smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(=C([O-])C=Cc1cccs1)c1cccc(F)n1 ZINC001357580064 937174463 /nfs/dbraw/zinc/17/44/63/937174463.db2.gz IBXCQWRQZVNZEW-XUIVZRPNSA-N -1 3 272.304 3.172 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1csc2cc(C)sc12 ZINC001452775750 937398798 /nfs/dbraw/zinc/39/87/98/937398798.db2.gz MESSOAATVPEMMZ-UHFFFAOYSA-N -1 3 281.402 3.438 20 30 CGEDHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001457995978 937448350 /nfs/dbraw/zinc/44/83/50/937448350.db2.gz XKAPPDAKJAURQC-GWNIPJSYSA-N -1 3 279.767 3.350 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](OC)c1cccc(OC)c1 ZINC001458011797 937448725 /nfs/dbraw/zinc/44/87/25/937448725.db2.gz QMKRRROUPQKGIP-OAHLLOKOSA-N -1 3 295.379 3.181 20 30 CGEDHM O=C([C@@H]1Cc2ccc(F)cc21)N([O-])Cc1ccc(F)cc1 ZINC001458026107 937449385 /nfs/dbraw/zinc/44/93/85/937449385.db2.gz LELWMNFAEIZCNW-OAHLLOKOSA-N -1 3 289.281 3.023 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1SCCc2ccccc21 ZINC001458021599 937449416 /nfs/dbraw/zinc/44/94/16/937449416.db2.gz HHSDQAQDYGAORZ-ZDUSSCGKSA-N -1 3 265.378 3.035 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1SCCc2ccccc21 ZINC001458021596 937449445 /nfs/dbraw/zinc/44/94/45/937449445.db2.gz HHSDQAQDYGAORZ-CYBMUJFWSA-N -1 3 265.378 3.035 20 30 CGEDHM CCCCN([O-])C(=O)Cc1ccc(OCC(C)C)cc1 ZINC001161832093 931986877 /nfs/dbraw/zinc/98/68/77/931986877.db2.gz JZNUOKKSDDZUFB-UHFFFAOYSA-N -1 3 279.380 3.282 20 30 CGEDHM CCC#C[C@H](C)Oc1cccc([O-])c1Br ZINC001229141009 932104376 /nfs/dbraw/zinc/10/43/76/932104376.db2.gz HFNFYTKMVISNDY-VIFPVBQESA-N -1 3 269.138 3.335 20 30 CGEDHM CCC#C[C@@H](C)Oc1cccc([O-])c1Br ZINC001229141008 932104503 /nfs/dbraw/zinc/10/45/03/932104503.db2.gz HFNFYTKMVISNDY-SECBINFHSA-N -1 3 269.138 3.335 20 30 CGEDHM Cc1cccc2c1nc(=O)[n-]c2O[C@@H](C#N)c1ccccc1 ZINC001229401658 932146552 /nfs/dbraw/zinc/14/65/52/932146552.db2.gz CLLSTBCNQHKDRI-AWEZNQCLSA-N -1 3 291.310 3.288 20 30 CGEDHM CC(=O)[C@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932147 932504946 /nfs/dbraw/zinc/50/49/46/932504946.db2.gz AIESDSJPMUNECG-FHXOWUIVSA-N -1 3 283.327 3.499 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@]12CCO[C@@H]1CCCC2 ZINC001306896820 932891519 /nfs/dbraw/zinc/89/15/19/932891519.db2.gz NFGVHYSKVPZMIC-UKRRQHHQSA-N -1 3 269.385 3.134 20 30 CGEDHM O=C(N([O-])CCCCc1ccccc1)C1(C(F)F)CC1 ZINC001306895993 932891888 /nfs/dbraw/zinc/89/18/88/932891888.db2.gz FAORMLVMVBRQEZ-UHFFFAOYSA-N -1 3 283.318 3.272 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cn2cc(C)ccc2n1 ZINC001306897435 932892714 /nfs/dbraw/zinc/89/27/14/932892714.db2.gz MQJUSHAETRRBLN-UHFFFAOYSA-N -1 3 275.352 3.054 20 30 CGEDHM Cc1cnc(Cl)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306899271 932892798 /nfs/dbraw/zinc/89/27/98/932892798.db2.gz XVTIWMHQAQKZLG-UHFFFAOYSA-N -1 3 294.713 3.214 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)CCOc1ccccc1 ZINC001306897346 932892840 /nfs/dbraw/zinc/89/28/40/932892840.db2.gz JDOOBAUZWFJXSD-CYBMUJFWSA-N -1 3 265.353 3.110 20 30 CGEDHM Cc1cc(C#N)nc([N-]c2ccn(C3CCCCC3)n2)n1 ZINC001326444035 934979640 /nfs/dbraw/zinc/97/96/40/934979640.db2.gz VXGGYNILUDSSTJ-UHFFFAOYSA-N -1 3 282.351 3.102 20 30 CGEDHM CC(C)(NCc1cccc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC001602953632 971930153 /nfs/dbraw/zinc/93/01/53/971930153.db2.gz DIHQDXVTINYJIJ-UHFFFAOYSA-N -1 3 294.354 3.281 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCC[C@H](C#N)C3)n[n-]2)o1 ZINC000839049416 958826821 /nfs/dbraw/zinc/82/68/21/958826821.db2.gz RIDCLPMUDHSWSO-RYUDHWBXSA-N -1 3 299.330 3.217 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCC[C@H](C#N)C3)[n-]n2)o1 ZINC000839049416 958826835 /nfs/dbraw/zinc/82/68/35/958826835.db2.gz RIDCLPMUDHSWSO-RYUDHWBXSA-N -1 3 299.330 3.217 20 30 CGEDHM C=CCO[N-]C(=O)CCc1cccc2ccccc21 ZINC001569150903 961706341 /nfs/dbraw/zinc/70/63/41/961706341.db2.gz QRLPFGDZHIWBEB-UHFFFAOYSA-N -1 3 255.317 3.006 20 30 CGEDHM C=C(C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccccc1 ZINC001588637373 963290205 /nfs/dbraw/zinc/29/02/05/963290205.db2.gz MWCSBARMLNYFSZ-CYBMUJFWSA-N -1 3 297.354 3.454 20 30 CGEDHM C=C(CC)CN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001588606585 963291191 /nfs/dbraw/zinc/29/11/91/963291191.db2.gz ASKKXFWCVSSNOQ-GFCCVEGCSA-N -1 3 253.729 3.022 20 30 CGEDHM C=CCCCSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588603205 963293452 /nfs/dbraw/zinc/29/34/52/963293452.db2.gz HFWRWPDIGKXWSP-UHFFFAOYSA-N -1 3 260.366 3.233 20 30 CGEDHM C=CCCCSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588603205 963293464 /nfs/dbraw/zinc/29/34/64/963293464.db2.gz HFWRWPDIGKXWSP-UHFFFAOYSA-N -1 3 260.366 3.233 20 30 CGEDHM C=CCCC(C)(C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001588777849 963314646 /nfs/dbraw/zinc/31/46/46/963314646.db2.gz NCFMBARXLZZGAN-SECBINFHSA-N -1 3 268.382 3.237 20 30 CGEDHM C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594219396 998842289 /nfs/dbraw/zinc/84/22/89/998842289.db2.gz IUALESXJAUXXMA-FRRDWIJNSA-N -1 3 286.375 3.123 20 30 CGEDHM CCc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)ccc1[O-] ZINC000589839131 346814671 /nfs/dbraw/zinc/81/46/71/346814671.db2.gz DKWNPZSCHMHVHA-GFCCVEGCSA-N -1 3 294.354 3.317 20 30 CGEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1C(C)(C)C ZINC000049458794 345073937 /nfs/dbraw/zinc/07/39/37/345073937.db2.gz UTDGVAMHCWHHRF-GFCCVEGCSA-N -1 3 296.374 3.086 20 30 CGEDHM N#Cc1nnc2ccccc2c1Sc1ccc([O-])cc1 ZINC000077489063 345575516 /nfs/dbraw/zinc/57/55/16/345575516.db2.gz QXWXINORHNJGGH-UHFFFAOYSA-N -1 3 279.324 3.358 20 30 CGEDHM N#Cc1cccc(C(=O)Nc2ccc([O-])c3ccccc23)n1 ZINC000589265766 346792166 /nfs/dbraw/zinc/79/21/66/346792166.db2.gz ULTQNERCDPFHER-UHFFFAOYSA-N -1 3 289.294 3.064 20 30 CGEDHM N#Cc1cc(-c2ccc(OC[C@@H]3CCCO3)cc2)ccc1[O-] ZINC000593953570 347122640 /nfs/dbraw/zinc/12/26/40/347122640.db2.gz OOMXHOZOTKNNJM-KRWDZBQOSA-N -1 3 295.338 3.489 20 30 CGEDHM N#CCCCCCC(=O)Nc1c([O-])cccc1Cl ZINC000594367019 347171923 /nfs/dbraw/zinc/17/19/23/347171923.db2.gz AVDOCOLGGRYGNW-UHFFFAOYSA-N -1 3 266.728 3.458 20 30 CGEDHM N#CC1(CNC(=O)c2cc([O-])ccc2Cl)CCCCC1 ZINC000598313406 347641912 /nfs/dbraw/zinc/64/19/12/347641912.db2.gz JJFBBBWWIZCHDD-UHFFFAOYSA-N -1 3 292.766 3.249 20 30 CGEDHM CSc1cc(C)c(C(=O)[N-]c2snc(C)c2C#N)o1 ZINC000598832099 347691856 /nfs/dbraw/zinc/69/18/56/347691856.db2.gz SSNRBTWCGUNYFA-UHFFFAOYSA-N -1 3 293.373 3.199 20 30 CGEDHM CN(Cc1cc([O-])ccc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000602982214 348052539 /nfs/dbraw/zinc/05/25/39/348052539.db2.gz PBZQLCUWOWZOAP-YGRLFVJLSA-N -1 3 264.756 3.170 20 30 CGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000604890735 348137136 /nfs/dbraw/zinc/13/71/36/348137136.db2.gz XUPUYDZOJUORRD-MRVPVSSYSA-N -1 3 294.203 3.236 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000628062636 350396197 /nfs/dbraw/zinc/39/61/97/350396197.db2.gz MCADDSKTIQGNOP-ZDUSSCGKSA-N -1 3 259.349 3.129 20 30 CGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cccc(Cl)c1 ZINC000108248238 186209293 /nfs/dbraw/zinc/20/92/93/186209293.db2.gz GYRUUAZTIKKTKX-AWEZNQCLSA-N -1 3 298.729 3.301 20 30 CGEDHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1cccc(C#N)c1 ZINC000336398360 213255847 /nfs/dbraw/zinc/25/58/47/213255847.db2.gz WEZAVQGFHQZBHA-SNVBAGLBSA-N -1 3 284.290 3.145 20 30 CGEDHM CC(C)c1ncc(C(=O)[N-]c2sccc2C#N)s1 ZINC000120973062 370819347 /nfs/dbraw/zinc/81/93/47/370819347.db2.gz AXDNCKFLZSNIFH-UHFFFAOYSA-N -1 3 277.374 3.452 20 30 CGEDHM [O-]c1ccccc1/C=N/[C@H]1CCOC2(CCCC2)C1 ZINC000128487914 370964232 /nfs/dbraw/zinc/96/42/32/370964232.db2.gz ILLNFMGTXNTYSN-IQGJIOQQSA-N -1 3 259.349 3.303 20 30 CGEDHM Cc1ccc(NC(=O)c2ccc(C#N)cc2C)c([O-])c1 ZINC000158067281 372050073 /nfs/dbraw/zinc/05/00/73/372050073.db2.gz RWIAACPFNVVJGR-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1nc(C)cs1)C1CC1 ZINC000293359856 372364380 /nfs/dbraw/zinc/36/43/80/372364380.db2.gz NYSINRKXUSJTAJ-JTQLQIEISA-N -1 3 286.347 3.230 20 30 CGEDHM CCc1cc(=O)[n-]c(CSCCCC(C)(C)C#N)n1 ZINC000161967520 372364931 /nfs/dbraw/zinc/36/49/31/372364931.db2.gz ATTHFLANENNPLK-UHFFFAOYSA-N -1 3 279.409 3.308 20 30 CGEDHM C[C@H](CC#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000171284740 372735577 /nfs/dbraw/zinc/73/55/77/372735577.db2.gz VFIGZKGKZWJCHT-CYBMUJFWSA-N -1 3 294.354 3.015 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@H](C)C[C@@H]2CCCO2)c1 ZINC000330439895 374464261 /nfs/dbraw/zinc/46/42/61/374464261.db2.gz OLKGOGVNGUGYEB-YPMHNXCESA-N -1 3 277.364 3.217 20 30 CGEDHM C[C@]1(NC(=O)c2csc(=O)[n-]2)CCCc2ccccc21 ZINC000329900263 374440355 /nfs/dbraw/zinc/44/03/55/374440355.db2.gz GAVWXCIICWGJSB-HNNXBMFYSA-N -1 3 288.372 3.405 20 30 CGEDHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329907585 374440596 /nfs/dbraw/zinc/44/05/96/374440596.db2.gz LARUYVZZZQKWKU-WCBMZHEXSA-N -1 3 286.422 3.218 20 30 CGEDHM CC(C)C1CCC(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000329957280 374444974 /nfs/dbraw/zinc/44/49/74/374444974.db2.gz QBYGAXPMIVSYMM-UHFFFAOYSA-N -1 3 268.382 3.368 20 30 CGEDHM CSc1cccc(C)c1[N-]C(=O)c1ccc(C#N)o1 ZINC000334375215 374694465 /nfs/dbraw/zinc/69/44/65/374694465.db2.gz UUCMPOCGYYDIOU-UHFFFAOYSA-N -1 3 272.329 3.434 20 30 CGEDHM CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000335394899 375269413 /nfs/dbraw/zinc/26/94/13/375269413.db2.gz JIKRRMDLNOBXLZ-UHFFFAOYSA-N -1 3 280.327 3.446 20 30 CGEDHM C=C(C)CO[N-]C(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000493267090 375466972 /nfs/dbraw/zinc/46/69/72/375466972.db2.gz NYSZIRHNSJFJJX-PDCNKGEESA-N -1 3 261.321 3.040 20 30 CGEDHM C=C[C@](C)(CC)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000190966279 375554908 /nfs/dbraw/zinc/55/49/08/375554908.db2.gz SNLHRERELPWVIY-OAHLLOKOSA-N -1 3 288.326 3.152 20 30 CGEDHM N#CC(=C([O-])c1ccccc1)c1cnc2ccccc2n1 ZINC000190970475 375557343 /nfs/dbraw/zinc/55/73/43/375557343.db2.gz YZIXVSPOZRHOBU-CYBMUJFWSA-N -1 3 273.295 3.120 20 30 CGEDHM C=CC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000508520154 375749106 /nfs/dbraw/zinc/74/91/06/375749106.db2.gz NKQVPUMOIKUCHF-UHFFFAOYSA-N -1 3 251.757 3.444 20 30 CGEDHM CCc1cc([O-])ccc1NC(=O)c1cscc1C#N ZINC000336567115 375836974 /nfs/dbraw/zinc/83/69/74/375836974.db2.gz MKKCSDSWVQIOPG-UHFFFAOYSA-N -1 3 272.329 3.140 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2cc[nH]c2C2CCC2)nc(C)n1 ZINC000565070534 377483104 /nfs/dbraw/zinc/48/31/04/377483104.db2.gz VBQFCFLIWXAYOF-AWEZNQCLSA-N -1 3 294.358 3.179 20 30 CGEDHM [O-]c1ccc(CN=Nc2ccc(F)cn2)cc1Cl ZINC000731318101 572406592 /nfs/dbraw/zinc/40/65/92/572406592.db2.gz IOIFXHZYJZGUNQ-UHFFFAOYSA-N -1 3 265.675 3.026 20 30 CGEDHM CCc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c([O-])c1 ZINC000408412934 380009153 /nfs/dbraw/zinc/00/91/53/380009153.db2.gz DRXRUVSYYUIOJE-HNNXBMFYSA-N -1 3 286.375 3.109 20 30 CGEDHM Cc1cc(OCc2ccccc2C#N)cc2occ([O-])c21 ZINC000642609668 380179356 /nfs/dbraw/zinc/17/93/56/380179356.db2.gz ZSYKVPODPXAWTL-UHFFFAOYSA-N -1 3 279.295 3.021 20 30 CGEDHM Cc1nc(NCc2ccc([O-])c(F)c2)c(Cl)cc1C#N ZINC000360080936 381440814 /nfs/dbraw/zinc/44/08/14/381440814.db2.gz BVWGJMJPGCRPHH-UHFFFAOYSA-N -1 3 291.713 3.372 20 30 CGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnc2ccccc12 ZINC000361983410 381879514 /nfs/dbraw/zinc/87/95/14/381879514.db2.gz ILUGWAPEVKQUAT-AWEZNQCLSA-N -1 3 287.322 3.428 20 30 CGEDHM CC(C)(C#N)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000361665765 381862644 /nfs/dbraw/zinc/86/26/44/381862644.db2.gz YYLNRPGJRRKBCM-OAHLLOKOSA-N -1 3 289.338 3.373 20 30 CGEDHM Cc1nsc([N-]C(=O)c2csc(C(C)C)n2)c1C#N ZINC000281212477 195150976 /nfs/dbraw/zinc/15/09/76/195150976.db2.gz QRCCDSKYFDRDRX-UHFFFAOYSA-N -1 3 292.389 3.155 20 30 CGEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979404 260021394 /nfs/dbraw/zinc/02/13/94/260021394.db2.gz NEENZJAROYEBTF-JTQLQIEISA-N -1 3 283.755 3.274 20 30 CGEDHM C=CCn1c(SCc2ccc(C)cc2C)n[n-]c1=O ZINC000412996656 393015430 /nfs/dbraw/zinc/01/54/30/393015430.db2.gz GNFYOVCLDMBVEH-UHFFFAOYSA-N -1 3 275.377 3.079 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1cc(C(F)F)ccc1F ZINC000650217706 397803107 /nfs/dbraw/zinc/80/31/07/397803107.db2.gz SADULBGKXJDQLL-UHFFFAOYSA-N -1 3 279.283 3.081 20 30 CGEDHM C=C(C)CN(CC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000078514897 177349115 /nfs/dbraw/zinc/34/91/15/177349115.db2.gz FUBFSMHJZXWQLM-UHFFFAOYSA-N -1 3 297.358 3.480 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000664193672 419856484 /nfs/dbraw/zinc/85/64/84/419856484.db2.gz WWANLIMFIRLBOV-LBPRGKRZSA-N -1 3 292.354 3.029 20 30 CGEDHM C=CCN(Cc1ccccc1)C(=O)/C=C/c1cncc([O-])c1 ZINC000179423365 260048177 /nfs/dbraw/zinc/04/81/77/260048177.db2.gz BJSBIFRWKMCPEW-CMDGGOBGSA-N -1 3 294.354 3.015 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)/C=C/c2cccc(C#N)c2)c1 ZINC000179605700 260057221 /nfs/dbraw/zinc/05/72/21/260057221.db2.gz VYGJJPKVKWJJDL-SOFGYWHQSA-N -1 3 278.311 3.224 20 30 CGEDHM C[C@]1(C/N=C/c2ccccc2[O-])OCCc2sccc21 ZINC000290649623 263117993 /nfs/dbraw/zinc/11/79/93/263117993.db2.gz WOXOFZMDXHDYEZ-FCNRDGCESA-N -1 3 287.384 3.361 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000292698678 263133709 /nfs/dbraw/zinc/13/37/09/263133709.db2.gz GLKKQPGCRCWDBO-UHFFFAOYSA-N -1 3 291.244 3.116 20 30 CGEDHM N#C[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])CC12CCCC2 ZINC000296604156 263194278 /nfs/dbraw/zinc/19/42/78/263194278.db2.gz SXILBZKXRYBSGS-OAHLLOKOSA-N -1 3 290.750 3.458 20 30 CGEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000299330821 263239977 /nfs/dbraw/zinc/23/99/77/263239977.db2.gz GEESLBHAJWIZNM-JJLFXSABSA-N -1 3 284.359 3.158 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2cnc(C(C)(C)C)s2)n1 ZINC000330793145 264039476 /nfs/dbraw/zinc/03/94/76/264039476.db2.gz CHPFTVJNRJVQAN-UHFFFAOYSA-N -1 3 291.376 3.486 20 30 CGEDHM CC[C@H](C)[C@H](NC(=O)c1csc(=O)[n-]1)C(F)(F)F ZINC000331021649 264098791 /nfs/dbraw/zinc/09/87/91/264098791.db2.gz SIBQDEFBMIYIIT-FSPLSTOPSA-N -1 3 282.287 3.130 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@]2(C)CCCOC2)c([O-])c1 ZINC000331235532 264174215 /nfs/dbraw/zinc/17/42/15/264174215.db2.gz LWBXWUHXEAMFOO-MRXNPFEDSA-N -1 3 277.364 3.389 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)n[n-]2)o1 ZINC000193042219 267369504 /nfs/dbraw/zinc/36/95/04/267369504.db2.gz XOUFZTUFNLHXOU-UHFFFAOYSA-N -1 3 292.298 3.102 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)[n-]n2)o1 ZINC000193042219 267369508 /nfs/dbraw/zinc/36/95/08/267369508.db2.gz XOUFZTUFNLHXOU-UHFFFAOYSA-N -1 3 292.298 3.102 20 30 CGEDHM CCc1cccc(C(=O)NCC2CCC(C#N)CC2)c1[O-] ZINC000559783839 327261630 /nfs/dbraw/zinc/26/16/30/327261630.db2.gz HAJXIVXVERGTOP-UHFFFAOYSA-N -1 3 286.375 3.014 20 30 CGEDHM C=CCCCCCSc1ncc(C(=O)OC)[n-]1 ZINC000193539753 329058848 /nfs/dbraw/zinc/05/88/48/329058848.db2.gz SWJOWUZTKKDLQO-UHFFFAOYSA-N -1 3 254.355 3.035 20 30 CGEDHM N#CCC[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000182883156 329245766 /nfs/dbraw/zinc/24/57/66/329245766.db2.gz XDNUDLUFXODHIZ-MRXNPFEDSA-N -1 3 280.327 3.167 20 30 CGEDHM C=CCN(CCc1ccco1)C(=O)c1ccc([O-])c(CC)c1 ZINC000487181497 331958524 /nfs/dbraw/zinc/95/85/24/331958524.db2.gz QSCJFRYBJGRDGB-UHFFFAOYSA-N -1 3 299.370 3.419 20 30 CGEDHM COC(=O)Nc1cccc(N=Cc2ccccc2[O-])c1 ZINC000490674912 332102175 /nfs/dbraw/zinc/10/21/75/332102175.db2.gz QHUPABZKNQAVIW-UHFFFAOYSA-N -1 3 270.288 3.321 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1cccc(OC(C)C)c1 ZINC000493499263 332442787 /nfs/dbraw/zinc/44/27/87/332442787.db2.gz ZYIRIKPBANOGTI-XPSMFNQNSA-N -1 3 275.348 3.109 20 30 CGEDHM Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c([O-])c1 ZINC000555902689 334491699 /nfs/dbraw/zinc/49/16/99/334491699.db2.gz NNQLZWJODOULFQ-KRWDZBQOSA-N -1 3 286.375 3.293 20 30 CGEDHM CC(=O)c1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1[O-] ZINC000567956684 517369825 /nfs/dbraw/zinc/36/98/25/517369825.db2.gz VWZNMJHCONHDCX-QGZVFWFLSA-N -1 3 298.342 3.007 20 30 CGEDHM Cc1ccc2snc(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000344739211 534547520 /nfs/dbraw/zinc/54/75/20/534547520.db2.gz MUALMDUVRNFWEX-GFCCVEGCSA-N -1 3 293.351 3.490 20 30 CGEDHM C=CCC(C)(C)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000352541207 527002960 /nfs/dbraw/zinc/00/29/60/527002960.db2.gz