 /nfs/dbraw/zinc/98/58/89/584985889.db2.gz WCALRNSIDBMQLG-KWWJGWKXSA-N -1 3 245.322 3.319 20 30 BGEDHM CCOc1ccc(/C=N\[C@H]2CC=CCC2)c([O-])c1 ZINC000735979058 584985833 /nfs/dbraw/zinc/98/58/33/584985833.db2.gz WCALRNSIDBMQLG-RERGGYADSA-N -1 3 245.322 3.319 20 30 BGEDHM CCOc1ccc(/C=N/[C@H]2CC=CCC2)c([O-])c1 ZINC000735979059 584985798 /nfs/dbraw/zinc/98/57/98/584985798.db2.gz WCALRNSIDBMQLG-XDUBLRSXSA-N -1 3 245.322 3.319 20 30 BGEDHM CCOc1ccc(/C=N\[C@@H]2CC=CCC2)c([O-])c1 ZINC000735979060 584985864 /nfs/dbraw/zinc/98/58/64/584985864.db2.gz WCALRNSIDBMQLG-YYTPVVGHSA-N -1 3 245.322 3.319 20 30 BGEDHM CC[C@H](/N=C\c1ccccc1[O-])c1nccs1 ZINC000737445023 585032418 /nfs/dbraw/zinc/03/24/18/585032418.db2.gz WTZQNYPJAGMKSO-GPILYODUSA-N -1 3 246.335 3.419 20 30 BGEDHM CC[C@@H](/N=C\c1ccccc1[O-])c1nccs1 ZINC000737445027 585032361 /nfs/dbraw/zinc/03/23/61/585032361.db2.gz WTZQNYPJAGMKSO-PDICVPPASA-N -1 3 246.335 3.419 20 30 BGEDHM CC(C)[C@@H](C)C/N=C/c1ccccc1[O-] ZINC000739425515 585064613 /nfs/dbraw/zinc/06/46/13/585064613.db2.gz FQXCFQFONLKDBQ-LUHPIMIVSA-N -1 3 205.301 3.103 20 30 BGEDHM CC(C)[C@H](C)C/N=C\c1ccccc1[O-] ZINC000739425517 585064743 /nfs/dbraw/zinc/06/47/43/585064743.db2.gz FQXCFQFONLKDBQ-RLIURORJSA-N -1 3 205.301 3.103 20 30 BGEDHM CC(C)[C@H](C)C/N=C/c1ccccc1[O-] ZINC000739425519 585064789 /nfs/dbraw/zinc/06/47/89/585064789.db2.gz FQXCFQFONLKDBQ-ZECSTPGPSA-N -1 3 205.301 3.103 20 30 BGEDHM C=CCCCO[N-]C(=O)CCC1CCCCC1 ZINC000740872406 585107640 /nfs/dbraw/zinc/10/76/40/585107640.db2.gz SWSBQQNXVARQSZ-UHFFFAOYSA-N -1 3 239.359 3.361 20 30 BGEDHM CC[C@H](/N=C\c1ccccc1[O-])c1ccncc1 ZINC000741466008 585114285 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/nfs/dbraw/zinc/13/36/98/585133698.db2.gz LISKXKUWYPHUNH-CXUHLZMHSA-N -1 3 229.323 3.247 20 30 BGEDHM [O-]c1ccccc1/C=N\CC(C1CC1)C1CC1 ZINC000743044548 585133573 /nfs/dbraw/zinc/13/35/73/585133573.db2.gz LISKXKUWYPHUNH-SXGWCWSVSA-N -1 3 229.323 3.247 20 30 BGEDHM [O-]c1ccccc1C=NNc1cccc(F)c1F ZINC000743442723 585137012 /nfs/dbraw/zinc/13/70/12/585137012.db2.gz DLODETMWRQFFIH-UHFFFAOYSA-N -1 3 248.232 3.116 20 30 BGEDHM Cn1cccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000743501971 585137838 /nfs/dbraw/zinc/13/78/38/585137838.db2.gz UOJBWTGLNYBJRX-OVCLIPMQSA-N -1 3 248.713 3.003 20 30 BGEDHM C=C(C)CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000744302975 582895034 /nfs/dbraw/zinc/89/50/34/582895034.db2.gz KBGVOKMIWJQCGH-UHFFFAOYSA-N -1 3 248.109 3.445 20 30 BGEDHM C=C(C)CCOC(=O)c1cc2ccsc2[n-]1 ZINC000744303845 585147675 /nfs/dbraw/zinc/14/76/75/585147675.db2.gz ADCSVOLRDPCWEB-UHFFFAOYSA-N -1 3 235.308 3.352 20 30 BGEDHM Cc1c(F)cccc1N=Cc1cccc([O-])c1O ZINC000745975851 585162307 /nfs/dbraw/zinc/16/23/07/585162307.db2.gz BXQKLLSIPHOAIB-UHFFFAOYSA-N -1 3 245.253 3.296 20 30 BGEDHM CC[C@H](/N=C\c1ccccc1[O-])C1CCOCC1 ZINC000746393241 585167885 /nfs/dbraw/zinc/16/78/85/585167885.db2.gz IRVCCGVSWBLYLC-HNDQUVLASA-N -1 3 247.338 3.016 20 30 BGEDHM CC[C@@H](/N=C\c1ccccc1[O-])C1CCOCC1 ZINC000746393243 585167850 /nfs/dbraw/zinc/16/78/50/585167850.db2.gz IRVCCGVSWBLYLC-VQCBNXJZSA-N -1 3 247.338 3.016 20 30 BGEDHM Cc1cscc1N=Cc1cccc([O-])c1O ZINC000747690447 585182531 /nfs/dbraw/zinc/18/25/31/585182531.db2.gz KPUPEIFBHNJQJW-UHFFFAOYSA-N -1 3 233.292 3.218 20 30 BGEDHM Cn1ccc(C/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000748285518 585190239 /nfs/dbraw/zinc/19/02/39/585190239.db2.gz KJGWUOMYHNCRGX-NVNXTCNLSA-N -1 3 248.713 3.003 20 30 BGEDHM Cn1ccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000748285524 585190187 /nfs/dbraw/zinc/19/01/87/585190187.db2.gz KJGWUOMYHNCRGX-OVCLIPMQSA-N -1 3 248.713 3.003 20 30 BGEDHM Cc1cccc(CC/N=C/c2ccccc2[O-])c1 ZINC000749104558 585199431 /nfs/dbraw/zinc/19/94/31/585199431.db2.gz MYNNZOZGXDWGDQ-SFQUDFHCSA-N -1 3 239.318 3.362 20 30 BGEDHM CC(C)=CCCC(C)N=Nc1nc(C)cc(=O)[n-]1 ZINC000749157367 585199908 /nfs/dbraw/zinc/19/99/08/585199908.db2.gz GAICRFOLELWHHU-UHFFFAOYSA-N -1 3 248.330 3.025 20 30 BGEDHM CON=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000749443298 585202479 /nfs/dbraw/zinc/20/24/79/585202479.db2.gz DCUFRQIRYDMKBE-UHFFFAOYSA-N -1 3 227.263 3.040 20 30 BGEDHM CCON=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000749444244 585202406 /nfs/dbraw/zinc/20/24/06/585202406.db2.gz PJKLKQJDFBZQNU-UHFFFAOYSA-N -1 3 241.290 3.430 20 30 BGEDHM CCC(=NOCC(C)C)c1ccc([O-])cc1 ZINC000749625491 585204644 /nfs/dbraw/zinc/20/46/44/585204644.db2.gz CHFIWQMGOWMZIF-UHFFFAOYSA-N -1 3 221.300 3.179 20 30 BGEDHM CC(C)CON=Cc1cc(Cl)ccc1[O-] ZINC000749630902 585204464 /nfs/dbraw/zinc/20/44/64/585204464.db2.gz CFQPWHACAACWLO-UHFFFAOYSA-N -1 3 227.691 3.052 20 30 BGEDHM CC(=NOCC(C)C)c1ccc(C)cc1[O-] ZINC000749632080 583596370 /nfs/dbraw/zinc/59/63/70/583596370.db2.gz VBNCKQALUHYABQ-UHFFFAOYSA-N -1 3 221.300 3.097 20 30 BGEDHM CC(=NOCC(C)C)c1cc(Cl)ccc1[O-] ZINC000749636348 585204751 /nfs/dbraw/zinc/20/47/51/585204751.db2.gz FRCMVBBTCIYPSJ-UHFFFAOYSA-N -1 3 241.718 3.442 20 30 BGEDHM CC(=NOCC(C)C)c1cc(C)ccc1[O-] ZINC000749636350 585204851 /nfs/dbraw/zinc/20/48/51/585204851.db2.gz FTAJWCAKFQLODT-UHFFFAOYSA-N -1 3 221.300 3.097 20 30 BGEDHM C[C@@H](C/N=C/c1ccccc1[O-])c1ccncc1 ZINC000749846206 585207365 /nfs/dbraw/zinc/20/73/65/585207365.db2.gz VFOHKWQIGSJDKI-OOIIIRTPSA-N -1 3 240.306 3.010 20 30 BGEDHM C[C@H](C/N=C/c1ccccc1[O-])c1ccncc1 ZINC000749846207 585207404 /nfs/dbraw/zinc/20/74/04/585207404.db2.gz VFOHKWQIGSJDKI-PBSOMRJOSA-N -1 3 240.306 3.010 20 30 BGEDHM C[C@@H](C/N=C\c1ccccc1[O-])c1ccncc1 ZINC000749846208 585207415 /nfs/dbraw/zinc/20/74/15/585207415.db2.gz VFOHKWQIGSJDKI-UEMWTREESA-N -1 3 240.306 3.010 20 30 BGEDHM Cc1cnc([C@@H](C)/N=C\c2ccccc2[O-])s1 ZINC000749929258 585208664 /nfs/dbraw/zinc/20/86/64/585208664.db2.gz AWVGVBMBIHQAEK-DOQDJBIESA-N -1 3 246.335 3.337 20 30 BGEDHM Cc1cnc([C@H](C)/N=C\c2ccccc2[O-])s1 ZINC000749929259 585208685 /nfs/dbraw/zinc/20/86/85/585208685.db2.gz AWVGVBMBIHQAEK-WULZRQGASA-N -1 3 246.335 3.337 20 30 BGEDHM COC1CCC(C/N=C/c2ccccc2[O-])CC1 ZINC000749930602 585208651 /nfs/dbraw/zinc/20/86/51/585208651.db2.gz KVVCDEMDSLIKRD-LFIBNONCSA-N -1 3 247.338 3.016 20 30 BGEDHM CC1(C)CCC[C@@H]1/N=C/c1ccccc1[O-] ZINC000749932005 585208576 /nfs/dbraw/zinc/20/85/76/585208576.db2.gz YUHVHSFAUDTQRJ-LERPTODRSA-N -1 3 217.312 3.390 20 30 BGEDHM CC1(C)CCC[C@H]1/N=C\c1ccccc1[O-] ZINC000749932006 585208513 /nfs/dbraw/zinc/20/85/13/585208513.db2.gz YUHVHSFAUDTQRJ-NWFCWYBLSA-N -1 3 217.312 3.390 20 30 BGEDHM CC1(C)CCC[C@@H]1/N=C\c1ccccc1[O-] ZINC000749932007 585208424 /nfs/dbraw/zinc/20/84/24/585208424.db2.gz YUHVHSFAUDTQRJ-OJNRTJSBSA-N -1 3 217.312 3.390 20 30 BGEDHM CC1(C)CCC[C@H]1/N=C/c1ccccc1[O-] ZINC000749932008 585208595 /nfs/dbraw/zinc/20/85/95/585208595.db2.gz YUHVHSFAUDTQRJ-QQFZQELXSA-N -1 3 217.312 3.390 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCCC1(C)C ZINC000749932051 585208628 /nfs/dbraw/zinc/20/86/28/585208628.db2.gz ZGQMJLFCFBNVOV-DWKHYPNZSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@H]1CCCC1(C)C ZINC000749932053 585208485 /nfs/dbraw/zinc/20/84/85/585208485.db2.gz ZGQMJLFCFBNVOV-FBKCMUNRSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@H]1CCCC1(C)C ZINC000749932054 583621412 /nfs/dbraw/zinc/62/14/12/583621412.db2.gz ZGQMJLFCFBNVOV-KNGSKEOJSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCCC1(C)C ZINC000749932081 583621213 /nfs/dbraw/zinc/62/12/13/583621213.db2.gz ZGQMJLFCFBNVOV-KWZJRMENSA-N -1 3 247.338 3.398 20 30 BGEDHM [O-]c1ccccc1/C=N/CC1(C2CC2)CCC1 ZINC000751521817 585231742 /nfs/dbraw/zinc/23/17/42/585231742.db2.gz BMDFWIGQQPCUQC-MHWRWJLKSA-N -1 3 229.323 3.391 20 30 BGEDHM COc1cccc([O-])c1/C=N/CC1(C2CC2)CC1 ZINC000751523548 585231598 /nfs/dbraw/zinc/23/15/98/585231598.db2.gz NXJFCYZKCIJHBD-CXUHLZMHSA-N -1 3 245.322 3.010 20 30 BGEDHM COc1cccc([O-])c1/C=N\CC1(C2CC2)CC1 ZINC000751523551 583914063 /nfs/dbraw/zinc/91/40/63/583914063.db2.gz NXJFCYZKCIJHBD-SXGWCWSVSA-N -1 3 245.322 3.010 20 30 BGEDHM COc1cccc([O-])c1/C=N\CC1(C)CCC1 ZINC000751890122 585238184 /nfs/dbraw/zinc/23/81/84/585238184.db2.gz KLMMQXNZUKKMPH-DHDCSXOGSA-N -1 3 233.311 3.010 20 30 BGEDHM COc1cccc([O-])c1/C=N/CC1(C)CCC1 ZINC000751890124 585238401 /nfs/dbraw/zinc/23/84/01/585238401.db2.gz KLMMQXNZUKKMPH-OQLLNIDSSA-N -1 3 233.311 3.010 20 30 BGEDHM CCOc1ccc(/C=N\C2CC(C)C2)c([O-])c1 ZINC000751890143 585238214 /nfs/dbraw/zinc/23/82/14/585238214.db2.gz KONYSHUIGHHSGF-DHDCSXOGSA-N -1 3 233.311 3.008 20 30 BGEDHM CCOc1ccc(/C=N/C2CC(C)C2)c([O-])c1 ZINC000751890145 585238380 /nfs/dbraw/zinc/23/83/80/585238380.db2.gz KONYSHUIGHHSGF-OQLLNIDSSA-N -1 3 233.311 3.008 20 30 BGEDHM CC1CC(/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000751891173 585238585 /nfs/dbraw/zinc/23/85/85/585238585.db2.gz VKBDPKAIPADSOO-AUWJEWJLSA-N -1 3 223.703 3.263 20 30 BGEDHM CC1CC(/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000751891174 585238462 /nfs/dbraw/zinc/23/84/62/585238462.db2.gz VKBDPKAIPADSOO-VGOFMYFVSA-N -1 3 223.703 3.263 20 30 BGEDHM CCC1(C/N=C\c2c([O-])cccc2OC)CC1 ZINC000751891178 585238615 /nfs/dbraw/zinc/23/86/15/585238615.db2.gz VOMNGEQRMBTLCJ-DHDCSXOGSA-N -1 3 233.311 3.010 20 30 BGEDHM CCC1(C/N=C/c2c([O-])cccc2OC)CC1 ZINC000751891179 585238470 /nfs/dbraw/zinc/23/84/70/585238470.db2.gz VOMNGEQRMBTLCJ-OQLLNIDSSA-N -1 3 233.311 3.010 20 30 BGEDHM CCCC[C@@H](CC)COC(=O)c1ccc(C#N)[n-]1 ZINC000752477400 585246620 /nfs/dbraw/zinc/24/66/20/585246620.db2.gz CFXRTXVJWKNWQR-LLVKDONJSA-N -1 3 248.326 3.260 20 30 BGEDHM CCCC[C@H](CC)COC(=O)c1ccc(C#N)[n-]1 ZINC000752477404 585246673 /nfs/dbraw/zinc/24/66/73/585246673.db2.gz CFXRTXVJWKNWQR-NSHDSACASA-N -1 3 248.326 3.260 20 30 BGEDHM CCCCCC[C@@H](C)OC(=O)c1ccc(C#N)[n-]1 ZINC000752483772 585246748 /nfs/dbraw/zinc/24/67/48/585246748.db2.gz OYXYSHRGZVGOAG-LLVKDONJSA-N -1 3 248.326 3.402 20 30 BGEDHM CCCCCC[C@H](C)OC(=O)c1ccc(C#N)[n-]1 ZINC000752483773 585246722 /nfs/dbraw/zinc/24/67/22/585246722.db2.gz OYXYSHRGZVGOAG-NSHDSACASA-N -1 3 248.326 3.402 20 30 BGEDHM N#Cc1ccc(C(=O)OCCC2CCCCC2)[n-]1 ZINC000752503149 585246952 /nfs/dbraw/zinc/24/69/52/585246952.db2.gz IJULFVWHYSXKKA-UHFFFAOYSA-N -1 3 246.310 3.014 20 30 BGEDHM CC1(COC(=O)c2ccc(C#N)[n-]2)CCCCC1 ZINC000752518508 585247549 /nfs/dbraw/zinc/24/75/49/585247549.db2.gz VUKDDKRYZBSXOK-UHFFFAOYSA-N -1 3 246.310 3.014 20 30 BGEDHM COc1cccc([O-])c1/C=N/CCC1=CCCC1 ZINC000753637151 585265521 /nfs/dbraw/zinc/26/55/21/585265521.db2.gz CYEREALYJNTWND-LFIBNONCSA-N -1 3 245.322 3.320 20 30 BGEDHM COc1cccc([O-])c1/C=N\CCC1=CCCC1 ZINC000753637156 585265305 /nfs/dbraw/zinc/26/53/05/585265305.db2.gz CYEREALYJNTWND-WJDWOHSUSA-N -1 3 245.322 3.320 20 30 BGEDHM [O-]c1ccccc1/C=N\CCC1=CCCC1 ZINC000753639061 585265419 /nfs/dbraw/zinc/26/54/19/585265419.db2.gz RZOQBMXCNZYBJL-PTNGSMBKSA-N -1 3 215.296 3.312 20 30 BGEDHM [O-]c1ccccc1/C=N/CCC1=CCCC1 ZINC000753639064 585265465 /nfs/dbraw/zinc/26/54/65/585265465.db2.gz RZOQBMXCNZYBJL-RVDMUPIBSA-N -1 3 215.296 3.312 20 30 BGEDHM [O-]c1ccccc1/C=N\CCC1CCC1 ZINC000755031725 585292796 /nfs/dbraw/zinc/29/27/96/585292796.db2.gz MVGJWZTUKKFAQK-UVTDQMKNSA-N -1 3 203.285 3.001 20 30 BGEDHM COc1cccc([O-])c1/C=N\CCC1CCC1 ZINC000755032606 585293433 /nfs/dbraw/zinc/29/34/33/585293433.db2.gz ZEXQUOPUTAKUDE-GDNBJRDFSA-N -1 3 233.311 3.010 20 30 BGEDHM COc1cccc([O-])c1/C=N/CCC1CCC1 ZINC000755032607 585293651 /nfs/dbraw/zinc/29/36/51/585293651.db2.gz ZEXQUOPUTAKUDE-XNTDXEJSSA-N -1 3 233.311 3.010 20 30 BGEDHM [O-]c1cccc(Cl)c1C=NNc1ccccc1 ZINC000755461170 585300107 /nfs/dbraw/zinc/30/01/07/585300107.db2.gz ARRLLNWAKKTLLE-UHFFFAOYSA-N -1 3 246.697 3.492 20 30 BGEDHM Cc1cccc(NN=Cc2ccc([O-])c(F)c2)c1 ZINC000755465938 585300232 /nfs/dbraw/zinc/30/02/32/585300232.db2.gz UMFBTESXMLYOPV-UHFFFAOYSA-N -1 3 244.269 3.286 20 30 BGEDHM Cc1ccc(NN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755466119 585300178 /nfs/dbraw/zinc/30/01/78/585300178.db2.gz VHPGKNQAMWATKT-UHFFFAOYSA-N -1 3 244.269 3.286 20 30 BGEDHM [O-]c1ccc(C=NNc2ccc(F)cc2)cc1F ZINC000755472525 585300351 /nfs/dbraw/zinc/30/03/51/585300351.db2.gz VZKAWMGBZHLNCM-UHFFFAOYSA-N -1 3 248.232 3.116 20 30 BGEDHM [O-]c1ccc(C=NNc2ccccc2F)cc1F ZINC000755627620 585302610 /nfs/dbraw/zinc/30/26/10/585302610.db2.gz BTCPFACEQGVGEU-UHFFFAOYSA-N -1 3 248.232 3.116 20 30 BGEDHM [O-]c1ccc(F)cc1C=NOCc1ccccc1 ZINC000755630847 585302777 /nfs/dbraw/zinc/30/27/77/585302777.db2.gz AILVYVBKXPQETL-UHFFFAOYSA-N -1 3 245.253 3.082 20 30 BGEDHM Cc1ccc([O-])c(C=NOCc2ccccc2)c1 ZINC000755632997 585302904 /nfs/dbraw/zinc/30/29/04/585302904.db2.gz STVMQORILZVDLN-UHFFFAOYSA-N -1 3 241.290 3.251 20 30 BGEDHM [O-]c1ccc(C=NNc2cccc(F)c2)cc1F ZINC000755663279 585303750 /nfs/dbraw/zinc/30/37/50/585303750.db2.gz UZMRZZKPWJVDNM-UHFFFAOYSA-N -1 3 248.232 3.116 20 30 BGEDHM CCC(CC)NN=Cc1c([O-])cccc1Cl ZINC000755729756 585304947 /nfs/dbraw/zinc/30/49/47/585304947.db2.gz FDBRVFPFFHCBPZ-UHFFFAOYSA-N -1 3 240.734 3.158 20 30 BGEDHM C=C(C)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000755991889 585312109 /nfs/dbraw/zinc/31/21/09/585312109.db2.gz KFWRQRNWXHEEKR-MRVPVSSYSA-N -1 3 235.308 3.351 20 30 BGEDHM C=C(C)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000755991890 585312156 /nfs/dbraw/zinc/31/21/56/585312156.db2.gz KFWRQRNWXHEEKR-QMMMGPOBSA-N -1 3 235.308 3.351 20 30 BGEDHM CC[C@@H]1CCC[C@@H]1/N=C/c1ccccc1[O-] ZINC000756774398 585322784 /nfs/dbraw/zinc/32/27/84/585322784.db2.gz IAMSLTGDVOLDAQ-KURUJGOKSA-N -1 3 217.312 3.390 20 30 BGEDHM CC[C@@H]1CCC[C@H]1/N=C\c1ccccc1[O-] ZINC000756774401 585322840 /nfs/dbraw/zinc/32/28/40/585322840.db2.gz IAMSLTGDVOLDAQ-LOWOIUNESA-N -1 3 217.312 3.390 20 30 BGEDHM CC[C@@H]1CCC[C@@H]1/N=C\c1ccccc1[O-] ZINC000756774403 585322886 /nfs/dbraw/zinc/32/28/86/585322886.db2.gz IAMSLTGDVOLDAQ-UQZAJDFTSA-N -1 3 217.312 3.390 20 30 BGEDHM CC[C@@H]1CCC[C@H]1/N=C/c1ccccc1[O-] ZINC000756774406 585322843 /nfs/dbraw/zinc/32/28/43/585322843.db2.gz IAMSLTGDVOLDAQ-ZQVVPGSTSA-N -1 3 217.312 3.390 20 30 BGEDHM CC(=NNC1CC1)c1ccc2ccccc2c1[O-] ZINC000758132247 585350223 /nfs/dbraw/zinc/35/02/23/585350223.db2.gz CMPNITWLWPCJEH-UHFFFAOYSA-N -1 3 240.306 3.021 20 30 BGEDHM [O-]c1ccccc1C=NOCc1ccc(F)cc1 ZINC000758143049 585350560 /nfs/dbraw/zinc/35/05/60/585350560.db2.gz ONLRGBPZSXYDEY-UHFFFAOYSA-N -1 3 245.253 3.082 20 30 BGEDHM C#CCCCC/N=C/c1ccc(OCC)cc1[O-] ZINC000758359647 585354543 /nfs/dbraw/zinc/35/45/43/585354543.db2.gz QEBJSKZKGFGEIG-FOWTUZBSSA-N -1 3 245.322 3.013 20 30 BGEDHM CC(=NOCC(F)F)c1cc(Cl)ccc1[O-] ZINC000758904886 585362425 /nfs/dbraw/zinc/36/24/25/585362425.db2.gz UMKJXEWEXYOTKZ-UHFFFAOYSA-N -1 3 249.644 3.051 20 30 BGEDHM CCCCCCCCC(=O)[N-]OCC(F)F ZINC000759333867 585368194 /nfs/dbraw/zinc/36/81/94/585368194.db2.gz FOAGXJPCSKMEGZ-UHFFFAOYSA-N -1 3 237.290 3.050 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\C1CC=CC1 ZINC000759641648 585377784 /nfs/dbraw/zinc/37/77/84/585377784.db2.gz DTMODHXJXLPUJH-ZSOIEALJSA-N -1 3 221.687 3.183 20 30 BGEDHM CCCC1(C/N=C\c2ccccc2[O-])CC1 ZINC000759641680 585377700 /nfs/dbraw/zinc/37/77/00/585377700.db2.gz FVHVREUPWFFXNG-GDNBJRDFSA-N -1 3 217.312 3.391 20 30 BGEDHM CCCC1(C/N=C/c2ccccc2[O-])CC1 ZINC000759641682 585377868 /nfs/dbraw/zinc/37/78/68/585377868.db2.gz FVHVREUPWFFXNG-XNTDXEJSSA-N -1 3 217.312 3.391 20 30 BGEDHM CCC(C)(C)C/N=C/c1ccccc1[O-] ZINC000760982019 585403110 /nfs/dbraw/zinc/40/31/10/585403110.db2.gz TWCVMAYTVJGZSJ-NTEUORMPSA-N -1 3 205.301 3.247 20 30 BGEDHM CCC(C)(C)C/N=C\c1ccccc1[O-] ZINC000760982021 585402890 /nfs/dbraw/zinc/40/28/90/585402890.db2.gz TWCVMAYTVJGZSJ-ZROIWOOFSA-N -1 3 205.301 3.247 20 30 BGEDHM CCC(C)(C)C/N=C\c1c([O-])cccc1OC ZINC000760982692 585402991 /nfs/dbraw/zinc/40/29/91/585402991.db2.gz VKUSJXQFXLVQFK-DHDCSXOGSA-N -1 3 235.327 3.256 20 30 BGEDHM CCC(C)(C)C/N=C/c1c([O-])cccc1OC ZINC000760982693 585403075 /nfs/dbraw/zinc/40/30/75/585403075.db2.gz VKUSJXQFXLVQFK-OQLLNIDSSA-N -1 3 235.327 3.256 20 30 BGEDHM [O-]c1ccccc1/C=N/[C@H]1CC12CCCC2 ZINC000760990668 585403285 /nfs/dbraw/zinc/40/32/85/585403285.db2.gz RDTRDPRZENOAJX-LERPTODRSA-N -1 3 215.296 3.144 20 30 BGEDHM [O-]c1ccccc1/C=N\[C@@H]1CC12CCCC2 ZINC000760990759 585403254 /nfs/dbraw/zinc/40/32/54/585403254.db2.gz RDTRDPRZENOAJX-NWFCWYBLSA-N -1 3 215.296 3.144 20 30 BGEDHM [O-]c1ccccc1/C=N\[C@H]1CC12CCCC2 ZINC000760990761 585403277 /nfs/dbraw/zinc/40/32/77/585403277.db2.gz RDTRDPRZENOAJX-OJNRTJSBSA-N -1 3 215.296 3.144 20 30 BGEDHM [O-]c1ccccc1/C=N/[C@@H]1CC12CCCC2 ZINC000760990763 585403145 /nfs/dbraw/zinc/40/31/45/585403145.db2.gz RDTRDPRZENOAJX-QQFZQELXSA-N -1 3 215.296 3.144 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CC12CCCC2 ZINC000760991139 585403176 /nfs/dbraw/zinc/40/31/76/585403176.db2.gz VIAIEFOSQVNZLW-DWKHYPNZSA-N -1 3 245.322 3.152 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@H]1CC12CCCC2 ZINC000760991140 585403204 /nfs/dbraw/zinc/40/32/04/585403204.db2.gz VIAIEFOSQVNZLW-FBKCMUNRSA-N -1 3 245.322 3.152 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@H]1CC12CCCC2 ZINC000760991142 585403250 /nfs/dbraw/zinc/40/32/50/585403250.db2.gz VIAIEFOSQVNZLW-KNGSKEOJSA-N -1 3 245.322 3.152 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CC12CCCC2 ZINC000760991144 585403315 /nfs/dbraw/zinc/40/33/15/585403315.db2.gz VIAIEFOSQVNZLW-KWZJRMENSA-N -1 3 245.322 3.152 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/C1CC(F)(F)C1 ZINC000760991427 585403257 /nfs/dbraw/zinc/40/32/57/585403257.db2.gz XSDGWHHMATYENF-GIDUJCDVSA-N -1 3 245.656 3.262 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\C1CC(F)(F)C1 ZINC000760991431 585403149 /nfs/dbraw/zinc/40/31/49/585403149.db2.gz XSDGWHHMATYENF-UUASQNMZSA-N -1 3 245.656 3.262 20 30 BGEDHM [O-]c1ccccc1/C=N/C1CCC(F)(F)CC1 ZINC000761182892 585411903 /nfs/dbraw/zinc/41/19/03/585411903.db2.gz VDPDTONJDWSTSC-CXUHLZMHSA-N -1 3 239.265 3.389 20 30 BGEDHM [O-]c1ccccc1/C=N\C1CCC(F)(F)CC1 ZINC000761182894 585411862 /nfs/dbraw/zinc/41/18/62/585411862.db2.gz VDPDTONJDWSTSC-SXGWCWSVSA-N -1 3 239.265 3.389 20 30 BGEDHM CCC(=NOCC(F)(F)F)c1ccc([O-])cc1 ZINC000764836213 585475318 /nfs/dbraw/zinc/47/53/18/585475318.db2.gz RHASRVVBPUNNQT-UHFFFAOYSA-N -1 3 247.216 3.085 20 30 BGEDHM CC(=NOCC(F)(F)F)c1cc(C)ccc1[O-] ZINC000764836245 585475214 /nfs/dbraw/zinc/47/52/14/585475214.db2.gz ROHYRLIMCHBBIC-UHFFFAOYSA-N -1 3 247.216 3.004 20 30 BGEDHM CC(=NOCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000764846808 585476027 /nfs/dbraw/zinc/47/60/27/585476027.db2.gz PURYWMCQJZCGEQ-UHFFFAOYSA-N -1 3 247.216 3.004 20 30 BGEDHM C=CCCC[C@@H](C)OC(=O)c1ccc([O-])cc1 ZINC000765391846 585485335 /nfs/dbraw/zinc/48/53/35/585485335.db2.gz HVHKZRIWWRCIAU-LLVKDONJSA-N -1 3 234.295 3.294 20 30 BGEDHM C=CCCC[C@H](C)OC(=O)c1ccc([O-])cc1 ZINC000765391853 585485480 /nfs/dbraw/zinc/48/54/80/585485480.db2.gz HVHKZRIWWRCIAU-NSHDSACASA-N -1 3 234.295 3.294 20 30 BGEDHM C=CCCC[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000765474428 585487516 /nfs/dbraw/zinc/48/75/16/585487516.db2.gz UXFDGAQGGUNASC-SECBINFHSA-N -1 3 240.324 3.355 20 30 BGEDHM C=CCCC[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000765474431 585487491 /nfs/dbraw/zinc/48/74/91/585487491.db2.gz UXFDGAQGGUNASC-VIFPVBQESA-N -1 3 240.324 3.355 20 30 BGEDHM CCON=C(C)c1ccc2ccccc2c1[O-] ZINC000767465412 585520641 /nfs/dbraw/zinc/52/06/41/585520641.db2.gz ZYWRKVVSMXEMJP-UHFFFAOYSA-N -1 3 229.279 3.306 20 30 BGEDHM [O-]c1ccccc1/C=N/[C@@H]1CCCC(F)(F)C1 ZINC000767689787 585524822 /nfs/dbraw/zinc/52/48/22/585524822.db2.gz PCEWRZSYAGJFCB-LKBVRNOZSA-N -1 3 239.265 3.389 20 30 BGEDHM [O-]c1ccccc1/C=N\[C@H]1CCCC(F)(F)C1 ZINC000767689789 585524727 /nfs/dbraw/zinc/52/47/27/585524727.db2.gz PCEWRZSYAGJFCB-RCEBRVLHSA-N -1 3 239.265 3.389 20 30 BGEDHM [O-]c1ccccc1/C=N/[C@H]1CCCC(F)(F)C1 ZINC000767689791 585524798 /nfs/dbraw/zinc/52/47/98/585524798.db2.gz PCEWRZSYAGJFCB-UJFYRASASA-N -1 3 239.265 3.389 20 30 BGEDHM [O-]c1ccccc1/C=N\[C@@H]1CCCC(F)(F)C1 ZINC000767689793 585524924 /nfs/dbraw/zinc/52/49/24/585524924.db2.gz PCEWRZSYAGJFCB-WIWNTQSISA-N -1 3 239.265 3.389 20 30 BGEDHM Cc1cc(C(=O)/C=C/c2cncs2)ccc1[O-] ZINC000767728326 585525604 /nfs/dbraw/zinc/52/56/04/585525604.db2.gz FWJCXRNGKZHZKP-HWKANZROSA-N -1 3 245.303 3.053 20 30 BGEDHM Cc1cc(C(=O)/C=C\c2cncs2)ccc1[O-] ZINC000767728328 585525508 /nfs/dbraw/zinc/52/55/08/585525508.db2.gz FWJCXRNGKZHZKP-HYXAFXHYSA-N -1 3 245.303 3.053 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCC(C)(C)C1 ZINC000768267518 585535291 /nfs/dbraw/zinc/53/52/91/585535291.db2.gz ALOAQCPHFSIZMX-FFCYNSPCSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCC(C)(C)C1 ZINC000768267520 585535143 /nfs/dbraw/zinc/53/51/43/585535143.db2.gz ALOAQCPHFSIZMX-HPUUJOOBSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@H]1CCC(C)(C)C1 ZINC000768267523 585535174 /nfs/dbraw/zinc/53/51/74/585535174.db2.gz ALOAQCPHFSIZMX-OKHBPPCESA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@H]1CCC(C)(C)C1 ZINC000768267525 585535312 /nfs/dbraw/zinc/53/53/12/585535312.db2.gz ALOAQCPHFSIZMX-YAFRSCOQSA-N -1 3 247.338 3.398 20 30 BGEDHM CC1(C)CC[C@@H](/N=C\c2ccccc2[O-])C1 ZINC000768270365 585535240 /nfs/dbraw/zinc/53/52/40/585535240.db2.gz ZCLBDVNCUXIPTO-DYTQJMLRSA-N -1 3 217.312 3.390 20 30 BGEDHM CC1(C)CC[C@H](/N=C\c2ccccc2[O-])C1 ZINC000768270366 585535059 /nfs/dbraw/zinc/53/50/59/585535059.db2.gz ZCLBDVNCUXIPTO-GQVHDAKQSA-N -1 3 217.312 3.390 20 30 BGEDHM CC1(C)CC[C@@H](/N=C/c2ccccc2[O-])C1 ZINC000768270368 585535198 /nfs/dbraw/zinc/53/51/98/585535198.db2.gz ZCLBDVNCUXIPTO-JXCQQFQQSA-N -1 3 217.312 3.390 20 30 BGEDHM CC1(C)CC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000768270370 585535222 /nfs/dbraw/zinc/53/52/22/585535222.db2.gz ZCLBDVNCUXIPTO-XBUHWIKASA-N -1 3 217.312 3.390 20 30 BGEDHM C=CCN(Cc1c([O-])cccc1Cl)C(C)C ZINC000768547828 585540119 /nfs/dbraw/zinc/54/01/19/585540119.db2.gz QXQDWLVZNCKHRN-UHFFFAOYSA-N -1 3 239.746 3.442 20 30 BGEDHM C=C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769339501 585554616 /nfs/dbraw/zinc/55/46/16/585554616.db2.gz QLTFSTNLTIPIET-UHFFFAOYSA-N -1 3 237.730 3.198 20 30 BGEDHM COc1cccc(N=Cc2ccccc2[O-])c1F ZINC000769718104 585562683 /nfs/dbraw/zinc/56/26/83/585562683.db2.gz GQXAFEJZULJXRN-UHFFFAOYSA-N -1 3 245.253 3.291 20 30 BGEDHM [O-]c1cccc(C=Nc2cc(F)cc(F)c2)c1O ZINC000769729517 585562904 /nfs/dbraw/zinc/56/29/04/585562904.db2.gz PZSPAYYZIHLODQ-UHFFFAOYSA-N -1 3 249.216 3.127 20 30 BGEDHM Cc1ccc(C/N=C/c2ccccc2[O-])cc1F ZINC000769730087 585562766 /nfs/dbraw/zinc/56/27/66/585562766.db2.gz ROVOXTNYPZIGMG-LICLKQGHSA-N -1 3 243.281 3.459 20 30 BGEDHM C=CCN(C(=O)c1ccc(C)c(C)c1[O-])C(C)C ZINC000769762709 585563192 /nfs/dbraw/zinc/56/31/92/585563192.db2.gz LBDIXEUGPFQTDZ-UHFFFAOYSA-N -1 3 247.338 3.046 20 30 BGEDHM CC(=NOCc1ccccc1)c1sccc1[O-] ZINC000769774318 585563419 /nfs/dbraw/zinc/56/34/19/585563419.db2.gz IZXVGNGXHHWSKC-UHFFFAOYSA-N -1 3 247.319 3.395 20 30 BGEDHM CC(=NOC1CCCC1)c1sccc1[O-] ZINC000769797275 585563505 /nfs/dbraw/zinc/56/35/05/585563505.db2.gz BXCGSEHTJTYGSX-UHFFFAOYSA-N -1 3 225.313 3.137 20 30 BGEDHM Cc1cc(F)cc(N=Cc2cccc([O-])c2O)c1 ZINC000770478802 585574527 /nfs/dbraw/zinc/57/45/27/585574527.db2.gz LUCWQIDROUASHD-UHFFFAOYSA-N -1 3 245.253 3.296 20 30 BGEDHM Cc1ccsc1CC/N=C/c1ccccc1[O-] ZINC000773151063 585632607 /nfs/dbraw/zinc/63/26/07/585632607.db2.gz PPAIWVLMXRREBY-XNTDXEJSSA-N -1 3 245.347 3.424 20 30 BGEDHM C=C(CC)CO[N-]C(=O)CCCc1ccccc1 ZINC000773177063 585633164 /nfs/dbraw/zinc/63/31/64/585633164.db2.gz GUWKKKZAZGROSX-UHFFFAOYSA-N -1 3 247.338 3.023 20 30 BGEDHM C=C(CC)CO[N-]C(=O)CCC1CCCCC1 ZINC000773177384 585633247 /nfs/dbraw/zinc/63/32/47/585633247.db2.gz IKLIFDDEARSOFZ-UHFFFAOYSA-N -1 3 239.359 3.361 20 30 BGEDHM C=C(CC)COC(=O)c1cc2ccsc2[n-]1 ZINC000773455277 585636477 /nfs/dbraw/zinc/63/64/77/585636477.db2.gz UJLAJXLZRRZDMJ-UHFFFAOYSA-N -1 3 235.308 3.352 20 30 BGEDHM C=C(CC)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000773482286 585637965 /nfs/dbraw/zinc/63/79/65/585637965.db2.gz MAGUWLYUGNFOSY-UHFFFAOYSA-N -1 3 248.109 3.445 20 30 BGEDHM CCCCCCCC(=O)[N-]Oc1ccccc1 ZINC000774273565 585655685 /nfs/dbraw/zinc/65/56/85/585655685.db2.gz DWEHDJUYOFHRHX-UHFFFAOYSA-N -1 3 235.327 3.457 20 30 BGEDHM CC(C)=CCC[C@@H](C)CC=NN=c1cc[n-]n1C ZINC000774411577 585657932 /nfs/dbraw/zinc/65/79/32/585657932.db2.gz RXKPZOQTNSFLDM-CYBMUJFWSA-N -1 3 248.374 3.012 20 30 BGEDHM CC(C)=CCC[C@H](C)CC=NN=c1cc[n-]n1C ZINC000774411582 585657724 /nfs/dbraw/zinc/65/77/24/585657724.db2.gz RXKPZOQTNSFLDM-ZDUSSCGKSA-N -1 3 248.374 3.012 20 30 BGEDHM CCC(CC)CNN=C(C)c1ccccc1[O-] ZINC000774478194 585659965 /nfs/dbraw/zinc/65/99/65/585659965.db2.gz ZULUUAHNNNQDPB-UHFFFAOYSA-N -1 3 234.343 3.142 20 30 BGEDHM Cc1cc(Cl)cc(C=NOCC(C)C)c1[O-] ZINC000774585184 585661442 /nfs/dbraw/zinc/66/14/42/585661442.db2.gz HZNXGVSGNUQYAR-UHFFFAOYSA-N -1 3 241.718 3.361 20 30 BGEDHM CC(=NOC1CCCC1)c1ccc([O-])cc1F ZINC000774596630 585661579 /nfs/dbraw/zinc/66/15/79/585661579.db2.gz IPNAQUUKZHPZBN-UHFFFAOYSA-N -1 3 237.274 3.215 20 30 BGEDHM CC(=NOC1CCCC1)c1cc(C)ccc1[O-] ZINC000774597732 585661715 /nfs/dbraw/zinc/66/17/15/585661715.db2.gz XENHJJOEGVXLPQ-UHFFFAOYSA-N -1 3 233.311 3.384 20 30 BGEDHM CC(=NOC1CCCC1)c1cc(F)ccc1[O-] ZINC000774603198 585661826 /nfs/dbraw/zinc/66/18/26/585661826.db2.gz OVAGJSOMSCBGMS-UHFFFAOYSA-N -1 3 237.274 3.215 20 30 BGEDHM CCC(=NOC1CCCC1)c1ccc([O-])cc1 ZINC000774604390 585661807 /nfs/dbraw/zinc/66/18/07/585661807.db2.gz WPDVPPKCCPIBMQ-UHFFFAOYSA-N -1 3 233.311 3.466 20 30 BGEDHM [O-]c1cccc(Cl)c1C=NOC1CCCC1 ZINC000774606871 585662106 /nfs/dbraw/zinc/66/21/06/585662106.db2.gz BXLCXJTWPXRWEJ-UHFFFAOYSA-N -1 3 239.702 3.339 20 30 BGEDHM CCOc1ccc(C=NOC2CCCC2)c([O-])c1 ZINC000774607973 585661995 /nfs/dbraw/zinc/66/19/95/585661995.db2.gz JWNIFHLCQNQFHI-UHFFFAOYSA-N -1 3 249.310 3.084 20 30 BGEDHM [O-]c1ccc(Cl)cc1C=NOC1CCCC1 ZINC000774608476 585662032 /nfs/dbraw/zinc/66/20/32/585662032.db2.gz NUNCSLCSBUJRQZ-UHFFFAOYSA-N -1 3 239.702 3.339 20 30 BGEDHM CC(=NOC1CCCC1)c1ccc([O-])cc1 ZINC000774609045 585662049 /nfs/dbraw/zinc/66/20/49/585662049.db2.gz RNWZNHDZRGYBCP-UHFFFAOYSA-N -1 3 219.284 3.075 20 30 BGEDHM COc1ccc(C(C)=NOC2CCCC2)c([O-])c1 ZINC000774609256 585661992 /nfs/dbraw/zinc/66/19/92/585661992.db2.gz VJSUYLRGJRBABJ-UHFFFAOYSA-N -1 3 249.310 3.084 20 30 BGEDHM CC(=NOC1CCCC1)c1ccc(C)cc1[O-] ZINC000774609514 585662028 /nfs/dbraw/zinc/66/20/28/585662028.db2.gz WWKZBRZLPRXMLY-UHFFFAOYSA-N -1 3 233.311 3.384 20 30 BGEDHM CC(=NOC1CCCC1)c1ccccc1[O-] ZINC000774609841 585662138 /nfs/dbraw/zinc/66/21/38/585662138.db2.gz ZRCGGVMMNKGUAN-UHFFFAOYSA-N -1 3 219.284 3.075 20 30 BGEDHM CC1(C)CCC(OC(=O)c2ccc(C#N)[n-]2)CC1 ZINC000774768932 585665568 /nfs/dbraw/zinc/66/55/68/585665568.db2.gz MIETVKOPNMYSCX-UHFFFAOYSA-N -1 3 246.310 3.012 20 30 BGEDHM CCCCCCCC[C@@H](C)CC(=O)[N-]OC ZINC000775143527 585672722 /nfs/dbraw/zinc/67/27/22/585672722.db2.gz RSILXYKICDQRDW-GFCCVEGCSA-N -1 3 229.364 3.441 20 30 BGEDHM CCCCCCCC[C@H](C)CC(=O)[N-]OC ZINC000775143528 585672703 /nfs/dbraw/zinc/67/27/03/585672703.db2.gz RSILXYKICDQRDW-LBPRGKRZSA-N -1 3 229.364 3.441 20 30 BGEDHM Cc1cscc1C/N=C/c1ccccc1[O-] ZINC000775233868 585673702 /nfs/dbraw/zinc/67/37/02/585673702.db2.gz OPDAOHQXEPWMIA-MKMNVTDBSA-N -1 3 231.320 3.381 20 30 BGEDHM Cc1cccc(N=Cc2cccc([O-])c2O)c1F ZINC000775631157 585681944 /nfs/dbraw/zinc/68/19/44/585681944.db2.gz PZFBGKGUYROLJX-UHFFFAOYSA-N -1 3 245.253 3.296 20 30 BGEDHM C=CCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775934630 585687971 /nfs/dbraw/zinc/68/79/71/585687971.db2.gz BFQWNFKGPKQMIP-UHFFFAOYSA-N -1 3 240.686 3.169 20 30 BGEDHM C=C[C@H](CC)OC(=O)c1cc2ccsc2[n-]1 ZINC000776107474 585690488 /nfs/dbraw/zinc/69/04/88/585690488.db2.gz GQKXPNBGRPXLRZ-SECBINFHSA-N -1 3 235.308 3.351 20 30 BGEDHM C=C[C@@H](CC)OC(=O)c1cc2ccsc2[n-]1 ZINC000776107475 585690645 /nfs/dbraw/zinc/69/06/45/585690645.db2.gz GQKXPNBGRPXLRZ-VIFPVBQESA-N -1 3 235.308 3.351 20 30 BGEDHM COc1cccc([O-])c1C=NOC1CCCCC1 ZINC000777456777 585712597 /nfs/dbraw/zinc/71/25/97/585712597.db2.gz HHEJLQAEMVFIGD-UHFFFAOYSA-N -1 3 249.310 3.084 20 30 BGEDHM COc1ccc(C=NOC2CCCCC2)c([O-])c1 ZINC000777457416 585712829 /nfs/dbraw/zinc/71/28/29/585712829.db2.gz TWVHMKUWYNHFLR-UHFFFAOYSA-N -1 3 249.310 3.084 20 30 BGEDHM CC(=NOC1CCCCC1)c1ccc(O)cc1[O-] ZINC000777457482 583134403 /nfs/dbraw/zinc/13/44/03/583134403.db2.gz VQZHZFWWKXXOHG-UHFFFAOYSA-N -1 3 249.310 3.171 20 30 BGEDHM CC(=NOC1CCCCC1)c1ccc([O-])cc1 ZINC000777458043 585712915 /nfs/dbraw/zinc/71/29/15/585712915.db2.gz DLLYFOPHGGAZTP-UHFFFAOYSA-N -1 3 233.311 3.466 20 30 BGEDHM CC(=NOC1CCCCC1)c1ccccc1[O-] ZINC000777458330 585712855 /nfs/dbraw/zinc/71/28/55/585712855.db2.gz CLLDPFNSHHAFMJ-UHFFFAOYSA-N -1 3 233.311 3.466 20 30 BGEDHM [O-]c1ccc(F)cc1C=NOC1CCCCC1 ZINC000777459427 634389848 /nfs/dbraw/zinc/38/98/48/634389848.db2.gz QMDABQORMPSBSX-UHFFFAOYSA-N -1 3 237.274 3.215 20 30 BGEDHM Cc1ccc([O-])c(C=NOC2CCCCC2)c1 ZINC000777459512 585713005 /nfs/dbraw/zinc/71/30/05/585713005.db2.gz RBIRCIYYUAAWPJ-UHFFFAOYSA-N -1 3 233.311 3.384 20 30 BGEDHM CC(=NOCCC(F)(F)F)c1ccccc1[O-] ZINC000777461056 585713278 /nfs/dbraw/zinc/71/32/78/585713278.db2.gz UVHMCGDFUZGINP-UHFFFAOYSA-N -1 3 247.216 3.085 20 30 BGEDHM CC(=NOCCC(F)(F)F)c1ccc([O-])cc1 ZINC000777462770 585713120 /nfs/dbraw/zinc/71/31/20/585713120.db2.gz LMVDQYUHTJSDSU-UHFFFAOYSA-N -1 3 247.216 3.085 20 30 BGEDHM Cc1ccc([O-])c(C=NOCCC(F)(F)F)c1 ZINC000777462858 585713116 /nfs/dbraw/zinc/71/31/16/585713116.db2.gz OUZPXWDBGPGKBG-UHFFFAOYSA-N -1 3 247.216 3.004 20 30 BGEDHM C=CCC(CC=C)C(=O)[N-]OC1CCCCC1 ZINC000777958845 585724117 /nfs/dbraw/zinc/72/41/17/585724117.db2.gz QQCQNUHUVPKKLY-UHFFFAOYSA-N -1 3 237.343 3.135 20 30 BGEDHM C=C(C)CN(C)Cc1c([O-])cccc1Cl ZINC000779143799 585745499 /nfs/dbraw/zinc/74/54/99/585745499.db2.gz ICRBGMIIZNAASB-UHFFFAOYSA-N -1 3 225.719 3.054 20 30 BGEDHM C=C(C)CN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000779143816 585745805 /nfs/dbraw/zinc/74/58/05/585745805.db2.gz ISFAXBSWZPCPIA-UHFFFAOYSA-N -1 3 243.709 3.193 20 30 BGEDHM C#CCCCCCC(=O)Nc1ccc(C)cc1[O-] ZINC000779868473 585769155 /nfs/dbraw/zinc/76/91/55/585769155.db2.gz SRULRGDTLUAYQC-UHFFFAOYSA-N -1 3 245.322 3.223 20 30 BGEDHM C#CCCCCCC(=O)Nc1cccc([O-])c1F ZINC000780996368 585788283 /nfs/dbraw/zinc/78/82/83/585788283.db2.gz CLRWHRXWTFLZQE-UHFFFAOYSA-N -1 3 249.285 3.054 20 30 BGEDHM C#CCCCCCC(=O)Nc1c(C)cccc1[O-] ZINC000781015292 585788733 /nfs/dbraw/zinc/78/87/33/585788733.db2.gz NTSJEVUMLBYBOP-UHFFFAOYSA-N -1 3 245.322 3.223 20 30 BGEDHM N#Cc1ccc(C(=O)OCC2CCCCCC2)[n-]1 ZINC000781480654 585796950 /nfs/dbraw/zinc/79/69/50/585796950.db2.gz DDQUJUBVUFDEBP-UHFFFAOYSA-N -1 3 246.310 3.014 20 30 BGEDHM CC(C)(C)c1ccc(CCCCC(=O)N[O-])cc1 ZINC000782169357 585808680 /nfs/dbraw/zinc/80/86/80/585808680.db2.gz KWCHVGQHDPOVPZ-UHFFFAOYSA-N -1 3 249.354 3.202 20 30 BGEDHM CCCCCCCC[C@@H](C)CC(=O)N[O-] ZINC000782172176 585809009 /nfs/dbraw/zinc/80/90/09/585809009.db2.gz MQDBKVLDLAEYIL-LLVKDONJSA-N -1 3 215.337 3.269 20 30 BGEDHM CCCCCCCC[C@H](C)CC(=O)N[O-] ZINC000782172181 585809087 /nfs/dbraw/zinc/80/90/87/585809087.db2.gz MQDBKVLDLAEYIL-NSHDSACASA-N -1 3 215.337 3.269 20 30 BGEDHM CCCCCC[C@@](C)(CCC)C(=O)N[O-] ZINC000782173671 582869708 /nfs/dbraw/zinc/86/97/08/582869708.db2.gz XZGVXHGSUXIHPB-GFCCVEGCSA-N -1 3 215.337 3.269 20 30 BGEDHM CCCCCC[C@](C)(CCC)C(=O)N[O-] ZINC000782173672 582869451 /nfs/dbraw/zinc/86/94/51/582869451.db2.gz XZGVXHGSUXIHPB-LBPRGKRZSA-N -1 3 215.337 3.269 20 30 BGEDHM CC(=NN[C@H]1CCCC1(C)C)c1ccccc1[O-] ZINC000782287056 585813872 /nfs/dbraw/zinc/81/38/72/585813872.db2.gz JPLDBTVMSGAHQB-AWEZNQCLSA-N -1 3 246.354 3.285 20 30 BGEDHM CC(=NN[C@@H]1CCCC1(C)C)c1ccccc1[O-] ZINC000782287058 585813978 /nfs/dbraw/zinc/81/39/78/585813978.db2.gz JPLDBTVMSGAHQB-CQSZACIVSA-N -1 3 246.354 3.285 20 30 BGEDHM C#CCCCCCC(=O)Nc1ccc([O-])cc1F ZINC000782855055 585824987 /nfs/dbraw/zinc/82/49/87/585824987.db2.gz LTQVVYSUBKSRRP-UHFFFAOYSA-N -1 3 249.285 3.054 20 30 BGEDHM CC(=NNCCC(C)(C)C)c1ccccc1[O-] ZINC000782906920 585825859 /nfs/dbraw/zinc/82/58/59/585825859.db2.gz HCZOQZFXZRVQBE-UHFFFAOYSA-N -1 3 234.343 3.142 20 30 BGEDHM C=CCCCCCOC(=O)c1cc([O-])cs1 ZINC000783608372 585838274 /nfs/dbraw/zinc/83/82/74/585838274.db2.gz PQIDLWKGHWCHSV-UHFFFAOYSA-N -1 3 240.324 3.357 20 30 BGEDHM [O-]c1ccccc1/C=N\C[C@@H]1CCCCS1 ZINC000783682615 585839885 /nfs/dbraw/zinc/83/98/85/585839885.db2.gz YHKBLUPSHZVKIK-CJAAZZPWSA-N -1 3 235.352 3.097 20 30 BGEDHM [O-]c1ccccc1/C=N/C[C@@H]1CCCCS1 ZINC000783682629 585839780 /nfs/dbraw/zinc/83/97/80/585839780.db2.gz YHKBLUPSHZVKIK-IGVUGNCQSA-N -1 3 235.352 3.097 20 30 BGEDHM [O-]c1ccccc1/C=N\C[C@H]1CCCCS1 ZINC000783682630 585839862 /nfs/dbraw/zinc/83/98/62/585839862.db2.gz YHKBLUPSHZVKIK-OJLMPMFISA-N -1 3 235.352 3.097 20 30 BGEDHM [O-]c1ccccc1/C=N/C[C@H]1CCCCS1 ZINC000783682632 585839919 /nfs/dbraw/zinc/83/99/19/585839919.db2.gz YHKBLUPSHZVKIK-ZMTLZGASSA-N -1 3 235.352 3.097 20 30 BGEDHM C=C(CC)COC(=O)c1cc([O-])ccc1Cl ZINC000785868209 585882233 /nfs/dbraw/zinc/88/22/33/585882233.db2.gz OTPZNPOTGCJSIJ-UHFFFAOYSA-N -1 3 240.686 3.169 20 30 BGEDHM C=CCCCOC(=O)c1cc([O-])ccc1Cl ZINC000785871613 585882279 /nfs/dbraw/zinc/88/22/79/585882279.db2.gz CMIUDAOIXHYQEV-UHFFFAOYSA-N -1 3 240.686 3.169 20 30 BGEDHM CC(=NNC1CCCCC1)c1ccccc1[O-] ZINC000786042411 585886069 /nfs/dbraw/zinc/88/60/69/585886069.db2.gz VMAKQTDFIGGQSS-UHFFFAOYSA-N -1 3 232.327 3.039 20 30 BGEDHM CC(=NNC1CCCCC1)c1ccc(C)cc1[O-] ZINC000786043673 585886244 /nfs/dbraw/zinc/88/62/44/585886244.db2.gz RNAFRMKLBDBGSB-UHFFFAOYSA-N -1 3 246.354 3.347 20 30 BGEDHM CCCC[C@@H](CCC)OC(=O)c1ccc(C#N)[n-]1 ZINC000786072519 585886771 /nfs/dbraw/zinc/88/67/71/585886771.db2.gz VZYPMAUIDXMRCV-GFCCVEGCSA-N -1 3 248.326 3.402 20 30 BGEDHM CCCC[C@H](CCC)OC(=O)c1ccc(C#N)[n-]1 ZINC000786072523 585886700 /nfs/dbraw/zinc/88/67/00/585886700.db2.gz VZYPMAUIDXMRCV-LBPRGKRZSA-N -1 3 248.326 3.402 20 30 BGEDHM N#Cc1ccc(C(=O)OCCCC2CCCC2)[n-]1 ZINC000786091074 585887122 /nfs/dbraw/zinc/88/71/22/585887122.db2.gz IROAGZQKECQJQL-UHFFFAOYSA-N -1 3 246.310 3.014 20 30 BGEDHM C=C(C)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786136370 712419774 /nfs/dbraw/zinc/41/97/74/712419774.db2.gz GTSVRKQAEOAMDE-UHFFFAOYSA-N -1 3 248.303 3.340 20 30 BGEDHM CC[C@H](CC#N)OC(=O)c1cc2ccsc2[n-]1 ZINC000787090696 585901226 /nfs/dbraw/zinc/90/12/26/585901226.db2.gz SIPSOBJOSKWQOJ-SECBINFHSA-N -1 3 248.307 3.078 20 30 BGEDHM CC[C@@H](CC#N)OC(=O)c1cc2ccsc2[n-]1 ZINC000787090697 585901213 /nfs/dbraw/zinc/90/12/13/585901213.db2.gz SIPSOBJOSKWQOJ-VIFPVBQESA-N -1 3 248.307 3.078 20 30 BGEDHM CC[C@H](/N=C\c1ccccc1[O-])C(F)(F)F ZINC000787142106 585902057 /nfs/dbraw/zinc/90/20/57/585902057.db2.gz RRBDWQVYQCLKQN-VNCYPQDWSA-N -1 3 231.217 3.152 20 30 BGEDHM CC[C@H](/N=C/c1ccccc1[O-])C(F)(F)F ZINC000787142107 585901985 /nfs/dbraw/zinc/90/19/85/585901985.db2.gz RRBDWQVYQCLKQN-XVBMGZJVSA-N -1 3 231.217 3.152 20 30 BGEDHM CC(C)[C@H](/N=C\c1ccccc1[O-])C(F)(F)F ZINC000787142171 585901869 /nfs/dbraw/zinc/90/18/69/585901869.db2.gz SXKWYKWDKLZETC-FQKZPNAISA-N -1 3 245.244 3.398 20 30 BGEDHM CC(C)[C@H](/N=C/c1ccccc1[O-])C(F)(F)F ZINC000787142174 585901933 /nfs/dbraw/zinc/90/19/33/585901933.db2.gz SXKWYKWDKLZETC-JRUYLCMPSA-N -1 3 245.244 3.398 20 30 BGEDHM CC(C)CON=c1[n-]c(C(C)(C)C)ccc1C#N ZINC000788076069 584992614 /nfs/dbraw/zinc/99/26/14/584992614.db2.gz LVHXJEGOQOPRLE-UHFFFAOYSA-N -1 3 247.342 3.250 20 30 BGEDHM C#C[C@H](CCC)/N=C\c1cc(Cl)ccc1[O-] ZINC000790098285 585958002 /nfs/dbraw/zinc/95/80/02/585958002.db2.gz GCZIYBHCNGGUCR-CDCQXCROSA-N -1 3 235.714 3.266 20 30 BGEDHM C#C[C@@H](CCC)/N=C/c1cc(Cl)ccc1[O-] ZINC000790098286 585958105 /nfs/dbraw/zinc/95/81/05/585958105.db2.gz GCZIYBHCNGGUCR-DGGAMASNSA-N -1 3 235.714 3.266 20 30 BGEDHM C#C[C@H](CCC)/N=C/c1cc(Cl)ccc1[O-] ZINC000790098287 585957988 /nfs/dbraw/zinc/95/79/88/585957988.db2.gz GCZIYBHCNGGUCR-KMHUVPDISA-N -1 3 235.714 3.266 20 30 BGEDHM C#C[C@@H](CCC)/N=C\c1cc(Cl)ccc1[O-] ZINC000790098288 585957993 /nfs/dbraw/zinc/95/79/93/585957993.db2.gz GCZIYBHCNGGUCR-ZENNRRHLSA-N -1 3 235.714 3.266 20 30 BGEDHM CC(C)=CC/N=C/c1cc(Cl)ccc1[O-] ZINC000790098451 585957973 /nfs/dbraw/zinc/95/79/73/585957973.db2.gz ICEWMILMINXFBN-RIYZIHGNSA-N -1 3 223.703 3.431 20 30 BGEDHM CC(C)=CC/N=C\c1cc(Cl)ccc1[O-] ZINC000790098471 585958050 /nfs/dbraw/zinc/95/80/50/585958050.db2.gz ICEWMILMINXFBN-ZSOIEALJSA-N -1 3 223.703 3.431 20 30 BGEDHM C#C[C@H](CCC)/N=C/c1ccc(OCC)cc1[O-] ZINC000790100810 585958316 /nfs/dbraw/zinc/95/83/16/585958316.db2.gz YYOZBTGWXKTDBO-KWWJGWKXSA-N -1 3 245.322 3.012 20 30 BGEDHM C#C[C@@H](CCC)/N=C\c1ccc(OCC)cc1[O-] ZINC000790100811 585958288 /nfs/dbraw/zinc/95/82/88/585958288.db2.gz YYOZBTGWXKTDBO-RERGGYADSA-N -1 3 245.322 3.012 20 30 BGEDHM C#C[C@@H](CCC)/N=C/c1ccc(OCC)cc1[O-] ZINC000790100812 585958347 /nfs/dbraw/zinc/95/83/47/585958347.db2.gz YYOZBTGWXKTDBO-XDUBLRSXSA-N -1 3 245.322 3.012 20 30 BGEDHM C#C[C@H](CCC)/N=C\c1ccc(OCC)cc1[O-] ZINC000790100813 585958369 /nfs/dbraw/zinc/95/83/69/585958369.db2.gz YYOZBTGWXKTDBO-YYTPVVGHSA-N -1 3 245.322 3.012 20 30 BGEDHM COc1cccc([O-])c1/C=N\CCC=C(C)C ZINC000790101042 585958359 /nfs/dbraw/zinc/95/83/59/585958359.db2.gz LNXJKTDMNIRLFN-GDNBJRDFSA-N -1 3 233.311 3.176 20 30 BGEDHM COc1cccc([O-])c1/C=N/CCC=C(C)C ZINC000790101043 585958363 /nfs/dbraw/zinc/95/83/63/585958363.db2.gz LNXJKTDMNIRLFN-XNTDXEJSSA-N -1 3 233.311 3.176 20 30 BGEDHM CCOc1ccc(/C=N/CC=C(C)C)c([O-])c1 ZINC000790102000 585958226 /nfs/dbraw/zinc/95/82/26/585958226.db2.gz USVKJTADFRQNOE-XNTDXEJSSA-N -1 3 233.311 3.176 20 30 BGEDHM CC(C)=CCC/N=C/c1ccccc1[O-] ZINC000790102101 585958255 /nfs/dbraw/zinc/95/82/55/585958255.db2.gz WRIRZHVQNVGSQV-GXDHUFHOSA-N -1 3 203.285 3.167 20 30 BGEDHM CC(C)=CCC/N=C\c1ccccc1[O-] ZINC000790102102 585958213 /nfs/dbraw/zinc/95/82/13/585958213.db2.gz WRIRZHVQNVGSQV-UVTDQMKNSA-N -1 3 203.285 3.167 20 30 BGEDHM CC[C@@H](C)NN=C(C)c1cc(Cl)ccc1[O-] ZINC000790186009 585960229 /nfs/dbraw/zinc/96/02/29/585960229.db2.gz AHJWCYFSJTURAD-MRVPVSSYSA-N -1 3 240.734 3.158 20 30 BGEDHM CC[C@H](C)NN=C(C)c1cc(Cl)ccc1[O-] ZINC000790186011 585960079 /nfs/dbraw/zinc/96/00/79/585960079.db2.gz AHJWCYFSJTURAD-QMMMGPOBSA-N -1 3 240.734 3.158 20 30 BGEDHM C=CCCC/N=C/c1cc(Cl)ccc1[O-] ZINC000790597478 585966768 /nfs/dbraw/zinc/96/67/68/585966768.db2.gz DABFTBDIICGPID-NTEUORMPSA-N -1 3 223.703 3.431 20 30 BGEDHM C=CCCC/N=C/c1ccc(OCC)cc1[O-] ZINC000790597796 585966678 /nfs/dbraw/zinc/96/66/78/585966678.db2.gz FNVABVJWXGFYHZ-RVDMUPIBSA-N -1 3 233.311 3.176 20 30 BGEDHM C=CCC1(C(=O)[N-]OC2CCCCC2)CCC1 ZINC000790928204 585970774 /nfs/dbraw/zinc/97/07/74/585970774.db2.gz FOWRQCUGAZIFMI-UHFFFAOYSA-N -1 3 237.343 3.113 20 30 BGEDHM C#C[C@H](CC)/N=C\c1c([O-])ccc2ccccc21 ZINC000792571625 586002771 /nfs/dbraw/zinc/00/27/71/586002771.db2.gz YTWOKKZUMCPVKE-GPLLRDDGSA-N -1 3 237.302 3.376 20 30 BGEDHM C#C[C@@H](CC)/N=C/c1c([O-])ccc2ccccc21 ZINC000792571649 586002832 /nfs/dbraw/zinc/00/28/32/586002832.db2.gz YTWOKKZUMCPVKE-HNEYUBDGSA-N -1 3 237.302 3.376 20 30 BGEDHM C#C[C@@H](CC)/N=C\c1c([O-])ccc2ccccc21 ZINC000792571653 586002759 /nfs/dbraw/zinc/00/27/59/586002759.db2.gz YTWOKKZUMCPVKE-MFVBVHDHSA-N -1 3 237.302 3.376 20 30 BGEDHM C#C[C@H](CC)/N=C/c1c([O-])ccc2ccccc21 ZINC000792571657 586002689 /nfs/dbraw/zinc/00/26/89/586002689.db2.gz YTWOKKZUMCPVKE-VVBXCHJUSA-N -1 3 237.302 3.376 20 30 BGEDHM CC(=NNCC1(C)CCCC1)c1ccccc1[O-] ZINC000793081277 583552636 /nfs/dbraw/zinc/55/26/36/583552636.db2.gz JCRGARXNGGCKST-UHFFFAOYSA-N -1 3 246.354 3.286 20 30 BGEDHM CC(=NN[C@H](C)C(C)(C)C)c1ccc(C)cc1[O-] ZINC000793111353 586010360 /nfs/dbraw/zinc/01/03/60/586010360.db2.gz GCRGBNVOZIYQFB-GFCCVEGCSA-N -1 3 248.370 3.449 20 30 BGEDHM CC(=NN[C@@H](C)C(C)(C)C)c1ccc(C)cc1[O-] ZINC000793111355 586010366 /nfs/dbraw/zinc/01/03/66/586010366.db2.gz GCRGBNVOZIYQFB-LBPRGKRZSA-N -1 3 248.370 3.449 20 30 BGEDHM CC(=NN[C@H](C)C(C)(C)C)c1ccccc1[O-] ZINC000793111415 586010408 /nfs/dbraw/zinc/01/04/08/586010408.db2.gz HAEPOMVIBJYKOE-LLVKDONJSA-N -1 3 234.343 3.140 20 30 BGEDHM CC(=NN[C@@H](C)C(C)(C)C)c1ccccc1[O-] ZINC000793111416 586010398 /nfs/dbraw/zinc/01/03/98/586010398.db2.gz HAEPOMVIBJYKOE-NSHDSACASA-N -1 3 234.343 3.140 20 30 BGEDHM CC[C@@H](C)CON=C(C)c1cc(F)ccc1[O-] ZINC000793145962 583561357 /nfs/dbraw/zinc/56/13/57/583561357.db2.gz NGKXNJJUBVATAY-SECBINFHSA-N -1 3 239.290 3.318 20 30 BGEDHM CC[C@H](C)CON=C(C)c1cc(F)ccc1[O-] ZINC000793145967 583561038 /nfs/dbraw/zinc/56/10/38/583561038.db2.gz NGKXNJJUBVATAY-VIFPVBQESA-N -1 3 239.290 3.318 20 30 BGEDHM CC[C@H](C)CON=C(C)c1ccc(C)cc1[O-] ZINC000793146469 583561214 /nfs/dbraw/zinc/56/12/14/583561214.db2.gz SPTYHJXEXPLFMS-JTQLQIEISA-N -1 3 235.327 3.487 20 30 BGEDHM CC[C@@H](C)CON=C(C)c1ccc(C)cc1[O-] ZINC000793146470 583561475 /nfs/dbraw/zinc/56/14/75/583561475.db2.gz SPTYHJXEXPLFMS-SNVBAGLBSA-N -1 3 235.327 3.487 20 30 BGEDHM CC[C@H](C)CON=C(C)c1ccccc1[O-] ZINC000793146783 583563028 /nfs/dbraw/zinc/56/30/28/583563028.db2.gz VGLNWSSTCZYHNO-JTQLQIEISA-N -1 3 221.300 3.179 20 30 BGEDHM CC[C@@H](C)CON=C(C)c1ccccc1[O-] ZINC000793146787 583562981 /nfs/dbraw/zinc/56/29/81/583562981.db2.gz VGLNWSSTCZYHNO-SNVBAGLBSA-N -1 3 221.300 3.179 20 30 BGEDHM CC[C@H](C)CON=C(C)c1cc(C)ccc1[O-] ZINC000793147089 586011628 /nfs/dbraw/zinc/01/16/28/586011628.db2.gz YNZPVECTUYIWJJ-JTQLQIEISA-N -1 3 235.327 3.487 20 30 BGEDHM CC[C@@H](C)CON=C(C)c1cc(C)ccc1[O-] ZINC000793147090 586011728 /nfs/dbraw/zinc/01/17/28/586011728.db2.gz YNZPVECTUYIWJJ-SNVBAGLBSA-N -1 3 235.327 3.487 20 30 BGEDHM CC[C@H](C)CON=Cc1cc(C)ccc1[O-] ZINC000793147151 586011669 /nfs/dbraw/zinc/01/16/69/586011669.db2.gz ZPVSUPJEHUMTQZ-JTQLQIEISA-N -1 3 221.300 3.097 20 30 BGEDHM CC[C@@H](C)CON=Cc1cc(C)ccc1[O-] ZINC000793147153 586011599 /nfs/dbraw/zinc/01/15/99/586011599.db2.gz ZPVSUPJEHUMTQZ-SNVBAGLBSA-N -1 3 221.300 3.097 20 30 BGEDHM CC[C@@H](C)CON=C(C)c1sccc1[O-] ZINC000793158452 586011883 /nfs/dbraw/zinc/01/18/83/586011883.db2.gz GQSATKLNZNDYKQ-MRVPVSSYSA-N -1 3 227.329 3.240 20 30 BGEDHM CC[C@H](C)CON=C(C)c1sccc1[O-] ZINC000793158453 586011825 /nfs/dbraw/zinc/01/18/25/586011825.db2.gz GQSATKLNZNDYKQ-QMMMGPOBSA-N -1 3 227.329 3.240 20 30 BGEDHM CC[C@H](C)CON=C(C)c1ccc([O-])cc1 ZINC000793159960 583572865 /nfs/dbraw/zinc/57/28/65/583572865.db2.gz SHIVBTRMBHHMCX-JTQLQIEISA-N -1 3 221.300 3.179 20 30 BGEDHM CC[C@@H](C)CON=C(C)c1ccc([O-])cc1 ZINC000793159964 583572843 /nfs/dbraw/zinc/57/28/43/583572843.db2.gz SHIVBTRMBHHMCX-SNVBAGLBSA-N -1 3 221.300 3.179 20 30 BGEDHM CC[C@@H](C)CON=C(C)c1ccc([O-])cc1F ZINC000793160534 586012063 /nfs/dbraw/zinc/01/20/63/586012063.db2.gz VEYHMHFUUXGJHN-SECBINFHSA-N -1 3 239.290 3.318 20 30 BGEDHM CC[C@H](C)CON=C(C)c1ccc([O-])cc1F ZINC000793160538 586012182 /nfs/dbraw/zinc/01/21/82/586012182.db2.gz VEYHMHFUUXGJHN-VIFPVBQESA-N -1 3 239.290 3.318 20 30 BGEDHM [O-]c1ccc(F)c(C=NNc2ccccc2)c1F ZINC000794445891 586039889 /nfs/dbraw/zinc/03/98/89/586039889.db2.gz SIVATJDXKAPZLY-UHFFFAOYSA-N -1 3 248.232 3.116 20 30 BGEDHM C[C@@H]1CC[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000794675879 586046273 /nfs/dbraw/zinc/04/62/73/586046273.db2.gz GXFRELXSYZJFRD-GHMRLWSGSA-N -1 3 223.703 3.263 20 30 BGEDHM C[C@@H]1CC[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000794675880 586046383 /nfs/dbraw/zinc/04/63/83/586046383.db2.gz GXFRELXSYZJFRD-QMGANUGASA-N -1 3 223.703 3.263 20 30 BGEDHM C[C@@H]1CC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000794675881 586046325 /nfs/dbraw/zinc/04/63/25/586046325.db2.gz GXFRELXSYZJFRD-SRNFDWDKSA-N -1 3 223.703 3.263 20 30 BGEDHM C[C@@H]1CC[C@@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000794675883 586046260 /nfs/dbraw/zinc/04/62/60/586046260.db2.gz GXFRELXSYZJFRD-VYPVARJXSA-N -1 3 223.703 3.263 20 30 BGEDHM CCOc1ccc(/C=N/[C@@H]2CC[C@@H]2C)c([O-])c1 ZINC000794676929 586046712 /nfs/dbraw/zinc/04/67/12/586046712.db2.gz RHLHAXOSWVZMFR-BSRRMSHZSA-N -1 3 233.311 3.008 20 30 BGEDHM CCOc1ccc(/C=N\[C@@H]2CC[C@@H]2C)c([O-])c1 ZINC000794676930 586046782 /nfs/dbraw/zinc/04/67/82/586046782.db2.gz RHLHAXOSWVZMFR-LUDSFOTDSA-N -1 3 233.311 3.008 20 30 BGEDHM CCOc1ccc(/C=N\[C@@H]2CC[C@H]2C)c([O-])c1 ZINC000794676932 586046644 /nfs/dbraw/zinc/04/66/44/586046644.db2.gz RHLHAXOSWVZMFR-NNFJOIEBSA-N -1 3 233.311 3.008 20 30 BGEDHM CCOc1ccc(/C=N/[C@@H]2CC[C@H]2C)c([O-])c1 ZINC000794676934 583617241 /nfs/dbraw/zinc/61/72/41/583617241.db2.gz RHLHAXOSWVZMFR-OGSQCODOSA-N -1 3 233.311 3.008 20 30 BGEDHM [O-]c1ccccc1/C=N\CC1(C(F)(F)F)CC1 ZINC000794678202 586046777 /nfs/dbraw/zinc/04/67/77/586046777.db2.gz ZLFMVROPOGAZKV-APSNUPSMSA-N -1 3 243.228 3.154 20 30 BGEDHM [O-]c1ccccc1/C=N/CC1(C(F)(F)F)CC1 ZINC000794678204 586046752 /nfs/dbraw/zinc/04/67/52/586046752.db2.gz ZLFMVROPOGAZKV-FRKPEAEDSA-N -1 3 243.228 3.154 20 30 BGEDHM COc1cccc([O-])c1/C=N\CCC1(C)CC1 ZINC000794832391 586049706 /nfs/dbraw/zinc/04/97/06/586049706.db2.gz IAFOYXOOENPGNN-GDNBJRDFSA-N -1 3 233.311 3.010 20 30 BGEDHM COc1cccc([O-])c1/C=N/CCC1(C)CC1 ZINC000794832392 586049606 /nfs/dbraw/zinc/04/96/06/586049606.db2.gz IAFOYXOOENPGNN-XNTDXEJSSA-N -1 3 233.311 3.010 20 30 BGEDHM CC1(CC/N=C/c2ccccc2[O-])CC1 ZINC000794834865 586050039 /nfs/dbraw/zinc/05/00/39/586050039.db2.gz VQWVKWQYDHLHBE-GXDHUFHOSA-N -1 3 203.285 3.001 20 30 BGEDHM CC1(CC/N=C\c2ccccc2[O-])CC1 ZINC000794834866 586049929 /nfs/dbraw/zinc/04/99/29/586049929.db2.gz VQWVKWQYDHLHBE-UVTDQMKNSA-N -1 3 203.285 3.001 20 30 BGEDHM [O-]c1ccccc1C=Nc1cccc2c1CCO2 ZINC000794835797 586049880 /nfs/dbraw/zinc/04/98/80/586049880.db2.gz YKNUOEJWYMUCOP-UHFFFAOYSA-N -1 3 239.274 3.078 20 30 BGEDHM C[C@@H]1CC[C@H](C/N=C/c2ccccc2[O-])C1 ZINC000794846335 586050808 /nfs/dbraw/zinc/05/08/08/586050808.db2.gz AHVDAFWMNCWWIS-HTIZXDQJSA-N -1 3 217.312 3.247 20 30 BGEDHM C[C@@H]1CC[C@@H](C/N=C/c2ccccc2[O-])C1 ZINC000794846338 586050602 /nfs/dbraw/zinc/05/06/02/586050602.db2.gz AHVDAFWMNCWWIS-SJIAUZAASA-N -1 3 217.312 3.247 20 30 BGEDHM C=CCNN=C(C)c1ccc2ccccc2c1[O-] ZINC000795003350 586064025 /nfs/dbraw/zinc/06/40/25/586064025.db2.gz JCBBZRVUBGSUOG-UHFFFAOYSA-N -1 3 240.306 3.045 20 30 BGEDHM C=C(C)CCO[N-]C(=O)CCCc1ccccc1 ZINC000795206425 586071734 /nfs/dbraw/zinc/07/17/34/586071734.db2.gz VTNVGXACXICRHH-UHFFFAOYSA-N -1 3 247.338 3.023 20 30 BGEDHM C=C(C)CCO[N-]C(=O)CCC1CCCCC1 ZINC000795206474 586071567 /nfs/dbraw/zinc/07/15/67/586071567.db2.gz WHWHJWMMIDJDPS-UHFFFAOYSA-N -1 3 239.359 3.361 20 30 BGEDHM C=C(C)COC(=O)c1cc([O-])c2ccccc2c1 ZINC000795678975 586090773 /nfs/dbraw/zinc/09/07/73/586090773.db2.gz BBEDWVQSSWAKQS-UHFFFAOYSA-N -1 3 242.274 3.278 20 30 BGEDHM C=CCCOC(=O)c1cc([O-])c2ccccc2c1 ZINC000795682636 586091091 /nfs/dbraw/zinc/09/10/91/586091091.db2.gz SLPHRNSWJBEGAN-UHFFFAOYSA-N -1 3 242.274 3.278 20 30 BGEDHM CCOc1ccc(/C=N\[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000797398788 586126395 /nfs/dbraw/zinc/12/63/95/586126395.db2.gz QTDUTDOFXNETBA-BHJNDZAMSA-N -1 3 245.322 3.008 20 30 BGEDHM CCOc1ccc(/C=N/[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000797398789 586126235 /nfs/dbraw/zinc/12/62/35/586126235.db2.gz QTDUTDOFXNETBA-SPUNDSLRSA-N -1 3 245.322 3.008 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1C[C@H]1C1CC1 ZINC000797399164 586126281 /nfs/dbraw/zinc/12/62/81/586126281.db2.gz UXVPKJFTPDMQFT-BESWFOBESA-N -1 3 235.714 3.263 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1C[C@H]1C1CC1 ZINC000797399166 586126327 /nfs/dbraw/zinc/12/63/27/586126327.db2.gz UXVPKJFTPDMQFT-NOVGAOEUSA-N -1 3 235.714 3.263 20 30 BGEDHM N#CCC1(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000797399716 586126322 /nfs/dbraw/zinc/12/63/22/586126322.db2.gz ZIMIYZIPRSRLOZ-LZYBPNLTSA-N -1 3 248.713 3.158 20 30 BGEDHM CC[C@@H]1C[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000797784825 586131365 /nfs/dbraw/zinc/13/13/65/586131365.db2.gz JYVIPCFXKNYSGA-QMGANUGASA-N -1 3 223.703 3.263 20 30 BGEDHM CC[C@@H]1C[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000797784826 586131383 /nfs/dbraw/zinc/13/13/83/586131383.db2.gz JYVIPCFXKNYSGA-SRNFDWDKSA-N -1 3 223.703 3.263 20 30 BGEDHM CCOc1ccc(/C=N\[C@@H]2C[C@H]2CC)c([O-])c1 ZINC000797785248 586131418 /nfs/dbraw/zinc/13/14/18/586131418.db2.gz XXTRKXDNEGPXBT-NNFJOIEBSA-N -1 3 233.311 3.008 20 30 BGEDHM CCOc1ccc(/C=N/[C@@H]2C[C@H]2CC)c([O-])c1 ZINC000797785249 586131230 /nfs/dbraw/zinc/13/12/30/586131230.db2.gz XXTRKXDNEGPXBT-OGSQCODOSA-N -1 3 233.311 3.008 20 30 BGEDHM C#C[C@H](/N=C/c1cc(Cl)ccc1[O-])C(C)C ZINC000798343703 586142916 /nfs/dbraw/zinc/14/29/16/586142916.db2.gz ODICBVNKLJCMBV-AAWHYMEISA-N -1 3 235.714 3.122 20 30 BGEDHM C#C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(C)C ZINC000798343704 586142801 /nfs/dbraw/zinc/14/28/01/586142801.db2.gz ODICBVNKLJCMBV-AZZDOICSSA-N -1 3 235.714 3.122 20 30 BGEDHM C#C[C@H](/N=C\c1cc(Cl)ccc1[O-])C(C)C ZINC000798343705 586142878 /nfs/dbraw/zinc/14/28/78/586142878.db2.gz ODICBVNKLJCMBV-IYVNWDGISA-N -1 3 235.714 3.122 20 30 BGEDHM C#C[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(C)C ZINC000798343706 586142811 /nfs/dbraw/zinc/14/28/11/586142811.db2.gz ODICBVNKLJCMBV-PWDRSIHYSA-N -1 3 235.714 3.122 20 30 BGEDHM C[C@@H]1CCC[C@H]1C/N=C/c1ccccc1[O-] ZINC000798344114 586142767 /nfs/dbraw/zinc/14/27/67/586142767.db2.gz ZUOKWDCAHOIQML-HTIZXDQJSA-N -1 3 217.312 3.247 20 30 BGEDHM C[C@@H]1CCC[C@@H]1C/N=C/c1ccccc1[O-] ZINC000798344116 586142910 /nfs/dbraw/zinc/14/29/10/586142910.db2.gz ZUOKWDCAHOIQML-SJIAUZAASA-N -1 3 217.312 3.247 20 30 BGEDHM [O-]c1ccccc1/C=N\CCCC(F)(F)F ZINC000799742869 586195793 /nfs/dbraw/zinc/19/57/93/586195793.db2.gz MCDNHGFDAAVSIZ-NVNXTCNLSA-N -1 3 231.217 3.154 20 30 BGEDHM [O-]c1ccccc1/C=N/CCCC(F)(F)F ZINC000799742870 586195820 /nfs/dbraw/zinc/19/58/20/586195820.db2.gz MCDNHGFDAAVSIZ-OVCLIPMQSA-N -1 3 231.217 3.154 20 30 BGEDHM CCCCNN=C(C)c1c(C)cc(C)cc1[O-] ZINC000799875539 586198916 /nfs/dbraw/zinc/19/89/16/586198916.db2.gz GMGTZIFRGGJTKX-UHFFFAOYSA-N -1 3 234.343 3.123 20 30 BGEDHM CC(=NNC1CCCC1)c1c(C)cc(C)cc1[O-] ZINC000799878025 586199710 /nfs/dbraw/zinc/19/97/10/586199710.db2.gz JMVZXACRJCPCFR-UHFFFAOYSA-N -1 3 246.354 3.265 20 30 BGEDHM CC(=NOCC(C)C)c1c(C)cc(C)cc1[O-] ZINC000799885486 586200651 /nfs/dbraw/zinc/20/06/51/586200651.db2.gz XIPPQCZAMUZYIC-UHFFFAOYSA-N -1 3 235.327 3.406 20 30 BGEDHM CC(=NOCC(F)F)c1c(C)cc(C)cc1[O-] ZINC000799886351 586199193 /nfs/dbraw/zinc/19/91/93/586199193.db2.gz YQFAYJUBDPHTDJ-UHFFFAOYSA-N -1 3 243.253 3.015 20 30 BGEDHM CC[C@@H](C)NN=C(C)c1c(C)cc(C)cc1[O-] ZINC000799886547 586201239 /nfs/dbraw/zinc/20/12/39/586201239.db2.gz UNTXCLXPMDOKBF-LLVKDONJSA-N -1 3 234.343 3.121 20 30 BGEDHM CC[C@H](C)NN=C(C)c1c(C)cc(C)cc1[O-] ZINC000799886548 586201383 /nfs/dbraw/zinc/20/13/83/586201383.db2.gz UNTXCLXPMDOKBF-NSHDSACASA-N -1 3 234.343 3.121 20 30 BGEDHM CC(C)(C/N=C\c1ccccc1[O-])C(F)(F)F ZINC000800790269 586228290 /nfs/dbraw/zinc/22/82/90/586228290.db2.gz HSBCGCRNFIBABY-APSNUPSMSA-N -1 3 245.244 3.400 20 30 BGEDHM CC(C)(C/N=C/c1ccccc1[O-])C(F)(F)F ZINC000800790270 586228589 /nfs/dbraw/zinc/22/85/89/586228589.db2.gz HSBCGCRNFIBABY-FRKPEAEDSA-N -1 3 245.244 3.400 20 30 BGEDHM CCC(C)(C)C1CCC(CC(=O)N[O-])CC1 ZINC000801602338 586266221 /nfs/dbraw/zinc/26/62/21/586266221.db2.gz CIDNARAJYIAWOU-UHFFFAOYSA-N -1 3 227.348 3.125 20 30 BGEDHM C=C(C)CCOC(=O)c1cccc(Cl)c1[O-] ZINC000803420593 586353904 /nfs/dbraw/zinc/35/39/04/586353904.db2.gz JTKBJIITMYJEHN-UHFFFAOYSA-N -1 3 240.686 3.169 20 30 BGEDHM C=C(C)CCOC(=O)c1cc([O-])ccc1Cl ZINC000803491764 586360843 /nfs/dbraw/zinc/36/08/43/586360843.db2.gz BHSRFTAHINFMFD-UHFFFAOYSA-N -1 3 240.686 3.169 20 30 BGEDHM CCOc1ccc(/C=N/[C@@H]2CCC2(C)C)c([O-])c1 ZINC000804597771 586401916 /nfs/dbraw/zinc/40/19/16/586401916.db2.gz FNKKSWJDTGWCGH-DWKHYPNZSA-N -1 3 247.338 3.398 20 30 BGEDHM CCOc1ccc(/C=N\[C@H]2CCC2(C)C)c([O-])c1 ZINC000804597773 586402159 /nfs/dbraw/zinc/40/21/59/586402159.db2.gz FNKKSWJDTGWCGH-FBKCMUNRSA-N -1 3 247.338 3.398 20 30 BGEDHM CCOc1ccc(/C=N/[C@H]2CCC2(C)C)c([O-])c1 ZINC000804597775 586401954 /nfs/dbraw/zinc/40/19/54/586401954.db2.gz FNKKSWJDTGWCGH-KNGSKEOJSA-N -1 3 247.338 3.398 20 30 BGEDHM CCOc1ccc(/C=N\[C@@H]2CCC2(C)C)c([O-])c1 ZINC000804597777 586402269 /nfs/dbraw/zinc/40/22/69/586402269.db2.gz FNKKSWJDTGWCGH-KWZJRMENSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@H]1CCC1(C)C ZINC000804598977 586401973 /nfs/dbraw/zinc/40/19/73/586401973.db2.gz SMTYDHHYUZHKOY-GRRFOWRYSA-N -1 3 233.311 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCC1(C)C ZINC000804598978 586401931 /nfs/dbraw/zinc/40/19/31/586401931.db2.gz SMTYDHHYUZHKOY-GULXKOIASA-N -1 3 233.311 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCC1(C)C ZINC000804598980 586402037 /nfs/dbraw/zinc/40/20/37/586402037.db2.gz SMTYDHHYUZHKOY-MLJKTZRHSA-N -1 3 233.311 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@H]1CCC1(C)C ZINC000804598982 586401940 /nfs/dbraw/zinc/40/19/40/586401940.db2.gz SMTYDHHYUZHKOY-NCPSJORJSA-N -1 3 233.311 3.008 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1C[C@@H]1C(F)F ZINC000804599144 586402335 /nfs/dbraw/zinc/40/23/35/586402335.db2.gz VQTFGOUVVWMVAH-QSWLAYHPSA-N -1 3 245.656 3.118 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1C[C@@H]1C(F)F ZINC000804599148 586401912 /nfs/dbraw/zinc/40/19/12/586401912.db2.gz VQTFGOUVVWMVAH-WMAMUGATSA-N -1 3 245.656 3.118 20 30 BGEDHM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[O-])CC1 ZINC000806397128 586411726 /nfs/dbraw/zinc/41/17/26/586411726.db2.gz NBLCWWIPCIJUEJ-CVZZAPKMSA-N -1 3 239.359 3.125 20 30 BGEDHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[O-])CC1 ZINC000806397129 586411543 /nfs/dbraw/zinc/41/15/43/586411543.db2.gz NBLCWWIPCIJUEJ-IQLKVPPVSA-N -1 3 239.359 3.125 20 30 BGEDHM [O-]c1ccccc1/C=N\CCC1(F)CCC1 ZINC000806549936 586414065 /nfs/dbraw/zinc/41/40/65/586414065.db2.gz CMBNEEQYJMZZDA-GDNBJRDFSA-N -1 3 221.275 3.093 20 30 BGEDHM [O-]c1ccccc1/C=N/CCC1(F)CCC1 ZINC000806549937 586414094 /nfs/dbraw/zinc/41/40/94/586414094.db2.gz CMBNEEQYJMZZDA-XNTDXEJSSA-N -1 3 221.275 3.093 20 30 BGEDHM CC(C)(CCC#N)C/N=C/c1ccccc1[O-] ZINC000806551146 586413809 /nfs/dbraw/zinc/41/38/09/586413809.db2.gz JCYXAUSSLLNDKJ-MHWRWJLKSA-N -1 3 230.311 3.141 20 30 BGEDHM CC(C)(CCC#N)C/N=C\c1ccccc1[O-] ZINC000806551147 586413980 /nfs/dbraw/zinc/41/39/80/586413980.db2.gz JCYXAUSSLLNDKJ-YBEGLDIGSA-N -1 3 230.311 3.141 20 30 BGEDHM COCC(C)(C)CCC/N=C/c1ccccc1[O-] ZINC000806551917 586413815 /nfs/dbraw/zinc/41/38/15/586413815.db2.gz YYOSWRYTEVOAAQ-LFIBNONCSA-N -1 3 249.354 3.264 20 30 BGEDHM CCON=C(C)c1cc(Cl)cc(C)c1[O-] ZINC000807961142 586452844 /nfs/dbraw/zinc/45/28/44/586452844.db2.gz DFJOWZHJSSOQRK-UHFFFAOYSA-N -1 3 227.691 3.115 20 30 BGEDHM CCCNN=C(C)c1cc(Cl)cc(C)c1[O-] ZINC000807963504 586453521 /nfs/dbraw/zinc/45/35/21/586453521.db2.gz WLHDGKADKJIJDN-UHFFFAOYSA-N -1 3 240.734 3.078 20 30 BGEDHM C=CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810539762 586540489 /nfs/dbraw/zinc/54/04/89/586540489.db2.gz VENVMDCOVQXEHG-UHFFFAOYSA-N -1 3 241.699 3.226 20 30 BGEDHM CCCCCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186422 586557037 /nfs/dbraw/zinc/55/70/37/586557037.db2.gz NAEONAIZZQINNB-UHFFFAOYSA-N -1 3 247.294 3.001 20 30 BGEDHM C=C(C)CCOC(=O)c1ccc([O-])c(CC)c1 ZINC000811305958 586557948 /nfs/dbraw/zinc/55/79/48/586557948.db2.gz ZLTUYSAVQLEXPP-UHFFFAOYSA-N -1 3 234.295 3.078 20 30 BGEDHM C=C(C)CNN=Cc1c([O-])ccc2ccccc21 ZINC000811651609 582481990 /nfs/dbraw/zinc/48/19/90/582481990.db2.gz GHCDKWKJJZPLCE-UHFFFAOYSA-N -1 3 240.306 3.045 20 30 BGEDHM CC(=NOC/C=C/Cl)c1ccc(C)cc1[O-] ZINC000811667689 586564895 /nfs/dbraw/zinc/56/48/95/586564895.db2.gz AYXIMXZHVLIJCU-ZCLSBPGGSA-N -1 3 239.702 3.194 20 30 BGEDHM CC(=NOC/C=C\Cl)c1ccc(C)cc1[O-] ZINC000811667690 586564978 /nfs/dbraw/zinc/56/49/78/586564978.db2.gz AYXIMXZHVLIJCU-ZCPCOFCISA-N -1 3 239.702 3.194 20 30 BGEDHM [O-]c1ccc(Cl)cc1C=NOC/C=C/Cl ZINC000811668097 586565057 /nfs/dbraw/zinc/56/50/57/586565057.db2.gz AYHYLHXYQOPRGH-AODHEHMHSA-N -1 3 246.093 3.149 20 30 BGEDHM [O-]c1ccc(Cl)cc1C=NOC/C=C\Cl ZINC000811668099 586565082 /nfs/dbraw/zinc/56/50/82/586565082.db2.gz AYHYLHXYQOPRGH-HDFQWQTNSA-N -1 3 246.093 3.149 20 30 BGEDHM CC(=NOC/C=C/Cl)c1cc(F)ccc1[O-] ZINC000811669667 586565431 /nfs/dbraw/zinc/56/54/31/586565431.db2.gz HQFKMYNJILXYSB-MSVOIAIGSA-N -1 3 243.665 3.024 20 30 BGEDHM CC(=NOC/C=C\Cl)c1cc(F)ccc1[O-] ZINC000811669668 586565351 /nfs/dbraw/zinc/56/53/51/586565351.db2.gz HQFKMYNJILXYSB-WLWPVCBVSA-N -1 3 243.665 3.024 20 30 BGEDHM [O-]c1cccc(Cl)c1C=NOC/C=C/Cl ZINC000811671998 586565608 /nfs/dbraw/zinc/56/56/08/586565608.db2.gz NKXMQTWQDGRYJO-UDZNDURXSA-N -1 3 246.093 3.149 20 30 BGEDHM [O-]c1cccc(Cl)c1C=NOC/C=C\Cl ZINC000811671999 586565554 /nfs/dbraw/zinc/56/55/54/586565554.db2.gz NKXMQTWQDGRYJO-ZCNAHOTGSA-N -1 3 246.093 3.149 20 30 BGEDHM CC(=NOC/C=C/Cl)c1ccc([O-])cc1F ZINC000811672028 643211476 /nfs/dbraw/zinc/21/14/76/643211476.db2.gz OHUUHWDILVDZAZ-MSVOIAIGSA-N -1 3 243.665 3.024 20 30 BGEDHM CC(=NOC/C=C\Cl)c1ccc([O-])cc1F ZINC000811672029 643211803 /nfs/dbraw/zinc/21/18/03/643211803.db2.gz OHUUHWDILVDZAZ-WLWPVCBVSA-N -1 3 243.665 3.024 20 30 BGEDHM C[C@@H]1CC(=NOC2CCC2)c2c1c(F)ccc2[O-] ZINC000812236205 644922917 /nfs/dbraw/zinc/92/29/17/644922917.db2.gz YMUDVUBYJGSPFO-MRVPVSSYSA-N -1 3 249.285 3.312 20 30 BGEDHM C[C@H]1CC(=NOC2CCC2)c2c1c(F)ccc2[O-] ZINC000812236207 644923156 /nfs/dbraw/zinc/92/31/56/644923156.db2.gz YMUDVUBYJGSPFO-QMMMGPOBSA-N -1 3 249.285 3.312 20 30 BGEDHM CC(=NOC1CCC1)c1cc(Cl)ccc1[O-] ZINC000812236223 582497502 /nfs/dbraw/zinc/49/75/02/582497502.db2.gz YZCJIZQHAUIUSL-UHFFFAOYSA-N -1 3 239.702 3.339 20 30 BGEDHM [O-]c1ccc2ccccc2c1C=NOC1CCC1 ZINC000812236825 643238575 /nfs/dbraw/zinc/23/85/75/643238575.db2.gz VUNKHKCPTLMREO-UHFFFAOYSA-N -1 3 241.290 3.448 20 30 BGEDHM CC(=NOC1CCC1)c1c(C)cc(C)cc1[O-] ZINC000812237354 586571877 /nfs/dbraw/zinc/57/18/77/586571877.db2.gz WAKMABAYNXORFZ-UHFFFAOYSA-N -1 3 233.311 3.302 20 30 BGEDHM CCC(=NOC1CCC1)c1ccc([O-])cc1 ZINC000812237369 586571918 /nfs/dbraw/zinc/57/19/18/586571918.db2.gz WZJFZUAKTLQLDL-UHFFFAOYSA-N -1 3 219.284 3.075 20 30 BGEDHM COc1cccc([O-])c1C=Nc1ccc(F)cc1 ZINC000812386824 586575187 /nfs/dbraw/zinc/57/51/87/586575187.db2.gz AYLGQKOAEDUFCX-UHFFFAOYSA-N -1 3 245.253 3.291 20 30 BGEDHM COc1cccc([O-])c1C=Nc1ccccc1C ZINC000812386843 586575474 /nfs/dbraw/zinc/57/54/74/586575474.db2.gz BDCGRISNGZBIML-UHFFFAOYSA-N -1 3 241.290 3.460 20 30 BGEDHM COc1cccc([O-])c1C=Nc1cccc(C)c1 ZINC000812386871 586575373 /nfs/dbraw/zinc/57/53/73/586575373.db2.gz BPHMQPMBQLKQSW-UHFFFAOYSA-N -1 3 241.290 3.460 20 30 BGEDHM COc1cccc([O-])c1C=Nc1ccccc1 ZINC000812386924 586575245 /nfs/dbraw/zinc/57/52/45/586575245.db2.gz CQUKZYJEERSYRA-UHFFFAOYSA-N -1 3 227.263 3.151 20 30 BGEDHM COc1cccc([O-])c1/C=N/Cc1ccccc1 ZINC000812386989 586575369 /nfs/dbraw/zinc/57/53/69/586575369.db2.gz FDELSYVMYLLEHA-LFIBNONCSA-N -1 3 241.290 3.020 20 30 BGEDHM COc1cccc([O-])c1/C=N\Cc1ccccc1 ZINC000812386990 586575469 /nfs/dbraw/zinc/57/54/69/586575469.db2.gz FDELSYVMYLLEHA-WJDWOHSUSA-N -1 3 241.290 3.020 20 30 BGEDHM COc1cccc([O-])c1/C=N\C1CCCCC1 ZINC000812387119 586575231 /nfs/dbraw/zinc/57/52/31/586575231.db2.gz GKOKHXOBZFBLSQ-GDNBJRDFSA-N -1 3 233.311 3.152 20 30 BGEDHM COc1cccc([O-])c1/C=N/C1CCCCC1 ZINC000812387120 586575490 /nfs/dbraw/zinc/57/54/90/586575490.db2.gz GKOKHXOBZFBLSQ-XNTDXEJSSA-N -1 3 233.311 3.152 20 30 BGEDHM COc1cccc([O-])c1C=Nc1ccccc1F ZINC000812387177 586575067 /nfs/dbraw/zinc/57/50/67/586575067.db2.gz HXNZFDUAMHOIOQ-UHFFFAOYSA-N -1 3 245.253 3.291 20 30 BGEDHM COc1cccc([O-])c1C=Nc1ccc(C)cc1 ZINC000812387304 586575496 /nfs/dbraw/zinc/57/54/96/586575496.db2.gz JKENDNZQHDSVPC-UHFFFAOYSA-N -1 3 241.290 3.460 20 30 BGEDHM COc1cccc([O-])c1C=Nc1cccc(F)c1 ZINC000812387960 586575425 /nfs/dbraw/zinc/57/54/25/586575425.db2.gz UCSFMIYUVQVQPY-UHFFFAOYSA-N -1 3 245.253 3.291 20 30 BGEDHM COc1cccc([O-])c1/C=N/CC1CCCCC1 ZINC000812390575 586575215 /nfs/dbraw/zinc/57/52/15/586575215.db2.gz ZYCPDDGAYQYZLK-LFIBNONCSA-N -1 3 247.338 3.400 20 30 BGEDHM COc1cccc([O-])c1/C=N\CC1CCCCC1 ZINC000812390576 586575031 /nfs/dbraw/zinc/57/50/31/586575031.db2.gz ZYCPDDGAYQYZLK-WJDWOHSUSA-N -1 3 247.338 3.400 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCCC[C@H]1C ZINC000812392373 586575347 /nfs/dbraw/zinc/57/53/47/586575347.db2.gz ZSVZMCSPPXRRHR-DORGZDKSSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCCC[C@H]1C ZINC000812392374 586575384 /nfs/dbraw/zinc/57/53/84/586575384.db2.gz ZSVZMCSPPXRRHR-GAXBVXIKSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCCC[C@@H]1C ZINC000812392375 586575447 /nfs/dbraw/zinc/57/54/47/586575447.db2.gz ZSVZMCSPPXRRHR-JVYTYZJESA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCCC[C@@H]1C ZINC000812392376 586575404 /nfs/dbraw/zinc/57/54/04/586575404.db2.gz ZSVZMCSPPXRRHR-KKUNFNHNSA-N -1 3 247.338 3.398 20 30 BGEDHM COc1cccc([O-])c1/C=N/Cc1cccs1 ZINC000812396106 586575183 /nfs/dbraw/zinc/57/51/83/586575183.db2.gz ZRXYBBNIKCRLMV-NTEUORMPSA-N -1 3 247.319 3.081 20 30 BGEDHM COc1cccc([O-])c1/C=N\Cc1cccs1 ZINC000812396107 586575181 /nfs/dbraw/zinc/57/51/81/586575181.db2.gz ZRXYBBNIKCRLMV-ZROIWOOFSA-N -1 3 247.319 3.081 20 30 BGEDHM CCCCCCCC(=O)[N-]OC/C=C\Cl ZINC000812406163 586576318 /nfs/dbraw/zinc/57/63/18/586576318.db2.gz NYCSIGBZFGKMPN-CLFYSBASSA-N -1 3 233.739 3.147 20 30 BGEDHM CCCCCCCC(=O)[N-]OC/C=C/Cl ZINC000812406164 586576186 /nfs/dbraw/zinc/57/61/86/586576186.db2.gz NYCSIGBZFGKMPN-VQHVLOKHSA-N -1 3 233.739 3.147 20 30 BGEDHM Cc1cc(C/N=C/c2ccccc2[O-])ccc1F ZINC000812411756 586576849 /nfs/dbraw/zinc/57/68/49/586576849.db2.gz AVCXQIUFRXMIHC-LICLKQGHSA-N -1 3 243.281 3.459 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/CCCCF ZINC000812445200 586577025 /nfs/dbraw/zinc/57/70/25/586577025.db2.gz UFZGYSKRESGKEK-RIYZIHGNSA-N -1 3 229.682 3.214 