VDABEZUXGSRENG-UHFFFAOYSA-N -1 3 281.783 3.307 20 30 CGEDHM CCCC[C@@H]1CCC[C@@H]1/N=C\c1c([O-])c(C)ncc1CO ZINC000727781900 571768778 /nfs/dbraw/zinc/76/87/78/571768778.db2.gz ZPMQJXAYCUSJNF-LRZFIDCISA-N -1 3 290.407 3.366 20 30 CGEDHM Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728232928 571797311 /nfs/dbraw/zinc/79/73/11/571797311.db2.gz YFHUUIZXMNBXAX-ALCCZGGFSA-N -1 3 290.750 3.292 20 30 CGEDHM Cc1cccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738709844 572389331 /nfs/dbraw/zinc/38/93/31/572389331.db2.gz XPDFMKQBAZWXKW-KRWDZBQOSA-N -1 3 294.354 3.124 20 30 CGEDHM CCOc1ccc(/C=N/C[C@@H](O)c2ccsc2)c([O-])c1 ZINC000739425683 572414326 /nfs/dbraw/zinc/41/43/26/572414326.db2.gz GYIWDCRPSMRVKE-FUXXUDPSSA-N -1 3 291.372 3.005 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=Nn1cnc2ccccc21 ZINC000725848977 572441407 /nfs/dbraw/zinc/44/14/07/572441407.db2.gz NJTRYQMRVOBWEG-UHFFFAOYSA-N -1 3 271.707 3.278 20 30 CGEDHM Cc1nc(Cl)cc(NN=Cc2cc(Cl)ccc2[O-])n1 ZINC000741766241 572592768 /nfs/dbraw/zinc/59/27/68/572592768.db2.gz PYAFBHLLZXUQQY-UHFFFAOYSA-N -1 3 297.145 3.243 20 30 CGEDHM Cc1nc(Cl)cc(N=NCc2cc(Cl)ccc2[O-])n1 ZINC000741766241 572592772 /nfs/dbraw/zinc/59/27/72/572592772.db2.gz PYAFBHLLZXUQQY-UHFFFAOYSA-N -1 3 297.145 3.243 20 30 CGEDHM C#CCOc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000743272303 572645011 /nfs/dbraw/zinc/64/50/11/572645011.db2.gz SNQKKTOHTVAIHU-UHFFFAOYSA-N -1 3 292.294 3.121 20 30 CGEDHM C=CCCCCCN(C)Cc1cc(C(=O)[O-])oc1C ZINC000736097309 572769087 /nfs/dbraw/zinc/76/90/87/572769087.db2.gz GAHJXPPPOQZVRA-UHFFFAOYSA-N -1 3 265.353 3.464 20 30 CGEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000736663390 572803961 /nfs/dbraw/zinc/80/39/61/572803961.db2.gz YKVAUGWSYKEALL-BZNIZROVSA-N -1 3 298.317 3.174 20 30 CGEDHM CCCNN=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000749447754 573004645 /nfs/dbraw/zinc/00/46/45/573004645.db2.gz XHMHVNVDPPUBNK-UHFFFAOYSA-N -1 3 254.333 3.393 20 30 CGEDHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000820141998 598175956 /nfs/dbraw/zinc/17/59/56/598175956.db2.gz LPWVNDFOKKJACG-LBPRGKRZSA-N -1 3 280.327 3.107 20 30 CGEDHM C#CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000819700956 605132980 /nfs/dbraw/zinc/13/29/80/605132980.db2.gz SSWJAEBJJWRWKE-QGZVFWFLSA-N -1 3 279.339 3.239 20 30 CGEDHM CC1(C)CCCC(=Cc2cc(-c3nnn[n-]3)cs2)C1=O ZINC000820589997 606860211 /nfs/dbraw/zinc/86/02/11/606860211.db2.gz OUGLONSIUBGKNZ-RMKNXTFCSA-N -1 3 288.376 3.091 20 30 CGEDHM CC1(C)CCCC(=Cc2cc(-c3nn[n-]n3)cs2)C1=O ZINC000820589997 606860212 /nfs/dbraw/zinc/86/02/12/606860212.db2.gz OUGLONSIUBGKNZ-RMKNXTFCSA-N -1 3 288.376 3.091 20 30 CGEDHM C=C(CC)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000823878397 608289393 /nfs/dbraw/zinc/28/93/93/608289393.db2.gz XPPXJLUEKRLKFX-UHFFFAOYSA-N -1 3 287.367 3.032 20 30 CGEDHM C=C(CC)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823878397 608289395 /nfs/dbraw/zinc/28/93/95/608289395.db2.gz XPPXJLUEKRLKFX-UHFFFAOYSA-N -1 3 287.367 3.032 20 30 CGEDHM O=C(C1CCC1)N([O-])Cc1cccc2ccccc21 ZINC000900091604 620760984 /nfs/dbraw/zinc/76/09/84/620760984.db2.gz DAHSXOFZOCVDBX-UHFFFAOYSA-N -1 3 255.317 3.358 20 30 CGEDHM O=C(c1cncc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000900094368 620761090 /nfs/dbraw/zinc/76/10/90/620761090.db2.gz MNFANAAMOXBRCV-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2ccc(OC(F)F)cc2)c1O ZINC000255200353 618071576 /nfs/dbraw/zinc/07/15/76/618071576.db2.gz HTHLREFLFFQOAT-UHFFFAOYSA-N -1 3 295.241 3.155 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cl)cc2)c1O ZINC000255840152 618797766 /nfs/dbraw/zinc/79/77/66/618797766.db2.gz BQEKSFBGSUTMQO-UHFFFAOYSA-N -1 3 263.680 3.207 20 30 CGEDHM CCCCCCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212752 619029962 /nfs/dbraw/zinc/02/99/62/619029962.db2.gz HXDFRRXEGAVMDW-UHFFFAOYSA-N -1 3 291.395 3.212 20 30 CGEDHM C#CCN(C(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC000928625265 620053925 /nfs/dbraw/zinc/05/39/25/620053925.db2.gz STUIZRYWFNRAOO-UHFFFAOYSA-N -1 3 273.357 3.091 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@]12C[C@H]1COC21CCC1 ZINC000899233002 620629401 /nfs/dbraw/zinc/62/94/01/620629401.db2.gz ZMIRJASWGPUAKW-BMRGBJEYSA-N -1 3 291.778 3.424 20 30 CGEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)[C@@H]1CCCCO1 ZINC000901372572 620863457 /nfs/dbraw/zinc/86/34/57/620863457.db2.gz HSYFLTMYHKABAY-AWEZNQCLSA-N -1 3 295.354 3.139 20 30 CGEDHM CC(C)C[C@H](C)OCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372631 620864216 /nfs/dbraw/zinc/86/42/16/620864216.db2.gz JNPRTBCVPRKPFO-ZDUSSCGKSA-N -1 3 297.370 3.385 20 30 CGEDHM COCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCCC1 ZINC000901372122 620866268 /nfs/dbraw/zinc/86/62/68/620866268.db2.gz RJFAKWYXXIMIMT-UHFFFAOYSA-N -1 3 295.354 3.140 20 30 CGEDHM C[C@@H]1CCCC[C@H]1OCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372185 620866591 /nfs/dbraw/zinc/86/65/91/620866591.db2.gz UELSTWJGFCBLID-IUODEOHRSA-N -1 3 295.354 3.139 20 30 CGEDHM O=C(CSc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000901375914 620868238 /nfs/dbraw/zinc/86/82/38/620868238.db2.gz NQAMKVJQCWARBU-UHFFFAOYSA-N -1 3 291.347 3.336 20 30 CGEDHM C#CCN(Cc1ccc(/C=C/C(=O)[O-])o1)C1CCCCC1 ZINC000902515347 621359248 /nfs/dbraw/zinc/35/92/48/621359248.db2.gz VCMITUMQGPXWRL-ZHACJKMWSA-N -1 3 287.359 3.145 20 30 CGEDHM C=CCCCCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903956613 621843279 /nfs/dbraw/zinc/84/32/79/621843279.db2.gz DNFUUVRTDYHJNG-UHFFFAOYSA-N -1 3 289.375 3.326 20 30 CGEDHM N#CCCCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177960 621885480 /nfs/dbraw/zinc/88/54/80/621885480.db2.gz UVPRHIRCWCALCC-UHFFFAOYSA-N -1 3 264.300 3.018 20 30 CGEDHM CCCCCCN([O-])C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000904204911 621889392 /nfs/dbraw/zinc/88/93/92/621889392.db2.gz VPGBGNSXUAPMGQ-LBPRGKRZSA-N -1 3 298.408 3.406 20 30 CGEDHM C=C(C)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000755990590 625669688 /nfs/dbraw/zinc/66/96/88/625669688.db2.gz DKZPMLAINKUDLI-SNVBAGLBSA-N -1 3 260.293 3.100 20 30 CGEDHM C=C(C)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000755990590 625669698 /nfs/dbraw/zinc/66/96/98/625669698.db2.gz DKZPMLAINKUDLI-SNVBAGLBSA-N -1 3 260.293 3.100 20 30 CGEDHM CCCCCCCC/N=C/c1c([O-])c(C)ncc1CO ZINC000754685527 623925880 /nfs/dbraw/zinc/92/58/80/623925880.db2.gz FWMUIIDWCUILHR-GZTJUZNOSA-N -1 3 278.396 3.367 20 30 CGEDHM CC(=NNCc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000915974448 624085944 /nfs/dbraw/zinc/08/59/44/624085944.db2.gz FXDMELBPVRDCAQ-UHFFFAOYSA-N -1 3 294.276 3.323 20 30 CGEDHM CCn1nccc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000753711412 626462967 /nfs/dbraw/zinc/46/29/67/626462967.db2.gz KGQKAYOCAHDWSQ-ANHFWZFOSA-N -1 3 286.306 3.131 20 30 CGEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000761787558 627060717 /nfs/dbraw/zinc/06/07/17/627060717.db2.gz YRTKIGNGNNKRJE-XBTXGSBDSA-N -1 3 267.756 3.280 20 30 CGEDHM N#Cc1ccc(CNN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000769821190 627581348 /nfs/dbraw/zinc/58/13/48/627581348.db2.gz PNSWGAVZZVUBPA-UHFFFAOYSA-N -1 3 285.734 3.041 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)CC2CCCCC2)c1[O-] ZINC000772155226 627768446 /nfs/dbraw/zinc/76/84/46/627768446.db2.gz PDDLWLCVPKYAOL-NNLQFVHNSA-N -1 3 290.407 3.366 20 30 CGEDHM CCCCCCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000773328800 627874021 /nfs/dbraw/zinc/87/40/21/627874021.db2.gz LBICVNXDEDVQBD-UHFFFAOYSA-N -1 3 273.398 3.227 20 30 CGEDHM Cc1cc(Cl)cc(C=NO[C@H]2CCCCO2)c1[O-] ZINC000774584918 628006867 /nfs/dbraw/zinc/00/68/67/628006867.db2.gz FTQTWGDVBKYPQB-LBPRGKRZSA-N -1 3 269.728 3.231 20 30 CGEDHM [O-]c1ccc(Br)cc1C=NOC1CCCC1 ZINC000774601253 628008130 /nfs/dbraw/zinc/00/81/30/628008130.db2.gz BFMMPJAMBUMZFM-UHFFFAOYSA-N -1 3 284.153 3.448 20 30 CGEDHM C=CCC[C@@H](NCc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000775463333 628097487 /nfs/dbraw/zinc/09/74/87/628097487.db2.gz KBASDPKPVSRRFO-OAHLLOKOSA-N -1 3 283.375 3.288 20 30 CGEDHM CC[C@@H]1CCCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000779772738 628428197 /nfs/dbraw/zinc/42/81/97/628428197.db2.gz XZNUQLKLQGNGKX-CQSZACIVSA-N -1 3 294.420 3.062 20 30 CGEDHM O=C1c2ccccc2CN1N=Cc1cc(Cl)ccc1[O-] ZINC000781598421 628577389 /nfs/dbraw/zinc/57/73/89/628577389.db2.gz DNNWRXKYEFKAKN-UHFFFAOYSA-N -1 3 286.718 3.036 20 30 CGEDHM N#Cc1cc(COC(=O)c2cc3occc3[n-]2)ccc1F ZINC000786029672 628908122 /nfs/dbraw/zinc/90/81/22/628908122.db2.gz PIRAEVXLXYRVKK-UHFFFAOYSA-N -1 3 284.246 3.129 20 30 CGEDHM [O-]c1cccc(Cl)c1C=NNC1CCCCC1 ZINC000786041069 628909964 /nfs/dbraw/zinc/90/99/64/628909964.db2.gz UUSWFULASDMPNA-UHFFFAOYSA-N -1 3 252.745 3.302 20 30 CGEDHM C#CCOc1ccccc1NC(=O)c1ccc(CC)cc1[O-] ZINC000787301628 629008022 /nfs/dbraw/zinc/00/80/22/629008022.db2.gz JXIASPCKOOGCMH-UHFFFAOYSA-N -1 3 295.338 3.219 20 30 CGEDHM Cc1cccnc1NN=Cc1c([O-])cccc1Cl ZINC000790185061 629190365 /nfs/dbraw/zinc/19/03/65/629190365.db2.gz AGHABOVWOYTCJG-UHFFFAOYSA-N -1 3 261.712 3.195 20 30 CGEDHM CC(=NNc1ncccc1C)c1ccc([O-])c(F)c1 ZINC000790192906 629192392 /nfs/dbraw/zinc/19/23/92/629192392.db2.gz JSAYCUXPBXMJAX-UHFFFAOYSA-N -1 3 259.284 3.071 20 30 CGEDHM CC1(CNN=Cc2c(F)ccc([O-])c2F)CCCC1 ZINC000793084552 629410189 /nfs/dbraw/zinc/41/01/89/629410189.db2.gz PTSFEBBFJLZQFP-UHFFFAOYSA-N -1 3 268.307 3.174 20 30 CGEDHM CO[C@H](CN=Nc1nc2ccccc2[n-]c1=S)C1CC1 ZINC000863124963 629479958 /nfs/dbraw/zinc/47/99/58/629479958.db2.gz IVVPVFOUYMDYNQ-GFCCVEGCSA-N -1 3 288.376 3.115 20 30 CGEDHM S=c1[n-]c2ccccc2nc1N=NCC1CCOCC1 ZINC000863128251 629481128 /nfs/dbraw/zinc/48/11/28/629481128.db2.gz INZQJUVSLHGXTC-UHFFFAOYSA-N -1 3 288.376 3.117 20 30 CGEDHM CCCCCCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000863363213 629551200 /nfs/dbraw/zinc/55/12/00/629551200.db2.gz RAZJXXMHGCFUSF-UHFFFAOYSA-N -1 3 280.397 3.131 20 30 CGEDHM CC1(C)CCC[C@@H]1NN=Cc1c(F)ccc([O-])c1F ZINC000794538291 629551880 /nfs/dbraw/zinc/55/18/80/629551880.db2.gz PZASEQLRYKZZFG-LBPRGKRZSA-N -1 3 268.307 3.173 20 30 CGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cscn1 ZINC000794944391 629604319 /nfs/dbraw/zinc/60/43/19/629604319.db2.gz AWZXQFYIXOFESF-IWQZZHSRSA-N -1 3 267.256 3.023 20 30 CGEDHM COc1ccccc1CON=C(C)c1cc(F)ccc1[O-] ZINC000799117976 630146868 /nfs/dbraw/zinc/14/68/68/630146868.db2.gz QYHGLEJAIJTXJI-UHFFFAOYSA-N -1 3 289.306 3.481 20 30 CGEDHM CC(C)(C)n1ncnc1C/N=C\c1cc(Cl)ccc1[O-] ZINC000800721557 630295380 /nfs/dbraw/zinc/29/53/80/630295380.db2.gz OLKVCGGTPJHWML-APSNUPSMSA-N -1 3 292.770 3.011 20 30 CGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1F ZINC000811186245 631041173 /nfs/dbraw/zinc/04/11/73/631041173.db2.gz IGFFXBJUIJLMIP-SNVBAGLBSA-N -1 3 285.274 3.321 20 30 CGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC000811186481 631042076 /nfs/dbraw/zinc/04/20/76/631042076.db2.gz PCIIQTFVOAQELJ-JTQLQIEISA-N -1 3 285.274 3.321 20 30 CGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811187214 631042137 /nfs/dbraw/zinc/04/21/37/631042137.db2.gz MPFUWGWPIWKHFD-LLVKDONJSA-N -1 3 267.284 3.182 20 30 CGEDHM C=CCO[N-]C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000837045815 634846778 /nfs/dbraw/zinc/84/67/78/634846778.db2.gz BAPDQBHFMQMVDQ-SNVBAGLBSA-N -1 3 298.180 3.177 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccccc1C(F)(F)F ZINC000869154616 633409843 /nfs/dbraw/zinc/40/98/43/633409843.db2.gz WTLMTGLTGJGXSC-JTQLQIEISA-N -1 3 287.281 3.260 20 30 CGEDHM CCN(Cc1c([O-])cc(C)cc1Cl)C[C@H](C)C#N ZINC000840909863 635079957 /nfs/dbraw/zinc/07/99/57/635079957.db2.gz AJHDGHHEFJUGDU-LLVKDONJSA-N -1 3 266.772 3.336 20 30 CGEDHM C=C(C)CO[N-]C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000846535580 636194017 /nfs/dbraw/zinc/19/40/17/636194017.db2.gz FVUGXDVOHMIYKT-UHFFFAOYSA-N -1 3 279.767 3.287 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCCC(=O)c1ccccc1 ZINC000846538513 636194940 /nfs/dbraw/zinc/19/49/40/636194940.db2.gz JAYNTZQOXCLTMO-UHFFFAOYSA-N -1 3 275.348 3.054 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1ccc(CCC)cc1 ZINC000846541887 636197590 /nfs/dbraw/zinc/19/75/90/636197590.db2.gz OWKQELNKTPIFSH-CYBMUJFWSA-N -1 3 289.375 3.224 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCCS1 ZINC000129345344 636220543 /nfs/dbraw/zinc/22/05/43/636220543.db2.gz LEIPWOAREAZUFP-NGPAHMQLSA-N -1 3 255.770 3.360 20 30 CGEDHM O=C(C#Cc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000129450964 636263143 /nfs/dbraw/zinc/26/31/43/636263143.db2.gz GGGANOQLYBKUQZ-UHFFFAOYSA-N -1 3 271.703 3.036 20 30 CGEDHM C[C@@H]1CCC[C@@H](C/N=C/c2cc(Cl)ccc2[O-])O1 ZINC000849172152 636764378 /nfs/dbraw/zinc/76/43/78/636764378.db2.gz MZPGMFYQADZZNP-DAQGGLHGSA-N -1 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281.400 3.014 20 30 CGEDHM N#C[C@@H](Nc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001161721045 806433495 /nfs/dbraw/zinc/43/34/95/806433495.db2.gz INJCVEWOAFPOOU-QAEAHILHSA-N -1 3 251.289 3.171 20 30 CGEDHM CCCCCCN([O-])C(=O)COc1ccc2c(c1)CCC2 ZINC001161818924 806463138 /nfs/dbraw/zinc/46/31/38/806463138.db2.gz IXNSZIZMSMCXGX-UHFFFAOYSA-N -1 3 291.391 3.352 20 30 CGEDHM N#CC[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001161843075 806469256 /nfs/dbraw/zinc/46/92/56/806469256.db2.gz ZYUZCRNTHGVDAI-MRXNPFEDSA-N -1 3 298.317 3.241 20 30 CGEDHM CC1(C)OCC[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000840707165 800499156 /nfs/dbraw/zinc/49/91/56/800499156.db2.gz OBMMWWPQSOHLDN-IYVNWDGISA-N -1 3 253.729 3.032 20 30 CGEDHM COc1cc(O)ccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001243980539 803118268 /nfs/dbraw/zinc/11/82/68/803118268.db2.gz OZUNGOMLQZYAPD-ICFOKQHNSA-N -1 3 269.300 3.192 20 30 CGEDHM Cc1nn(C)c2cc(-c3ccccc3C=N[O-])ccc12 ZINC001244237989 803256244 /nfs/dbraw/zinc/25/62/44/803256244.db2.gz 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BUWWAFNHUDWAMW-UHFFFAOYSA-N -1 3 282.181 3.329 20 30 CGEDHM N#Cc1cc(F)c(Nc2cccc([O-])c2F)cc1F ZINC001212550671 815064097 /nfs/dbraw/zinc/06/40/97/815064097.db2.gz YXJJJHWXLQRSAY-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1ccc(F)c(F)c1Nc1c([O-])cccc1F ZINC001249996243 805353646 /nfs/dbraw/zinc/35/36/46/805353646.db2.gz HHZSEVFNXMXEKZ-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1cc(CCC(=O)c2ccc(F)cc2)ccc1[O-] ZINC001250028274 805377896 /nfs/dbraw/zinc/37/78/96/805377896.db2.gz QDQOTFXJMBTGRV-UHFFFAOYSA-N -1 3 269.275 3.218 20 30 CGEDHM C#Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C)cc1 ZINC001260998988 807709513 /nfs/dbraw/zinc/70/95/13/807709513.db2.gz LPMXPASIUVIWDQ-UHFFFAOYSA-N -1 3 285.368 3.086 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(N3CCCCC3)nc2)c1 ZINC001174525211 809060986 /nfs/dbraw/zinc/06/09/86/809060986.db2.gz ZQJOJLVVKTZWJK-UHFFFAOYSA-N -1 3 294.358 3.393 20 30 CGEDHM COc1ccc(Nc2ccc([O-])c(C#N)c2)c(F)c1F ZINC001175027140 809245144 /nfs/dbraw/zinc/24/51/44/809245144.db2.gz 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/nfs/dbraw/zinc/36/85/65/817368565.db2.gz BKTGVFKJATVNSH-BDJLRTHQSA-N -1 3 292.379 3.026 20 30 CGEDHM N#C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226595594 817408339 /nfs/dbraw/zinc/40/83/39/817408339.db2.gz FNKKOKHTGJZNBP-AWEZNQCLSA-N -1 3 293.278 3.142 20 30 CGEDHM CC(C)[C@H](Oc1cc(C#N)ccc1[O-])C(F)(F)F ZINC001227344919 817628266 /nfs/dbraw/zinc/62/82/66/817628266.db2.gz HAHBVXFVSHCRSV-NSHDSACASA-N -1 3 259.227 3.230 20 30 CGEDHM Cc1ccc([C@@H](C)Oc2cc(C#N)ccc2[O-])cn1 ZINC001227350487 817629961 /nfs/dbraw/zinc/62/99/61/817629961.db2.gz NQMUCBFGKKGKGH-LLVKDONJSA-N -1 3 254.289 3.107 20 30 CGEDHM N#CC1CC(Oc2cc(C(=O)c3ccccc3)ccc2[O-])C1 ZINC001228154511 817826982 /nfs/dbraw/zinc/82/69/82/817826982.db2.gz MUUDZFHAAVYXEZ-UHFFFAOYSA-N -1 3 293.322 3.304 20 30 CGEDHM N#CC1CC(Oc2cc(-c3ccccc3)nc(=S)[n-]2)C1 ZINC001228347119 817883752 /nfs/dbraw/zinc/88/37/52/817883752.db2.gz QBBCKCLIFPQOBG-UHFFFAOYSA-N -1 3 283.356 3.113 20 30 CGEDHM C=CC[C@H](CCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686584 817973440 /nfs/dbraw/zinc/97/34/40/817973440.db2.gz OTXYFZJHOJUNDE-SNVBAGLBSA-N -1 3 266.297 3.127 20 30 CGEDHM N#C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228852700 818021758 /nfs/dbraw/zinc/02/17/58/818021758.db2.gz CKVRAGSXRAEUCV-KRWDZBQOSA-N -1 3 279.295 3.165 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233803891 818708492 /nfs/dbraw/zinc/70/84/92/818708492.db2.gz UMZGAMDUXNPZQN-QCUKBLKESA-N -1 3 287.359 3.486 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1ccc(C)nc1 ZINC001233802478 818708824 /nfs/dbraw/zinc/70/88/24/818708824.db2.gz GOYWIMOPUNJUFV-BEAUZRKQSA-N -1 3 286.331 3.347 20 30 CGEDHM N#CC1CCC(Oc2nc[n-]c(=O)c2-c2ccccc2)CC1 ZINC001234687814 818914370 /nfs/dbraw/zinc/91/43/70/818914370.db2.gz BWLZYIYAEFLUQC-UHFFFAOYSA-N -1 3 295.342 3.310 20 30 CGEDHM C=C[C@H](CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693321 818918759 /nfs/dbraw/zinc/91/87/59/818918759.db2.gz WEVVXWRYGVGEJT-GFCCVEGCSA-N -1 3 256.305 3.193 20 30 CGEDHM C=CCOc1cc(C)nc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900496 819210827 /nfs/dbraw/zinc/21/08/27/819210827.db2.gz OBCQAXGQMCZWPC-UHFFFAOYSA-N -1 3 276.723 3.376 20 30 CGEDHM CC(C)Oc1cncc(-c2cccc(/C=N/[O-])c2)c1 ZINC001236519993 819513880 /nfs/dbraw/zinc/51/38/80/819513880.db2.gz NMTMEMQHZBIAML-CAOOACKPSA-N -1 3 256.305 3.344 20 30 CGEDHM N#CC[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237937393 819890707 /nfs/dbraw/zinc/89/07/07/819890707.db2.gz PTVVGKRZCWCPQU-SNVBAGLBSA-N -1 3 282.746 3.310 20 30 CGEDHM COc1ncc(-c2ccc(C(F)(F)F)cc2[O-])cc1C#N ZINC001243607807 823465803 /nfs/dbraw/zinc/46/58/03/823465803.db2.gz YLWKZIWZYOAPNI-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM Cn1ncc2ccc(-c3ccccc3C=N[O-])cc21 ZINC001240311375 820954746 /nfs/dbraw/zinc/95/47/46/820954746.db2.gz YBJNHTHGGWUQHP-UHFFFAOYSA-N -1 3 251.289 3.048 20 30 CGEDHM Cn1ncc2ccc(-c3ccc(/C=N/[O-])c(F)c3)cc21 ZINC001240311779 820954779 /nfs/dbraw/zinc/95/47/79/820954779.db2.gz YNIOVHGOMOVXIH-GIJQJNRQSA-N -1 3 269.279 3.188 20 30 CGEDHM CCOC(=O)c1cc(-c2cc(F)ccc2[O-])ccc1C#N ZINC001240698696 821255513 /nfs/dbraw/zinc/25/55/13/821255513.db2.gz URIUFUXFBRDUGX-UHFFFAOYSA-N -1 3 285.274 3.247 20 30 CGEDHM Cc1c[nH]c2ncc(-c3ccc(/C=N/[O-])c(F)c3)cc12 ZINC001240963811 821450063 /nfs/dbraw/zinc/45/00/63/821450063.db2.gz VVDUZXGKCZSKBN-UFWORHAWSA-N -1 3 269.279 3.486 20 30 CGEDHM N#CC1(c2ccnc(-c3cc([O-])cc(F)c3)c2)CC1 ZINC001241261456 821680898 /nfs/dbraw/zinc/68/08/98/821680898.db2.gz OOHYOINXXOQPCQ-UHFFFAOYSA-N -1 3 254.264 3.148 20 30 CGEDHM [O-]/N=C/c1ccc(-c2cnc3cccnc3c2)cc1F ZINC001241384721 821785259 /nfs/dbraw/zinc/78/52/59/821785259.db2.gz HWZWDPBQIKKXMG-DJKKODMXSA-N -1 3 267.263 3.244 20 30 CGEDHM [O-]N=Cc1ccccc1-c1ccc(-n2cccn2)cc1 ZINC001241394910 821792723 /nfs/dbraw/zinc/79/27/23/821792723.db2.gz BIDUQXPURFZIES-UHFFFAOYSA-N -1 3 263.300 3.347 20 30 CGEDHM Cc1n[nH]c2ccc(-c3cc(C=N[O-])ccc3F)cc12 ZINC001241670421 822054090 /nfs/dbraw/zinc/05/40/90/822054090.db2.gz KJWHTVQJCVBYPA-CAOOACKPSA-N -1 3 269.279 3.486 20 30 CGEDHM CCc1ncccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001242523618 823019031 /nfs/dbraw/zinc/01/90/31/823019031.db2.gz KMOHRZLRFFIVHU-VLGSPTGOSA-N -1 3 252.317 3.436 20 30 CGEDHM Cc1ccncc1CC(=O)N([O-])CCCCc1ccccc1 ZINC001472619194 937100131 /nfs/dbraw/zinc/10/01/31/937100131.db2.gz AJLVUNCYDPCAPJ-UHFFFAOYSA-N -1 3 298.386 3.173 20 30 CGEDHM COCc1ccc(-c2ccc([O-])c(C#N)c2)c(C)c1 ZINC001242566051 928105917 /nfs/dbraw/zinc/10/59/17/928105917.db2.gz GTYUZKLDJWWXFL-UHFFFAOYSA-N -1 3 253.301 3.386 20 30 CGEDHM Cc1cc(C)n(CCC/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000005289572 928124555 /nfs/dbraw/zinc/12/45/55/928124555.db2.gz YTVTUEXWGYFLDQ-LICLKQGHSA-N -1 3 291.782 3.368 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001458011796 937448431 /nfs/dbraw/zinc/44/84/31/937448431.db2.gz QMKRRROUPQKGIP-HNNXBMFYSA-N -1 3 295.379 3.181 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@H]1OCCc2ccccc21 ZINC001458009402 937448648 /nfs/dbraw/zinc/44/86/48/937448648.db2.gz DKPGKJDRKCUHLV-MRXNPFEDSA-N -1 3 291.391 3.489 20 30 CGEDHM CCC#C[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099437 932094370 /nfs/dbraw/zinc/09/43/70/932094370.db2.gz KFHOWYDBDAVVDQ-QMMMGPOBSA-N -1 3 285.137 3.041 20 30 CGEDHM C/C(=N\[O-])c1ccccc1O[C@@H]1CCOC(C)(C)C1 ZINC001229736440 932476780 /nfs/dbraw/zinc/47/67/80/932476780.db2.gz CHLUBUUVEVJOKR-PILJQMSFSA-N -1 3 263.337 3.221 20 30 CGEDHM Cc1ccc(N(C)C)cc1-c1ccc([O-])c(C#N)c1 ZINC001242566143 932703174 /nfs/dbraw/zinc/70/31/74/932703174.db2.gz KLXQLIYDAHMLNY-UHFFFAOYSA-N -1 3 252.317 3.305 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN1c1ccccc1 ZINC001306897090 932893182 /nfs/dbraw/zinc/89/31/82/932893182.db2.gz YPQOUDIFWWUUBZ-INIZCTEOSA-N -1 3 290.407 3.454 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ccc(SC)o1 ZINC001306897089 932893622 /nfs/dbraw/zinc/89/36/22/932893622.db2.gz YPOINUMKQATAPA-UHFFFAOYSA-N -1 3 257.355 3.413 20 30 CGEDHM C=CC1(CC(=O)[N-]OCC2CCC2)CCCCC1 ZINC001470294432 937751140 /nfs/dbraw/zinc/75/11/40/937751140.db2.gz XCVLJWWUXVSWLF-UHFFFAOYSA-N -1 3 251.370 3.361 20 30 CGEDHM CC(C)N(CCC#N)C(=O)c1cc2sccc2c([O-])c1 ZINC001544480554 938145308 /nfs/dbraw/zinc/14/53/08/938145308.db2.gz LJPKHFDQSFNKSZ-UHFFFAOYSA-N -1 3 288.372 3.371 20 30 CGEDHM O=C(c1cccnc1Cl)N([O-])Cc1ccccc1Cl ZINC001559033388 938218972 /nfs/dbraw/zinc/21/89/72/938218972.db2.gz GUYQKAKQBQQRKZ-UHFFFAOYSA-N -1 3 297.141 3.420 20 30 CGEDHM CCCCCCN([O-])C(=O)COc1ccc(F)cc1 ZINC001559034856 938219166 /nfs/dbraw/zinc/21/91/66/938219166.db2.gz RWNQQCPPVDZETB-UHFFFAOYSA-N -1 3 269.316 3.003 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001559035151 938219243 /nfs/dbraw/zinc/21/92/43/938219243.db2.gz DYJKQNIAWZYTHQ-ZDUSSCGKSA-N -1 3 269.385 3.276 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](CC)Oc1ccccc1F ZINC001559035291 938219273 /nfs/dbraw/zinc/21/92/73/938219273.db2.gz KQUGTHVEPWZTHC-LBPRGKRZSA-N -1 3 269.316 3.001 20 30 CGEDHM C=C[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001560795164 938276275 /nfs/dbraw/zinc/27/62/75/938276275.db2.gz NSESDYVMDRYNAH-LLVKDONJSA-N -1 3 253.292 3.211 20 30 CGEDHM Cc1cc(C#N)cc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001560884888 938281721 /nfs/dbraw/zinc/28/17/21/938281721.db2.gz KIXGSYHZUXUTSO-UHFFFAOYSA-N -1 3 274.270 3.463 20 30 CGEDHM N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(C(=O)[O-])c1 ZINC001594626724 956319403 /nfs/dbraw/zinc/31/94/03/956319403.db2.gz GAPCMVLBBACSOA-QGZVFWFLSA-N -1 3 292.338 3.034 20 30 CGEDHM C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC000235519889 960451357 /nfs/dbraw/zinc/45/13/57/960451357.db2.gz MECIWXIWENSUIA-JTQLQIEISA-N -1 3 286.356 3.169 20 30 CGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001570279374 961940732 /nfs/dbraw/zinc/94/07/32/961940732.db2.gz LUKBDUPDILGNKY-AWEZNQCLSA-N -1 3 297.354 3.015 20 30 CGEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccccc1[O-] ZINC001570419919 961957693 /nfs/dbraw/zinc/95/76/93/961957693.db2.gz PFUXDLQOTVIMCI-MRXNPFEDSA-N -1 3 292.338 3.071 20 30 CGEDHM N#Cc1ccc(CSc2ccccc2-c2nnn[n-]2)s1 ZINC001581872113 962753744 /nfs/dbraw/zinc/75/37/44/962753744.db2.gz KYYVHRXYNIAHHH-UHFFFAOYSA-N -1 3 299.384 3.092 20 30 CGEDHM N#Cc1ccc(CSc2ccccc2-c2nn[n-]n2)s1 ZINC001581872113 962753757 /nfs/dbraw/zinc/75/37/57/962753757.db2.gz KYYVHRXYNIAHHH-UHFFFAOYSA-N -1 3 299.384 3.092 20 30 CGEDHM C=C(C)CCSCc1ccc(-c2nnn[n-]2)cc1C ZINC001588425207 963267299 /nfs/dbraw/zinc/26/72/99/963267299.db2.gz XVGCUUKWPTVVNY-UHFFFAOYSA-N -1 3 274.393 3.375 20 30 CGEDHM C=C(C)CCSCc1ccc(-c2nn[n-]n2)cc1C ZINC001588425207 963267313 /nfs/dbraw/zinc/26/73/13/963267313.db2.gz XVGCUUKWPTVVNY-UHFFFAOYSA-N -1 3 274.393 3.375 20 30 CGEDHM C=C(C)CCC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588419761 963272532 /nfs/dbraw/zinc/27/25/32/963272532.db2.gz SOZATXQLZPPADJ-UHFFFAOYSA-N -1 3 297.362 3.039 20 30 CGEDHM C=C(C)CCC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588419761 963272546 /nfs/dbraw/zinc/27/25/46/963272546.db2.gz SOZATXQLZPPADJ-UHFFFAOYSA-N -1 3 297.362 3.039 20 30 CGEDHM C=CC[C@H]1CC[C@H](Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588559093 963282459 /nfs/dbraw/zinc/28/24/59/963282459.db2.gz HDINXRYUBBDXEP-RYUDHWBXSA-N -1 3 299.378 3.032 20 30 CGEDHM C=CC[C@H]1CC[C@H](Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588559093 963282467 /nfs/dbraw/zinc/28/24/67/963282467.db2.gz HDINXRYUBBDXEP-RYUDHWBXSA-N -1 3 299.378 3.032 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588558749 963284099 /nfs/dbraw/zinc/28/40/99/963284099.db2.gz CILRBGJLVIIHDD-OCCSQVGLSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588558749 963284107 /nfs/dbraw/zinc/28/41/07/963284107.db2.gz CILRBGJLVIIHDD-OCCSQVGLSA-N -1 3 298.394 3.117 20 30 CGEDHM C=C[C@H](C(=O)[O-])N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001588664925 963300418 /nfs/dbraw/zinc/30/04/18/963300418.db2.gz ZRYCCQLXQITWNW-OAHLLOKOSA-N -1 3 293.313 3.083 20 30 CGEDHM C=C[C@H](N[C@H](c1ccccc1)c1ccc(OC)cc1)C(=O)[O-] ZINC001588696837 963306995 /nfs/dbraw/zinc/30/69/95/963306995.db2.gz RRHZNUXLKOYIIK-DLBZAZTESA-N -1 3 297.354 3.013 20 30 CGEDHM C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001588786648 963315864 /nfs/dbraw/zinc/31/58/64/963315864.db2.gz QSWZCNPPFDCSID-NWDGAFQWSA-N -1 3 277.364 3.486 20 30 CGEDHM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001588828601 963322630 /nfs/dbraw/zinc/32/26/30/963322630.db2.gz DCDQBNYHEJWMEJ-UHFFFAOYSA-N -1 3 298.386 3.252 20 30 CGEDHM C=C(CC)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622095137 349628524 /nfs/dbraw/zinc/62/85/24/349628524.db2.gz CBKXXTRQODTKDW-UHFFFAOYSA-N -1 3 273.254 3.107 20 30 CGEDHM Cc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000045417945 345025501 /nfs/dbraw/zinc/02/55/01/345025501.db2.gz OPELQEHPLIVFTK-GFCCVEGCSA-N -1 3 280.327 3.063 20 30 CGEDHM CCN(CCC#N)Cc1c([O-])ccc2ccccc21 ZINC000064111170 345257399 /nfs/dbraw/zinc/25/73/99/345257399.db2.gz MKEANFRNIHRHCF-UHFFFAOYSA-N -1 3 254.333 3.281 20 30 CGEDHM CC(C)[C@@H](C)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000067910068 345337621 /nfs/dbraw/zinc/33/76/21/345337621.db2.gz MRUWHYKBLBQDIA-LURJTMIESA-N -1 3 264.251 3.094 20 30 CGEDHM CC(C)[C@@H](C)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000067910068 345337622 /nfs/dbraw/zinc/33/76/22/345337622.db2.gz MRUWHYKBLBQDIA-LURJTMIESA-N -1 3 264.251 3.094 20 30 CGEDHM Cc1ccccc1-c1cc(=NC(=O)CCCCCC#N)[nH][n-]1 ZINC000588334851 346760508 /nfs/dbraw/zinc/76/05/08/346760508.db2.gz HSBKASULVCLPPV-UHFFFAOYSA-N -1 3 296.374 3.220 20 30 CGEDHM N#CCCCCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000597732382 347590555 /nfs/dbraw/zinc/59/05/55/347590555.db2.gz POAWNRCFRNCSKZ-UHFFFAOYSA-N -1 3 297.358 3.031 20 30 CGEDHM CC[C@@H](C)c1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000600657333 347827130 /nfs/dbraw/zinc/82/71/30/347827130.db2.gz PORSRGBIRUDLFF-BXUZGUMPSA-N -1 3 280.393 3.244 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000614133695 348651900 /nfs/dbraw/zinc/65/19/00/348651900.db2.gz OSZXIJLTNZGMPD-LLVKDONJSA-N -1 3 277.389 3.295 20 30 CGEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000617043702 348906903 /nfs/dbraw/zinc/90/69/03/348906903.db2.gz DDJPJSXFMBDMCV-DZGCQCFKSA-N -1 3 291.366 3.325 20 30 CGEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000617779065 349008507 /nfs/dbraw/zinc/00/85/07/349008507.db2.gz ULEHXNHRBJCILP-CYBMUJFWSA-N -1 3 287.359 3.023 20 30 CGEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271357193 191093233 /nfs/dbraw/zinc/09/32/33/191093233.db2.gz XWSDLMVMSNFUAM-UHFFFAOYSA-N -1 3 287.281 3.200 20 30 CGEDHM N#Cc1c([N-]C(=O)c2cscn2)sc2c1CCCC2 ZINC000062660022 283082923 /nfs/dbraw/zinc/08/29/23/283082923.db2.gz BDOCARHMWUAJNX-UHFFFAOYSA-N -1 3 289.385 3.207 20 30 CGEDHM N#Cc1ccc(Sc2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000131059780 138403338 /nfs/dbraw/zinc/40/33/38/138403338.db2.gz PAJZABFSUFPPTM-UHFFFAOYSA-N -1 3 272.285 3.323 20 30 CGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccs1 ZINC000001238806 368405311 /nfs/dbraw/zinc/40/53/11/368405311.db2.gz YVCQRHRZUFNSTF-JTQLQIEISA-N -1 3 281.340 3.125 20 30 CGEDHM Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)c([O-])c1 ZINC000118227194 370608239 /nfs/dbraw/zinc/60/82/39/370608239.db2.gz MQPOAMVPWVGZBR-UHFFFAOYSA-N -1 3 274.364 3.103 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@](C)(CC)c1nccs1 ZINC000293044916 372287939 /nfs/dbraw/zinc/28/79/39/372287939.db2.gz AFSMZBNZGHXIMA-LLVKDONJSA-N -1 3 274.336 3.096 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccccc3C)nc1-2 ZINC000429597740 372375257 /nfs/dbraw/zinc/37/52/57/372375257.db2.gz NWYLGEOXZJRFLJ-CYBMUJFWSA-N -1 3 290.326 3.065 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000293467483 372389759 /nfs/dbraw/zinc/38/97/59/372389759.db2.gz LVLNHJGDOZUILR-LBPRGKRZSA-N -1 3 299.292 3.367 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436820320 372841002 /nfs/dbraw/zinc/84/10/02/372841002.db2.gz GUGIZSAZEITCHR-CQSZACIVSA-N -1 3 285.387 3.452 20 30 CGEDHM CCS[C@@H]1CCCC[C@@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000175900416 373537078 /nfs/dbraw/zinc/53/70/78/373537078.db2.gz SKDPFVIGQMTIFD-OYCSBAEMSA-N -1 3 295.404 3.287 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCCOCC1 ZINC000182699414 374317192 /nfs/dbraw/zinc/31/71/92/374317192.db2.gz 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/nfs/dbraw/zinc/64/48/12/380644812.db2.gz SSDBNYUVBGIXIH-ZDUSSCGKSA-N -1 3 292.354 3.066 20 30 CGEDHM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000361195436 381658956 /nfs/dbraw/zinc/65/89/56/381658956.db2.gz IJMHYPDKPYZVET-AAEUAGOBSA-N -1 3 282.347 3.048 20 30 CGEDHM CC(C)(C#N)CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419476411 393390653 /nfs/dbraw/zinc/39/06/53/393390653.db2.gz OJWCBIQTPCODPA-UHFFFAOYSA-N -1 3 277.393 3.233 20 30 CGEDHM CC(C)(C)c1nnc([N-]C(=O)c2cscc2C#N)s1 ZINC000432674611 393626693 /nfs/dbraw/zinc/62/66/93/393626693.db2.gz CIOXMDQXJRUHJG-UHFFFAOYSA-N -1 3 292.389 3.021 20 30 CGEDHM N#Cc1ccc(/C=C/C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000492644855 393766270 /nfs/dbraw/zinc/76/62/70/393766270.db2.gz JATFEWIPDYTLHE-VMPITWQZSA-N -1 3 282.274 3.055 20 30 CGEDHM [O-]c1ccccc1C=NNc1cc(F)c(F)cc1F ZINC000734302027 572641469 /nfs/dbraw/zinc/64/14/69/572641469.db2.gz WBGOWVJKUFUWRO-UHFFFAOYSA-N -1 3 266.222 3.256 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000671745211 543185046 /nfs/dbraw/zinc/18/50/46/543185046.db2.gz BXLHWWLQAFEHQM-NSHDSACASA-N -1 3 281.340 3.423 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cs1 ZINC000671745405 543185215 /nfs/dbraw/zinc/18/52/15/543185215.db2.gz VBVRWCMXLWSXGE-GFCCVEGCSA-N -1 3 295.367 3.433 20 30 CGEDHM C=CCCCCCN(C)Cc1ccoc1C(=O)[O-] ZINC000736097308 572769201 /nfs/dbraw/zinc/76/92/01/572769201.db2.gz FSCXQPZYQFLMDS-UHFFFAOYSA-N -1 3 251.326 3.156 20 30 CGEDHM N#CC(=C([O-])c1cc(Cl)cc(Cl)c1)c1ccncn1 ZINC000354480583 227011143 /nfs/dbraw/zinc/01/11/43/227011143.db2.gz XOKKCOZWQOOBSK-LLVKDONJSA-N -1 3 292.125 3.273 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])c(F)c1 ZINC000659802621 418995211 /nfs/dbraw/zinc/99/52/11/418995211.db2.gz ZXURJCSGQHUCLE-BETUJISGSA-N -1 3 275.323 3.207 20 30 CGEDHM C[C@H](C(=O)Nc1ccccc1[O-])c1cccc(C#N)c1 ZINC000336032725 228179818 /nfs/dbraw/zinc/17/98/18/228179818.db2.gz KEOOCGRSBUXXPM-NSHDSACASA-N -1 3 266.300 3.006 20 30 CGEDHM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1ccccn1 ZINC000336041875 228181926 /nfs/dbraw/zinc/18/19/26/228181926.db2.gz FTPVSKVVECFZBI-GFCCVEGCSA-N -1 3 274.682 3.364 20 30 CGEDHM CC(C)C[C@@H]1C[C@H](/N=C/c2ccccc2[O-])CCO1 ZINC000271955697 263000611 /nfs/dbraw/zinc/00/06/11/263000611.db2.gz SFBUEDJAXCOKEK-DSWHRGLISA-N -1 3 261.365 3.405 20 30 CGEDHM CCc1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1[O-] ZINC000291577132 263123901 /nfs/dbraw/zinc/12/39/01/263123901.db2.gz UJPWRKBAIBCLKB-UHFFFAOYSA-N -1 3 288.391 3.357 20 30 CGEDHM CC(C)(C)CN(CCC#N)Cc1c(F)ccc([O-])c1F ZINC000295422864 263177128 /nfs/dbraw/zinc/17/71/28/263177128.db2.gz SKJRCTBSZCECAG-UHFFFAOYSA-N -1 3 282.334 3.432 20 30 CGEDHM CCOc1cc(CN(C)[C@H](C)CC#N)cc(Cl)c1[O-] ZINC000297582396 263206536 /nfs/dbraw/zinc/20/65/36/263206536.db2.gz DPQIQVHCMRSEBR-SNVBAGLBSA-N -1 3 282.771 3.178 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCCCO1 ZINC000299202592 263235173 /nfs/dbraw/zinc/23/51/73/263235173.db2.gz ARRRMNWPNNUKJL-AAWHYMEISA-N -1 3 298.180 3.143 20 30 CGEDHM CCc1ccc(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000331227269 264150716 /nfs/dbraw/zinc/15/07/16/264150716.db2.gz DQJGHERZRUSXNX-GXTWGEPZSA-N -1 3 291.391 3.464 20 30 CGEDHM CCc1ccc(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000331236677 264175313 /nfs/dbraw/zinc/17/53/13/264175313.db2.gz MJFDTVGCXMMFFO-CZUORRHYSA-N -1 3 291.391 3.463 20 30 CGEDHM CC(=O)c1ccc(C(=O)N[C@H]2CCCC2(C)C)cc1[O-] ZINC000331250419 264181253 /nfs/dbraw/zinc/18/12/53/264181253.db2.gz YYLIAELATAQKDO-AWEZNQCLSA-N -1 3 275.348 3.478 20 30 CGEDHM CC(=O)c1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)cc1[O-] ZINC000331327490 264191281 /nfs/dbraw/zinc/19/12/81/264191281.db2.gz GPKZNUDYTVQQKB-JTQLQIEISA-N -1 3 297.301 3.335 20 30 CGEDHM Cc1c(C#N)cccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000338173182 280201183 /nfs/dbraw/zinc/20/11/83/280201183.db2.gz ANECDKNYMPGMSU-UHFFFAOYSA-N -1 3 292.338 3.165 20 30 CGEDHM CCN(Cc1ncccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000565507037 322080174 /nfs/dbraw/zinc/08/01/74/322080174.db2.gz CMVYNEYBPJACSD-ZDUSSCGKSA-N -1 3 281.359 3.242 20 30 CGEDHM CC1(C/N=C/c2c([O-])ccc3ccccc32)COC1 ZINC000112561692 327286824 /nfs/dbraw/zinc/28/68/24/327286824.db2.gz ZJTPQEHWOCYJDO-CAOOACKPSA-N -1 3 255.317 3.001 20 30 CGEDHM C=CCN(CCCCCC(=O)[O-])Cc1cccs1 ZINC000582791394 329207104 /nfs/dbraw/zinc/20/71/04/329207104.db2.gz ULMQHOFRDGKAFN-UHFFFAOYSA-N -1 3 267.394 3.381 20 30 CGEDHM C=C(CC)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419446147 329729679 /nfs/dbraw/zinc/72/96/79/329729679.db2.gz SPODTSCJTNPYDQ-UHFFFAOYSA-N -1 3 250.367 3.259 20 30 CGEDHM C=CCCc1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000453231987 331104536 /nfs/dbraw/zinc/10/45/36/331104536.db2.gz IWHRIFGVZJSHIY-UHFFFAOYSA-N -1 3 276.311 3.208 20 30 CGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000465483930 331384430 /nfs/dbraw/zinc/38/44/30/331384430.db2.gz QDRRGZIFEGBXNB-MRVPVSSYSA-N -1 3 294.203 3.155 20 30 CGEDHM COC(=O)Nc1cccc(CN=Cc2ccccc2[O-])c1 ZINC000495675140 332526676 /nfs/dbraw/zinc/52/66/76/332526676.db2.gz AGYNEXCMRYJZCT-GZTJUZNOSA-N -1 3 284.315 3.190 20 30 CGEDHM C=C[C@H](CC(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000552986227 334354605 /nfs/dbraw/zinc/35/46/05/334354605.db2.gz RRRGRQBNTVJSRN-CQSZACIVSA-N -1 3 291.354 3.055 20 30 CGEDHM C=C(C)[C@@H](CC(=O)Nc1c([O-])cccc1Cl)OCC ZINC000564471475 334509273 /nfs/dbraw/zinc/50/92/73/334509273.db2.gz SXVZELRJVKRZPJ-GFCCVEGCSA-N -1 3 283.755 3.355 20 30 CGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1CCC(C)C ZINC000567361313 334708524 /nfs/dbraw/zinc/70/85/24/334708524.db2.gz XHUXYYNLCCXIRZ-AWEZNQCLSA-N -1 3 294.420 3.319 20 30 CGEDHM COC[C@H](/N=C\c1c([O-])cccc1OC)c1ccccc1 ZINC000727062186 571710723 /nfs/dbraw/zinc/71/07/23/571710723.db2.gz VCQLDAUJVGNQAH-GZQZNAIASA-N -1 3 285.343 3.207 20 30 CGEDHM CCC[C@H](/N=C/c1ccc(O)c([O-])c1O)c1ccccn1 ZINC000729149559 571879142 /nfs/dbraw/zinc/87/91/42/571879142.db2.gz LOLCYIRRUBLEFO-NNLQFVHNSA-N -1 3 286.331 3.159 20 30 CGEDHM CCOc1ccc(/C=N/Cc2ccc(C#N)cc2F)c([O-])c1 ZINC000729820262 571933794 /nfs/dbraw/zinc/93/37/94/571933794.db2.gz ZLGIWALYMKUVSA-RGVLZGJSSA-N -1 3 298.317 3.421 20 30 CGEDHM COc1ccc(CCNN=C(C)c2ccc(C)cc2[O-])cc1 ZINC000737439979 572343601 /nfs/dbraw/zinc/34/36/01/572343601.db2.gz QTSRXOLJCWHPHL-UHFFFAOYSA-N -1 3 298.386 3.266 20 30 CGEDHM Cc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738758985 572391304 /nfs/dbraw/zinc/39/13/04/572391304.db2.gz TZSJTEDYQGRVLS-DYVFJYSZSA-N -1 3 294.354 3.343 20 30 CGEDHM C[C@H]1CC(/N=C\c2ccc(O)c([O-])c2O)C[C@H](C)C1 ZINC000739426509 572405801 /nfs/dbraw/zinc/40/58/01/572405801.db2.gz MTWNFGHKCIFTFF-YKDPKYFUSA-N -1 3 263.337 3.047 20 30 CGEDHM CCn1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cn1 ZINC000732529892 572470832 /nfs/dbraw/zinc/47/08/32/572470832.db2.gz BLONHRDTDRWYEO-NJQKBMNKSA-N -1 3 286.306 3.131 20 30 CGEDHM O=C1CCCN1c1ccc(N=Cc2ccccc2[O-])cc1F ZINC000732623050 572474689 /nfs/dbraw/zinc/47/46/89/572474689.db2.gz WQJKIYGNBDFFFP-UHFFFAOYSA-N -1 3 298.317 3.409 20 30 CGEDHM CCOc1ccc(/C=N\C[C@H](O)c2ccccc2C)c([O-])c1 ZINC000732714031 572478997 /nfs/dbraw/zinc/47/89/97/572478997.db2.gz QDEVPLWZUHJFOE-FUDBJYBQSA-N -1 3 299.370 3.252 20 30 CGEDHM N#Cc1ccccc1SCc1ccccc1-c1nnn[n-]1 ZINC000737727435 572484022 /nfs/dbraw/zinc/48/40/22/572484022.db2.gz MIGXMGPTMPSKEO-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1ccccc1SCc1ccccc1-c1nn[n-]n1 ZINC000737727435 572484028 /nfs/dbraw/zinc/48/40/28/572484028.db2.gz MIGXMGPTMPSKEO-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM Cc1cccc([C@H](C)C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000741166325 572486825 /nfs/dbraw/zinc/48/68/25/572486825.db2.gz ZWGRWHWUQAEMGE-BUESGFEBSA-N -1 3 298.386 3.119 20 30 CGEDHM Cc1nc(Cl)cc(N=NC(C)c2ccc([O-])c(F)c2)n1 ZINC000741766231 572525284 /nfs/dbraw/zinc/52/52/84/572525284.db2.gz PWUFVHVRMLPCIQ-UHFFFAOYSA-N -1 3 294.717 3.119 20 30 CGEDHM CC(=NNc1cnnc2ccccc21)c1ccc([O-])c(F)c1 ZINC000733748032 572600995 /nfs/dbraw/zinc/60/09/95/572600995.db2.gz CEAGBSIIIXFJNR-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@H](C)c1cccc(C#N)c1 ZINC000743501362 572666728 /nfs/dbraw/zinc/66/67/28/572666728.db2.gz JPTIINARVHCGDM-ZGXHQARYSA-N -1 3 280.327 3.453 20 30 CGEDHM Cc1ccc(C#N)cc1N=Cc1cccc([O-])c1O ZINC000746340760 572867172 /nfs/dbraw/zinc/86/71/72/572867172.db2.gz QOSSWGAMPADJFU-UHFFFAOYSA-N -1 3 252.273 3.029 20 30 CGEDHM COC(=O)c1cc(N=Cc2c([O-])cccc2OC)ccc1C ZINC000746815452 572896829 /nfs/dbraw/zinc/89/68/29/572896829.db2.gz JOWRUVLPKHEETP-UHFFFAOYSA-N -1 3 299.326 3.246 20 30 CGEDHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000050920533 600488027 /nfs/dbraw/zinc/48/80/27/600488027.db2.gz YZEOIYJCBNZZOG-LBPRGKRZSA-N -1 3 280.327 3.107 20 30 CGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000827718097 601304003 /nfs/dbraw/zinc/30/40/03/601304003.db2.gz OOXVPDFUQCIIKS-MLGOLLRUSA-N -1 3 280.327 3.035 20 30 CGEDHM Cc1ccsc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901378809 620869177 /nfs/dbraw/zinc/86/91/77/620869177.db2.gz LNDMHXVEVTZRII-UHFFFAOYSA-N -1 3 265.309 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290.407 3.223 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cn(C3CC3)cn2)ccc1[O-] ZINC000865217595 630027644 /nfs/dbraw/zinc/02/76/44/630027644.db2.gz LEACLTMRNWFOQR-XVNBXDOJSA-N -1 3 268.316 3.128 20 30 CGEDHM COCC1(C/N=C/c2cc(Cl)ccc2[O-])CCC1 ZINC000800720189 630295428 /nfs/dbraw/zinc/29/54/28/630295428.db2.gz AFHRQZOADWTEAX-LZYBPNLTSA-N -1 3 267.756 3.281 20 30 CGEDHM C#Cc1ccccc1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000810190472 630851726 /nfs/dbraw/zinc/85/17/26/630851726.db2.gz QBPWOWFPVRYGQF-UHFFFAOYSA-N -1 3 285.730 3.208 20 30 CGEDHM C#CCC1(OC(=O)c2cc3ccsc3[n-]2)CCC1 ZINC000810747647 630939054 /nfs/dbraw/zinc/93/90/54/630939054.db2.gz VXYIUPCCQXLYPS-UHFFFAOYSA-N -1 3 259.330 3.332 20 30 CGEDHM C=CC[C@H](OC(=O)c1c[n-]c(C(=O)OC)c1)c1ccccc1 ZINC000816030183 631862751 /nfs/dbraw/zinc/86/27/51/631862751.db2.gz GQAAGWLDWQCVDI-HNNXBMFYSA-N -1 3 299.326 3.276 20 30 CGEDHM CCN(Cc1cc(Cl)c(F)cc1[O-])C[C@H](C)C#N ZINC000816493192 631991839 /nfs/dbraw/zinc/99/18/39/631991839.db2.gz SBURQEZSGVRDAT-SECBINFHSA-N -1 3 270.735 3.166 20 30 CGEDHM C[C@@H](NCC1(C#N)CCCCC1)c1cccc(C#N)c1[O-] ZINC000866394980 633120979 /nfs/dbraw/zinc/12/09/79/633120979.db2.gz YZCGNSZCHCKBPK-CYBMUJFWSA-N -1 3 283.375 3.389 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1ccccc1C(F)(F)F ZINC000869152923 633409552 /nfs/dbraw/zinc/40/95/52/633409552.db2.gz LAYANVYSTRMWPE-UHFFFAOYSA-N -1 3 287.281 3.262 20 30 CGEDHM N#CC1(COC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000837661843 634961239 /nfs/dbraw/zinc/96/12/39/634961239.db2.gz QTEZMAOQSRVHCW-UHFFFAOYSA-N -1 3 291.322 3.091 20 30 CGEDHM C[C@@H]1C[C@H](C/N=C/c2cc(Cl)ccc2[O-])[C@@H](C)O1 ZINC000840713712 635040801 /nfs/dbraw/zinc/04/08/01/635040801.db2.gz USANARXKGWUGQJ-FDXLMJESSA-N -1 3 267.756 3.278 20 30 CGEDHM N#CC1(CO[N-]C(=O)CCC2CCCCC2)CCC1 ZINC000842027931 635258883 /nfs/dbraw/zinc/25/88/83/635258883.db2.gz HAXSKJRJCSGTOA-UHFFFAOYSA-N -1 3 264.369 3.089 20 30 CGEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000121540892 635660193 /nfs/dbraw/zinc/66/01/93/635660193.db2.gz 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MQPOGVRZNWUKSZ-UHFFFAOYSA-N -1 3 295.383 3.276 20 30 CGEDHM CC(=O)c1cccc(Nc2c([O-])cccc2C#N)c1 ZINC001173900233 808751590 /nfs/dbraw/zinc/75/15/90/808751590.db2.gz GKBFDCCZFMWSHX-UHFFFAOYSA-N -1 3 252.273 3.210 20 30 CGEDHM N#Cc1cccc(C#N)c1Nc1ccc([O-])c(F)c1 ZINC001174735453 809146258 /nfs/dbraw/zinc/14/62/58/809146258.db2.gz SOEIVPXGSGFCIB-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM COc1cccc(C(F)(F)F)c1[N-]c1oncc1C#N ZINC001213341383 815267172 /nfs/dbraw/zinc/26/71/72/815267172.db2.gz UBDJUGZQBJXIBA-UHFFFAOYSA-N -1 3 283.209 3.317 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(F)c(F)c2F)c1 ZINC001174968578 809221575 /nfs/dbraw/zinc/22/15/75/809221575.db2.gz MKGOKZPMGJUDMB-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc3c(c2)CCC3=O)c1 ZINC001176235818 809653416 /nfs/dbraw/zinc/65/34/16/809653416.db2.gz WWIKLJOCAWFDJC-UHFFFAOYSA-N -1 3 264.284 3.136 20 30 CGEDHM Cc1cnc(Nc2cc([O-])cc(Cl)c2)c(C#N)c1 ZINC001176624105 809733436 /nfs/dbraw/zinc/73/34/36/809733436.db2.gz UNBOGDCKRHQCBL-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM N#CCc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC001179028367 809900671 /nfs/dbraw/zinc/90/06/71/809900671.db2.gz PUBGDVOTUFJAMV-UHFFFAOYSA-N -1 3 286.762 3.401 20 30 CGEDHM CCCCCCC[C@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001181133123 810039621 /nfs/dbraw/zinc/03/96/21/810039621.db2.gz NVOREZHYRWAUFH-LBPRGKRZSA-N -1 3 295.427 3.079 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC001184305391 810189814 /nfs/dbraw/zinc/18/98/14/810189814.db2.gz ICTXSERPHLIPKN-UHFFFAOYSA-N -1 3 296.323 3.015 20 30 CGEDHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001184511150 810205682 /nfs/dbraw/zinc/20/56/82/810205682.db2.gz OKDMHRRQNDNRLR-MNOVXSKESA-N -1 3 258.321 3.029 20 30 CGEDHM Cc1cc(C#N)c(F)cc1NC(=O)c1ccc([O-])cc1C ZINC001186192441 810320655 /nfs/dbraw/zinc/32/06/55/810320655.db2.gz UFPWSPBVFFEANW-UHFFFAOYSA-N -1 3 284.290 3.272 20 30 CGEDHM CCCCCCCNC(=O)Nc1ccc([O-])cc1C#N ZINC001191106722 810676118 /nfs/dbraw/zinc/67/61/18/810676118.db2.gz MUXCMGNAKXDAJN-UHFFFAOYSA-N -1 3 275.352 3.356 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cc(C)ccc2Cl)o1 ZINC001191676201 810730712 /nfs/dbraw/zinc/73/07/12/810730712.db2.gz ICTZTNKVNYVXJP-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192336181 810787931 /nfs/dbraw/zinc/78/79/31/810787931.db2.gz SQUXMIBBUWWTHX-ZDUSSCGKSA-N -1 3 288.391 3.358 20 30 CGEDHM C=CCCOc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001195113498 811205713 /nfs/dbraw/zinc/20/57/13/811205713.db2.gz ARJWWPUGHYWJSM-UHFFFAOYSA-N -1 3 298.342 3.303 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1cccc(/C=N/[O-])c1 ZINC001226115396 817276382 /nfs/dbraw/zinc/27/63/82/817276382.db2.gz CNHRDYNPWQOSLW-RSYJBZMQSA-N -1 3 253.367 3.361 20 30 CGEDHM N#Cc1cc(NC(=S)Nc2ccccc2F)ccc1[O-] ZINC001195777047 811290520 /nfs/dbraw/zinc/29/05/20/811290520.db2.gz VHGZGCLRLVXBTE-UHFFFAOYSA-N -1 3 287.319 3.212 20 30 CGEDHM COc1ccc(Nc2c([O-])cccc2F)cc1C#N ZINC001215001149 815474782 /nfs/dbraw/zinc/47/47/82/815474782.db2.gz UCQWAXPLLVXXIH-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1cc(N)c(Nc2cncc([O-])c2)cc1C(F)(F)F ZINC001201647508 811931703 /nfs/dbraw/zinc/93/17/03/811931703.db2.gz DBPKWHPYRCJINR-UHFFFAOYSA-N -1 3 294.236 3.003 20 30 CGEDHM CCc1ccc(NC(=O)Nc2cccc(C#N)c2)c([O-])c1 ZINC001202787006 812174174 /nfs/dbraw/zinc/17/41/74/812174174.db2.gz DXAFDJUZXQQFKL-UHFFFAOYSA-N -1 3 281.315 3.470 20 30 CGEDHM N#Cc1nc(Cl)c([N-]c2coc3ccccc23)nc1C#N ZINC001203146528 812253471 /nfs/dbraw/zinc/25/34/71/812253471.db2.gz NOXGXXTYAUEICO-UHFFFAOYSA-N -1 3 295.689 3.363 20 30 CGEDHM CNc1ccc(C#N)cc1Nc1c(F)ccc(C)c1[O-] ZINC001215741346 815571261 /nfs/dbraw/zinc/57/12/61/815571261.db2.gz KKCZASSKJPQWLA-UHFFFAOYSA-N -1 3 271.295 3.497 20 30 CGEDHM N#Cc1nc(-c2ccc([O-])cc2F)ccc1C(F)(F)F ZINC001206029569 813171461 /nfs/dbraw/zinc/17/14/61/813171461.db2.gz CXOWPOJOMDHMCV-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM N#Cc1nc2ccc(Nc3ccc([O-])c(C#N)c3)cc2s1 ZINC001210532500 814512417 /nfs/dbraw/zinc/51/24/17/814512417.db2.gz JMODNBBXTJOIQG-UHFFFAOYSA-N -1 3 292.323 3.489 20 30 CGEDHM Cc1cc(F)cc(Nc2cc(C#N)cc([N+](=O)[O-])c2)c1[O-] ZINC001211333431 814880205 /nfs/dbraw/zinc/88/02/05/814880205.db2.gz UXGUDOZOKAPYQI-UHFFFAOYSA-N -1 3 287.250 3.363 20 30 CGEDHM COCc1cc(OC)ccc1Nc1cc(C#N)ccc1[O-] ZINC001215979578 815650049 /nfs/dbraw/zinc/65/00/49/815650049.db2.gz WILHGBFSVMNOLL-UHFFFAOYSA-N -1 3 284.315 3.162 20 30 CGEDHM N#Cc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1F ZINC001216414030 815819272 /nfs/dbraw/zinc/81/92/72/815819272.db2.gz CGIUFOPRTSMCBJ-UHFFFAOYSA-N -1 3 294.289 3.332 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(O)cc2Cl)c1 ZINC001216429429 815826256 /nfs/dbraw/zinc/82/62/56/815826256.db2.gz RTJMTYHVODCCQC-UHFFFAOYSA-N -1 3 260.680 3.366 20 30 CGEDHM [O-]c1ccccc1/N=C/c1ccccc1OC[C@H]1C[C@@H](O)C1 ZINC001218433893 816211107 /nfs/dbraw/zinc/21/11/07/816211107.db2.gz NAHAGCDFGCRBQY-QFUUSNRVSA-N -1 3 297.354 3.293 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cnn4ccccc34)ccc21 ZINC001242965353 823192426 /nfs/dbraw/zinc/19/24/26/823192426.db2.gz MODFMJMUBLGFLN-SDXDJHTJSA-N -1 3 263.300 3.126 20 30 CGEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664073 817131013 /nfs/dbraw/zinc/13/10/13/817131013.db2.gz ITMAVNGWQCAXEA-GVXVVHGQSA-N -1 3 292.335 3.455 20 30 CGEDHM C=CC[C@H](Oc1[n-]c(=O)nnc1C)c1ccc(Cl)cc1 ZINC001226464186 817365613 /nfs/dbraw/zinc/36/56/13/817365613.db2.gz NFJSZXYOONFFHK-LBPRGKRZSA-N -1 3 291.738 3.235 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@@H](C)CC(C)(C)S)c1O ZINC001226484342 817373288 /nfs/dbraw/zinc/37/32/88/817373288.db2.gz CMOXWPXRKVNWOE-QMMMGPOBSA-N -1 3 284.377 3.166 20 30 CGEDHM CCC[C@H](C#Cc1ccccc1)Oc1cc(=O)[n-]c(C)n1 ZINC001226510518 817380722 /nfs/dbraw/zinc/38/07/22/817380722.db2.gz CARXNPAKFWJUIR-OAHLLOKOSA-N -1 3 282.343 3.090 20 30 CGEDHM C=CCOc1ccccc1[C@@H](C)Oc1cc(=O)[n-]c(C)n1 ZINC001226512594 817381876 /nfs/dbraw/zinc/38/18/76/817381876.db2.gz RYAMTYHMSALRLI-LLVKDONJSA-N -1 3 286.331 3.195 20 30 CGEDHM C[C@H](CC(C)(C)S)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600152 817409657 /nfs/dbraw/zinc/40/96/57/817409657.db2.gz UQZKCHPCTLWTCO-SECBINFHSA-N -1 3 294.372 3.364 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@H]2CCc3ccccc32)c1 ZINC001227345106 817628525 /nfs/dbraw/zinc/62/85/25/817628525.db2.gz JTPVSSHLWQPJAQ-HNNXBMFYSA-N -1 3 251.285 3.330 20 30 CGEDHM C=CC[C@@H](Oc1nc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC001227820372 817726332 /nfs/dbraw/zinc/72/63/32/817726332.db2.gz SPLVWCFYTQKVSB-OAHLLOKOSA-N -1 3 299.326 3.270 20 30 CGEDHM N#CC[C@@H]1CCCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733753 818160935 /nfs/dbraw/zinc/16/09/35/818160935.db2.gz GDXXWDSMWHSPFJ-NSHDSACASA-N -1 3 264.756 3.171 20 30 CGEDHM CN(Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1[O-] ZINC001233387162 818606211 /nfs/dbraw/zinc/60/62/11/818606211.db2.gz XHKYPKQDXLZGFI-UHFFFAOYSA-N -1 3 293.326 3.037 20 30 CGEDHM COc1ccc(CN2CCC[C@H](CC#N)C2)c(Cl)c1[O-] ZINC001233400336 818610969 /nfs/dbraw/zinc/61/09/69/818610969.db2.gz DVSVHHWGFZUOJT-LLVKDONJSA-N -1 3 294.782 3.180 20 30 CGEDHM N#CC=C([O-])c1ccccc1OCCOC1CCCC1 ZINC001233525515 818633903 /nfs/dbraw/zinc/63/39/03/818633903.db2.gz VMQVEDKZZQQSBJ-UHFFFAOYSA-N -1 3 273.332 3.121 20 30 CGEDHM CC(=N[O-])c1ccc(O[C@@H]2CC(F)(F)C2(F)F)cc1 ZINC001234078908 818773880 /nfs/dbraw/zinc/77/38/80/818773880.db2.gz AFQHNWGBTWDMLX-SNVBAGLBSA-N -1 3 277.217 3.307 20 30 CGEDHM CC#C[C@@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792465 818924197 /nfs/dbraw/zinc/92/41/97/818924197.db2.gz BAFXOEHAKDPERJ-GFCCVEGCSA-N -1 3 276.332 3.093 20 30 CGEDHM Cc1nc(-c2cc([O-])cc(Cl)c2)ccc1CC#N ZINC001235899312 819209864 /nfs/dbraw/zinc/20/98/64/819209864.db2.gz GIVLSJFMJUXECZ-UHFFFAOYSA-N -1 3 258.708 3.482 20 30 CGEDHM Cc1c(C#N)c(-c2cncc([O-])c2)nc2ccccc12 ZINC001236576840 819541850 /nfs/dbraw/zinc/54/18/50/819541850.db2.gz CVSGGVJXLYBIAZ-UHFFFAOYSA-N -1 3 261.284 3.183 20 30 CGEDHM CC(C)(C)c1nc2c(o1)c(C#N)cnc2-c1cncc([O-])c1 ZINC001236579183 819543024 /nfs/dbraw/zinc/54/30/24/819543024.db2.gz WHQDHSAXZIBBNV-UHFFFAOYSA-N -1 3 294.314 3.160 20 30 CGEDHM C=CCN(CC=C)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236812438 819604122 /nfs/dbraw/zinc/60/41/22/819604122.db2.gz VSUMWCHPUYSHPK-UHFFFAOYSA-N -1 3 267.756 3.228 20 30 CGEDHM N#CCCN(CCC#N)Cc1cc2ccccc2cc1[O-] ZINC001236833152 819612746 /nfs/dbraw/zinc/61/27/46/819612746.db2.gz ORZRTDRMBZZEQN-UHFFFAOYSA-N -1 3 279.343 3.175 20 30 CGEDHM CN(C)C(=O)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001239804717 820618825 /nfs/dbraw/zinc/61/88/25/820618825.db2.gz RXTYIRHWHOFOTL-VCHYOVAHSA-N -1 3 286.306 3.003 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3ccc4c(c3)OCO4)ccc21 ZINC001240899688 821402721 /nfs/dbraw/zinc/40/27/21/821402721.db2.gz KUDPSXYADPHMBN-VKAVYKQESA-N -1 3 267.284 3.207 20 30 CGEDHM N#Cc1cc(-c2ccccc2[O-])ncc1C(F)(F)F ZINC001241007671 821484362 /nfs/dbraw/zinc/48/43/62/821484362.db2.gz IHBQNVLAVCVDMM-UHFFFAOYSA-N -1 3 264.206 3.345 20 30 CGEDHM CO/N=C/c1cc(-c2cc([O-])cc(F)c2)ccc1F ZINC001241282930 821701912 /nfs/dbraw/zinc/70/19/12/821701912.db2.gz PQKSSSRZZQUXPV-CAOOACKPSA-N -1 3 263.243 3.318 20 30 CGEDHM CCNC(=O)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001241618149 821996600 /nfs/dbraw/zinc/99/66/00/821996600.db2.gz AFEDKFMPCJYNGB-VXLYETTFSA-N -1 3 286.306 3.051 20 30 CGEDHM CCOc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001241705832 822088645 /nfs/dbraw/zinc/08/86/45/822088645.db2.gz HAHBCGOVTGSRPB-SDXDJHTJSA-N -1 3 268.316 3.272 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cnn(C4CCC4)c3)ccc21 ZINC001241724408 822104645 /nfs/dbraw/zinc/10/46/45/822104645.db2.gz MXSZCFXACNJNSU-VLGSPTGOSA-N -1 3 267.332 3.400 20 30 CGEDHM CO/N=C/c1cc(-c2ccc(F)cc2[O-])cc(F)c1F ZINC001242219296 822915457 /nfs/dbraw/zinc/91/54/57/822915457.db2.gz BLZLPRZSHHKQKA-CNHKJKLMSA-N -1 3 281.233 3.457 20 30 CGEDHM CC1(C)Oc2ccc(-c3ccc([O-])c(C#N)c3)cc2O1 ZINC001242565495 823035298 /nfs/dbraw/zinc/03/52/98/823035298.db2.gz HLAZLBMDZGHUBY-UHFFFAOYSA-N -1 3 267.284 3.438 20 30 CGEDHM COC(=O)CCCc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242566812 823036728 /nfs/dbraw/zinc/03/67/28/823036728.db2.gz LMDMWOIRVFZTLI-UHFFFAOYSA-N -1 3 295.338 3.427 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)c(C)s1 ZINC001344322498 936529562 /nfs/dbraw/zinc/52/95/62/936529562.db2.gz QOWFSVFPYYFGTN-SNVBAGLBSA-N -1 3 293.779 3.242 20 30 CGEDHM COc1cc(F)c(C(=O)[N-]c2sccc2C#N)c(F)c1 ZINC001348025192 936907392 /nfs/dbraw/zinc/90/73/92/936907392.db2.gz CSDFZPSQQIBXHF-UHFFFAOYSA-N -1 3 294.282 3.159 20 30 CGEDHM C#C[C@H](Oc1nc(=S)[n-]c2sccc21)C(C)C ZINC001229566237 932173454 /nfs/dbraw/zinc/17/34/54/932173454.db2.gz MEVCHKYUOAFAIW-VIFPVBQESA-N -1 3 264.375 3.017 20 30 CGEDHM C=C[C@@H](Oc1nc(C)[n-]c(=O)c1C)c1ccccc1 ZINC001229689978 932470038 /nfs/dbraw/zinc/47/00/38/932470038.db2.gz NWOVFLGMCQOVLM-CYBMUJFWSA-N -1 3 256.305 3.105 20 30 CGEDHM C/C(=N\[O-])c1ccccc1O[C@H]1CCCC(=O)C1(C)C ZINC001229736628 932476565 /nfs/dbraw/zinc/47/65/65/932476565.db2.gz FFAQVBAUGABYPZ-VUVCFOEZSA-N -1 3 275.348 3.411 20 30 CGEDHM N#Cc1cccc(OC(=C([O-])c2ccco2)c2ccco2)n1 ZINC001230044032 932528890 /nfs/dbraw/zinc/52/88/90/932528890.db2.gz UYMPJHOJCPSUHU-INIZCTEOSA-N -1 3 294.266 3.142 20 30 CGEDHM N#Cc1cc(-c2ccccc2-c2nnn[n-]2)ccc1Cl ZINC001240400417 932697167 /nfs/dbraw/zinc/69/71/67/932697167.db2.gz ATJGHZMTIVZUEJ-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM N#Cc1cc(-c2ccccc2-c2nn[n-]n2)ccc1Cl ZINC001240400417 932697174 /nfs/dbraw/zinc/69/71/74/932697174.db2.gz ATJGHZMTIVZUEJ-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N([O-])Cc1ccc(F)cc1 ZINC001306898627 932892988 /nfs/dbraw/zinc/89/29/88/932892988.db2.gz LGICFMWYDNJAQP-ZSOGYDGISA-N -1 3 277.339 3.370 20 30 CGEDHM CN(Cc1cc(C#N)cs1)Cc1cc(F)cc(F)c1[O-] ZINC001308958799 933212919 /nfs/dbraw/zinc/21/29/19/933212919.db2.gz PXHHADMDIMZJIQ-UHFFFAOYSA-N -1 3 294.326 3.236 20 30 CGEDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC001469273237 937737609 /nfs/dbraw/zinc/73/76/09/937737609.db2.gz HFXIQJIAVNIPSS-ZDUSSCGKSA-N -1 3 294.354 3.406 20 30 CGEDHM CC(C)[C@H](F)C(=O)N([O-])CCCCc1ccccc1 ZINC001472619719 937778273 /nfs/dbraw/zinc/77/82/73/937778273.db2.gz UDRLNIZOODKVBI-AWEZNQCLSA-N -1 3 267.344 3.221 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@]1(C)COc2ccccc2O1 ZINC001472621357 937778490 /nfs/dbraw/zinc/77/84/90/937778490.db2.gz QZPNJNRJGJPGHN-MRXNPFEDSA-N -1 3 293.363 3.015 20 30 CGEDHM C=CCO[N-]C(=O)CCCCc1ccc(Cl)cc1 ZINC001556633538 938204881 /nfs/dbraw/zinc/20/48/81/938204881.db2.gz JRLCMMCDIZPGBM-UHFFFAOYSA-N -1 3 267.756 3.287 20 30 CGEDHM CCCCCCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001577504664 962553702 /nfs/dbraw/zinc/55/37/02/962553702.db2.gz COSCHJKYDGYPSZ-UHFFFAOYSA-N -1 3 294.790 3.297 20 30 CGEDHM CCCCCCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001577504664 962553720 /nfs/dbraw/zinc/55/37/20/962553720.db2.gz COSCHJKYDGYPSZ-UHFFFAOYSA-N -1 3 294.790 3.297 20 30 CGEDHM C#C[C@H](NC1CCC(CC(=O)[O-])CC1)c1ccc(F)cc1 ZINC001588378547 963268145 /nfs/dbraw/zinc/26/81/45/963268145.db2.gz ZYLJENVWOJNJOQ-MOQPWLNLSA-N -1 3 289.350 3.123 20 30 CGEDHM C=C(C)CCSCc1cc(F)ccc1-c1nnn[n-]1 ZINC001588424017 963272075 /nfs/dbraw/zinc/27/20/75/963272075.db2.gz FFVCBYYFCRVIES-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=C(C)CCSCc1cc(F)ccc1-c1nn[n-]n1 ZINC001588424017 963272082 /nfs/dbraw/zinc/27/20/82/963272082.db2.gz FFVCBYYFCRVIES-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=C[C@H]1CCCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001588719366 963305886 /nfs/dbraw/zinc/30/58/86/963305886.db2.gz PYKQZEWTEQVBAG-ZDUSSCGKSA-N -1 3 263.312 3.064 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)CC2(C#N)CC2)c([O-])c1 ZINC000590362555 346844119 /nfs/dbraw/zinc/84/41/19/346844119.db2.gz LEZXWWNDZFCWJO-UHFFFAOYSA-N -1 3 272.348 3.322 20 30 CGEDHM CCc1cc(=O)[n-]c(CSCc2ccc(C#N)cc2)n1 ZINC000125665795 187195329 /nfs/dbraw/zinc/19/53/29/187195329.db2.gz MATVUAIOPFQNFU-UHFFFAOYSA-N -1 3 285.372 3.050 20 30 CGEDHM CC[C@@H](C)c1cc(C(=O)[N-]c2ccc(F)cc2C#N)on1 ZINC000177573710 529429512 /nfs/dbraw/zinc/42/95/12/529429512.db2.gz SMYXGUBXNCDJCB-SECBINFHSA-N -1 3 287.294 3.451 20 30 CGEDHM CC(C)N(CCC#N)Cc1cccc([O-])c1Br ZINC000590951214 346890419 /nfs/dbraw/zinc/89/04/19/346890419.db2.gz GLBGEWBKFXHVFY-UHFFFAOYSA-N -1 3 297.196 3.279 20 30 CGEDHM Cc1cc(C)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574193 344971455 /nfs/dbraw/zinc/97/14/55/344971455.db2.gz GGGWTZKYLSRKJO-HNNXBMFYSA-N -1 3 279.343 3.200 20 30 CGEDHM Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)c([O-])c1 ZINC000103186231 232182590 /nfs/dbraw/zinc/18/25/90/232182590.db2.gz NQRSUFJTDMWLNP-UHFFFAOYSA-N -1 3 298.367 3.303 20 30 CGEDHM Cc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1C ZINC000072673399 345415362 /nfs/dbraw/zinc/41/53/62/345415362.db2.gz XVSDGSKPUZIGPA-UHFFFAOYSA-N -1 3 298.268 3.271 20 30 CGEDHM Cc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1C ZINC000072673399 345415363 /nfs/dbraw/zinc/41/53/63/345415363.db2.gz XVSDGSKPUZIGPA-UHFFFAOYSA-N -1 3 298.268 3.271 20 30 CGEDHM CC#CCCCC(=O)Nc1c([O-])cccc1Cl ZINC000552782237 346655482 /nfs/dbraw/zinc/65/54/82/346655482.db2.gz ACKSWFZAXDPCDO-UHFFFAOYSA-N -1 3 251.713 3.178 20 30 CGEDHM Cc1ccc([O-])c(CNC2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594520411 347188821 /nfs/dbraw/zinc/18/88/21/347188821.db2.gz OYABPDNLWQZSGM-UHFFFAOYSA-N -1 3 293.370 3.136 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1 ZINC000611142068 348424936 /nfs/dbraw/zinc/42/49/36/348424936.db2.gz VHWWARGBFGVNAX-KRWDZBQOSA-N -1 3 286.375 3.293 20 30 CGEDHM N#Cc1csc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000352007628 219286399 /nfs/dbraw/zinc/28/63/99/219286399.db2.gz LSNGGCIVXHRMNH-ARJAWSKDSA-N -1 3 269.329 3.163 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2ccc([O-])c(CC)c2)C1 ZINC000617778802 349008779 /nfs/dbraw/zinc/00/87/79/349008779.db2.gz OSJXCLUHHUNVSF-ZDUSSCGKSA-N -1 3 273.376 3.383 20 30 CGEDHM C=CC[C@H]1CCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000629366439 350679548 /nfs/dbraw/zinc/67/95/48/350679548.db2.gz MQKAODBERKVZOZ-NSHDSACASA-N -1 3 279.767 3.436 20 30 CGEDHM CCOc1ccc(C#N)cc1NC([O-])=NOC[C@H](C)CC ZINC000291758026 198082474 /nfs/dbraw/zinc/08/24/74/198082474.db2.gz LCCQKALTNSFMLG-LLVKDONJSA-N -1 3 291.351 3.056 20 30 CGEDHM CCOc1ccc(C#N)cc1NC(=O)[N-]OC[C@H](C)CC ZINC000291758026 198082475 /nfs/dbraw/zinc/08/24/75/198082475.db2.gz LCCQKALTNSFMLG-LLVKDONJSA-N -1 3 291.351 3.056 20 30 CGEDHM C=C(C)[C@H](CC(=O)Nc1c(C)cccc1[O-])OCC ZINC000272578229 191799290 /nfs/dbraw/zinc/79/92/90/191799290.db2.gz VYUSEBFWGHAQKU-ZDUSSCGKSA-N -1 3 263.337 3.010 20 30 CGEDHM N#Cc1ccc(C(=O)Nc2ccc([O-])c3ccccc23)nc1 ZINC000518085235 283133280 /nfs/dbraw/zinc/13/32/80/283133280.db2.gz KUXRQKZOZOSVLQ-UHFFFAOYSA-N -1 3 289.294 3.064 20 30 CGEDHM CCc1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000049004999 369381245 /nfs/dbraw/zinc/38/12/45/369381245.db2.gz HBKVNPFKIQMDNV-LLVKDONJSA-N -1 3 256.330 3.196 20 30 CGEDHM C#C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(C)(C)C ZINC000288445465 371737396 /nfs/dbraw/zinc/73/73/96/371737396.db2.gz YUCCDUCFJKSRNR-LBPRGKRZSA-N -1 3 299.292 3.189 20 30 CGEDHM C[C@@H](CC#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177402720 373680789 /nfs/dbraw/zinc/68/07/89/373680789.db2.gz JJTZAOFSFFOPPK-LBPRGKRZSA-N -1 3 296.326 3.216 20 30 CGEDHM O=C(NCCC1=CCCCC1)c1csc(=O)[n-]1 ZINC000329902421 374440747 /nfs/dbraw/zinc/44/07/47/374440747.db2.gz HPWIQIMTKPTZNZ-UHFFFAOYSA-N -1 3 252.339 3.044 20 30 CGEDHM O=C(NC[C@H]1CCCc2ccccc21)c1csc(=O)[n-]1 ZINC000329899558 374440914 /nfs/dbraw/zinc/44/09/14/374440914.db2.gz FNNTUQGYEJGPPG-LLVKDONJSA-N -1 3 288.372 3.273 20 30 CGEDHM C[C@@]1(NC(=O)c2csc(=O)[n-]2)CCCc2ccccc21 ZINC000329900264 374441134 /nfs/dbraw/zinc/44/11/34/374441134.db2.gz GAVWXCIICWGJSB-OAHLLOKOSA-N -1 3 288.372 3.405 20 30 CGEDHM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1csc(=O)[n-]1 ZINC000329943976 374444803 /nfs/dbraw/zinc/44/48/03/374444803.db2.gz DWEHVBLUDGEDCN-JTQLQIEISA-N -1 3 296.392 3.035 20 30 CGEDHM CCc1onc(C)c1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000334227754 206222293 /nfs/dbraw/zinc/22/22/93/206222293.db2.gz GFFQNMXOUHMDLY-UHFFFAOYSA-N -1 3 289.360 3.348 20 30 CGEDHM CCc1ccc([O-])c(NC(=O)c2cscc2C#N)c1 ZINC000334481023 374785046 /nfs/dbraw/zinc/78/50/46/374785046.db2.gz UYJNVAVPZLFSPL-UHFFFAOYSA-N -1 3 272.329 3.140 20 30 CGEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)o2)c1[O-] ZINC000334266477 206282737 /nfs/dbraw/zinc/28/27/37/206282737.db2.gz MTGZYZBSFOJVFI-UHFFFAOYSA-N -1 3 276.679 3.071 20 30 CGEDHM C=C(C)CCc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000508666834 375757803 /nfs/dbraw/zinc/75/78/03/375757803.db2.gz QFRIEWBQSNUUAR-VQHVLOKHSA-N -1 3 256.305 3.454 20 30 CGEDHM CCc1cccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1[O-] ZINC000538745764 376268001 /nfs/dbraw/zinc/26/80/01/376268001.db2.gz XZMHWLYVIRCHHR-SJKOYZFVSA-N -1 3 286.375 3.157 20 30 CGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ncccc1[O-] ZINC000566882427 377502497 /nfs/dbraw/zinc/50/24/97/377502497.db2.gz QKWDTBPAIGHVRC-WBVHZDCISA-N -1 3 293.370 3.059 20 30 CGEDHM C=CCCCCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000573855709 377585955 /nfs/dbraw/zinc/58/59/55/377585955.db2.gz SQTGDAILTKWSLM-UHFFFAOYSA-N -1 3 265.353 3.464 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000354177233 380355031 /nfs/dbraw/zinc/35/50/31/380355031.db2.gz OVHDDKSCCKDMNV-UHFFFAOYSA-N -1 3 294.354 3.098 20 30 CGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)CC)cc1 ZINC000416956961 380555021 /nfs/dbraw/zinc/55/50/21/380555021.db2.gz KRNAGORXMBXITB-CQSZACIVSA-N -1 3 294.420 3.418 20 30 CGEDHM C[C@@H](C#N)CN(C(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000355348535 380651987 /nfs/dbraw/zinc/65/19/87/380651987.db2.gz NZQCZCYOKKOTDF-LBPRGKRZSA-N -1 3 294.354 3.310 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCCCCc1ccccc1 ZINC000358775558 381325197 /nfs/dbraw/zinc/32/51/97/381325197.db2.gz AMVROWBESCWXOQ-UHFFFAOYSA-N -1 3 289.404 3.285 20 30 CGEDHM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000361195438 381659542 /nfs/dbraw/zinc/65/95/42/381659542.db2.gz IJMHYPDKPYZVET-WCQYABFASA-N -1 3 282.347 3.048 20 30 CGEDHM CC(C)(C#N)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000361665764 381862566 /nfs/dbraw/zinc/86/25/66/381862566.db2.gz YYLNRPGJRRKBCM-HNNXBMFYSA-N -1 3 289.338 3.373 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)cc1Cl ZINC000361792835 381869972 /nfs/dbraw/zinc/86/99/72/381869972.db2.gz RPEWIPSHPTYJQU-GFCCVEGCSA-N -1 3 285.734 3.237 20 30 CGEDHM CC[C@@H](C)NN=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000497233872 262116613 /nfs/dbraw/zinc/11/66/13/262116613.db2.gz SDLRUDHAHICWKW-SECBINFHSA-N -1 3 298.412 3.212 20 30 CGEDHM CCCOc1ccc(CN(CC#N)C2CCCC2)c([O-])c1 ZINC000093563343 392239549 /nfs/dbraw/zinc/23/95/49/392239549.db2.gz CCUMJWMHRHKICS-UHFFFAOYSA-N -1 3 288.391 3.449 20 30 CGEDHM CC(C)(C)c1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000338861776 392933760 /nfs/dbraw/zinc/93/37/60/392933760.db2.gz NFCZEJBBXMBHGY-SNVBAGLBSA-N -1 3 285.372 3.326 20 30 CGEDHM C[C@@H](C#N)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000021262191 171300337 /nfs/dbraw/zinc/30/03/37/171300337.db2.gz SAOMFQLQSIKDHB-QMMMGPOBSA-N -1 3 294.767 3.041 20 30 CGEDHM C[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)CC1 ZINC000329915476 287430821 /nfs/dbraw/zinc/43/08/21/287430821.db2.gz DCIQYHBNIVJQMZ-BDAKNGLRSA-N -1 3 254.355 3.122 20 30 CGEDHM C=CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2CC)C1 ZINC000656759639 419210709 /nfs/dbraw/zinc/21/07/09/419210709.db2.gz IQUHDBRILQXIRB-GFCCVEGCSA-N -1 3 277.364 3.328 20 30 CGEDHM C=C(C)CN(CC)C(=O)Cc1ccc([O-])cc1Cl ZINC000160512428 262282695 /nfs/dbraw/zinc/28/26/95/262282695.db2.gz LDYDIFVOQWFWBG-UHFFFAOYSA-N -1 3 267.756 3.013 20 30 CGEDHM CC1(C)CCCN(Cc2cc(F)ccc2[O-])[C@H]1C#N ZINC000278457225 263048236 /nfs/dbraw/zinc/04/82/36/263048236.db2.gz ZETCVCAVPNCWJC-AWEZNQCLSA-N -1 3 262.328 3.045 20 30 CGEDHM N#C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])CC12CCCC2 ZINC000294752265 263167036 /nfs/dbraw/zinc/16/70/36/263167036.db2.gz DGKYDLUNDMXNGY-HNNXBMFYSA-N -1 3 290.750 3.458 20 30 CGEDHM CCc1ccc(C(=O)NC2(CC)CCOCC2)c([O-])c1 ZINC000331248058 264180494 /nfs/dbraw/zinc/18/04/94/264180494.db2.gz WNMWDMRDMBKGDJ-UHFFFAOYSA-N -1 3 277.364 3.218 20 30 CGEDHM C=CCN(CC=C)C(=O)c1ccc(OCCCC)cc1[O-] ZINC000189995601 264344834 /nfs/dbraw/zinc/34/48/34/264344834.db2.gz HLNCBFSGKFNAEP-UHFFFAOYSA-N -1 3 289.375 3.385 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)/C=C\c1cccc(C#N)c1 ZINC000255188304 287860042 /nfs/dbraw/zinc/86/00/42/287860042.db2.gz LTYGFFJYNOIBGR-HJWRWDBZSA-N -1 3 278.311 3.224 20 30 CGEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277352159 328221262 /nfs/dbraw/zinc/22/12/62/328221262.db2.gz FGMNGOJLZBBCTP-MEBBXXQBSA-N -1 3 292.766 3.248 20 30 CGEDHM C=CC[C@@H](CC)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000281737172 328506378 /nfs/dbraw/zinc/50/63/78/328506378.db2.gz OJGZWAKFHKLQDP-LLVKDONJSA-N -1 3 270.332 3.025 20 30 CGEDHM CCO[C@H]1C[C@H](/N=C/c2ccccc2[O-])C12CCC2 ZINC000125186605 327390744 /nfs/dbraw/zinc/39/07/44/327390744.db2.gz OFDCLTCEOLEPFB-CNTTZWEVSA-N -1 3 259.349 3.159 20 30 CGEDHM C=CCOc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000182216473 329240868 /nfs/dbraw/zinc/24/08/68/329240868.db2.gz OPTJACVADFNKGX-UHFFFAOYSA-N -1 3 269.300 3.209 20 30 CGEDHM CCc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c([O-])c1 ZINC000436834431 330686252 /nfs/dbraw/zinc/68/62/52/330686252.db2.gz PBMVQGJSKGMKBK-SJCJKPOMSA-N -1 3 286.375 3.157 20 30 CGEDHM CCOc1cc(CNCC(C)(C)C#N)cc(Cl)c1[O-] ZINC000459478952 331283964 /nfs/dbraw/zinc/28/39/64/331283964.db2.gz HRGZNECTFNCWRN-UHFFFAOYSA-N -1 3 282.771 3.084 20 30 CGEDHM CC#CCCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000184844076 333132565 /nfs/dbraw/zinc/13/25/65/333132565.db2.gz OTTVEOIBUDVNMQ-UHFFFAOYSA-N -1 3 265.740 3.486 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000539844126 333697914 /nfs/dbraw/zinc/69/79/14/333697914.db2.gz BHPXHUCQRBKZDU-SJCJKPOMSA-N -1 3 286.375 3.157 20 30 CGEDHM Cc1cc(=O)[n-]c(C=Cc2cccc(OCCCC#N)c2)n1 ZINC000352027012 534016787 /nfs/dbraw/zinc/01/67/87/534016787.db2.gz