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\CCCCF ZINC000812445201 586577018 /nfs/dbraw/zinc/57/70/18/586577018.db2.gz UFZGYSKRESGKEK-ZSOIEALJSA-N -1 3 229.682 3.214 20 30 BGEDHM CC(=NNc1ccccc1F)c1ccccc1[O-] ZINC000812458723 586577681 /nfs/dbraw/zinc/57/76/81/586577681.db2.gz JDGXYZJDPJMRRJ-UHFFFAOYSA-N -1 3 244.269 3.367 20 30 BGEDHM CC(=NOCC1CC1)c1c(C)cc(C)cc1[O-] ZINC000814241979 586619317 /nfs/dbraw/zinc/61/93/17/586619317.db2.gz QJYSWQODVHIGPP-UHFFFAOYSA-N -1 3 233.311 3.160 20 30 BGEDHM CC(=NOCC1CC1)c1cc(Cl)ccc1[O-] ZINC000814243059 586619289 /nfs/dbraw/zinc/61/92/89/586619289.db2.gz 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233.311 3.241 20 30 BGEDHM CC(=NOCCC1CC1)c1cc(F)ccc1[O-] ZINC000814245565 586620296 /nfs/dbraw/zinc/62/02/96/586620296.db2.gz YBVLQHLOPLDOEA-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM CC(=NOCCC1CC1)c1ccc([O-])cc1F ZINC000814245741 586620272 /nfs/dbraw/zinc/62/02/72/586620272.db2.gz FZPBIFMJIVYVHI-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM [O-]c1cccc(Cl)c1C=NOCCC1CC1 ZINC000814245951 644940954 /nfs/dbraw/zinc/94/09/54/644940954.db2.gz PEEFXFBKFKAGDV-UHFFFAOYSA-N -1 3 239.702 3.196 20 30 BGEDHM [O-]c1ccc(Cl)cc1C=NOCCC1CC1 ZINC000814247148 586620465 /nfs/dbraw/zinc/62/04/65/586620465.db2.gz SZMGEVDKFFXIHY-UHFFFAOYSA-N -1 3 239.702 3.196 20 30 BGEDHM C=C(C)CNN=Cc1ccc2ccccc2c1[O-] ZINC000814932272 586653383 /nfs/dbraw/zinc/65/33/83/586653383.db2.gz BQHYYJROPBAAHN-UHFFFAOYSA-N -1 3 240.306 3.045 20 30 BGEDHM [O-]c1c(C=NOC2CCC2)ccc2ccccc21 ZINC000814936254 586654629 /nfs/dbraw/zinc/65/46/29/586654629.db2.gz HDQCERCTXWHOFC-UHFFFAOYSA-N -1 3 241.290 3.448 20 30 BGEDHM 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C=CCO[N-]C(=O)/C=C(\CC)c1ccc(C)cc1 ZINC000837048092 587850981 /nfs/dbraw/zinc/85/09/81/587850981.db2.gz MMMYAWLTETVJIC-ACCUITESSA-N -1 3 245.322 3.022 20 30 BGEDHM C=CCO[N-]C(=O)/C=C(/CC)c1ccc(C)cc1 ZINC000837048094 587850844 /nfs/dbraw/zinc/85/08/44/587850844.db2.gz MMMYAWLTETVJIC-QBFSEMIESA-N -1 3 245.322 3.022 20 30 BGEDHM C=CCO[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000837048097 587850800 /nfs/dbraw/zinc/85/08/00/587850800.db2.gz MMVAGRDFXUBVSK-CYBMUJFWSA-N -1 3 247.338 3.113 20 30 BGEDHM C=CCO[N-]C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000837048099 587851118 /nfs/dbraw/zinc/85/11/18/587851118.db2.gz MMVAGRDFXUBVSK-ZDUSSCGKSA-N -1 3 247.338 3.113 20 30 BGEDHM C=CCO[N-]C(=O)[C@](C)(CC)CCCCC ZINC000837048173 587850962 /nfs/dbraw/zinc/85/09/62/587850962.db2.gz MDFUVYYPYDLGLJ-CYBMUJFWSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCO[N-]C(=O)[C@@](C)(CC)CCCCC ZINC000837048175 587851052 /nfs/dbraw/zinc/85/10/52/587851052.db2.gz MDFUVYYPYDLGLJ-ZDUSSCGKSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCO[N-]C(=O)CC(C)(C)C1CCCCC1 ZINC000837049604 587852262 /nfs/dbraw/zinc/85/22/62/587852262.db2.gz KXVMMDRHVMAFSK-UHFFFAOYSA-N -1 3 239.359 3.217 20 30 BGEDHM C=CCCCCOC(=O)c1cc([O-])ccc1F ZINC000837866159 587901359 /nfs/dbraw/zinc/90/13/59/587901359.db2.gz YZWFFVQHWBYJDC-UHFFFAOYSA-N -1 3 238.258 3.044 20 30 BGEDHM C#CCC[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000839035434 585085401 /nfs/dbraw/zinc/08/54/01/585085401.db2.gz YHJWMYQMRSKCJU-SECBINFHSA-N -1 3 247.319 3.188 20 30 BGEDHM C#CCC[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000839035436 585085385 /nfs/dbraw/zinc/08/53/85/585085385.db2.gz YHJWMYQMRSKCJU-VIFPVBQESA-N -1 3 247.319 3.188 20 30 BGEDHM CC(=NOCc1ccccc1)c1ccc([O-])cc1 ZINC000839418408 585103127 /nfs/dbraw/zinc/10/31/27/585103127.db2.gz QPJXWMCYNMSHLW-UHFFFAOYSA-N -1 3 241.290 3.333 20 30 BGEDHM CC(=NOCc1ccccc1)c1ccccc1[O-] ZINC000839418477 585103158 /nfs/dbraw/zinc/10/31/58/585103158.db2.gz SWNTVRLRBUALCS-UHFFFAOYSA-N -1 3 241.290 3.333 20 30 BGEDHM CC(F)(F)C/N=C/c1cc(Cl)ccc1[O-] ZINC000840705426 587917147 /nfs/dbraw/zinc/91/71/47/587917147.db2.gz GAVSUBTVIJQZLX-LHHJGKSTSA-N -1 3 233.645 3.120 20 30 BGEDHM CC(F)(F)CCC/N=C/c1ccccc1[O-] ZINC000840706274 587917194 /nfs/dbraw/zinc/91/71/94/587917194.db2.gz HXKQPPQYTOXMMP-OQLLNIDSSA-N -1 3 227.254 3.247 20 30 BGEDHM COCC1(CC/N=C/c2ccccc2[O-])CCC1 ZINC000840706696 583846865 /nfs/dbraw/zinc/84/68/65/583846865.db2.gz NQSYERRTLMAUDS-LFIBNONCSA-N -1 3 247.338 3.018 20 30 BGEDHM COCC1(CC/N=C\c2ccccc2[O-])CCC1 ZINC000840706697 583846874 /nfs/dbraw/zinc/84/68/74/583846874.db2.gz NQSYERRTLMAUDS-WJDWOHSUSA-N -1 3 247.338 3.018 20 30 BGEDHM C[C@H](F)CC/N=C/c1cc(Cl)ccc1[O-] ZINC000840707114 583847374 /nfs/dbraw/zinc/84/73/74/583847374.db2.gz SPSBHVNTYZXAMN-QZNXTOQNSA-N -1 3 229.682 3.213 20 30 BGEDHM C[C@@H](F)CC/N=C/c1cc(Cl)ccc1[O-] ZINC000840707168 583847378 /nfs/dbraw/zinc/84/73/78/583847378.db2.gz SPSBHVNTYZXAMN-WPIAHNSYSA-N -1 3 229.682 3.213 20 30 BGEDHM CCOC1(C/N=C/c2ccccc2[O-])CCCC1 ZINC000840707871 583850121 /nfs/dbraw/zinc/85/01/21/583850121.db2.gz YVQOLLBYPAKBRJ-LFIBNONCSA-N -1 3 247.338 3.160 20 30 BGEDHM CCOC1(C/N=C\c2ccccc2[O-])CCCC1 ZINC000840707873 583850227 /nfs/dbraw/zinc/85/02/27/583850227.db2.gz YVQOLLBYPAKBRJ-WJDWOHSUSA-N -1 3 247.338 3.160 20 30 BGEDHM C=CC(C)(C)C/N=C/c1ccccc1[O-] ZINC000840707942 583850260 /nfs/dbraw/zinc/85/02/60/583850260.db2.gz BIJPTBJPPBQIRR-NTEUORMPSA-N -1 3 203.285 3.023 20 30 BGEDHM [O-]c1ccccc1/C=N/CCC1CC(F)(F)C1 ZINC000840708481 587917070 /nfs/dbraw/zinc/91/70/70/587917070.db2.gz BQZITWQUWXULAH-CXUHLZMHSA-N -1 3 239.265 3.247 20 30 BGEDHM [O-]c1ccccc1/C=N\CCC1CC(F)(F)C1 ZINC000840708484 587917090 /nfs/dbraw/zinc/91/70/90/587917090.db2.gz BQZITWQUWXULAH-SXGWCWSVSA-N -1 3 239.265 3.247 20 30 BGEDHM CCO[C@@H]1CCCC[C@H]1/N=C\c1ccccc1[O-] ZINC000840708678 587916998 /nfs/dbraw/zinc/91/69/98/587916998.db2.gz CVQRSRXYKLZLOX-KIWKMNIMSA-N -1 3 247.338 3.159 20 30 BGEDHM CCO[C@@H]1CCCC[C@H]1/N=C/c1ccccc1[O-] ZINC000840708680 587917232 /nfs/dbraw/zinc/91/72/32/587917232.db2.gz CVQRSRXYKLZLOX-ZTUFEDMWSA-N -1 3 247.338 3.159 20 30 BGEDHM CCC(C)(C)OCC/N=C/c1ccccc1[O-] ZINC000840708911 587916926 /nfs/dbraw/zinc/91/69/26/587916926.db2.gz FTTTYEPKOKRGLP-RVDMUPIBSA-N -1 3 235.327 3.016 20 30 BGEDHM CC(C)(C/N=C/c1ccccc1[O-])OCC1CC1 ZINC000840709043 587917135 /nfs/dbraw/zinc/91/71/35/587917135.db2.gz AKJWASRQEZIGPB-CXUHLZMHSA-N -1 3 247.338 3.016 20 30 BGEDHM COCC1(C/N=C/c2ccccc2[O-])CCCC1 ZINC000840709280 583855584 /nfs/dbraw/zinc/85/55/84/583855584.db2.gz IJXDBGBMSWZUQZ-MHWRWJLKSA-N -1 3 247.338 3.018 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709662 583860646 /nfs/dbraw/zinc/86/06/46/583860646.db2.gz FGEMIIIBDCNQHX-CXSSCSTMSA-N -1 3 245.322 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709668 583860422 /nfs/dbraw/zinc/86/04/22/583860422.db2.gz FGEMIIIBDCNQHX-ISVUSNJMSA-N -1 3 245.322 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709670 583860777 /nfs/dbraw/zinc/86/07/77/583860777.db2.gz FGEMIIIBDCNQHX-URWBGMNZSA-N -1 3 245.322 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709679 583860210 /nfs/dbraw/zinc/86/02/10/583860210.db2.gz FGEMIIIBDCNQHX-VETDHQSRSA-N -1 3 245.322 3.008 20 30 BGEDHM [O-]c1ccccc1/C=N/C[C@@H]1CCCC1(F)F ZINC000840709907 587917334 /nfs/dbraw/zinc/91/73/34/587917334.db2.gz OYBQGGNYOKOUOS-AXLKIAQESA-N -1 3 239.265 3.247 20 30 BGEDHM [O-]c1ccccc1/C=N/C[C@H]1CCCC1(F)F ZINC000840709908 587917584 /nfs/dbraw/zinc/91/75/84/587917584.db2.gz OYBQGGNYOKOUOS-FNQVVVRFSA-N -1 3 239.265 3.247 20 30 BGEDHM [O-]c1ccccc1/C=N\C[C@@H]1CCCC1(F)F ZINC000840709909 587917826 /nfs/dbraw/zinc/91/78/26/587917826.db2.gz OYBQGGNYOKOUOS-FSKGUYTJSA-N -1 3 239.265 3.247 20 30 BGEDHM [O-]c1ccccc1/C=N\C[C@H]1CCCC1(F)F ZINC000840709910 583861187 /nfs/dbraw/zinc/86/11/87/583861187.db2.gz OYBQGGNYOKOUOS-OUZNOSRWSA-N -1 3 239.265 3.247 20 30 BGEDHM CC1(C)C[C@@H](C/N=C/c2ccccc2[O-])CCO1 ZINC000840710287 583864557 /nfs/dbraw/zinc/86/45/57/583864557.db2.gz PRYWAQYWRWWLMT-JASJWYONSA-N -1 3 247.338 3.016 20 30 BGEDHM CC1(C)C[C@H](C/N=C/c2ccccc2[O-])CCO1 ZINC000840710290 583863591 /nfs/dbraw/zinc/86/35/91/583863591.db2.gz PRYWAQYWRWWLMT-PILJQMSFSA-N -1 3 247.338 3.016 20 30 BGEDHM C=CC(C)(C)C/N=C\c1c([O-])cccc1OC ZINC000840710757 587917697 /nfs/dbraw/zinc/91/76/97/587917697.db2.gz UQGIUNBPMQAWGU-DHDCSXOGSA-N -1 3 233.311 3.032 20 30 BGEDHM C=CC(C)(C)C/N=C/c1c([O-])cccc1OC ZINC000840710758 587917867 /nfs/dbraw/zinc/91/78/67/587917867.db2.gz UQGIUNBPMQAWGU-OQLLNIDSSA-N -1 3 233.311 3.032 20 30 BGEDHM COCC1CCC(/N=C/c2ccccc2[O-])CC1 ZINC000840711791 587917621 /nfs/dbraw/zinc/91/76/21/587917621.db2.gz CEMCTARHNCOCOK-MHWRWJLKSA-N -1 3 247.338 3.016 20 30 BGEDHM COCC1CCC(/N=C\c2ccccc2[O-])CC1 ZINC000840711792 587917577 /nfs/dbraw/zinc/91/75/77/587917577.db2.gz CEMCTARHNCOCOK-YBEGLDIGSA-N -1 3 247.338 3.016 20 30 BGEDHM C[C@@H](C/N=C/c1ccccc1[O-])CC(F)(F)F ZINC000840712224 587917690 /nfs/dbraw/zinc/91/76/90/587917690.db2.gz HBOMUVGAHDVFAI-PTPOTIKZSA-N -1 3 245.244 3.400 20 30 BGEDHM C[C@H](C/N=C/c1ccccc1[O-])CC(F)(F)F ZINC000840712225 587917853 /nfs/dbraw/zinc/91/78/53/587917853.db2.gz HBOMUVGAHDVFAI-VKPPLCHCSA-N -1 3 245.244 3.400 20 30 BGEDHM [O-]c1ccccc1/C=N\[C@@H]1CCCC[C@H]1F ZINC000840714047 583885527 /nfs/dbraw/zinc/88/55/27/583885527.db2.gz WWXQORUVYZFKLW-OCTNGBJJSA-N -1 3 221.275 3.092 20 30 BGEDHM [O-]c1ccccc1/C=N/[C@@H]1CCCC[C@H]1F ZINC000840714048 583885669 /nfs/dbraw/zinc/88/56/69/583885669.db2.gz WWXQORUVYZFKLW-ZOPJJOQRSA-N -1 3 221.275 3.092 20 30 BGEDHM C=C(Cl)CNCc1c([O-])cc(C)cc1Cl ZINC000840900859 587928610 /nfs/dbraw/zinc/92/86/10/587928610.db2.gz XOOAVKIHDVUDFF-UHFFFAOYSA-N -1 3 246.137 3.196 20 30 BGEDHM C=C(C)CN(C)Cc1c([O-])cc(C)cc1Cl ZINC000840935721 587930601 /nfs/dbraw/zinc/93/06/01/587930601.db2.gz BMGFXIONLPFFCC-UHFFFAOYSA-N -1 3 239.746 3.362 20 30 BGEDHM Cc1cc([O-])c(C=NOC2CCC2)c(Cl)c1 ZINC000841638359 587964729 /nfs/dbraw/zinc/96/47/29/587964729.db2.gz BWFYWKJRKSWOCP-UHFFFAOYSA-N -1 3 239.702 3.257 20 30 BGEDHM Cc1cc([O-])c(C=NOC(C)C)c(Cl)c1 ZINC000841640794 582909118 /nfs/dbraw/zinc/90/91/18/582909118.db2.gz JFRFOFSLSKCGPJ-UHFFFAOYSA-N -1 3 227.691 3.113 20 30 BGEDHM C=C(Cl)CN[C@H](C)c1ccc(Cl)cc1[O-] ZINC000841749758 587973803 /nfs/dbraw/zinc/97/38/03/587973803.db2.gz QARHIDMZCJAYEQ-MRVPVSSYSA-N -1 3 246.137 3.449 20 30 BGEDHM C=C(Cl)CN[C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841749759 587973660 /nfs/dbraw/zinc/97/36/60/587973660.db2.gz QARHIDMZCJAYEQ-QMMMGPOBSA-N -1 3 246.137 3.449 20 30 BGEDHM C=CCCCCCO[N-]C(=O)CC(C)(C)C ZINC000842061007 584129828 /nfs/dbraw/zinc/12/98/28/584129828.db2.gz GPZTUWYBRGFKHN-UHFFFAOYSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCCCSCc1nc(C)cc(=O)[n-]1 ZINC000842174583 583927374 /nfs/dbraw/zinc/92/73/74/583927374.db2.gz FRQBFFUPNHTXOR-UHFFFAOYSA-N -1 3 238.356 3.080 20 30 BGEDHM CCCON=C(C)c1c(C)cc(C)cc1[O-] ZINC000842551197 584966403 /nfs/dbraw/zinc/96/64/03/584966403.db2.gz PLCDGRVZVSXNNT-UHFFFAOYSA-N -1 3 221.300 3.160 20 30 BGEDHM CCCON=C(C)c1cc(Cl)ccc1[O-] ZINC000842566277 588043164 /nfs/dbraw/zinc/04/31/64/588043164.db2.gz ZZKVJTFQXSHVSW-UHFFFAOYSA-N -1 3 227.691 3.196 20 30 BGEDHM N#CC(=C([O-])C=CC1CCCC1)c1ccccn1 ZINC000842686087 588052600 /nfs/dbraw/zinc/05/26/00/588052600.db2.gz ZKHORSYYXXBDDG-LJTDUEICSA-N -1 3 240.306 3.004 20 30 BGEDHM N#CC(=C([O-])C=CC1CCCC1)c1ccccn1 ZINC000842686088 588052419 /nfs/dbraw/zinc/05/24/19/588052419.db2.gz ZKHORSYYXXBDDG-MMQHEFTJSA-N -1 3 240.306 3.004 20 30 BGEDHM N#CC(=C([O-])C=CC1CCCC1)c1ccccn1 ZINC000842686089 588052210 /nfs/dbraw/zinc/05/22/10/588052210.db2.gz ZKHORSYYXXBDDG-XEHSLEBBSA-N -1 3 240.306 3.004 20 30 BGEDHM N#CC(=C([O-])C=CC1CCCC1)c1ccccn1 ZINC000842686090 588052585 /nfs/dbraw/zinc/05/25/85/588052585.db2.gz ZKHORSYYXXBDDG-YXVBKTCISA-N -1 3 240.306 3.004 20 30 BGEDHM CC(C)(C)O[C@H]1C[C@@H](/N=C/c2ccccc2[O-])C1 ZINC000843263643 588096590 /nfs/dbraw/zinc/09/65/90/588096590.db2.gz KLTHOYSBWZAZOX-DFHVEKNXSA-N -1 3 247.338 3.157 20 30 BGEDHM CC(C)(C)O[C@H]1C[C@@H](/N=C\c2ccccc2[O-])C1 ZINC000843263645 582928070 /nfs/dbraw/zinc/92/80/70/582928070.db2.gz KLTHOYSBWZAZOX-WNYGOXNBSA-N -1 3 247.338 3.157 20 30 BGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000843264990 588096572 /nfs/dbraw/zinc/09/65/72/588096572.db2.gz RRSGSJNQMZBAHG-FEMVOYPESA-N -1 3 245.322 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000843264993 588096784 /nfs/dbraw/zinc/09/67/84/588096784.db2.gz RRSGSJNQMZBAHG-PQTNMZOJSA-N -1 3 245.322 3.008 20 30 BGEDHM [O-]c1ccccc1/C=N/CC1CCC(F)CC1 ZINC000843265039 588096569 /nfs/dbraw/zinc/09/65/69/588096569.db2.gz SWGZELKKHVCZRS-MHWRWJLKSA-N -1 3 235.302 3.339 20 30 BGEDHM [O-]c1ccccc1/C=N\CC1CCC(F)CC1 ZINC000843265040 588096767 /nfs/dbraw/zinc/09/67/67/588096767.db2.gz SWGZELKKHVCZRS-YBEGLDIGSA-N -1 3 235.302 3.339 20 30 BGEDHM C[C@H](C/N=C/c1ccccc1[O-])CC(F)F ZINC000843266827 588096376 /nfs/dbraw/zinc/09/63/76/588096376.db2.gz OYKCULGPVRZGTF-HVIDBACLSA-N -1 3 227.254 3.102 20 30 BGEDHM C[C@@H](C/N=C/c1ccccc1[O-])CC(F)F ZINC000843266828 588096644 /nfs/dbraw/zinc/09/66/44/588096644.db2.gz OYKCULGPVRZGTF-KOLYXTFFSA-N -1 3 227.254 3.102 20 30 BGEDHM COc1cccc([O-])c1/C=N/C1CC2(CCC2)C1 ZINC000844269181 588178128 /nfs/dbraw/zinc/17/81/28/588178128.db2.gz ASMBPNNIADRQNW-MHWRWJLKSA-N -1 3 245.322 3.152 20 30 BGEDHM COc1cccc([O-])c1/C=N\C1CC2(CCC2)C1 ZINC000844269185 588178423 /nfs/dbraw/zinc/17/84/23/588178423.db2.gz ASMBPNNIADRQNW-YBEGLDIGSA-N -1 3 245.322 3.152 20 30 BGEDHM [O-]c1ccccc1/C=N\C1CC2(CCC2)C1 ZINC000844270740 588178518 /nfs/dbraw/zinc/17/85/18/588178518.db2.gz JQPCDTQUAPUAEC-GDNBJRDFSA-N -1 3 215.296 3.144 20 30 BGEDHM [O-]c1ccccc1/C=N/C1CC2(CCC2)C1 ZINC000844270742 582578126 /nfs/dbraw/zinc/57/81/26/582578126.db2.gz JQPCDTQUAPUAEC-XNTDXEJSSA-N -1 3 215.296 3.144 20 30 BGEDHM CS[C@@H]1CCCC[C@H]1/N=C/c1ccccc1[O-] ZINC000844271150 588178332 /nfs/dbraw/zinc/17/83/32/588178332.db2.gz NHGZADGPGQGNRV-LHVWTWQCSA-N -1 3 249.379 3.485 20 30 BGEDHM CS[C@@H]1CCCC[C@H]1/N=C\c1ccccc1[O-] ZINC000844271151 588178355 /nfs/dbraw/zinc/17/83/55/588178355.db2.gz NHGZADGPGQGNRV-XBGOXGAMSA-N -1 3 249.379 3.485 20 30 BGEDHM C=C(C)CO[N-]C(=O)Nc1ccc(C(C)C)cc1 ZINC000844481242 588199129 /nfs/dbraw/zinc/19/91/29/588199129.db2.gz JJIIOKMYYBAVTJ-UHFFFAOYSA-N -1 3 248.326 3.439 20 30 BGEDHM C=C(C)CON=C([O-])Nc1ccc(C(C)C)cc1 ZINC000844481242 588199128 /nfs/dbraw/zinc/19/91/28/588199128.db2.gz JJIIOKMYYBAVTJ-UHFFFAOYSA-N -1 3 248.326 3.439 20 30 BGEDHM C=C(C)CO[N-]C(=O)Nc1c(C)cccc1CC ZINC000844481942 588199041 /nfs/dbraw/zinc/19/90/41/588199041.db2.gz KPXZJEFYAKAREY-UHFFFAOYSA-N -1 3 248.326 3.187 20 30 BGEDHM C=C(C)CON=C([O-])Nc1c(C)cccc1CC ZINC000844481942 588199040 /nfs/dbraw/zinc/19/90/40/588199040.db2.gz KPXZJEFYAKAREY-UHFFFAOYSA-N -1 3 248.326 3.187 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1c(C)cccc1CC ZINC000844482387 588198865 /nfs/dbraw/zinc/19/88/65/588198865.db2.gz MGCHLRSPYWSRTH-LLVKDONJSA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@@H](C)ON=C([O-])Nc1c(C)cccc1CC ZINC000844482387 588198864 /nfs/dbraw/zinc/19/88/64/588198864.db2.gz MGCHLRSPYWSRTH-LLVKDONJSA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)Nc1c(C)cccc1CC ZINC000844482388 588198909 /nfs/dbraw/zinc/19/89/09/588198909.db2.gz MGCHLRSPYWSRTH-NSHDSACASA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@H](C)ON=C([O-])Nc1c(C)cccc1CC ZINC000844482388 588198908 /nfs/dbraw/zinc/19/89/08/588198908.db2.gz MGCHLRSPYWSRTH-NSHDSACASA-N -1 3 248.326 3.185 20 30 BGEDHM C=C(C)CO[N-]C(=O)Nc1c(C)cc(C)cc1C ZINC000844482390 588198992 /nfs/dbraw/zinc/19/89/92/588198992.db2.gz