MZEWJDGGOPMHGR-BQYQJAHWSA-N -1 3 295.342 3.344 20 30 CGEDHM CC[C@H](OC1CCCCC1)C(=O)[N-]c1nncn1C1CC1 ZINC000329098968 529155879 /nfs/dbraw/zinc/15/58/79/529155879.db2.gz CYMNFOHFSKYWHY-ZDUSSCGKSA-N -1 3 292.383 3.329 20 30 CGEDHM CC[C@@H](OC1CCCCC1)C(=O)[N-]c1nncn1C1CC1 ZINC000329098967 529244920 /nfs/dbraw/zinc/24/49/20/529244920.db2.gz CYMNFOHFSKYWHY-CYBMUJFWSA-N -1 3 292.383 3.329 20 30 CGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)c(C)cc1Cl ZINC000334902776 529270329 /nfs/dbraw/zinc/27/03/29/529270329.db2.gz ZUOQNIBDKGJNMZ-JTQLQIEISA-N -1 3 286.784 3.001 20 30 CGEDHM COC[C@@H](/N=C\c1ccccc1[O-])c1ccccc1 ZINC000727060934 571710869 /nfs/dbraw/zinc/71/08/69/571710869.db2.gz ALJRAZDOQAOWBF-QJISPJEISA-N -1 3 255.317 3.199 20 30 CGEDHM CC(=NNc1nc2ccccc2[nH]1)c1ccc(F)cc1[O-] ZINC000727776945 571768423 /nfs/dbraw/zinc/76/84/23/571768423.db2.gz JPQHQUOJDNGEED-UHFFFAOYSA-N -1 3 284.294 3.244 20 30 CGEDHM N#Cc1c(F)cccc1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000737706079 571776383 /nfs/dbraw/zinc/77/63/83/571776383.db2.gz VWQSUCUVXMAYRV-UHFFFAOYSA-N -1 3 297.318 3.029 20 30 CGEDHM N#Cc1c(F)cccc1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000737706079 571776387 /nfs/dbraw/zinc/77/63/87/571776387.db2.gz VWQSUCUVXMAYRV-UHFFFAOYSA-N -1 3 297.318 3.029 20 30 CGEDHM C[C@H](/N=C/c1ccccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226228 571796453 /nfs/dbraw/zinc/79/64/53/571796453.db2.gz KRENBTNXWJTQHX-MKFNJMOCSA-N -1 3 294.354 3.091 20 30 CGEDHM Cc1ccc([O-])c(C=NNc2ccccc2Cl)n1 ZINC000728777121 571820153 /nfs/dbraw/zinc/82/01/53/571820153.db2.gz DNDBKWBEVBEPKK-UHFFFAOYSA-N -1 3 261.712 3.195 20 30 CGEDHM CC(=NNCCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000729146312 571878427 /nfs/dbraw/zinc/87/84/27/571878427.db2.gz RZAIAUYDUKIKKQ-UHFFFAOYSA-N -1 3 286.350 3.478 20 30 CGEDHM CCC[C@H](/N=C\c1ccc(O)c([O-])c1O)c1ccccn1 ZINC000729149566 571879125 /nfs/dbraw/zinc/87/91/25/571879125.db2.gz LOLCYIRRUBLEFO-XACIZNRCSA-N -1 3 286.331 3.159 20 30 CGEDHM COc1ccc(CNN=C(C)c2ccc([O-])cc2F)cc1 ZINC000729932533 571937436 /nfs/dbraw/zinc/93/74/36/571937436.db2.gz DVNNZIKQOSTSNT-UHFFFAOYSA-N -1 3 288.322 3.054 20 30 CGEDHM Cc1ccc2c(c1)[C@H](/N=C/c1ccc(O)c([O-])c1O)CC2 ZINC000730146621 571951090 /nfs/dbraw/zinc/95/10/90/571951090.db2.gz CIDRUDKRYWCGCO-UHPUNMKFSA-N -1 3 283.327 3.218 20 30 CGEDHM Cc1ccsc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000737441211 572343757 /nfs/dbraw/zinc/34/37/57/572343757.db2.gz AHEFNPMIUWIZFO-WAYWQWQTSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1ccsc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000737441211 572343759 /nfs/dbraw/zinc/34/37/59/572343759.db2.gz AHEFNPMIUWIZFO-WAYWQWQTSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1cc(C)c(CN=Cc2cc(Cl)ccc2[O-])c(=O)[nH]1 ZINC000730547292 572362053 /nfs/dbraw/zinc/36/20/53/572362053.db2.gz RSKUHSWQUQRFQE-IDUWFGFVSA-N -1 3 290.750 3.382 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\[C@@H]2C[C@@H]2C2CCCCC2)c1O ZINC000741465778 572500640 /nfs/dbraw/zinc/50/06/40/572500640.db2.gz YHBRABZRKVNPRB-UMOJFFKJSA-N -1 3 275.348 3.191 20 30 CGEDHM Cc1nc(C/N=C/c2ccccc2[O-])nc2ccccc12 ZINC000726429262 572576722 /nfs/dbraw/zinc/57/67/22/572576722.db2.gz LZFJHHUCGQMEOV-VCHYOVAHSA-N -1 3 277.327 3.263 20 30 CGEDHM C[C@@H]1CCCC[C@@H]1CC/N=C/c1ccc(O)c([O-])c1O ZINC000733903656 572611592 /nfs/dbraw/zinc/61/15/92/572611592.db2.gz NWJNPJJNAUVBDC-SYRODZOTSA-N -1 3 277.364 3.439 20 30 CGEDHM COc1cccc([O-])c1/C=N\Cc1c(C)cccc1F ZINC000743043086 572635984 /nfs/dbraw/zinc/63/59/84/572635984.db2.gz RAIPYXWGDSDIFS-ZDLGFXPLSA-N -1 3 273.307 3.467 20 30 CGEDHM CCCC=CC([O-])=C(C#N)c1nc2ccccc2o1 ZINC000735208239 572708921 /nfs/dbraw/zinc/70/89/21/572708921.db2.gz XSFUGRYAOPBHGY-VUQUXZKVSA-N -1 3 254.289 3.360 20 30 CGEDHM C=CCCCSCc1cccc(-c2nnn[n-]2)c1 ZINC000735413715 572717437 /nfs/dbraw/zinc/71/74/37/572717437.db2.gz YJZHKVWNFCJMSE-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM C=CCCCSCc1cccc(-c2nn[n-]n2)c1 ZINC000735413715 572717440 /nfs/dbraw/zinc/71/74/40/572717440.db2.gz YJZHKVWNFCJMSE-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM CCC1(C/N=C/c2c([O-])cccc2OC)CCOCC1 ZINC000745977196 572845957 /nfs/dbraw/zinc/84/59/57/572845957.db2.gz QODDGWBSRNFTFV-GZTJUZNOSA-N -1 3 277.364 3.027 20 30 CGEDHM Cc1cccc2ncc(/C=C\C(=O)c3cccc([O-])c3)n21 ZINC000748997175 572987875 /nfs/dbraw/zinc/98/78/75/572987875.db2.gz AIGFDVYIEXYQND-HJWRWDBZSA-N -1 3 278.311 3.244 20 30 CGEDHM O=C1c2cc(F)ccc2O/C1=C\c1ccc([O-])cc1 ZINC000749746025 573029396 /nfs/dbraw/zinc/02/93/96/573029396.db2.gz KOTSWKVTVYRXBP-AUWJEWJLSA-N -1 3 256.232 3.148 20 30 CGEDHM CCOc1ccc(/C=N/[C@H](C)Cc2ccncc2)c([O-])c1 ZINC000749844587 573046385 /nfs/dbraw/zinc/04/63/85/573046385.db2.gz KVFFGBAHUHOFQC-KZKLBEMASA-N -1 3 284.359 3.236 20 30 CGEDHM CC1(C)CCCC(=Cc2ccc(-c3nnn[n-]3)s2)C1=O ZINC000820589538 606860076 /nfs/dbraw/zinc/86/00/76/606860076.db2.gz HNTWTXFUZJLATA-HJWRWDBZSA-N -1 3 288.376 3.091 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826281226 607882682 /nfs/dbraw/zinc/88/26/82/607882682.db2.gz JTNJPLUXZORQNC-KHPPLWFESA-N -1 3 290.326 3.071 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826281226 607882683 /nfs/dbraw/zinc/88/26/83/607882683.db2.gz JTNJPLUXZORQNC-KHPPLWFESA-N -1 3 290.326 3.071 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826295659 607883807 /nfs/dbraw/zinc/88/38/07/607883807.db2.gz RVVYQIQNGDVSRO-MDZDMXLPSA-N -1 3 290.326 3.071 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826295659 607883808 /nfs/dbraw/zinc/88/38/08/607883808.db2.gz RVVYQIQNGDVSRO-MDZDMXLPSA-N -1 3 290.326 3.071 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccsc2)c(OC)cc1[O-] ZINC000255130040 617966107 /nfs/dbraw/zinc/96/61/07/617966107.db2.gz SDUQNERXWRTFHY-ARJAWSKDSA-N -1 3 290.340 3.367 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C#N)C(C)(C)C)n[n-]2)o1 ZINC000184932737 619056240 /nfs/dbraw/zinc/05/62/40/619056240.db2.gz FUTNJLBUUIZJNA-ZDUSSCGKSA-N -1 3 287.319 3.073 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C#N)C(C)(C)C)[n-]n2)o1 ZINC000184932737 619056243 /nfs/dbraw/zinc/05/62/43/619056243.db2.gz FUTNJLBUUIZJNA-ZDUSSCGKSA-N -1 3 287.319 3.073 20 30 CGEDHM Cc1cccc(C/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000005931297 619218307 /nfs/dbraw/zinc/21/83/07/619218307.db2.gz QEJIBJLWZHXVJM-LZYBPNLTSA-N -1 3 260.724 3.368 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(C)(C)C#N)n[n-]2)o1 ZINC000178814281 619398994 /nfs/dbraw/zinc/39/89/94/619398994.db2.gz RIXIXQFSWBSESK-JTQLQIEISA-N -1 3 287.319 3.073 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(C)(C)C#N)[n-]n2)o1 ZINC000178814281 619398997 /nfs/dbraw/zinc/39/89/97/619398997.db2.gz RIXIXQFSWBSESK-JTQLQIEISA-N -1 3 287.319 3.073 20 30 CGEDHM CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc([O-])cc1Cl ZINC000901300432 620850359 /nfs/dbraw/zinc/85/03/59/620850359.db2.gz QRKUJZFXCOYPBO-NXEZZACHSA-N -1 3 296.798 3.315 20 30 CGEDHM O=C(CC[C@H]1CCOC1)N([O-])Cc1cccc2ccccc21 ZINC000901371623 620866212 /nfs/dbraw/zinc/86/62/12/620866212.db2.gz WSHMQKASVUJDHZ-AWEZNQCLSA-N -1 3 299.370 3.374 20 30 CGEDHM O=C([C@@H]1C[C@@H]1C1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901372073 620866249 /nfs/dbraw/zinc/86/62/49/620866249.db2.gz PEVPWIYSJIVZHE-HUUCEWRRSA-N -1 3 277.339 3.370 20 30 CGEDHM CC[C@H](C)[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372182 620866474 /nfs/dbraw/zinc/86/64/74/620866474.db2.gz UCJOHHABXPZCGV-WDEREUQCSA-N -1 3 253.317 3.226 20 30 CGEDHM CCCCS[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374820 620867872 /nfs/dbraw/zinc/86/78/72/620867872.db2.gz SPZJJAVBHWIIDX-NSHDSACASA-N -1 3 285.384 3.465 20 30 CGEDHM COc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1F ZINC000901374239 620867890 /nfs/dbraw/zinc/86/78/90/620867890.db2.gz HFNZHFZTEHXWFF-UHFFFAOYSA-N -1 3 293.269 3.005 20 30 CGEDHM C[C@H]1CCCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375731 620867966 /nfs/dbraw/zinc/86/79/66/620867966.db2.gz LJCLQHHDSNBLQI-SMDDNHRTSA-N -1 3 265.328 3.370 20 30 CGEDHM C=C1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC000902231185 621204164 /nfs/dbraw/zinc/20/41/64/621204164.db2.gz NDVMBDJNMRDPTD-UHFFFAOYSA-N -1 3 282.343 3.085 20 30 CGEDHM CSC1(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000904170263 621883948 /nfs/dbraw/zinc/88/39/48/621883948.db2.gz ASMYWCGLOMNNHX-UHFFFAOYSA-N -1 3 287.384 3.453 20 30 CGEDHM O=C([C@@H]1CCCC(F)(F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904172870 621884385 /nfs/dbraw/zinc/88/43/85/621884385.db2.gz CYPYDLMMYSBNOP-LLVKDONJSA-N -1 3 287.281 3.369 20 30 CGEDHM Cc1noc(C2CC2)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174162 621884788 /nfs/dbraw/zinc/88/47/88/621884788.db2.gz VGCRIBLXDODUPD-UHFFFAOYSA-N -1 3 290.294 3.031 20 30 CGEDHM CCCCN([O-])C(=O)C[C@H](C)c1ccccc1OC ZINC000904210214 621886016 /nfs/dbraw/zinc/88/60/16/621886016.db2.gz IKNQUOYBKXMVAF-LBPRGKRZSA-N -1 3 265.353 3.207 20 30 CGEDHM CCCCN([O-])C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000904210488 621886218 /nfs/dbraw/zinc/88/62/18/621886218.db2.gz RJYSFJKTNOJKHY-UHFFFAOYSA-N -1 3 293.363 3.066 20 30 CGEDHM CCCCN([O-])C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000904207885 621886366 /nfs/dbraw/zinc/88/63/66/621886366.db2.gz GYCQVOBBZDJRDR-UHFFFAOYSA-N -1 3 295.427 3.106 20 30 CGEDHM O=C(C1CC2(CC2)C1)N([O-])Cc1ccccc1Cl ZINC000904192455 621887251 /nfs/dbraw/zinc/88/72/51/621887251.db2.gz MKCJPSVPPIMXKK-UHFFFAOYSA-N -1 3 265.740 3.248 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000904204901 621889491 /nfs/dbraw/zinc/88/94/91/621889491.db2.gz VLRKVFFJCARLRB-NSHDSACASA-N -1 3 281.400 3.318 20 30 CGEDHM CCCCN([O-])C(=O)C[C@H](CC#N)c1ccccc1 ZINC000904213262 621890847 /nfs/dbraw/zinc/89/08/47/621890847.db2.gz MTNMHTKECJDSCR-AWEZNQCLSA-N -1 3 260.337 3.092 20 30 CGEDHM C=C(C)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000755990589 625669867 /nfs/dbraw/zinc/66/98/67/625669867.db2.gz DKZPMLAINKUDLI-JTQLQIEISA-N -1 3 260.293 3.100 20 30 CGEDHM C=C(C)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000755990589 625669873 /nfs/dbraw/zinc/66/98/73/625669873.db2.gz DKZPMLAINKUDLI-JTQLQIEISA-N -1 3 260.293 3.100 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1Cc2ccccc2O1 ZINC000914701304 623847317 /nfs/dbraw/zinc/84/73/17/623847317.db2.gz FHVXPOKBLNMDFO-BBSXFRJVSA-N -1 3 287.746 3.468 20 30 CGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000916912014 624222037 /nfs/dbraw/zinc/22/20/37/624222037.db2.gz IBTIZAKPJSFIBG-AWEZNQCLSA-N -1 3 296.326 3.112 20 30 CGEDHM COc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1CO ZINC000918154399 624338559 /nfs/dbraw/zinc/33/85/59/624338559.db2.gz MFGSQOAVMMDGBH-UHFFFAOYSA-N -1 3 291.734 3.297 20 30 CGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)C1CCCCC1 ZINC000920383193 624486077 /nfs/dbraw/zinc/48/60/77/624486077.db2.gz HHEWEHOXMXFQNI-UHFFFAOYSA-N -1 3 294.420 3.062 20 30 CGEDHM C=CCn1c(SCCCCCCC)n[n-]c1=O ZINC000759718722 626917922 /nfs/dbraw/zinc/91/79/22/626917922.db2.gz XRUGBLXDVVTQCP-UHFFFAOYSA-N -1 3 255.387 3.232 20 30 CGEDHM C=CCCCCCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000805218581 627010305 /nfs/dbraw/zinc/01/03/05/627010305.db2.gz FLAJKVLYUBVCAB-UHFFFAOYSA-N -1 3 299.374 3.202 20 30 CGEDHM CC[C@@H](CC#N)NCc1cc(C)cc(Br)c1[O-] ZINC000762794474 627124214 /nfs/dbraw/zinc/12/42/14/627124214.db2.gz MAFYQLNFHRFKSD-NSHDSACASA-N -1 3 297.196 3.245 20 30 CGEDHM CCC(N=Nc1cncc(Cl)n1)c1ccc([O-])c(F)c1 ZINC000764681429 627218059 /nfs/dbraw/zinc/21/80/59/627218059.db2.gz COCKKSALAUIXRG-UHFFFAOYSA-N -1 3 294.717 3.201 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc(C#N)cc2F)ccc1[O-] ZINC000772797871 627823993 /nfs/dbraw/zinc/82/39/93/627823993.db2.gz QIJWFLIFBJVFPA-XQRVVYSFSA-N -1 3 297.285 3.308 20 30 CGEDHM Cn1[n-]ccc1=NN=C1CC=C(c2ccc(F)cc2)CC1 ZINC000774414831 627987271 /nfs/dbraw/zinc/98/72/71/627987271.db2.gz WLTXVKQAPORQHP-UHFFFAOYSA-N -1 3 284.338 3.017 20 30 CGEDHM CCOc1ccccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776274427 628187864 /nfs/dbraw/zinc/18/78/64/628187864.db2.gz NMQFWSCYPQDJRF-UHFFFAOYSA-N -1 3 297.310 3.020 20 30 CGEDHM CC(N=Nc1cc(Cl)ccn1)c1ccc([O-])c(F)c1 ZINC000777912798 628310685 /nfs/dbraw/zinc/31/06/85/628310685.db2.gz DSDYSGYLEOLMIK-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM C=CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1Cl ZINC000874928147 634653887 /nfs/dbraw/zinc/65/38/87/634653887.db2.gz OYAPGNXMLMNGBV-YRNVUSSQSA-N -1 3 295.747 3.229 20 30 CGEDHM N#CC[C@@H](CC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000792855226 629387461 /nfs/dbraw/zinc/38/74/61/629387461.db2.gz XFTBUZCUJBDAEW-KRWDZBQOSA-N -1 3 294.354 3.322 20 30 CGEDHM C[C@@H](NN=Cc1c([O-])cccc1Cl)C(C)(C)C ZINC000793114779 629412835 /nfs/dbraw/zinc/41/28/35/629412835.db2.gz NKWRTZXLPNZYAS-SECBINFHSA-N -1 3 254.761 3.404 20 30 CGEDHM CC[C@H]1COCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125307 629480079 /nfs/dbraw/zinc/48/00/79/629480079.db2.gz SOICSVNJEFSONA-VIFPVBQESA-N -1 3 288.376 3.117 20 30 CGEDHM CCOCCCN=Nc1nc2ccccc2[n-]c1=S ZINC000863125037 629480578 /nfs/dbraw/zinc/48/05/78/629480578.db2.gz LEPIHKVXGPFONL-UHFFFAOYSA-N -1 3 276.365 3.117 20 30 CGEDHM COC[C@@H](C)C(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863129675 629481170 /nfs/dbraw/zinc/48/11/70/629481170.db2.gz WNRDYVPCINQATL-SECBINFHSA-N -1 3 290.392 3.363 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1C[C@H]1C1CC1 ZINC000797397820 629940236 /nfs/dbraw/zinc/94/02/36/629940236.db2.gz HCVVUFPALSCEDT-NOVGAOEUSA-N -1 3 280.165 3.372 20 30 CGEDHM CCCCCCCS(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000799641859 630206434 /nfs/dbraw/zinc/20/64/34/630206434.db2.gz RDCGVLJUVJEMJX-UHFFFAOYSA-N -1 3 287.429 3.245 20 30 CGEDHM CCCCCCCS(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000808346709 630638654 /nfs/dbraw/zinc/63/86/54/630638654.db2.gz LHSHDHBMMKTOOD-UHFFFAOYSA-N -1 3 297.411 3.454 20 30 CGEDHM CO[C@](C)(C/N=C/c1cc(Cl)ccc1[O-])C1CC1 ZINC000812445373 631261333 /nfs/dbraw/zinc/26/13/33/631261333.db2.gz WKLZGLSAROOOIY-UVYNJXETSA-N -1 3 267.756 3.280 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/CCCCF ZINC000812444395 631261774 /nfs/dbraw/zinc/26/17/74/631261774.db2.gz FWGXMCPBEPHAKY-RIYZIHGNSA-N -1 3 274.133 3.323 20 30 CGEDHM [O-]c1c(C=NO[C@@H]2CCCCO2)ccc2ccccc21 ZINC000814887840 631666003 /nfs/dbraw/zinc/66/60/03/631666003.db2.gz RQTLHUFLZPBCJE-OAHLLOKOSA-N -1 3 271.316 3.423 20 30 CGEDHM [O-]c1c(C=NO[C@H]2CCCCO2)ccc2ccccc21 ZINC000814887834 631666104 /nfs/dbraw/zinc/66/61/04/631666104.db2.gz RQTLHUFLZPBCJE-HNNXBMFYSA-N -1 3 271.316 3.423 20 30 CGEDHM CN(Cc1cccc(Br)c1[O-])CC(C)(C)C#N ZINC000816632643 632029015 /nfs/dbraw/zinc/02/90/15/632029015.db2.gz SAOZTOGKRJYVQP-UHFFFAOYSA-N -1 3 297.196 3.136 20 30 CGEDHM C=CCO[N-]C(=O)Cc1csc2sc(C)cc12 ZINC000868763884 633358377 /nfs/dbraw/zinc/35/83/77/633358377.db2.gz DYWZTNARROGTCW-UHFFFAOYSA-N -1 3 267.375 3.048 20 30 CGEDHM N#Cc1cccc(O[N-]C(=O)c2cc3c(s2)CCCC3)c1 ZINC000870693557 633628482 /nfs/dbraw/zinc/62/84/82/633628482.db2.gz LXZCZBGCZYHYIL-UHFFFAOYSA-N -1 3 298.367 3.222 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=CC2CCCC2)nc(C)n1 ZINC000842682822 635439827 /nfs/dbraw/zinc/43/98/27/635439827.db2.gz NYLGRXVWTKXTQS-HSBSLETESA-N -1 3 269.348 3.016 20 30 CGEDHM C[C@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1cccs1 ZINC000128387984 635988229 /nfs/dbraw/zinc/98/82/29/635988229.db2.gz AZTSQWJBAGVMDE-BRSWLGOBSA-N -1 3 295.791 3.434 20 30 CGEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128724051 636067895 /nfs/dbraw/zinc/06/78/95/636067895.db2.gz DMJVWYYBRVFBHI-CQSZACIVSA-N -1 3 296.326 3.112 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000846541049 636196484 /nfs/dbraw/zinc/19/64/84/636196484.db2.gz OTFAIMCCGGSTRZ-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM C=C(C)CO[N-]C(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000846539666 636196500 /nfs/dbraw/zinc/19/65/00/636196500.db2.gz LCQFORVBJDUDDY-CQSZACIVSA-N -1 3 289.375 3.129 20 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3.494 20 30 CGEDHM N#CC(=C([O-])C=C(C1CC1)C1CC1)c1cccc(F)n1 ZINC001122632031 802877535 /nfs/dbraw/zinc/87/75/35/802877535.db2.gz NVHLMWFNGWMIBI-ZDUSSCGKSA-N -1 3 270.307 3.143 20 30 CGEDHM Cc1scc(C([O-])=C(C#N)c2ncc(Cl)n2C)c1C ZINC001123234264 802920599 /nfs/dbraw/zinc/92/05/99/802920599.db2.gz STGTYEFVILUYOP-SECBINFHSA-N -1 3 293.779 3.242 20 30 CGEDHM N#Cc1c(Cl)cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001244723814 803513825 /nfs/dbraw/zinc/51/38/25/803513825.db2.gz LEXVREGDKUDAPI-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM N#Cc1c(Cl)cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001244723814 803513827 /nfs/dbraw/zinc/51/38/27/803513827.db2.gz LEXVREGDKUDAPI-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM COCOc1ccc(-c2cccc(/C=N/[O-])c2)c(OC)c1 ZINC001244922053 803577576 /nfs/dbraw/zinc/57/75/76/803577576.db2.gz MALSIOUFRLURST-LICLKQGHSA-N -1 3 287.315 3.153 20 30 CGEDHM Cc1c(N)c(F)ccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001245463293 803750889 /nfs/dbraw/zinc/75/08/89/803750889.db2.gz MKILHUHRYIQDSJ-CNHKJKLMSA-N -1 3 262.259 3.331 20 30 CGEDHM C=CCSCCNC(=O)c1cc2sccc2c([O-])c1 ZINC001138173960 803870525 /nfs/dbraw/zinc/87/05/25/803870525.db2.gz JXSVCUBTSATZHI-UHFFFAOYSA-N -1 3 293.413 3.256 20 30 CGEDHM N#C[C@H]1CCCCN1Cc1c([O-])cccc1Br ZINC001140100757 804376896 /nfs/dbraw/zinc/37/68/96/804376896.db2.gz ATQPFSZNGNZJMU-SNVBAGLBSA-N -1 3 295.180 3.033 20 30 CGEDHM CCCCCCCCNC(=S)Nc1cc(=O)[n-]c(C)n1 ZINC001247141723 804668055 /nfs/dbraw/zinc/66/80/55/804668055.db2.gz VXYAVSFSJPCIJA-UHFFFAOYSA-N -1 3 296.440 3.138 20 30 CGEDHM N#CC1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142105455 804695345 /nfs/dbraw/zinc/69/53/45/804695345.db2.gz APOCKPIRHRCVCC-UHFFFAOYSA-N -1 3 285.174 3.435 20 30 CGEDHM CC(C)Oc1cc(F)c([N-]c2oncc2C#N)c(F)c1 ZINC001249773235 805239856 /nfs/dbraw/zinc/23/98/56/805239856.db2.gz FTSYRVHHUHRMOK-UHFFFAOYSA-N -1 3 279.246 3.355 20 30 CGEDHM Cc1nc(Cl)ccc1Nc1cc(C#N)ccc1[O-] ZINC001250156188 805450192 /nfs/dbraw/zinc/45/01/92/805450192.db2.gz KZDNZYZDHIQUMI-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM COc1cccc(OC)c1Nc1ccc([O-])c(C#N)c1 ZINC001173923047 808763282 /nfs/dbraw/zinc/76/32/82/808763282.db2.gz SJLMJRUUQVPOQS-UHFFFAOYSA-N -1 3 270.288 3.025 20 30 CGEDHM N#Cc1ccc(Nc2ccc3occc(=O)c3c2)c([O-])c1 ZINC001174945894 809210673 /nfs/dbraw/zinc/21/06/73/809210673.db2.gz FYONZRRCVQPRKK-UHFFFAOYSA-N -1 3 278.267 3.114 20 30 CGEDHM COc1ccc(Nc2c(F)ccc([O-])c2F)cc1C#N ZINC001175268667 809332100 /nfs/dbraw/zinc/33/21/00/809332100.db2.gz PFJLJFLQEWQZCY-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM C=CCCO[N-]C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001301635475 809585101 /nfs/dbraw/zinc/58/51/01/809585101.db2.gz NZWZPZXHOWUZDJ-KGLIPLIRSA-N -1 3 259.349 3.050 20 30 CGEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccs2)ccc1[O-] ZINC001177543972 809808296 /nfs/dbraw/zinc/80/82/96/809808296.db2.gz FBAYJDVEIPHZHD-RYUDHWBXSA-N -1 3 284.340 3.068 20 30 CGEDHM N#Cc1cc(NC(=O)[C@H]2CC23CCCCC3)ccc1[O-] ZINC001181908089 810083153 /nfs/dbraw/zinc/08/31/53/810083153.db2.gz JNYZYELRXWAIKU-CYBMUJFWSA-N -1 3 270.332 3.173 20 30 CGEDHM C[C@@H](C(=O)Nc1ccc(F)c([O-])c1)c1ccc(C#N)cc1 ZINC001182800029 810125091 /nfs/dbraw/zinc/12/50/91/810125091.db2.gz YJFAZXOHFQEZFU-SNVBAGLBSA-N -1 3 284.290 3.145 20 30 CGEDHM CCCCN([O-])C(=O)CCCOc1ccccc1F ZINC001184314775 810190571 /nfs/dbraw/zinc/19/05/71/810190571.db2.gz JVHLWQRMXWDDAJ-UHFFFAOYSA-N -1 3 269.316 3.003 20 30 CGEDHM CC1(C)CC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001184347724 810195241 /nfs/dbraw/zinc/19/52/41/810195241.db2.gz BBTYQFCYFUZAJJ-GFCCVEGCSA-N -1 3 265.328 3.370 20 30 CGEDHM N#Cc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1 ZINC001213989515 815355031 /nfs/dbraw/zinc/35/50/31/815355031.db2.gz CGYOLWKZIUNBPM-UHFFFAOYSA-N -1 3 286.722 3.328 20 30 CGEDHM CC(=O)c1cccc([O-])c1Nc1cc(C#N)ccc1F ZINC001214601580 815430954 /nfs/dbraw/zinc/43/09/54/815430954.db2.gz SQRKTJSPONMRAK-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM N#Cc1ccc(Nc2cncc([O-])c2)c(F)c1Cl ZINC001201646702 811930223 /nfs/dbraw/zinc/93/02/23/811930223.db2.gz LLPZYTSDZNRGQD-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM Cc1noc([N-]c2c3cc[nH]c3ccc2F)c1C#N ZINC001204258304 812590126 /nfs/dbraw/zinc/59/01/26/812590126.db2.gz BKSQORGTCXFGHL-UHFFFAOYSA-N -1 3 256.240 3.219 20 30 CGEDHM Cc1cc(Nc2cc(C#N)ccc2[O-])ccc1N(C)C ZINC001210043026 814260857 /nfs/dbraw/zinc/26/08/57/814260857.db2.gz JKNVURWXFDXJSQ-UHFFFAOYSA-N -1 3 267.332 3.382 20 30 CGEDHM N#Cc1ccncc1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210822496 814644248 /nfs/dbraw/zinc/64/42/48/814644248.db2.gz IHICMQZQHZVVER-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM CC(C)Oc1cnc(F)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001215783790 815588744 /nfs/dbraw/zinc/58/87/44/815588744.db2.gz VXASIIGBEHQJSF-UHFFFAOYSA-N -1 3 287.294 3.329 20 30 CGEDHM COc1ncc(Nc2cccc(Cl)c2C#N)cc1[O-] ZINC001216209860 815739214 /nfs/dbraw/zinc/73/92/14/815739214.db2.gz NQVMEYPQTBTMKF-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM CC(C)(C#N)c1ccc(-c2ccc(F)c([O-])c2)cn1 ZINC001243052460 823229150 /nfs/dbraw/zinc/22/91/50/823229150.db2.gz WSJCDQZEBPBNOF-UHFFFAOYSA-N -1 3 256.280 3.394 20 30 CGEDHM C=C(C)C[C@H](Oc1[n-]c(C)cc(=O)c1C#N)C(=C)C ZINC001225469127 817062795 /nfs/dbraw/zinc/06/27/95/817062795.db2.gz ZPIDWHXFCLBQDD-AWEZNQCLSA-N -1 3 258.321 3.257 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cccc(F)c2F)[n-]1 ZINC001225469746 817064441 /nfs/dbraw/zinc/06/44/41/817064441.db2.gz NNVSSWVYQIHKTK-SECBINFHSA-N -1 3 290.269 3.386 20 30 CGEDHM CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=S)ncc1C ZINC001225741596 817164127 /nfs/dbraw/zinc/16/41/27/817164127.db2.gz YKVACJRLPVYKQH-AWEZNQCLSA-N -1 3 284.384 3.283 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@@H](C#N)c2ccccc2)c1 ZINC001225998122 817243880 /nfs/dbraw/zinc/24/38/80/817243880.db2.gz IFAVQKXPLIYLKT-INIZCTEOSA-N -1 3 267.284 3.238 20 30 CGEDHM C#C[C@H](CCCC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531960 817389708 /nfs/dbraw/zinc/38/97/08/817389708.db2.gz KNMBQGJVAFMCHR-GFCCVEGCSA-N -1 3 286.327 3.378 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ccnc(=S)[n-]2)C1 ZINC001226939881 817511222 /nfs/dbraw/zinc/51/12/22/817511222.db2.gz JWCJQFUGYAYQKF-RYUDHWBXSA-N -1 3 262.378 3.445 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H]2CCc3ccccc3C2)c1 ZINC001227351594 817630572 /nfs/dbraw/zinc/63/05/72/817630572.db2.gz WAOHRQKRFYCZFV-OAHLLOKOSA-N -1 3 265.312 3.200 20 30 CGEDHM C#C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001227747287 817712076 /nfs/dbraw/zinc/71/20/76/817712076.db2.gz ZNVCXDAOAZQAAB-OAHLLOKOSA-N -1 3 293.282 3.224 20 30 CGEDHM C#C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1 ZINC001227747287 817712081 /nfs/dbraw/zinc/71/20/81/817712081.db2.gz ZNVCXDAOAZQAAB-OAHLLOKOSA-N -1 3 293.282 3.224 20 30 CGEDHM Cc1[n-]c(=O)cc(O[C@H](C)c2ccccc2C#N)c1[N+](=O)[O-] ZINC001228689681 817973698 /nfs/dbraw/zinc/97/36/98/817973698.db2.gz WIZGTELETUOCNE-SNVBAGLBSA-N -1 3 299.286 3.016 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231121837 818035846 /nfs/dbraw/zinc/03/58/46/818035846.db2.gz NNMZZMHYOVYJET-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231121837 818035847 /nfs/dbraw/zinc/03/58/47/818035847.db2.gz NNMZZMHYOVYJET-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM N#C[C@H]1CCCCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231521846 818120731 /nfs/dbraw/zinc/12/07/31/818120731.db2.gz FIPQBGOQEXYHEA-LLVKDONJSA-N -1 3 284.281 3.289 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCCC[C@@H]1C ZINC001233800366 818707337 /nfs/dbraw/zinc/70/73/37/818707337.db2.gz PAXNUQSJWFUKJD-VSYSVEPCSA-N -1 3 263.337 3.461 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC[C@H](C)C1 ZINC001233804277 818708462 /nfs/dbraw/zinc/70/84/62/818708462.db2.gz WDFTTYOMXIKOBB-JVYTYZJESA-N -1 3 263.337 3.461 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCCC(=O)C1(C)C ZINC001233802526 818708982 /nfs/dbraw/zinc/70/89/82/818708982.db2.gz HFMUZKDIRCNBTR-ADFUCPMPSA-N -1 3 291.347 3.030 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@H]2CCc3cc(F)ccc32)c1 ZINC001234143621 818789883 /nfs/dbraw/zinc/78/98/83/818789883.db2.gz FLOYGMUWZORWDF-INIZCTEOSA-N -1 3 269.275 3.469 20 30 CGEDHM Cc1ccccc1OC[C@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234143929 818791132 /nfs/dbraw/zinc/79/11/32/818791132.db2.gz HKGCRYSJCHLZCB-ZDUSSCGKSA-N -1 3 283.327 3.419 20 30 CGEDHM C#C[C@H]1CCC[C@H]1Oc1c(Cl)ccc([O-])c1F ZINC001234263288 818819712 /nfs/dbraw/zinc/81/97/12/818819712.db2.gz WLXWNFXKUNJFNG-GZMMTYOYSA-N -1 3 254.688 3.365 20 30 CGEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C1CCCC1 ZINC001234513004 818870190 /nfs/dbraw/zinc/87/01/90/818870190.db2.gz HNXVTZSWPFQTBT-JTQLQIEISA-N -1 3 283.331 3.165 20 30 CGEDHM CC#C[C@@H](CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690855 818917233 /nfs/dbraw/zinc/91/72/33/818917233.db2.gz GEKSZIHVVMKGGR-CYBMUJFWSA-N -1 3 268.316 3.030 20 30 CGEDHM CC(C)Oc1ncccc1-c1cccc(/C=N/[O-])c1 ZINC001236104153 819320952 /nfs/dbraw/zinc/32/09/52/819320952.db2.gz LLNFREPDXPPDFU-LICLKQGHSA-N -1 3 256.305 3.344 20 30 CGEDHM CC(=O)n1ncc2ccc(-c3ccccc3C=N[O-])cc21 ZINC001243483271 823417882 /nfs/dbraw/zinc/41/78/82/823417882.db2.gz VCNXSWLYSHNCFN-UHFFFAOYSA-N -1 3 279.299 3.172 20 30 CGEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1Cl ZINC001237126481 819674194 /nfs/dbraw/zinc/67/41/94/819674194.db2.gz LQWUXTAIMRIPFI-RTCCRHLQSA-N -1 3 294.757 3.451 20 30 CGEDHM C#CC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237806051 819848461 /nfs/dbraw/zinc/84/84/61/819848461.db2.gz QMTZJOOLDNPSBA-UHFFFAOYSA-N -1 3 267.731 3.030 20 30 CGEDHM [O-]/N=C/c1cccc(-c2c(Cl)cccc2CO)c1 ZINC001243712506 823498719 /nfs/dbraw/zinc/49/87/19/823498719.db2.gz LAKJIDZLJWIBPK-LZYBPNLTSA-N -1 3 261.708 3.307 20 30 CGEDHM COc1cc(-c2ccc([O-])c(F)c2)ccc1CC#N ZINC001240787271 821328272 /nfs/dbraw/zinc/32/82/72/821328272.db2.gz VFCLHUJDTRHBFL-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM COc1ccc(CC#N)cc1-c1c(F)ccc([O-])c1F ZINC001241293120 821710616 /nfs/dbraw/zinc/71/06/16/821710616.db2.gz QHJASUFYJMYARC-UHFFFAOYSA-N -1 3 275.254 3.412 20 30 CGEDHM C[S@](=O)c1ccccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001241342137 821746934 /nfs/dbraw/zinc/74/69/34/821746934.db2.gz JYJZHXXVDHTBQK-DNCJFXNASA-N -1 3 285.368 3.216 20 30 CGEDHM COc1cc(C#N)ccc1-c1cccc(/C=N/[O-])c1 ZINC001241403132 821801149 /nfs/dbraw/zinc/80/11/49/821801149.db2.gz JUGSQGNOCNAJRM-LICLKQGHSA-N -1 3 252.273 3.042 20 30 CGEDHM Cc1cc(C#N)cc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001242480593 823007577 /nfs/dbraw/zinc/00/75/77/823007577.db2.gz MHZCSMCEMHPQKW-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1cc(C#N)cc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001242480593 823007580 /nfs/dbraw/zinc/00/75/80/823007580.db2.gz MHZCSMCEMHPQKW-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM N#Cc1cc(-c2cccc(-c3ncc[nH]3)c2)ccc1[O-] ZINC001242565044 823034953 /nfs/dbraw/zinc/03/49/53/823034953.db2.gz IOJWDSIBRAHIOR-UHFFFAOYSA-N -1 3 261.284 3.321 20 30 CGEDHM C=CC1(OC(=O)c2cccc3[n-]c(C(F)F)nc32)CC1 ZINC001345585855 936815558 /nfs/dbraw/zinc/81/55/58/936815558.db2.gz FCUMKVPTPCJKIX-UHFFFAOYSA-N -1 3 278.258 3.376 20 30 CGEDHM C#Cc1cccc(N(CC)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001443412519 937347294 /nfs/dbraw/zinc/34/72/94/937347294.db2.gz UKWGKKVFLSUEMH-UHFFFAOYSA-N -1 3 297.329 3.108 20 30 CGEDHM C=CCCN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001447808461 937371151 /nfs/dbraw/zinc/37/11/51/937371151.db2.gz JRJKKKCCXSLKOD-UHFFFAOYSA-N -1 3 261.346 3.255 20 30 CGEDHM C=C[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229187386 932112905 /nfs/dbraw/zinc/11/29/05/932112905.db2.gz ZOZCQLDTNGHKLW-SNVBAGLBSA-N -1 3 294.306 3.121 20 30 CGEDHM C#C[C@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229807586 932487331 /nfs/dbraw/zinc/48/73/31/932487331.db2.gz JLLZYZYNXCPDJZ-NSHDSACASA-N -1 3 298.338 3.466 20 30 CGEDHM C#C[C@H](Oc1ccccc1-c1nnn[n-]1)[C@@H](CC)CCCC ZINC001229954476 932509807 /nfs/dbraw/zinc/50/98/07/932509807.db2.gz LGNWPVQOAVDAHZ-ZFWWWQNUSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@H](Oc1ccccc1-c1nn[n-]n1)[C@@H](CC)CCCC ZINC001229954476 932509811 /nfs/dbraw/zinc/50/98/11/932509811.db2.gz LGNWPVQOAVDAHZ-ZFWWWQNUSA-N -1 3 298.390 3.464 20 30 CGEDHM COc1ccsc1C(=O)N([O-])Cc1ccccc1Cl ZINC001306893958 932763497 /nfs/dbraw/zinc/76/34/97/932763497.db2.gz CVZFUDXUPLLLNX-UHFFFAOYSA-N -1 3 297.763 3.442 20 30 CGEDHM CCCCCCCCCNC(=O)c1cccc2n[n-]nc21 ZINC001464029447 937684439 /nfs/dbraw/zinc/68/44/39/937684439.db2.gz UKDWLKAVILHINP-UHFFFAOYSA-N -1 3 288.395 3.438 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(CCCC)cc1 ZINC001469743956 937743320 /nfs/dbraw/zinc/74/33/20/937743320.db2.gz YBRYMHNRGFKBFT-UHFFFAOYSA-N -1 3 261.365 3.196 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001472620940 937778153 /nfs/dbraw/zinc/77/81/53/937778153.db2.gz ZGMVWWVEDWIDGV-QWRGUYRKSA-N -1 3 269.291 3.086 20 30 CGEDHM CCCCCCN([O-])C(=O)CO[C@H]1CCCC[C@H]1C ZINC001472621542 937778673 /nfs/dbraw/zinc/77/86/73/937778673.db2.gz YREBKMGWOLPIFU-KGLIPLIRSA-N -1 3 271.401 3.380 20 30 CGEDHM C#C[C@H](CC)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001514597557 938001946 /nfs/dbraw/zinc/00/19/46/938001946.db2.gz UXTOBCILWXJZDT-MRVPVSSYSA-N -1 3 278.258 3.069 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccccc1F)c1cccc(F)n1 ZINC001516710593 938009497 /nfs/dbraw/zinc/00/94/97/938009497.db2.gz NOUKKYJXRFSTGE-BCPZQOPPSA-N -1 3 284.265 3.249 20 30 CGEDHM Cc1ccc(C(=O)N2CCc3c2cccc3C#N)c([O-])c1C ZINC001557102942 938207983 /nfs/dbraw/zinc/20/79/83/938207983.db2.gz KEIMVGLSYHMMBL-UHFFFAOYSA-N -1 3 292.338 3.084 20 30 CGEDHM CCCCN([O-])C(=O)c1csc(-c2ccc(C)o2)n1 ZINC001559035483 938219250 /nfs/dbraw/zinc/21/92/50/938219250.db2.gz SAZHZHUPZZEIML-UHFFFAOYSA-N -1 3 280.349 3.343 20 30 CGEDHM CCCCN([O-])C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001559035621 938219277 /nfs/dbraw/zinc/21/92/77/938219277.db2.gz YTRIODGXBKUFIK-LLVKDONJSA-N -1 3 253.317 3.337 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1ccc(F)c2c1CCCC2 ZINC001583439162 962811340 /nfs/dbraw/zinc/81/13/40/962811340.db2.gz MUVWVGGMACMASY-UHFFFAOYSA-N -1 3 291.366 3.261 20 30 CGEDHM C=CC(C)(C)CCNC(=O)c1cc(SC)ccc1[O-] ZINC001585553446 963026792 /nfs/dbraw/zinc/02/67/92/963026792.db2.gz IZZDEWJAWDFTEF-UHFFFAOYSA-N -1 3 279.405 3.446 20 30 CGEDHM C#C[C@H](N[C@@H](C)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1 ZINC001588378275 963266002 /nfs/dbraw/zinc/26/60/02/963266002.db2.gz WIFOLXYFHGIIOZ-WFASDCNBSA-N -1 3 291.366 3.369 20 30 CGEDHM C#C[C@@H](N[C@H](C)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1 ZINC001588378272 963269989 /nfs/dbraw/zinc/26/99/89/963269989.db2.gz WIFOLXYFHGIIOZ-IUODEOHRSA-N -1 3 291.366 3.369 20 30 CGEDHM C=CC[C@H]1CCCC[C@@H]1Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588558747 963283871 /nfs/dbraw/zinc/28/38/71/963283871.db2.gz CILRBGJLVIIHDD-JSGCOSHPSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@H]1CCCC[C@@H]1Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588558747 963283878 /nfs/dbraw/zinc/28/38/78/963283878.db2.gz CILRBGJLVIIHDD-JSGCOSHPSA-N -1 3 298.394 3.117 20 30 CGEDHM C=C(CNCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001588637631 963294007 /nfs/dbraw/zinc/29/40/07/963294007.db2.gz SMXJDDXTONCVLC-UHFFFAOYSA-N -1 3 285.318 3.327 20 30 CGEDHM C=CC[C@@H](NCc1cc(C(=O)[O-])c(CC)[nH]1)c1ccncc1 ZINC001588748875 963310381 /nfs/dbraw/zinc/31/03/81/963310381.db2.gz AAJOZWDJPVKYCA-MRXNPFEDSA-N -1 3 299.374 3.077 20 30 CGEDHM C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001588786652 963314170 /nfs/dbraw/zinc/31/41/70/963314170.db2.gz QSWZCNPPFDCSID-RYUDHWBXSA-N -1 3 277.364 3.486 20 30 CGEDHM C/C=C\C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594686623 987068597 /nfs/dbraw/zinc/06/85/97/987068597.db2.gz ZVPURRPJJPSVLN-SFAKSCPVSA-N -1 3 298.386 3.435 20 30 CGEDHM C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594219398 998842462 /nfs/dbraw/zinc/84/24/62/998842462.db2.gz IUALESXJAUXXMA-JHJVBQTASA-N -1 3 286.375 3.123 20 30 CGEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(C)c1 ZINC000076763367 345549427 /nfs/dbraw/zinc/54/94/27/345549427.db2.gz UGMQOJFMYKTJTD-ZDUSSCGKSA-N -1 3 286.356 3.259 20 30 CGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)C=CCCC2 ZINC000594696601 347210165 /nfs/dbraw/zinc/21/01/65/347210165.db2.gz