MGPWIKDCHHZEIY-UHFFFAOYSA-N -1 3 248.326 3.241 20 30 BGEDHM C=C(C)CON=C([O-])Nc1c(C)cc(C)cc1C ZINC000844482390 588198991 /nfs/dbraw/zinc/19/89/91/588198991.db2.gz MGPWIKDCHHZEIY-UHFFFAOYSA-N -1 3 248.326 3.241 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(C(C)C)cc1 ZINC000844483267 588198919 /nfs/dbraw/zinc/19/89/19/588198919.db2.gz VRXLONPOGRPJLE-LLVKDONJSA-N -1 3 248.326 3.438 20 30 BGEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(C(C)C)cc1 ZINC000844483267 588198918 /nfs/dbraw/zinc/19/89/18/588198918.db2.gz VRXLONPOGRPJLE-LLVKDONJSA-N -1 3 248.326 3.438 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(C(C)C)cc1 ZINC000844483269 588199125 /nfs/dbraw/zinc/19/91/25/588199125.db2.gz VRXLONPOGRPJLE-NSHDSACASA-N -1 3 248.326 3.438 20 30 BGEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(C(C)C)cc1 ZINC000844483269 588199124 /nfs/dbraw/zinc/19/91/24/588199124.db2.gz VRXLONPOGRPJLE-NSHDSACASA-N -1 3 248.326 3.438 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccccc1C(C)C ZINC000844483473 588198987 /nfs/dbraw/zinc/19/89/87/588198987.db2.gz MMOPNVYIKZABQY-LLVKDONJSA-N -1 3 248.326 3.438 20 30 BGEDHM C=C[C@@H](C)ON=C([O-])Nc1ccccc1C(C)C ZINC000844483473 588198984 /nfs/dbraw/zinc/19/89/84/588198984.db2.gz MMOPNVYIKZABQY-LLVKDONJSA-N -1 3 248.326 3.438 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccccc1C(C)C ZINC000844483475 588199052 /nfs/dbraw/zinc/19/90/52/588199052.db2.gz MMOPNVYIKZABQY-NSHDSACASA-N -1 3 248.326 3.438 20 30 BGEDHM C=C[C@H](C)ON=C([O-])Nc1ccccc1C(C)C ZINC000844483475 588199051 /nfs/dbraw/zinc/19/90/51/588199051.db2.gz MMOPNVYIKZABQY-NSHDSACASA-N -1 3 248.326 3.438 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1c(C)cc(C)cc1C ZINC000844483868 588199002 /nfs/dbraw/zinc/19/90/02/588199002.db2.gz VVFRPRNORPOFGU-GFCCVEGCSA-N -1 3 248.326 3.239 20 30 BGEDHM C=C[C@@H](C)ON=C([O-])Nc1c(C)cc(C)cc1C ZINC000844483868 588199001 /nfs/dbraw/zinc/19/90/01/588199001.db2.gz VVFRPRNORPOFGU-GFCCVEGCSA-N -1 3 248.326 3.239 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)Nc1c(C)cc(C)cc1C ZINC000844483869 588198818 /nfs/dbraw/zinc/19/88/18/588198818.db2.gz VVFRPRNORPOFGU-LBPRGKRZSA-N -1 3 248.326 3.239 20 30 BGEDHM C=C[C@H](C)ON=C([O-])Nc1c(C)cc(C)cc1C ZINC000844483869 588198817 /nfs/dbraw/zinc/19/88/17/588198817.db2.gz VVFRPRNORPOFGU-LBPRGKRZSA-N -1 3 248.326 3.239 20 30 BGEDHM C=C(C)CO[N-]C(=O)Nc1ccccc1C(C)C ZINC000844484172 588198978 /nfs/dbraw/zinc/19/89/78/588198978.db2.gz SDFARCYUQMDGPV-UHFFFAOYSA-N -1 3 248.326 3.439 20 30 BGEDHM C=C(C)CON=C([O-])Nc1ccccc1C(C)C ZINC000844484172 588198976 /nfs/dbraw/zinc/19/89/76/588198976.db2.gz SDFARCYUQMDGPV-UHFFFAOYSA-N -1 3 248.326 3.439 20 30 BGEDHM C=C(C)CO[N-]C(=O)Nc1ccc(CC)c(C)c1 ZINC000844600362 588207499 /nfs/dbraw/zinc/20/74/99/588207499.db2.gz DTCXQZRUMPESOG-UHFFFAOYSA-N -1 3 248.326 3.187 20 30 BGEDHM C=C(C)CON=C([O-])Nc1ccc(CC)c(C)c1 ZINC000844600362 588207498 /nfs/dbraw/zinc/20/74/98/588207498.db2.gz DTCXQZRUMPESOG-UHFFFAOYSA-N -1 3 248.326 3.187 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(CC)c(C)c1 ZINC000844600711 588207460 /nfs/dbraw/zinc/20/74/60/588207460.db2.gz HJOLEHLOJOCAMJ-LLVKDONJSA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(CC)c(C)c1 ZINC000844600711 588207459 /nfs/dbraw/zinc/20/74/59/588207459.db2.gz HJOLEHLOJOCAMJ-LLVKDONJSA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(CC)c(C)c1 ZINC000844600713 588207338 /nfs/dbraw/zinc/20/73/38/588207338.db2.gz HJOLEHLOJOCAMJ-NSHDSACASA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(CC)c(C)c1 ZINC000844600713 588207336 /nfs/dbraw/zinc/20/73/36/588207336.db2.gz HJOLEHLOJOCAMJ-NSHDSACASA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(C2CC2)cc1 ZINC000844604178 588207799 /nfs/dbraw/zinc/20/77/99/588207799.db2.gz OOQZQZVRIVHLNA-JTQLQIEISA-N -1 3 246.310 3.192 20 30 BGEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(C2CC2)cc1 ZINC000844604178 588207798 /nfs/dbraw/zinc/20/77/98/588207798.db2.gz OOQZQZVRIVHLNA-JTQLQIEISA-N -1 3 246.310 3.192 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(C2CC2)cc1 ZINC000844604179 588207810 /nfs/dbraw/zinc/20/78/10/588207810.db2.gz OOQZQZVRIVHLNA-SNVBAGLBSA-N -1 3 246.310 3.192 20 30 BGEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(C2CC2)cc1 ZINC000844604179 588207809 /nfs/dbraw/zinc/20/78/09/588207809.db2.gz OOQZQZVRIVHLNA-SNVBAGLBSA-N -1 3 246.310 3.192 20 30 BGEDHM C=C(C)CO[N-]C(=O)Nc1ccc(C2CC2)cc1 ZINC000844604350 582598679 /nfs/dbraw/zinc/59/86/79/582598679.db2.gz RAQSQVFFDKIIRV-UHFFFAOYSA-N -1 3 246.310 3.193 20 30 BGEDHM C=C(C)CON=C([O-])Nc1ccc(C2CC2)cc1 ZINC000844604350 582598677 /nfs/dbraw/zinc/59/86/77/582598677.db2.gz RAQSQVFFDKIIRV-UHFFFAOYSA-N -1 3 246.310 3.193 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(C)c(CC)c1 ZINC000844606697 588207594 /nfs/dbraw/zinc/20/75/94/588207594.db2.gz FQNYCOUSXYOVDV-LLVKDONJSA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(C)c(CC)c1 ZINC000844606697 588207593 /nfs/dbraw/zinc/20/75/93/588207593.db2.gz FQNYCOUSXYOVDV-LLVKDONJSA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(C)c(CC)c1 ZINC000844606698 588207659 /nfs/dbraw/zinc/20/76/59/588207659.db2.gz FQNYCOUSXYOVDV-NSHDSACASA-N -1 3 248.326 3.185 20 30 BGEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(C)c(CC)c1 ZINC000844606698 588207657 /nfs/dbraw/zinc/20/76/57/588207657.db2.gz FQNYCOUSXYOVDV-NSHDSACASA-N -1 3 248.326 3.185 20 30 BGEDHM C=C(C)CO[N-]C(=O)Nc1ccc(C)c(CC)c1 ZINC000844607155 588207830 /nfs/dbraw/zinc/20/78/30/588207830.db2.gz RLPCARCCOUOCSX-UHFFFAOYSA-N -1 3 248.326 3.187 20 30 BGEDHM C=C(C)CON=C([O-])Nc1ccc(C)c(CC)c1 ZINC000844607155 588207828 /nfs/dbraw/zinc/20/78/28/588207828.db2.gz RLPCARCCOUOCSX-UHFFFAOYSA-N -1 3 248.326 3.187 20 30 BGEDHM C=C(C)CON=C(C)c1cc(C)ccc1[O-] ZINC000844614192 588207841 /nfs/dbraw/zinc/20/78/41/588207841.db2.gz AYDJZERPHDFLLY-UHFFFAOYSA-N -1 3 219.284 3.017 20 30 BGEDHM C=C(C)CON=C(CC)c1ccc([O-])cc1 ZINC000844615654 588207960 /nfs/dbraw/zinc/20/79/60/588207960.db2.gz XKXYHIUOTOJWRQ-UHFFFAOYSA-N -1 3 219.284 3.099 20 30 BGEDHM C=C(C)CON=C(C)c1cc(Cl)ccc1[O-] ZINC000844615692 588207847 /nfs/dbraw/zinc/20/78/47/588207847.db2.gz YKWXFGYOFXJGRN-UHFFFAOYSA-N -1 3 239.702 3.362 20 30 BGEDHM C=C(C)CON=C(C)c1ccc(C)cc1[O-] ZINC000844617848 588208111 /nfs/dbraw/zinc/20/81/11/588208111.db2.gz TXXKRWPMXBMAEN-UHFFFAOYSA-N -1 3 219.284 3.017 20 30 BGEDHM C=C(C)CON=C(C)c1c(C)cc(C)cc1[O-] ZINC000844618178 588208518 /nfs/dbraw/zinc/20/85/18/588208518.db2.gz KQTGEUBLCFFZCF-UHFFFAOYSA-N -1 3 233.311 3.326 20 30 BGEDHM C=C[C@H](C)ON=C(C)c1ccc(C)cc1[O-] ZINC000844623041 588210456 /nfs/dbraw/zinc/21/04/56/588210456.db2.gz DMOXPFCIGYIWAA-JTQLQIEISA-N -1 3 219.284 3.016 20 30 BGEDHM C=C[C@@H](C)ON=C(C)c1ccc(C)cc1[O-] ZINC000844623045 588210279 /nfs/dbraw/zinc/21/02/79/588210279.db2.gz DMOXPFCIGYIWAA-SNVBAGLBSA-N -1 3 219.284 3.016 20 30 BGEDHM C=C[C@H](C)ON=C(CC)c1ccc([O-])cc1 ZINC000844623057 588210459 /nfs/dbraw/zinc/21/04/59/588210459.db2.gz JSZDUNORNSJYHG-JTQLQIEISA-N -1 3 219.284 3.097 20 30 BGEDHM C=C[C@@H](C)ON=C(CC)c1ccc([O-])cc1 ZINC000844623058 588210452 /nfs/dbraw/zinc/21/04/52/588210452.db2.gz JSZDUNORNSJYHG-SNVBAGLBSA-N -1 3 219.284 3.097 20 30 BGEDHM C=C[C@@H](C)ON=C(C)c1cc(Cl)ccc1[O-] ZINC000844623660 588210613 /nfs/dbraw/zinc/21/06/13/588210613.db2.gz PQHBEULGERDDFL-MRVPVSSYSA-N -1 3 239.702 3.361 20 30 BGEDHM C=C[C@H](C)ON=C(C)c1cc(Cl)ccc1[O-] ZINC000844623661 588210722 /nfs/dbraw/zinc/21/07/22/588210722.db2.gz PQHBEULGERDDFL-QMMMGPOBSA-N -1 3 239.702 3.361 20 30 BGEDHM C=C[C@@H](C)ON=C(C)c1c(C)cc(C)cc1[O-] ZINC000844625936 588211249 /nfs/dbraw/zinc/21/12/49/588211249.db2.gz PVXHUKVQVLWDNT-LLVKDONJSA-N -1 3 233.311 3.324 20 30 BGEDHM C=C[C@H](C)ON=C(C)c1c(C)cc(C)cc1[O-] ZINC000844625938 588210948 /nfs/dbraw/zinc/21/09/48/588210948.db2.gz PVXHUKVQVLWDNT-NSHDSACASA-N -1 3 233.311 3.324 20 30 BGEDHM C=C[C@H](C)ON=C(C)c1cc(C)ccc1[O-] ZINC000844626177 588211663 /nfs/dbraw/zinc/21/16/63/588211663.db2.gz ZPLXLYZLMSBTJA-JTQLQIEISA-N -1 3 219.284 3.016 20 30 BGEDHM C=C[C@@H](C)ON=C(C)c1cc(C)ccc1[O-] ZINC000844626178 582604844 /nfs/dbraw/zinc/60/48/44/582604844.db2.gz ZPLXLYZLMSBTJA-SNVBAGLBSA-N -1 3 219.284 3.016 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC000846531393 588270332 /nfs/dbraw/zinc/27/03/32/588270332.db2.gz ANLIJOUBBWGVLM-CYBMUJFWSA-N -1 3 239.359 3.383 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)CCC=C(C)C ZINC000846531394 588270370 /nfs/dbraw/zinc/27/03/70/588270370.db2.gz ANLIJOUBBWGVLM-ZDUSSCGKSA-N -1 3 239.359 3.383 20 30 BGEDHM C=C(C)CO[N-]C(=O)CCCCC(C)(C)C ZINC000846533443 588270661 /nfs/dbraw/zinc/27/06/61/588270661.db2.gz IRSBJVAUCQYBQM-UHFFFAOYSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCC1(C(=O)[N-]OCC(=C)C)CCCCC1 ZINC000846533648 588269947 /nfs/dbraw/zinc/26/99/47/588269947.db2.gz CYYSANKRPFPCNG-UHFFFAOYSA-N -1 3 237.343 3.137 20 30 BGEDHM C=C(C)CO[N-]C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000846533767 711495575 /nfs/dbraw/zinc/49/55/75/711495575.db2.gz DVLYJCQAVKHYEP-FZMZJTMJSA-N -1 3 239.359 3.073 20 30 BGEDHM C=C(C)CO[N-]C(=O)/C(C)=C\c1ccc(C)cc1 ZINC000846535533 588271280 /nfs/dbraw/zinc/27/12/80/588271280.db2.gz DMQQCVHASDVXOP-LCYFTJDESA-N -1 3 245.322 3.022 20 30 BGEDHM C=C(C)CO[N-]C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000846535534 588271258 /nfs/dbraw/zinc/27/12/58/588271258.db2.gz DMQQCVHASDVXOP-UKTHLTGXSA-N -1 3 245.322 3.022 20 30 BGEDHM C=C(C)CO[N-]C(=O)CCCC[C@H](C)CC ZINC000846535538 588271317 /nfs/dbraw/zinc/27/13/17/588271317.db2.gz DPHVLNRWQFCSEN-GFCCVEGCSA-N -1 3 227.348 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)CCCC[C@@H](C)CC ZINC000846535539 588271106 /nfs/dbraw/zinc/27/11/06/588271106.db2.gz DPHVLNRWQFCSEN-LBPRGKRZSA-N -1 3 227.348 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)C(C)(C)C1CCCCC1 ZINC000846536001 588271501 /nfs/dbraw/zinc/27/15/01/588271501.db2.gz PDIZGKPYTMHXSO-UHFFFAOYSA-N -1 3 239.359 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)C1(CC(C)C)CCCC1 ZINC000846536392 588271637 /nfs/dbraw/zinc/27/16/37/588271637.db2.gz JCVUSUQAQPSMCR-UHFFFAOYSA-N -1 3 239.359 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000846536487 582655734 /nfs/dbraw/zinc/65/57/34/582655734.db2.gz NHHBHGOEPONKOY-CYBMUJFWSA-N -1 3 247.338 3.194 20 30 BGEDHM C=C(C)CO[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000846536488 582655694 /nfs/dbraw/zinc/65/56/94/582655694.db2.gz NHHBHGOEPONKOY-ZDUSSCGKSA-N -1 3 247.338 3.194 20 30 BGEDHM C=C(C)CO[N-]C(=O)CC/C=C\c1ccccc1 ZINC000846537013 588271692 /nfs/dbraw/zinc/27/16/92/588271692.db2.gz FNTMQEMBXBSWFK-POHAHGRESA-N -1 3 245.322 3.104 20 30 BGEDHM C=C(C)CO[N-]C(=O)CC/C=C/c1ccccc1 ZINC000846537014 588271618 /nfs/dbraw/zinc/27/16/18/588271618.db2.gz FNTMQEMBXBSWFK-UXBLZVDNSA-N -1 3 245.322 3.104 20 30 BGEDHM C=C(C)CO[N-]C(=O)CCCCCC(C)C ZINC000846537028 588271802 /nfs/dbraw/zinc/27/18/02/588271802.db2.gz GCKXSBFROMCJOL-UHFFFAOYSA-N -1 3 227.348 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@H](C)CCCCC ZINC000846537061 588271800 /nfs/dbraw/zinc/27/18/00/588271800.db2.gz HMTLKBSDXGDKHT-GFCCVEGCSA-N -1 3 227.348 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)CCCCC ZINC000846537062 588271765 /nfs/dbraw/zinc/27/17/65/588271765.db2.gz HMTLKBSDXGDKHT-LBPRGKRZSA-N -1 3 227.348 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)C/C=C\c1ccc(C)cc1 ZINC000846537819 588272117 /nfs/dbraw/zinc/27/21/17/588272117.db2.gz POQSYIVGWVGVTQ-PLNGDYQASA-N -1 3 245.322 3.022 20 30 BGEDHM C=C(C)CO[N-]C(=O)C/C=C/c1ccc(C)cc1 ZINC000846537822 588272215 /nfs/dbraw/zinc/27/22/15/588272215.db2.gz POQSYIVGWVGVTQ-SNAWJCMRSA-N -1 3 245.322 3.022 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000846537916 588271938 /nfs/dbraw/zinc/27/19/38/588271938.db2.gz LOKQZGMHEDRCDU-LLVKDONJSA-N -1 3 227.348 3.073 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000846537919 588272126 /nfs/dbraw/zinc/27/21/26/588272126.db2.gz LOKQZGMHEDRCDU-NSHDSACASA-N -1 3 227.348 3.073 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@@H](CC)c1ccccc1 ZINC000846538569 588272277 /nfs/dbraw/zinc/27/22/77/588272277.db2.gz KAVVMGZSRMFZQF-CYBMUJFWSA-N -1 3 247.338 3.194 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@H](CC)c1ccccc1 ZINC000846538571 588272530 /nfs/dbraw/zinc/27/25/30/588272530.db2.gz KAVVMGZSRMFZQF-ZDUSSCGKSA-N -1 3 247.338 3.194 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)c1ccccc1C ZINC000846538614 643680327 /nfs/dbraw/zinc/68/03/27/643680327.db2.gz KIIWSHLHGGQBPR-CYBMUJFWSA-N -1 3 247.338 3.113 20 30 BGEDHM C=C(C)CO[N-]C(=O)C(C)(C)CCCCC ZINC000846538616 588272493 /nfs/dbraw/zinc/27/24/93/588272493.db2.gz YRXLQRXNRRXFBQ-UHFFFAOYSA-N -1 3 227.348 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1ccccc1C ZINC000846538617 643680560 /nfs/dbraw/zinc/68/05/60/643680560.db2.gz KIIWSHLHGGQBPR-ZDUSSCGKSA-N -1 3 247.338 3.113 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000846539475 588272627 /nfs/dbraw/zinc/27/26/27/588272627.db2.gz IEFXPAJXXPNAOR-GFCCVEGCSA-N -1 3 239.359 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000846539476 588272562 /nfs/dbraw/zinc/27/25/62/588272562.db2.gz IEFXPAJXXPNAOR-LBPRGKRZSA-N -1 3 239.359 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@H](CC)CCCC ZINC000846539503 588272724 /nfs/dbraw/zinc/27/27/24/588272724.db2.gz YGWHTYREARMJKU-GFCCVEGCSA-N -1 3 227.348 3.217 20 30 BGEDHM C=C(C)CO[N-]C(=O)C[C@@H](CC)CCCC ZINC000846539504 588272713 /nfs/dbraw/zinc/27/27/13/588272713.db2.gz YGWHTYREARMJKU-LBPRGKRZSA-N -1 3 227.348 3.217 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](CC)c1ccccc1 ZINC000846543894 588273236 /nfs/dbraw/zinc/27/32/36/588273236.db2.gz CZUXUXMDMLKMEK-CHWSQXEVSA-N -1 3 247.338 3.193 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](CC)c1ccccc1 ZINC000846543896 588273356 /nfs/dbraw/zinc/27/33/56/588273356.db2.gz CZUXUXMDMLKMEK-OLZOCXBDSA-N -1 3 247.338 3.193 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](CC)c1ccccc1 ZINC000846543898 588273344 /nfs/dbraw/zinc/27/33/44/588273344.db2.gz CZUXUXMDMLKMEK-QWHCGFSZSA-N -1 3 247.338 3.193 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](CC)c1ccccc1 ZINC000846543900 588273087 /nfs/dbraw/zinc/27/30/87/588273087.db2.gz CZUXUXMDMLKMEK-STQMWFEESA-N -1 3 247.338 3.193 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](CC)CCCC ZINC000846544069 582656264 /nfs/dbraw/zinc/65/62/64/582656264.db2.gz DWIVJIPZPWJVJZ-NEPJUHHUSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](CC)CCCC ZINC000846544071 582656046 /nfs/dbraw/zinc/65/60/46/582656046.db2.gz DWIVJIPZPWJVJZ-NWDGAFQWSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](CC)CCCC ZINC000846544077 582656552 /nfs/dbraw/zinc/65/65/52/582656552.db2.gz DWIVJIPZPWJVJZ-RYUDHWBXSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](CC)CCCC ZINC000846544082 582656016 /nfs/dbraw/zinc/65/60/16/582656016.db2.gz DWIVJIPZPWJVJZ-VXGBXAGGSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)CC/C=C/c1ccccc1 ZINC000846544691 588273414 /nfs/dbraw/zinc/27/34/14/588273414.db2.gz JEYHAEVYGRQSSX-HJTPGIPUSA-N -1 3 245.322 3.102 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)CC/C=C\c1ccccc1 ZINC000846544693 588273429 /nfs/dbraw/zinc/27/34/29/588273429.db2.gz JEYHAEVYGRQSSX-LWMSPQMPSA-N -1 3 245.322 3.102 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)CC/C=C/c1ccccc1 ZINC000846544696 588273507 /nfs/dbraw/zinc/27/35/07/588273507.db2.gz JEYHAEVYGRQSSX-SVTZGKHISA-N -1 3 245.322 3.102 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)CC/C=C\c1ccccc1 ZINC000846544699 588273630 /nfs/dbraw/zinc/27/36/30/588273630.db2.gz JEYHAEVYGRQSSX-YLBKJLTLSA-N -1 3 245.322 3.102 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1ccccc1C ZINC000846544808 588273498 /nfs/dbraw/zinc/27/34/98/588273498.db2.gz JXKOSMAZCIEBFQ-CHWSQXEVSA-N -1 3 247.338 3.111 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccccc1C ZINC000846544809 588273675 /nfs/dbraw/zinc/27/36/75/588273675.db2.gz JXKOSMAZCIEBFQ-OLZOCXBDSA-N -1 3 247.338 3.111 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1ccccc1C ZINC000846544810 588273623 /nfs/dbraw/zinc/27/36/23/588273623.db2.gz JXKOSMAZCIEBFQ-QWHCGFSZSA-N -1 3 247.338 3.111 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1ccccc1C ZINC000846544811 582656435 /nfs/dbraw/zinc/65/64/35/582656435.db2.gz JXKOSMAZCIEBFQ-STQMWFEESA-N -1 3 247.338 3.111 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C(C)(C)CCCCC ZINC000846545688 588273915 /nfs/dbraw/zinc/27/39/15/588273915.db2.gz ILEBPVCOXXRANY-LLVKDONJSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C(C)(C)CCCCC ZINC000846545691 588273864 /nfs/dbraw/zinc/27/38/64/588273864.db2.gz ILEBPVCOXXRANY-NSHDSACASA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C1(CC(C)C)CCCC1 ZINC000846545859 588273862 /nfs/dbraw/zinc/27/38/62/588273862.db2.gz JDFWGAOADYJFCT-GFCCVEGCSA-N -1 3 239.359 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C1(CC(C)C)CCCC1 ZINC000846545861 588274008 /nfs/dbraw/zinc/27/40/08/588274008.db2.gz JDFWGAOADYJFCT-LBPRGKRZSA-N -1 3 239.359 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)CCCCCC(C)C ZINC000846545890 588273899 /nfs/dbraw/zinc/27/38/99/588273899.db2.gz JMEVGNRBNKMNPA-GFCCVEGCSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)CCCCCC(C)C ZINC000846545891 588273896 /nfs/dbraw/zinc/27/38/96/588273896.db2.gz JMEVGNRBNKMNPA-LBPRGKRZSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C/C=C\c1ccc(C)cc1 ZINC000846546094 588274327 /nfs/dbraw/zinc/27/43/27/588274327.db2.gz LITJQAZVHBKPRO-CFHLNLSMSA-N -1 3 245.322 3.021 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C/C=C/c1ccc(C)cc1 ZINC000846546095 588274332 /nfs/dbraw/zinc/27/43/32/588274332.db2.gz LITJQAZVHBKPRO-GFUIURDCSA-N -1 3 245.322 3.021 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C/C=C\c1ccc(C)cc1 ZINC000846546096 588274110 /nfs/dbraw/zinc/27/41/10/588274110.db2.gz LITJQAZVHBKPRO-SZZPACECSA-N -1 3 245.322 3.021 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C/C=C/c1ccc(C)cc1 ZINC000846546097 588274154 /nfs/dbraw/zinc/27/41/54/588274154.db2.gz LITJQAZVHBKPRO-URWSZGRFSA-N -1 3 245.322 3.021 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)CCCCC ZINC000846548279 588274697 /nfs/dbraw/zinc/27/46/97/588274697.db2.gz SRBMBOTWFHRSBD-NEPJUHHUSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)CCCCC ZINC000846548281 588274777 /nfs/dbraw/zinc/27/47/77/588274777.db2.gz SRBMBOTWFHRSBD-NWDGAFQWSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)CCCCC ZINC000846548283 588274878 /nfs/dbraw/zinc/27/48/78/588274878.db2.gz SRBMBOTWFHRSBD-RYUDHWBXSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)CCCCC ZINC000846548285 582657322 /nfs/dbraw/zinc/65/73/22/582657322.db2.gz SRBMBOTWFHRSBD-VXGBXAGGSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)CCCC[C@H](C)CC ZINC000846548461 588274768 /nfs/dbraw/zinc/27/47/68/588274768.db2.gz JZPIJVXYLZGRQM-NEPJUHHUSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)CCCC[C@@H](C)CC ZINC000846548462 588274668 /nfs/dbraw/zinc/27/46/68/588274668.db2.gz JZPIJVXYLZGRQM-NWDGAFQWSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)CCCC[C@@H](C)CC ZINC000846548464 588274906 /nfs/dbraw/zinc/27/49/06/588274906.db2.gz JZPIJVXYLZGRQM-RYUDHWBXSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)CCCC[C@H](C)CC ZINC000846548465 588274671 /nfs/dbraw/zinc/27/46/71/588274671.db2.gz JZPIJVXYLZGRQM-VXGBXAGGSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000846548833 588274847 /nfs/dbraw/zinc/27/48/47/588274847.db2.gz GKSLQNUJGQHDGV-GHMZBOCLSA-N -1 3 227.348 3.071 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000846548834 588274910 /nfs/dbraw/zinc/27/49/10/588274910.db2.gz GKSLQNUJGQHDGV-MNOVXSKESA-N -1 3 227.348 3.071 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000846548836 588274941 /nfs/dbraw/zinc/27/49/41/588274941.db2.gz GKSLQNUJGQHDGV-QWRGUYRKSA-N -1 3 227.348 3.071 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000846548837 588274699 /nfs/dbraw/zinc/27/46/99/588274699.db2.gz GKSLQNUJGQHDGV-WDEREUQCSA-N -1 3 227.348 3.071 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C(C)(C)C1CCCCC1 ZINC000846550028 588275569 /nfs/dbraw/zinc/27/55/69/588275569.db2.gz QPJVOYQIYQDTAO-LLVKDONJSA-N -1 3 239.359 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C(C)(C)C1CCCCC1 ZINC000846550029 588275429 /nfs/dbraw/zinc/27/54/29/588275429.db2.gz QPJVOYQIYQDTAO-NSHDSACASA-N -1 3 239.359 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000846550622 588275567 /nfs/dbraw/zinc/27/55/67/588275567.db2.gz OAVRNVKERBSIJO-NEPJUHHUSA-N -1 3 239.359 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000846550625 588275356 /nfs/dbraw/zinc/27/53/56/588275356.db2.gz OAVRNVKERBSIJO-NWDGAFQWSA-N -1 3 239.359 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000846550627 588275439 /nfs/dbraw/zinc/27/54/39/588275439.db2.gz OAVRNVKERBSIJO-RYUDHWBXSA-N -1 3 239.359 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000846550630 588275432 /nfs/dbraw/zinc/27/54/32/588275432.db2.gz OAVRNVKERBSIJO-VXGBXAGGSA-N -1 3 239.359 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000846550720 588275532 /nfs/dbraw/zinc/27/55/32/588275532.db2.gz YQHMQBBMTTXZTA-CHWSQXEVSA-N -1 3 247.338 3.193 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000846550721 588275592 /nfs/dbraw/zinc/27/55/92/588275592.db2.gz YQHMQBBMTTXZTA-OLZOCXBDSA-N -1 3 247.338 3.193 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000846550722 588275552 /nfs/dbraw/zinc/27/55/52/588275552.db2.gz YQHMQBBMTTXZTA-QWHCGFSZSA-N -1 3 247.338 3.193 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000846550808 588275409 /nfs/dbraw/zinc/27/54/09/588275409.db2.gz YQHMQBBMTTXZTA-STQMWFEESA-N -1 3 247.338 3.193 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)/C(C)=C\c1ccc(C)cc1 ZINC000846551124 588275722 /nfs/dbraw/zinc/27/57/22/588275722.db2.gz WYSPBGKIUVQORD-KXXVWKPMSA-N -1 3 245.322 3.021 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000846551127 588275807 /nfs/dbraw/zinc/27/58/07/588275807.db2.gz WYSPBGKIUVQORD-RSKUSDAESA-N -1 3 245.322 3.021 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)/C(C)=C\c1ccc(C)cc1 ZINC000846551130 588275648 /nfs/dbraw/zinc/27/56/48/588275648.db2.gz WYSPBGKIUVQORD-UKVQZPPCSA-N -1 3 245.322 3.021 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000846551132 588275614 /nfs/dbraw/zinc/27/56/14/588275614.db2.gz WYSPBGKIUVQORD-XSNHNAGMSA-N -1 3 245.322 3.021 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)CCCCC(C)(C)C ZINC000846551799 582659044 /nfs/dbraw/zinc/65/90/44/582659044.db2.gz APVIFWBWILPSBQ-LLVKDONJSA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)CCCCC(C)(C)C ZINC000846551806 582658763 /nfs/dbraw/zinc/65/87/63/582658763.db2.gz APVIFWBWILPSBQ-NSHDSACASA-N -1 3 227.348 3.215 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC000846553603 588276382 /nfs/dbraw/zinc/27/63/82/588276382.db2.gz CSKXOUITQDWFFD-CHWSQXEVSA-N -1 3 239.359 3.381 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC000846553604 588276411 /nfs/dbraw/zinc/27/64/11/588276411.db2.gz CSKXOUITQDWFFD-OLZOCXBDSA-N -1 3 239.359 3.381 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)CCC=C(C)C ZINC000846553605 588276273 /nfs/dbraw/zinc/27/62/73/588276273.db2.gz CSKXOUITQDWFFD-QWHCGFSZSA-N -1 3 239.359 3.381 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)CCC=C(C)C ZINC000846553606 588276281 /nfs/dbraw/zinc/27/62/81/588276281.db2.gz CSKXOUITQDWFFD-STQMWFEESA-N -1 3 239.359 3.381 20 30 BGEDHM C=C[C@H](C)O[N-]C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000846554162 588276698 /nfs/dbraw/zinc/27/66/98/588276698.db2.gz IBMGLUIGFJEWJQ-MJVIPROJSA-N -1 3 239.359 3.071 20 30 BGEDHM C=C[C@@H](C)O[N-]C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000846554163 588276558 /nfs/dbraw/zinc/27/65/58/588276558.db2.gz IBMGLUIGFJEWJQ-WDMOLILDSA-N -1 3 239.359 3.071 20 30 BGEDHM CCc1cccc(C=NOC/C=C/Cl)c1[O-] ZINC000848410369 588380173 /nfs/dbraw/zinc/38/01/73/588380173.db2.gz MUMFTULZKJAYTQ-AKROGEHCSA-N -1 3 239.702 3.058 20 30 BGEDHM CCc1cccc(C=NOC/C=C\Cl)c1[O-] ZINC000848410372 588379890 /nfs/dbraw/zinc/37/98/90/588379890.db2.gz MUMFTULZKJAYTQ-LIMBZAAPSA-N -1 3 239.702 3.058 20 30 BGEDHM CSCC1(CC/N=C\c2ccccc2[O-])CC1 ZINC000849169821 588459376 /nfs/dbraw/zinc/45/93/76/588459376.db2.gz GVZNFJIYUYHRSL-GDNBJRDFSA-N -1 3 249.379 3.344 20 30 BGEDHM CSCC1(CC/N=C/c2ccccc2[O-])CC1 ZINC000849169823 588459507 /nfs/dbraw/zinc/45/95/07/588459507.db2.gz GVZNFJIYUYHRSL-XNTDXEJSSA-N -1 3 249.379 3.344 20 30 BGEDHM C=CCCSCC/N=C/c1ccccc1[O-] ZINC000849170262 588459258 /nfs/dbraw/zinc/45/92/58/588459258.db2.gz NDGHWCGSEDTTAW-SDNWHVSQSA-N -1 3 235.352 3.120 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1C=CCC1 ZINC000849170907 588459686 /nfs/dbraw/zinc/45/96/86/588459686.db2.gz WQWZIQVTBRHQSF-GYBQTFJISA-N -1 3 221.687 3.183 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1C=CCC1 ZINC000849170908 588459974 /nfs/dbraw/zinc/45/99/74/588459974.db2.gz WQWZIQVTBRHQSF-KSSSLANASA-N -1 3 221.687 3.183 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1C=CCC1 ZINC000849170909 588459752 /nfs/dbraw/zinc/45/97/52/588459752.db2.gz WQWZIQVTBRHQSF-KYJZABPNSA-N -1 3 221.687 3.183 20 30 BGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1C=CCC1 ZINC000849170910 588459873 /nfs/dbraw/zinc/45/98/73/588459873.db2.gz WQWZIQVTBRHQSF-ZEVOCZHWSA-N -1 3 221.687 3.183 20 30 BGEDHM CC(C)(C)OCCC/N=C/c1ccccc1[O-] ZINC000849171697 588459910 /nfs/dbraw/zinc/45/99/10/588459910.db2.gz DSMXELDAHGDLME-RVDMUPIBSA-N -1 3 235.327 3.016 20 30 BGEDHM N#CC1(C/N=C/c2ccccc2[O-])CCCCC1 ZINC000849171973 588459977 /nfs/dbraw/zinc/45/99/77/588459977.db2.gz JPQDRHXVTUKSPZ-LICLKQGHSA-N -1 3 242.322 3.285 20 30 BGEDHM CC[C@@H](/N=C\c1c([O-])cccc1OC)C1CC1 ZINC000849172156 588459935 /nfs/dbraw/zinc/45/99/35/588459935.db2.gz MZWMMJWEZQFGIF-CDCQXCROSA-N -1 3 233.311 3.008 20 30 BGEDHM CC[C@H](/N=C/c1c([O-])cccc1OC)C1CC1 ZINC000849172157 588459891 /nfs/dbraw/zinc/45/98/91/588459891.db2.gz MZWMMJWEZQFGIF-DGGAMASNSA-N -1 3 233.311 3.008 20 30 BGEDHM CC[C@@H](/N=C/c1c([O-])cccc1OC)C1CC1 ZINC000849172158 588460054 /nfs/dbraw/zinc/46/00/54/588460054.db2.gz MZWMMJWEZQFGIF-KMHUVPDISA-N -1 3 233.311 3.008 20 30 BGEDHM CC[C@H](/N=C\c1c([O-])cccc1OC)C1CC1 ZINC000849172159 588459702 /nfs/dbraw/zinc/45/97/02/588459702.db2.gz MZWMMJWEZQFGIF-ZENNRRHLSA-N -1 3 233.311 3.008 20 30 BGEDHM C[C@@]1(CC/N=C/c2ccccc2[O-])CC1(F)F ZINC000849172612 588459898 /nfs/dbraw/zinc/45/98/98/588459898.db2.gz WFYPFLUWJHKKRQ-GGNJANJASA-N -1 3 239.265 3.247 20 30 BGEDHM C[C@@]1(CC/N=C\c2ccccc2[O-])CC1(F)F ZINC000849172614 588459971 /nfs/dbraw/zinc/45/99/71/588459971.db2.gz WFYPFLUWJHKKRQ-VJMCZWTHSA-N -1 3 239.265 3.247 20 30 BGEDHM C[C@]1(CC/N=C/c2ccccc2[O-])CC1(F)F ZINC000849172615 588460001 /nfs/dbraw/zinc/46/00/01/588460001.db2.gz WFYPFLUWJHKKRQ-WIJRQFRKSA-N -1 3 239.265 3.247 20 30 BGEDHM C=CCCC1(C[N-]C(=O)C(F)(F)F)CCCC1 ZINC000849422218 588477889 /nfs/dbraw/zinc/47/78/89/588477889.db2.gz RFPHFCMWTNWWDL-UHFFFAOYSA-N -1 3 249.276 3.192 20 30 BGEDHM CC1(C)[C@H](C/N=C/c2ccccc2[O-])C1(F)F ZINC000852997935 588714891 /nfs/dbraw/zinc/71/48/91/588714891.db2.gz FJOONTNZBNSGEO-JRUYLCMPSA-N -1 3 239.265 3.102 20 30 BGEDHM CC1(C)[C@@H](C/N=C/c2ccccc2[O-])C1(F)F ZINC000852997936 588715019 /nfs/dbraw/zinc/71/50/19/588715019.db2.gz FJOONTNZBNSGEO-PFJSLNBISA-N -1 3 239.265 3.102 20 30 BGEDHM COc1cccc([O-])c1/C=N\C1CC(C)(C)C1 ZINC000852998063 588714953 /nfs/dbraw/zinc/71/49/53/588714953.db2.gz HDLUUUJIKFKFIP-DHDCSXOGSA-N -1 3 233.311 3.008 20 30 BGEDHM COc1cccc([O-])c1/C=N/C1CC(C)(C)C1 ZINC000852998064 588714880 /nfs/dbraw/zinc/71/48/80/588714880.db2.gz HDLUUUJIKFKFIP-OQLLNIDSSA-N -1 3 233.311 3.008 20 30 BGEDHM CC(C)(C)O[C@H]1C[C@H](/N=C\c2ccccc2[O-])C1 ZINC000852998313 588714968 /nfs/dbraw/zinc/71/49/68/588714968.db2.gz KLTHOYSBWZAZOX-VYTWAJQNSA-N -1 3 247.338 3.157 20 30 BGEDHM CC(C)(C)O[C@H]1C[C@H](/N=C/c2ccccc2[O-])C1 ZINC000852998315 588715038 /nfs/dbraw/zinc/71/50/38/588715038.db2.gz KLTHOYSBWZAZOX-ZAPZDABDSA-N -1 3 247.338 3.157 20 30 BGEDHM CO[C@@H](C/N=C/c1ccccc1[O-])C1CCCC1 ZINC000852998499 588714964 /nfs/dbraw/zinc/71/49/64/588714964.db2.gz NCKKBAJNNNUMRS-BMANGOCTSA-N -1 3 247.338 3.016 20 30 BGEDHM CO[C@@H](C/N=C\c1ccccc1[O-])C1CCCC1 ZINC000852998501 588714900 /nfs/dbraw/zinc/71/49/00/588714900.db2.gz NCKKBAJNNNUMRS-HEUOVEHFSA-N -1 3 247.338 3.016 20 30 BGEDHM CO[C@H](C/N=C/c1ccccc1[O-])C1CCCC1 ZINC000852998502 588715073 /nfs/dbraw/zinc/71/50/73/588715073.db2.gz NCKKBAJNNNUMRS-VGVSSDJJSA-N -1 3 247.338 3.016 20 30 BGEDHM CC(C)(C)C(F)(F)C/N=C/c1ccccc1[O-] ZINC000852998559 588715118 /nfs/dbraw/zinc/71/51/18/588715118.db2.gz OMGSBMRZGSTROP-LZYBPNLTSA-N -1 3 241.281 3.493 20 30 BGEDHM CC(C)(C)C(F)(F)C/N=C\c1ccccc1[O-] ZINC000852998560 588714934 /nfs/dbraw/zinc/71/49/34/588714934.db2.gz OMGSBMRZGSTROP-PXNMLYILSA-N -1 3 241.281 3.493 20 30 BGEDHM CCSC1(C/N=C/c2ccccc2[O-])CC1 ZINC000852999179 588715102 /nfs/dbraw/zinc/71/51/02/588715102.db2.gz XSBIHVOUCGTKSQ-NTEUORMPSA-N -1 3 235.352 3.097 20 30 BGEDHM CCSC1(C/N=C\c2ccccc2[O-])CC1 ZINC000852999180 588715115 /nfs/dbraw/zinc/71/51/15/588715115.db2.gz XSBIHVOUCGTKSQ-ZROIWOOFSA-N -1 3 235.352 3.097 20 30 BGEDHM Cc1cc([O-])c(C=NOC2CCC2)cc1Cl ZINC000853349087 588736752 /nfs/dbraw/zinc/73/67/52/588736752.db2.gz SWKOPMDWFQXZNX-UHFFFAOYSA-N -1 3 239.702 3.257 20 30 BGEDHM Cc1cc([O-])c(C=NOC(C)C)cc1Cl ZINC000853353937 588737280 /nfs/dbraw/zinc/73/72/80/588737280.db2.gz PWTVJYRUTUDIFW-UHFFFAOYSA-N -1 3 227.691 3.113 20 30 BGEDHM CC(=NOCC1CCC1)c1cc(F)ccc1[O-] ZINC000853439281 588742763 /nfs/dbraw/zinc/74/27/63/588742763.db2.gz CVEZPHGMJSHFME-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM CC(=NOCC1CCC1)c1ccc(C)cc1[O-] ZINC000853439670 588742806 /nfs/dbraw/zinc/74/28/06/588742806.db2.gz LIAVAQQQSACIBD-UHFFFAOYSA-N -1 3 233.311 3.241 20 30 BGEDHM CC(=NOCC1CCC1)c1ccc([O-])cc1F ZINC000853439885 588743011 /nfs/dbraw/zinc/74/30/11/588743011.db2.gz UNLFHTFLHPGXCA-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM CC(=NOCC1CCC1)c1cc(C)ccc1[O-] ZINC000853440163 588743028 /nfs/dbraw/zinc/74/30/28/588743028.db2.gz VUIIJUYLEIXDCQ-UHFFFAOYSA-N -1 3 233.311 3.241 20 30 BGEDHM C=CCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000855138710 588823128 /nfs/dbraw/zinc/82/31/28/588823128.db2.gz GJAOJWLXPCWYBV-UHFFFAOYSA-N -1 3 239.702 3.340 20 30 BGEDHM C#CCO[N-]C(=O)[C@@](C)(CC)CCCCCC ZINC000855606663 583109058 /nfs/dbraw/zinc/10/90/58/583109058.db2.gz NAPLANOUUQTTDY-AWEZNQCLSA-N -1 3 239.359 3.054 20 30 BGEDHM C#CCO[N-]C(=O)[C@](C)(CC)CCCCCC ZINC000855606664 583109113 /nfs/dbraw/zinc/10/91/13/583109113.db2.gz NAPLANOUUQTTDY-CQSZACIVSA-N -1 3 239.359 3.054 20 30 BGEDHM C=CCCO[N-]C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000856027174 588855454 /nfs/dbraw/zinc/85/54/54/588855454.db2.gz CFEFZFMDOILKMJ-FZMZJTMJSA-N -1 3 239.359 3.073 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC000856027287 588855374 /nfs/dbraw/zinc/85/53/74/588855374.db2.gz GTCZYHIZMARSCT-CYBMUJFWSA-N -1 3 239.359 3.383 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@@H](C)CCC=C(C)C ZINC000856027288 588855496 /nfs/dbraw/zinc/85/54/96/588855496.db2.gz GTCZYHIZMARSCT-ZDUSSCGKSA-N -1 3 239.359 3.383 20 30 BGEDHM C=CCCO[N-]C(=O)C1(CC=C)CCCCC1 ZINC000856027482 588855618 /nfs/dbraw/zinc/85/56/18/588855618.db2.gz NXCAKSXZBVUDGB-UHFFFAOYSA-N -1 3 237.343 3.137 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000856030824 583113385 /nfs/dbraw/zinc/11/33/85/583113385.db2.gz SMECCNUMGZWYRG-LLVKDONJSA-N -1 3 227.348 3.073 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000856030825 583113128 /nfs/dbraw/zinc/11/31/28/583113128.db2.gz SMECCNUMGZWYRG-NSHDSACASA-N -1 3 227.348 3.073 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@@H](CC)c1ccccc1 ZINC000856031225 588856645 /nfs/dbraw/zinc/85/66/45/588856645.db2.gz IIFKLSGJXSZAQE-CYBMUJFWSA-N -1 3 247.338 3.194 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@H](CC)c1ccccc1 ZINC000856031226 588856602 /nfs/dbraw/zinc/85/66/02/588856602.db2.gz IIFKLSGJXSZAQE-ZDUSSCGKSA-N -1 3 247.338 3.194 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000856031252 588856624 /nfs/dbraw/zinc/85/66/24/588856624.db2.gz IVOGDBGATZMEEP-GFCCVEGCSA-N -1 3 239.359 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000856031253 588856621 /nfs/dbraw/zinc/85/66/21/588856621.db2.gz IVOGDBGATZMEEP-LBPRGKRZSA-N -1 3 239.359 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)C(C)(C)CCCCC ZINC000856032076 588856895 /nfs/dbraw/zinc/85/68/95/588856895.db2.gz FWFUHCJPIPSOPX-UHFFFAOYSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccccc1C ZINC000856032193 588856907 /nfs/dbraw/zinc/85/69/07/588856907.db2.gz JOKUSJUSVZQEPV-CYBMUJFWSA-N -1 3 247.338 3.113 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@H](C)c1ccccc1C ZINC000856032194 588856917 /nfs/dbraw/zinc/85/69/17/588856917.db2.gz JOKUSJUSVZQEPV-ZDUSSCGKSA-N -1 3 247.338 3.113 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@H](C)CCCCC ZINC000856032366 588856825 /nfs/dbraw/zinc/85/68/25/588856825.db2.gz KDNKTNIGBFDYKX-GFCCVEGCSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@@H](C)CCCCC ZINC000856032370 588856779 /nfs/dbraw/zinc/85/67/79/588856779.db2.gz KDNKTNIGBFDYKX-LBPRGKRZSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)[C@H](C)CCCCCC ZINC000856032422 588856922 /nfs/dbraw/zinc/85/69/22/588856922.db2.gz OBRPBGWGPWUNTN-GFCCVEGCSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)[C@@H](C)CCCCCC ZINC000856032423 588856880 /nfs/dbraw/zinc/85/68/80/588856880.db2.gz OBRPBGWGPWUNTN-LBPRGKRZSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@H](CC)CCCC ZINC000856032490 588856747 /nfs/dbraw/zinc/85/67/47/588856747.db2.gz OYTKZFMNYBCUOV-GFCCVEGCSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)C[C@@H](CC)CCCC ZINC000856032491 588856761 /nfs/dbraw/zinc/85/67/61/588856761.db2.gz OYTKZFMNYBCUOV-LBPRGKRZSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)CC/C=C\c1ccccc1 ZINC000856032674 588856989 /nfs/dbraw/zinc/85/69/89/588856989.db2.gz SDLCARSWCQMEHD-XFFZJAGNSA-N -1 3 245.322 3.104 20 30 BGEDHM C=CCCO[N-]C(=O)CC/C=C/c1ccccc1 ZINC000856032675 588856902 /nfs/dbraw/zinc/85/69/02/588856902.db2.gz SDLCARSWCQMEHD-YRNVUSSQSA-N -1 3 245.322 3.104 20 30 BGEDHM C=CCCO[N-]C(=O)CCCCCC(C)C ZINC000856032797 588857207 /nfs/dbraw/zinc/85/72/07/588857207.db2.gz QTNCGRYMZGIZDN-UHFFFAOYSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)C/C=C/c1ccc(C)cc1 ZINC000856032844 588857220 /nfs/dbraw/zinc/85/72/20/588857220.db2.gz SWUQATNUUGZYHT-AATRIKPKSA-N -1 3 245.322 3.022 20 30 BGEDHM C=CCCO[N-]C(=O)C/C=C\c1ccc(C)cc1 ZINC000856032845 588857133 /nfs/dbraw/zinc/85/71/33/588857133.db2.gz SWUQATNUUGZYHT-WAYWQWQTSA-N -1 3 245.322 3.022 20 30 BGEDHM C=CCCO[N-]C(=O)C1(CC(C)C)CCCC1 ZINC000856033138 588857070 /nfs/dbraw/zinc/85/70/70/588857070.db2.gz ZCVJVHRDHRILRN-UHFFFAOYSA-N -1 3 239.359 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)CCCC[C@H](C)CC ZINC000856033442 583114140 /nfs/dbraw/zinc/11/41/40/583114140.db2.gz GKDAQVOORAVVRF-GFCCVEGCSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)CCCC[C@@H](C)CC ZINC000856033443 583113987 /nfs/dbraw/zinc/11/39/87/583113987.db2.gz GKDAQVOORAVVRF-LBPRGKRZSA-N -1 3 227.348 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)[C@H](C)CCC(C)(C)C ZINC000856033780 583113783 /nfs/dbraw/zinc/11/37/83/583113783.db2.gz QKMVMKATCTWWNE-LLVKDONJSA-N -1 3 227.348 3.073 20 30 BGEDHM C=CCCO[N-]C(=O)[C@@H](C)CCC(C)(C)C ZINC000856033781 583114035 /nfs/dbraw/zinc/11/40/35/583114035.db2.gz QKMVMKATCTWWNE-NSHDSACASA-N -1 3 227.348 3.073 20 30 BGEDHM C=CCCO[N-]C(=O)C(C)(C)C1CCCCC1 ZINC000856034665 588857645 /nfs/dbraw/zinc/85/76/45/588857645.db2.gz SDQKIAMNTQPXKB-UHFFFAOYSA-N -1 3 239.359 3.217 20 30 BGEDHM C=CCCO[N-]C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000856034967 588857797 /nfs/dbraw/zinc/85/77/97/588857797.db2.gz YZAUVUZHNNVPJG-ACCUITESSA-N -1 3 245.322 3.022 20 30 BGEDHM C=CCCO[N-]C(=O)/C(C)=C\c1ccc(C)cc1 ZINC000856034968 588857805 /nfs/dbraw/zinc/85/78/05/588857805.db2.gz YZAUVUZHNNVPJG-QBFSEMIESA-N -1 3 245.322 3.022 20 30 BGEDHM C=CCCO[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000856034974 588857849 /nfs/dbraw/zinc/85/78/49/588857849.db2.gz ZDWMXGOMORQRLD-CYBMUJFWSA-N -1 3 247.338 3.194 20 30 BGEDHM C=CCCO[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000856034975 588857632 /nfs/dbraw/zinc/85/76/32/588857632.db2.gz ZDWMXGOMORQRLD-ZDUSSCGKSA-N -1 3 247.338 3.194 20 30 BGEDHM C=CCCO[N-]C(=O)CCCCC(C)(C)C ZINC000856036296 588858456 /nfs/dbraw/zinc/85/84/56/588858456.db2.gz ZAPPYEPHHGQDHX-UHFFFAOYSA-N -1 3 227.348 3.217 20 30 BGEDHM CCCCCCCC(=O)[N-]OCC1CCC1 ZINC000856346099 588868706 /nfs/dbraw/zinc/86/87/06/588868706.db2.gz OZJHRBWRBSJGKZ-UHFFFAOYSA-N -1 3 227.348 3.195 20 30 BGEDHM C=CCN(Cc1cc([O-])ccc1Cl)C(C)C ZINC000859082024 588998865 /nfs/dbraw/zinc/99/88/65/588998865.db2.gz OHUPYVMKKZOJSK-UHFFFAOYSA-N -1 3 239.746 3.442 20 30 BGEDHM C=CC[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000860905897 589130309 /nfs/dbraw/zinc/13/03/09/589130309.db2.gz GHHJRIDVSBDGED-MRVPVSSYSA-N -1 3 235.308 3.351 20 30 BGEDHM C=CC[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000860905899 589130207 /nfs/dbraw/zinc/13/02/07/589130207.db2.gz GHHJRIDVSBDGED-QMMMGPOBSA-N -1 3 235.308 3.351 20 30 BGEDHM C=CC[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000860907553 589130646 /nfs/dbraw/zinc/13/06/46/589130646.db2.gz ZBIUCMQBCNIVPU-LURJTMIESA-N -1 3 248.109 3.443 20 30 BGEDHM C=CC[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000860907554 589130437 /nfs/dbraw/zinc/13/04/37/589130437.db2.gz ZBIUCMQBCNIVPU-ZCFIWIBFSA-N -1 3 248.109 3.443 20 30 BGEDHM CC1(C)CCCC[C@H]1OC(=O)c1ccc(C#N)[n-]1 ZINC000861296635 589158566 /nfs/dbraw/zinc/15/85/66/589158566.db2.gz HDWGCZDXUBTFQJ-GFCCVEGCSA-N -1 3 246.310 3.012 20 30 BGEDHM CC1(C)CCCC[C@@H]1OC(=O)c1ccc(C#N)[n-]1 ZINC000861296637 589158464 /nfs/dbraw/zinc/15/84/64/589158464.db2.gz HDWGCZDXUBTFQJ-LBPRGKRZSA-N -1 3 246.310 3.012 20 30 BGEDHM C=CCO[N-]C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000861318629 589160903 /nfs/dbraw/zinc/16/09/03/589160903.db2.gz RAQSYLALCFAKNM-LLVKDONJSA-N -1 3 248.326 3.439 20 30 BGEDHM C=CCON=C([O-])Nc1cccc([C@H](C)CC)c1 ZINC000861318629 589160902 /nfs/dbraw/zinc/16/09/02/589160902.db2.gz RAQSYLALCFAKNM-LLVKDONJSA-N -1 3 248.326 3.439 20 30 BGEDHM C=CCO[N-]C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000861318630 589161040 /nfs/dbraw/zinc/16/10/40/589161040.db2.gz RAQSYLALCFAKNM-NSHDSACASA-N -1 3 248.326 3.439 20 30 BGEDHM C=CCON=C([O-])Nc1cccc([C@@H](C)CC)c1 ZINC000861318630 589161039 /nfs/dbraw/zinc/16/10/39/589161039.db2.gz RAQSYLALCFAKNM-NSHDSACASA-N -1 3 248.326 3.439 20 30 BGEDHM CCCCCCCNC(=O)c1cc([O-])cs1 ZINC000862356580 583961814 /nfs/dbraw/zinc/96/18/14/583961814.db2.gz YPWSNNPOJKLXDO-UHFFFAOYSA-N -1 3 241.356 3.154 20 30 BGEDHM CCCCN=Nc1nc2ccccc2[n-]c1=S ZINC000863128156 589261436 /nfs/dbraw/zinc/26/14/36/589261436.db2.gz GRTOTMLXGHQWSL-UHFFFAOYSA-N -1 3 246.339 3.490 20 30 BGEDHM S=c1[n-]c2ccccc2nc1N=NCC1CC1 ZINC000863128188 589261410 /nfs/dbraw/zinc/26/14/10/589261410.db2.gz HLQZRRAKPOXKFH-UHFFFAOYSA-N -1 3 244.323 3.100 20 30 BGEDHM CCC(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128454 589261589 /nfs/dbraw/zinc/26/15/89/589261589.db2.gz OCUXGGCMYHYJAR-UHFFFAOYSA-N -1 3 246.339 3.490 20 30 BGEDHM CC(C)CN=Nc1nc2ccccc2[n-]c1=S ZINC000863129850 589261457 /nfs/dbraw/zinc/26/14/57/589261457.db2.gz YCRFGWYDKSMUJS-UHFFFAOYSA-N -1 3 246.339 3.346 20 30 BGEDHM CC[C@H](C)n1cc(-c2ccc([O-])cc2C#N)cn1 ZINC000863723286 589313049 /nfs/dbraw/zinc/31/30/49/589313049.db2.gz WGCRESSHPVICCP-JTQLQIEISA-N -1 3 241.294 3.098 20 30 BGEDHM CC[C@@H](C)n1cc(-c2ccc([O-])cc2C#N)cn1 ZINC000863723287 589312717 /nfs/dbraw/zinc/31/27/17/589312717.db2.gz WGCRESSHPVICCP-SNVBAGLBSA-N -1 3 241.294 3.098 20 30 BGEDHM Cc1ccc(C=NNc2ccccc2)c([O-])c1 ZINC000864179387 589346690 /nfs/dbraw/zinc/34/66/90/589346690.db2.gz OWGXMSVCMJXOME-UHFFFAOYSA-N -1 3 226.279 3.147 20 30 BGEDHM Cc1ccc(NN=Cc2ccc(C)cc2[O-])cc1 ZINC000864179863 589346885 /nfs/dbraw/zinc/34/68/85/589346885.db2.gz WGICGVCKADGHHJ-UHFFFAOYSA-N -1 3 240.306 3.455 20 30 BGEDHM CCC[C@@H](C/N=C/c1ccccc1[O-])OCC ZINC000864345143 589353916 /nfs/dbraw/zinc/35/39/16/589353916.db2.gz PRGHPCBXDSYFMK-LERPTODRSA-N -1 3 235.327 3.016 20 30 BGEDHM CCC[C@H](C/N=C\c1ccccc1[O-])OCC ZINC000864345144 589354301 /nfs/dbraw/zinc/35/43/01/589354301.db2.gz PRGHPCBXDSYFMK-NWFCWYBLSA-N -1 3 235.327 3.016 20 30 BGEDHM CCC[C@H](C/N=C/c1ccccc1[O-])OCC ZINC000864345146 589354036 /nfs/dbraw/zinc/35/40/36/589354036.db2.gz PRGHPCBXDSYFMK-QQFZQELXSA-N -1 3 235.327 3.016 20 30 BGEDHM [O-]c1ccccc1/C=N\CC[C@@H]1CCCS1 ZINC000864347054 589354488 /nfs/dbraw/zinc/35/44/88/589354488.db2.gz JGHYDUFVLXMIMR-GVIGZQTCSA-N -1 3 235.352 3.097 20 30 BGEDHM [O-]c1ccccc1/C=N/CC[C@H]1CCCS1 ZINC000864347055 589354463 /nfs/dbraw/zinc/35/44/63/589354463.db2.gz JGHYDUFVLXMIMR-HLVNSREUSA-N -1 3 235.352 3.097 20 30 BGEDHM [O-]c1ccccc1/C=N/CC[C@@H]1CCCS1 ZINC000864347056 589354729 /nfs/dbraw/zinc/35/47/29/589354729.db2.gz JGHYDUFVLXMIMR-LQELWAHVSA-N -1 3 235.352 3.097 20 30 BGEDHM [O-]c1ccccc1/C=N\CC[C@H]1CCCS1 ZINC000864347057 589354386 /nfs/dbraw/zinc/35/43/86/589354386.db2.gz JGHYDUFVLXMIMR-XTCQQWIJSA-N -1 3 235.352 3.097 20 30 BGEDHM [O-]c1ccccc1/C=N/[C@@H]1CCCC[C@@H]1F ZINC000864347723 589354715 /nfs/dbraw/zinc/35/47/15/589354715.db2.gz WWXQORUVYZFKLW-FIZWVAMCSA-N -1 3 221.275 3.092 20 30 BGEDHM [O-]c1ccccc1/C=N\[C@@H]1CCCC[C@@H]1F ZINC000864347724 589354416 /nfs/dbraw/zinc/35/44/16/589354416.db2.gz WWXQORUVYZFKLW-WVJJYJRESA-N -1 3 221.275 3.092 20 30 BGEDHM CC(C)(F)C/N=C/c1cc(Cl)ccc1[O-] ZINC000864347972 589354406 /nfs/dbraw/zinc/35/44/06/589354406.db2.gz ZKZSLIXIRLVKRS-MKMNVTDBSA-N -1 3 229.682 3.213 20 30 BGEDHM CC(C)(F)C/N=C\c1cc(Cl)ccc1[O-] ZINC000864347973 589354697 /nfs/dbraw/zinc/35/46/97/589354697.db2.gz ZKZSLIXIRLVKRS-NSIKDUERSA-N -1 3 229.682 3.213 20 30 BGEDHM CC(F)(F)C(C)(C)C/N=C/c1ccccc1[O-] ZINC000864349258 589354472 /nfs/dbraw/zinc/35/44/72/589354472.db2.gz VWBFKEQAFIBEGA-LZYBPNLTSA-N -1 3 241.281 3.493 20 30 BGEDHM CC(F)(F)C(C)(C)C/N=C\c1ccccc1[O-] ZINC000864349259 589354549 /nfs/dbraw/zinc/35/45/49/589354549.db2.gz VWBFKEQAFIBEGA-PXNMLYILSA-N -1 3 241.281 3.493 20 30 BGEDHM CC(C)OC1(C/N=C/c2ccccc2[O-])CCC1 ZINC000871596767 589771198 /nfs/dbraw/zinc/77/11/98/589771198.db2.gz CYYYJHBQWLSQAL-MHWRWJLKSA-N -1 3 247.338 3.159 20 30 BGEDHM CC(C)OC1(C/N=C\c2ccccc2[O-])CCC1 ZINC000871596768 589771357 /nfs/dbraw/zinc/77/13/57/589771357.db2.gz CYYYJHBQWLSQAL-YBEGLDIGSA-N -1 3 247.338 3.159 20 30 BGEDHM C=C(CC)CN[C@@H](C)c1cccc([O-])c1F ZINC000872079369 589865612 /nfs/dbraw/zinc/86/56/12/589865612.db2.gz YBRDOHKMIHQDIB-JTQLQIEISA-N -1 3 223.291 3.148 20 30 BGEDHM C=C(CC)CN[C@H](C)c1cccc([O-])c1F ZINC000872079370 589865585 /nfs/dbraw/zinc/86/55/85/589865585.db2.gz YBRDOHKMIHQDIB-SNVBAGLBSA-N -1 3 223.291 3.148 20 30 BGEDHM Cc1ccc(C=NOCCC(F)(F)F)c([O-])c1 ZINC000872365931 589921199 /nfs/dbraw/zinc/92/11/99/589921199.db2.gz KLBFUEFJZPSUOZ-UHFFFAOYSA-N -1 3 247.216 3.004 20 30 BGEDHM CCCCCCCNc1cc(Cl)n[n-]c1=O ZINC000872612220 589955978 /nfs/dbraw/zinc/95/59/78/589955978.db2.gz DFPZRJGMANYGJZ-UHFFFAOYSA-N -1 3 243.738 3.218 20 30 BGEDHM C=CC(C)(C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000878002680 590471076 /nfs/dbraw/zinc/47/10/76/590471076.db2.gz HLDVIOIPWQGTFR-UHFFFAOYSA-N -1 3 233.311 3.241 20 30 BGEDHM CC1(C)CC[C@@H](C(=O)N[O-])[C@@H](c2ccccc2)C1 ZINC000878095743 590491265 /nfs/dbraw/zinc/49/12/65/590491265.db2.gz CKFUHIKFELYRQK-CHWSQXEVSA-N -1 3 247.338 3.102 20 30 BGEDHM CC1(C)CC[C@@H](C(=O)N[O-])[C@H](c2ccccc2)C1 ZINC000878095744 590491948 /nfs/dbraw/zinc/49/19/48/590491948.db2.gz CKFUHIKFELYRQK-OLZOCXBDSA-N -1 3 247.338 3.102 20 30 BGEDHM CC1(C)CC[C@H](C(=O)N[O-])[C@@H](c2ccccc2)C1 ZINC000878095745 590492002 /nfs/dbraw/zinc/49/20/02/590492002.db2.gz CKFUHIKFELYRQK-QWHCGFSZSA-N -1 3 247.338 3.102 20 30 BGEDHM CC1(C)CC[C@H](C(=O)N[O-])[C@H](c2ccccc2)C1 ZINC000878095746 590491904 /nfs/dbraw/zinc/49/19/04/590491904.db2.gz CKFUHIKFELYRQK-STQMWFEESA-N -1 3 247.338 3.102 20 30 BGEDHM C=CC(C)(C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000879083047 590694193 /nfs/dbraw/zinc/69/41/93/590694193.db2.gz IJLNVUONSBGEES-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM C=CC(C)(C)CC(=O)Nc1ccc([O-])cc1F ZINC000879428788 590766588 /nfs/dbraw/zinc/76/65/88/590766588.db2.gz BMBLHDIGWDRMAD-UHFFFAOYSA-N -1 3 237.274 3.072 20 30 BGEDHM CC1(C/N=C/c2ccccc2[O-])CC(F)(F)C1 ZINC000887268027 592473357 /nfs/dbraw/zinc/47/33/57/592473357.db2.gz AHLJZBTZJLONBC-OMCISZLKSA-N -1 3 239.265 3.247 20 30 BGEDHM CC1(C)CC[C@H](C/N=C/c2ccccc2[O-])OC1 ZINC000887268857 592473456 /nfs/dbraw/zinc/47/34/56/592473456.db2.gz WXDHJGTUXKENCS-BPKVKKHESA-N -1 3 247.338 3.016 20 30 BGEDHM CC1(C)CC[C@@H](C/N=C/c2ccccc2[O-])OC1 ZINC000887268859 592472896 /nfs/dbraw/zinc/47/28/96/592472896.db2.gz WXDHJGTUXKENCS-WFSQQTBHSA-N -1 3 247.338 3.016 20 30 BGEDHM CC(C)(C/N=C/c1ccccc1[O-])CC(F)F ZINC000887268872 592473060 /nfs/dbraw/zinc/47/30/60/592473060.db2.gz XDBSCDKAKDWUOP-LZYBPNLTSA-N -1 3 241.281 3.493 20 30 BGEDHM CC(C)(C/N=C\c1ccccc1[O-])CC(F)F ZINC000887268873 592473096 /nfs/dbraw/zinc/47/30/96/592473096.db2.gz XDBSCDKAKDWUOP-PXNMLYILSA-N -1 3 241.281 3.493 20 30 BGEDHM CC1(C)CO[C@H](CC/N=C/c2ccccc2[O-])C1 ZINC000887270294 592474604 /nfs/dbraw/zinc/47/46/04/592474604.db2.gz LCUOSSNGTVFRIN-BVTUPMQUSA-N -1 3 247.338 3.016 20 30 BGEDHM CC1(C)CO[C@@H](CC/N=C/c2ccccc2[O-])C1 ZINC000887270295 592474327 /nfs/dbraw/zinc/47/43/27/592474327.db2.gz LCUOSSNGTVFRIN-RKPNYOAGSA-N -1 3 247.338 3.016 20 30 BGEDHM C=CCCCN(CC)C(=O)c1c(C)cccc1[O-] ZINC000890809425 582571419 /nfs/dbraw/zinc/57/14/19/582571419.db2.gz UWXWWECRTKFZJD-UHFFFAOYSA-N -1 3 247.338 3.129 20 30 BGEDHM C=CCCCN(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000890811389 582572685 /nfs/dbraw/zinc/57/26/85/582572685.db2.gz CRWXRAYWHHUJLC-UHFFFAOYSA-N -1 3 247.338 3.129 20 30 BGEDHM C=CCCCN(CC)C(=O)c1ccc(C)cc1[O-] ZINC000890811390 582572910 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