KZZQWLLVHJTIOX-OAHLLOKOSA-N -1 3 290.388 3.080 20 30 CGEDHM C=CCCSCCNCc1cccc([O-])c1Cl ZINC000594959718 347240907 /nfs/dbraw/zinc/24/09/07/347240907.db2.gz AQTKZVODKFIAKR-UHFFFAOYSA-N -1 3 271.813 3.445 20 30 CGEDHM CCn1nc(C)c([N-]c2nc(C#N)c(Cl)s2)c1C ZINC000596139429 347387999 /nfs/dbraw/zinc/38/79/99/347387999.db2.gz UUDVLPNSPKSIQF-UHFFFAOYSA-N -1 3 281.772 3.245 20 30 CGEDHM COC1CCC(CCN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596199618 347397865 /nfs/dbraw/zinc/39/78/65/347397865.db2.gz UECFXLQKMMIQIT-UHFFFAOYSA-N -1 3 299.827 3.097 20 30 CGEDHM C[C@@H]1C[C@@H](CCN=c2[n-]c(C#N)c(Cl)s2)C[C@H](C)O1 ZINC000596227559 347400906 /nfs/dbraw/zinc/40/09/06/347400906.db2.gz QVIUZZAKCCMVKX-ILWJIGKKSA-N -1 3 299.827 3.096 20 30 CGEDHM N#Cc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)c([O-])c1 ZINC000600785235 347834945 /nfs/dbraw/zinc/83/49/45/347834945.db2.gz PAAXUYWOCYBAQN-MRXNPFEDSA-N -1 3 295.338 3.236 20 30 CGEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000617035534 348902880 /nfs/dbraw/zinc/90/28/80/348902880.db2.gz NSGISDDEBDLWBO-WFASDCNBSA-N -1 3 259.349 3.257 20 30 CGEDHM C=CC[C@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000625701575 350198396 /nfs/dbraw/zinc/19/83/96/350198396.db2.gz KSYWKJVCPYZTRO-AWEZNQCLSA-N -1 3 295.386 3.247 20 30 CGEDHM C=CCCC(C)(C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000633963536 351406518 /nfs/dbraw/zinc/40/65/18/351406518.db2.gz MGAOKPKEYWGXOL-UHFFFAOYSA-N -1 3 298.386 3.250 20 30 CGEDHM CCc1cc(=O)[n-]c(CSCc2cccc(C#N)c2)n1 ZINC000177970114 189081995 /nfs/dbraw/zinc/08/19/95/189081995.db2.gz IZVQZJWIAKDAAB-UHFFFAOYSA-N -1 3 285.372 3.050 20 30 CGEDHM C#CCCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000192193660 189615706 /nfs/dbraw/zinc/61/57/06/189615706.db2.gz RTDKNJPTBAKHCW-UHFFFAOYSA-N -1 3 251.713 3.096 20 30 CGEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1ccccn1 ZINC000046439656 369293792 /nfs/dbraw/zinc/29/37/92/369293792.db2.gz SGVYKSBMNRFDRH-GFCCVEGCSA-N -1 3 256.692 3.225 20 30 CGEDHM CCCn1c(S[C@@H](C)c2ccc(C#N)cc2)n[n-]c1=O ZINC000118172707 370604814 /nfs/dbraw/zinc/60/48/14/370604814.db2.gz GQXLLJBOJBKJKP-JTQLQIEISA-N -1 3 288.376 3.119 20 30 CGEDHM O=C(NC(C1CCC1)C1CCC1)c1csc(=O)[n-]1 ZINC000329218086 227357590 /nfs/dbraw/zinc/35/75/90/227357590.db2.gz RHKILIJLGVSEQK-UHFFFAOYSA-N -1 3 266.366 3.122 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1cc(CC)ccc1[O-] ZINC000428045225 372178561 /nfs/dbraw/zinc/17/85/61/372178561.db2.gz PMERICLUBPKENR-ZDUSSCGKSA-N -1 3 259.349 3.135 20 30 CGEDHM Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2F)c([O-])c1C ZINC000436572277 372838872 /nfs/dbraw/zinc/83/88/72/372838872.db2.gz YXBPAFBBEZVOAB-HNNXBMFYSA-N -1 3 298.317 3.143 20 30 CGEDHM Cc1nsc([N-]C(=O)c2cc3ccccc3o2)c1C#N ZINC000439303513 372976636 /nfs/dbraw/zinc/97/66/36/372976636.db2.gz PBLQWIQFUTUDID-UHFFFAOYSA-N -1 3 283.312 3.322 20 30 CGEDHM C=C(C)COc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296571156 373181924 /nfs/dbraw/zinc/18/19/24/373181924.db2.gz SWYDDZHISPXPMH-UHFFFAOYSA-N -1 3 264.325 3.103 20 30 CGEDHM C=C(C)COc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296571156 373181929 /nfs/dbraw/zinc/18/19/29/373181929.db2.gz SWYDDZHISPXPMH-UHFFFAOYSA-N -1 3 264.325 3.103 20 30 CGEDHM C=C(Cl)CNCc1cc(Cl)c([O-])c(OCC)c1 ZINC000297351775 373267435 /nfs/dbraw/zinc/26/74/35/373267435.db2.gz FFKOIXMWMOMTAM-UHFFFAOYSA-N -1 3 276.163 3.286 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2oc(CC)nc2C)s1 ZINC000298710948 373389236 /nfs/dbraw/zinc/38/92/36/373389236.db2.gz ZOMFIDWLJKQERP-UHFFFAOYSA-N -1 3 289.360 3.293 20 30 CGEDHM N#CC(=C([O-])c1cnc2ccc(F)cc2c1)c1ccccn1 ZINC000179609834 373896754 /nfs/dbraw/zinc/89/67/54/373896754.db2.gz MNSZTGRTPYPMNQ-AWEZNQCLSA-N -1 3 291.285 3.259 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@H](C)C[C@H]2CCCO2)c1 ZINC000330439894 374464363 /nfs/dbraw/zinc/46/43/63/374464363.db2.gz OLKGOGVNGUGYEB-DGCLKSJQSA-N -1 3 277.364 3.217 20 30 CGEDHM CC[C@@H]1CCCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329920071 374441049 /nfs/dbraw/zinc/44/10/49/374441049.db2.gz DSPPOAMQVXXFGR-RKDXNWHRSA-N -1 3 254.355 3.122 20 30 CGEDHM O=C(N[C@@H](CO)CC1CCCC1)c1cc([O-])ccc1Cl ZINC000330534585 374478010 /nfs/dbraw/zinc/47/80/10/374478010.db2.gz INUMLWALMHCYPN-LLVKDONJSA-N -1 3 297.782 3.291 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000332535724 374579550 /nfs/dbraw/zinc/57/95/50/374579550.db2.gz VBYJMEHFMBBNBC-CYBMUJFWSA-N -1 3 296.370 3.017 20 30 CGEDHM N#Cc1cnc(C(=O)[N-]c2cc(F)ccc2F)c(Cl)c1 ZINC000334659308 374950114 /nfs/dbraw/zinc/95/01/14/374950114.db2.gz HOZUNGNHGBPIHN-UHFFFAOYSA-N -1 3 293.660 3.137 20 30 CGEDHM CSc1ccc(C(=O)[N-]c2scc(C)c2C#N)o1 ZINC000335994416 375600685 /nfs/dbraw/zinc/60/06/85/375600685.db2.gz JJKFVBKTTZHTAI-UHFFFAOYSA-N -1 3 278.358 3.495 20 30 CGEDHM C=CCCCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168052 375939560 /nfs/dbraw/zinc/93/95/60/375939560.db2.gz JPPZYGXTEKKRQG-UHFFFAOYSA-N -1 3 277.339 3.238 20 30 CGEDHM C=CCCc1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000337582623 376230098 /nfs/dbraw/zinc/23/00/98/376230098.db2.gz CRLHFYGPMYUXCQ-UHFFFAOYSA-N -1 3 297.358 3.228 20 30 CGEDHM CCc1cccc(C(=O)N[C@H](C#N)C2CCCCC2)c1[O-] ZINC000538776060 376269240 /nfs/dbraw/zinc/26/92/40/376269240.db2.gz ZWCAIEBFXISWJA-OAHLLOKOSA-N -1 3 286.375 3.157 20 30 CGEDHM Cc1ccc2c(CN(C[C@H](C)C#N)C3CC3)ccc([O-])c2n1 ZINC000338286690 376314421 /nfs/dbraw/zinc/31/44/21/376314421.db2.gz OJKUZHAQVLWQCE-GFCCVEGCSA-N -1 3 295.386 3.373 20 30 CGEDHM N#Cc1ccnc(Sc2cccc([O-])c2)c1Cl ZINC000236572833 376667490 /nfs/dbraw/zinc/66/74/90/376667490.db2.gz LVPGIFZXXFBKCA-UHFFFAOYSA-N -1 3 262.721 3.463 20 30 CGEDHM C=CCN(CCOc1ccc(C(=O)[O-])cc1Cl)C1CC1 ZINC000568520521 377520341 /nfs/dbraw/zinc/52/03/41/377520341.db2.gz DNPFERYHRVVSCR-UHFFFAOYSA-N -1 3 295.766 3.067 20 30 CGEDHM C=CCn1c(S[C@@H](C)CCc2ccccc2)n[n-]c1=O ZINC000348127049 378803495 /nfs/dbraw/zinc/80/34/95/378803495.db2.gz ZHXXZNKLLIXLMB-LBPRGKRZSA-N -1 3 289.404 3.283 20 30 CGEDHM N#CC1(CC[S@@](=O)c2ccc([O-])cc2)CCCCC1 ZINC000414228639 380204032 /nfs/dbraw/zinc/20/40/32/380204032.db2.gz DVNRVQOQPQJKSF-LJQANCHMSA-N -1 3 277.389 3.364 20 30 CGEDHM CC[C@H](C)NN=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000497233873 262116478 /nfs/dbraw/zinc/11/64/78/262116478.db2.gz SDLRUDHAHICWKW-VIFPVBQESA-N -1 3 298.412 3.212 20 30 CGEDHM C=CCOc1ccccc1C(=O)Nc1ccccc1[O-] ZINC000030603194 391961656 /nfs/dbraw/zinc/96/16/56/391961656.db2.gz QRZHNMLWGGPBSS-UHFFFAOYSA-N -1 3 269.300 3.209 20 30 CGEDHM C=CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462070014 392966862 /nfs/dbraw/zinc/96/68/62/392966862.db2.gz ULIWSWWVCVMOGF-UHFFFAOYSA-N -1 3 299.339 3.011 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(Cl)c1OCC ZINC000417611964 393350891 /nfs/dbraw/zinc/35/08/91/393350891.db2.gz QMCBCHZMYWSTTK-GFCCVEGCSA-N -1 3 297.782 3.248 20 30 CGEDHM N#C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000335915296 228001993 /nfs/dbraw/zinc/00/19/93/228001993.db2.gz TVIKJCPZAQRNFH-AWEZNQCLSA-N -1 3 286.718 3.040 20 30 CGEDHM N#CCN(C(=O)c1cc2c(cc1[O-])CCCC2)C1CCCC1 ZINC000332169186 228150852 /nfs/dbraw/zinc/15/08/52/228150852.db2.gz PHVQSWAFMZFCBC-UHFFFAOYSA-N -1 3 298.386 3.179 20 30 CGEDHM CC[C@@H](CC#N)NCc1cc(Cl)cc(C)c1[O-] ZINC000184092644 262009036 /nfs/dbraw/zinc/00/90/36/262009036.db2.gz GNDKXYAZDXJJBU-LBPRGKRZSA-N -1 3 252.745 3.136 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185045020 262300283 /nfs/dbraw/zinc/30/02/83/262300283.db2.gz SSKZDLHONCUJIW-UHFFFAOYSA-N -1 3 273.376 3.309 20 30 CGEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc([O-])c1 ZINC000272847096 263009374 /nfs/dbraw/zinc/00/93/74/263009374.db2.gz SDAFRCSETXMKBH-UHFFFAOYSA-N -1 3 274.364 3.184 20 30 CGEDHM CCCN(CC#N)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294650333 263165208 /nfs/dbraw/zinc/16/52/08/263165208.db2.gz VRLPQBRMPSJEMN-UHFFFAOYSA-N -1 3 296.370 3.240 20 30 CGEDHM N#Cc1cccc(/C=C/C(=O)Nc2ccc([O-])cc2F)c1 ZINC000183282487 268233859 /nfs/dbraw/zinc/23/38/59/268233859.db2.gz DIIIGMRPXQMRGB-QPJJXVBHSA-N -1 3 282.274 3.055 20 30 CGEDHM C=CCN(Cc1cc([O-])cc(F)c1)CC(F)(F)F ZINC000186196230 276892633 /nfs/dbraw/zinc/89/26/33/276892633.db2.gz BYGGLPJJDRNHIH-UHFFFAOYSA-N -1 3 263.234 3.082 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000351622657 277913108 /nfs/dbraw/zinc/91/31/08/277913108.db2.gz DMKULZHLLIATAL-JTQLQIEISA-N -1 3 265.740 3.226 20 30 CGEDHM C=C(CC)CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000563281697 328007539 /nfs/dbraw/zinc/00/75/39/328007539.db2.gz CHIKHNXWMNFRMZ-UHFFFAOYSA-N -1 3 283.318 3.208 20 30 CGEDHM COc1cc(Cl)cc(CN2CCC(C)(C#N)CC2)c1[O-] ZINC000273771481 328206499 /nfs/dbraw/zinc/20/64/99/328206499.db2.gz QVBONQQNGKGDIT-UHFFFAOYSA-N -1 3 294.782 3.180 20 30 CGEDHM Cc1onc(C2CC2)c1C(=O)[N-]c1sccc1C#N ZINC000570801528 322282530 /nfs/dbraw/zinc/28/25/30/322282530.db2.gz CLQZDVIHGUBQBR-UHFFFAOYSA-N -1 3 273.317 3.046 20 30 CGEDHM Cc1csc([N-]C(=O)c2nc3c(s2)CCC3)c1C#N ZINC000571652107 322304217 /nfs/dbraw/zinc/30/42/17/322304217.db2.gz CSZPDCGJRPQCLS-UHFFFAOYSA-N -1 3 289.385 3.126 20 30 CGEDHM Cc1noc(C)c1[C@H](C)C/N=C/c1ccccc1[O-] ZINC000129588219 327431645 /nfs/dbraw/zinc/43/16/45/327431645.db2.gz YSOTVAPVWVUGSG-VCBXAZPMSA-N -1 3 258.321 3.220 20 30 CGEDHM C=CC[C@@H](CC)NC(=O)c1cc([O-])ccc1Cl ZINC000290920130 327539700 /nfs/dbraw/zinc/53/97/00/327539700.db2.gz QKFRPVYAJIMDKV-SECBINFHSA-N -1 3 253.729 3.130 20 30 CGEDHM C=CC[C@H]1N(C(=O)c2cccc(O)c2[O-])CCCC1(C)C ZINC000277874304 330118607 /nfs/dbraw/zinc/11/86/07/330118607.db2.gz DRJIAFXJEKTUEZ-CQSZACIVSA-N -1 3 289.375 3.305 20 30 CGEDHM CSc1cc(O)ccc1[N-]C(=O)c1cc(C#N)cs1 ZINC000191177315 330129051 /nfs/dbraw/zinc/12/90/51/330129051.db2.gz XCIXRDCKMYPKBW-UHFFFAOYSA-N -1 3 290.369 3.300 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc(CC)cc1[O-] ZINC000436818721 330685896 /nfs/dbraw/zinc/68/58/96/330685896.db2.gz BIDIROOHHHRDPQ-CYBMUJFWSA-N -1 3 259.349 3.135 20 30 CGEDHM C=C(C)CCc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453177225 331097459 /nfs/dbraw/zinc/09/74/59/331097459.db2.gz GHVMUQNVZDOOJC-UHFFFAOYSA-N -1 3 262.284 3.014 20 30 CGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404892883 333032921 /nfs/dbraw/zinc/03/29/21/333032921.db2.gz CAWOGJWGHQBYRQ-UHFFFAOYSA-N -1 3 285.384 3.015 20 30 CGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000522576759 333290908 /nfs/dbraw/zinc/29/09/08/333290908.db2.gz BYQZNMHMURBXEN-MRVPVSSYSA-N -1 3 294.203 3.236 20 30 CGEDHM C=CCCc1ccccc1NC(=O)c1cccc2nn[n-]c21 ZINC000548807486 334175055 /nfs/dbraw/zinc/17/50/55/334175055.db2.gz OYIRTHOJYQJZBZ-UHFFFAOYSA-N -1 3 292.342 3.329 20 30 CGEDHM C=CCCc1ccccc1NC(=O)c1cccc2[n-]nnc21 ZINC000548807486 334175057 /nfs/dbraw/zinc/17/50/57/334175057.db2.gz OYIRTHOJYQJZBZ-UHFFFAOYSA-N -1 3 292.342 3.329 20 30 CGEDHM C=CCCc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000548807486 334175058 /nfs/dbraw/zinc/17/50/58/334175058.db2.gz OYIRTHOJYQJZBZ-UHFFFAOYSA-N -1 3 292.342 3.329 20 30 CGEDHM C=CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000550013136 334211500 /nfs/dbraw/zinc/21/15/00/334211500.db2.gz BSQHITOVVKZZPG-TWGQIWQCSA-N -1 3 268.316 3.226 20 30 CGEDHM CCc1cccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1[O-] ZINC000578079514 335482450 /nfs/dbraw/zinc/48/24/50/335482450.db2.gz UPIQUQYPSGIQAJ-AWEZNQCLSA-N -1 3 286.375 3.109 20 30 CGEDHM Cc1nc2c(cccc2C([O-])=C(C#N)c2ccccn2)o1 ZINC000347759254 534627236 /nfs/dbraw/zinc/62/72/36/534627236.db2.gz KGZMNNDSDRKIGD-LBPRGKRZSA-N -1 3 277.283 3.021 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(Cl)s1 ZINC000344740609 527334823 /nfs/dbraw/zinc/33/48/23/527334823.db2.gz WPYFXXUKUMWESN-UHFFFAOYSA-N -1 3 287.797 3.177 20 30 CGEDHM CCCn1c(S[C@H](C)c2cccc(C#N)c2)n[n-]c1=O ZINC000442904983 528822279 /nfs/dbraw/zinc/82/22/79/528822279.db2.gz YRZLDPFMOMOQDV-SNVBAGLBSA-N -1 3 288.376 3.119 20 30 CGEDHM C=CCN(CC=C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750046958 573077956 /nfs/dbraw/zinc/07/79/56/573077956.db2.gz KKIORRRPCBPBGP-UHFFFAOYSA-N -1 3 279.767 3.422 20 30 CGEDHM N#CCC[C@H](NC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000749297036 571700163 /nfs/dbraw/zinc/70/01/63/571700163.db2.gz JRRKICJBIOCSSD-ZDUSSCGKSA-N -1 3 286.356 3.229 20 30 CGEDHM CC(=NNc1nc2ccccc2n1C)c1ccc(F)cc1[O-] ZINC000727778563 571769057 /nfs/dbraw/zinc/76/90/57/571769057.db2.gz MMNHTTOEZBSCER-UHFFFAOYSA-N -1 3 298.321 3.254 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2ccc3c(c2)OCCO3)ccc1[O-] ZINC000728231134 571796875 /nfs/dbraw/zinc/79/68/75/571796875.db2.gz IGVXSLCNOPZQKA-DJWKRKHSSA-N -1 3 296.322 3.368 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@H](C(C)C)C2)c1[O-] ZINC000728785545 571822036 /nfs/dbraw/zinc/82/20/36/571822036.db2.gz KLXIIXIEIFETQJ-IRQUKBNDSA-N -1 3 290.407 3.222 20 30 CGEDHM N#CCOc1cccc(/C=C\C(=O)c2cccc([O-])c2)c1 ZINC000730151279 571951741 /nfs/dbraw/zinc/95/17/41/571951741.db2.gz JHDOGAQDPHRNCF-FPLPWBNLSA-N -1 3 279.295 3.191 20 30 CGEDHM CCOC(=O)Cc1cccc(N=Cc2ccccc2[O-])c1 ZINC000737445313 572343571 /nfs/dbraw/zinc/34/35/71/572343571.db2.gz ZWDFQJXMAAFANR-UHFFFAOYSA-N -1 3 283.327 3.248 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N\C1CCC1 ZINC000730464674 572355504 /nfs/dbraw/zinc/35/55/04/572355504.db2.gz YBLJVXCRXSGGGI-QPEQYQDCSA-N -1 3 254.127 3.126 20 30 CGEDHM Cc1nc2cc(N=Cc3cccc([O-])c3O)ccc2o1 ZINC000730546550 572361835 /nfs/dbraw/zinc/36/18/35/572361835.db2.gz FHLBPXOUFONAIQ-UHFFFAOYSA-N -1 3 268.272 3.298 20 30 CGEDHM C[C@H]1CC(/N=C\c2ccc(O)c([O-])c2O)C[C@@H](C)C1 ZINC000739426504 572414044 /nfs/dbraw/zinc/41/40/44/572414044.db2.gz MTWNFGHKCIFTFF-VCEZCJHXSA-N -1 3 263.337 3.047 20 30 CGEDHM COc1cccc(C[C@@H](C)/N=C\c2ccccc2[O-])c1 ZINC000732926395 572494026 /nfs/dbraw/zinc/49/40/26/572494026.db2.gz OJCCCDGWGROZHI-FDIDITGRSA-N -1 3 269.344 3.451 20 30 CGEDHM CC(N=Nc1nccnc1Cl)c1cc(Cl)ccc1[O-] ZINC000733080589 572507588 /nfs/dbraw/zinc/50/75/88/572507588.db2.gz ROUSEEQHLJZDGG-UHFFFAOYSA-N -1 3 297.145 3.325 20 30 CGEDHM Cn1cccc1C/N=C/c1cc(Br)ccc1[O-] ZINC000743501392 572667384 /nfs/dbraw/zinc/66/73/84/572667384.db2.gz KPJHJVNDDFHMNK-OVCLIPMQSA-N -1 3 293.164 3.112 20 30 CGEDHM C[C@H](/N=C\c1ccccc1[O-])c1cccc(C#N)c1 ZINC000743501537 572667817 /nfs/dbraw/zinc/66/78/17/572667817.db2.gz MCFMHGOMOHKKNP-SJWFJVLYSA-N -1 3 250.301 3.444 20 30 CGEDHM CCOc1ccc(/C=N/C[C@@H](O)CC(C)(C)C)c([O-])c1 ZINC000735228854 572707025 /nfs/dbraw/zinc/70/70/25/572707025.db2.gz JGKHRONSACVVJP-VZWMTCDZSA-N -1 3 279.380 3.007 20 30 CGEDHM CCCC=CC([O-])=C(C#N)c1nc2ccccc2o1 ZINC000735208236 572708862 /nfs/dbraw/zinc/70/88/62/572708862.db2.gz XSFUGRYAOPBHGY-OHYQPGSNSA-N -1 3 254.289 3.360 20 30 CGEDHM C=CCCC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744216477 572725072 /nfs/dbraw/zinc/72/50/72/572725072.db2.gz IBPUSPXMUYMZTA-UHFFFAOYSA-N -1 3 284.315 3.029 20 30 CGEDHM CC(=NN=C(C)c1cc(Cl)ccc1[O-])c1cnccn1 ZINC000745203659 572806293 /nfs/dbraw/zinc/80/62/93/572806293.db2.gz MGVHRQWNPQKSHM-UHFFFAOYSA-N -1 3 288.738 3.069 20 30 CGEDHM CCC(CC)[C@@H](CC/N=C/c1ccc(O)c([O-])c1O)OC ZINC000746522538 572876250 /nfs/dbraw/zinc/87/62/50/572876250.db2.gz NLRYUNDAXNCAJB-NGWPFTMJSA-N -1 3 295.379 3.064 20 30 CGEDHM Cc1ncc(CO)c(C=Nc2cc(Cl)ccc2F)c1[O-] ZINC000747713382 572942928 /nfs/dbraw/zinc/94/29/28/572942928.db2.gz UKONOXGXQBTIJG-UHFFFAOYSA-N -1 3 294.713 3.131 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC[C@@H](C)c2ccccc2)c1[O-] ZINC000749748542 573029341 /nfs/dbraw/zinc/02/93/41/573029341.db2.gz HFCHTSJZPMCPII-LPXFMOJISA-N -1 3 298.386 3.201 20 30 CGEDHM C[C@H](CC/N=C/c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000749748555 573029676 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ZINC001188376028 810479452 /nfs/dbraw/zinc/47/94/52/810479452.db2.gz NJWWLSZZFIOHKZ-UHFFFAOYSA-N -1 3 294.673 3.291 20 30 CGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1ccc(F)nc1 ZINC001188645886 810499270 /nfs/dbraw/zinc/49/92/70/810499270.db2.gz MLTUOTZTBYSJRY-UHFFFAOYSA-N -1 3 281.246 3.091 20 30 CGEDHM C#Cc1ccc(NC(=O)c2c(C)cccc2[O-])cc1F ZINC001188655288 810500007 /nfs/dbraw/zinc/50/00/07/810500007.db2.gz NASPXGYYXGVLIN-UHFFFAOYSA-N -1 3 269.275 3.073 20 30 CGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(C2CC2)cc1 ZINC001194171695 811026109 /nfs/dbraw/zinc/02/61/09/811026109.db2.gz GOFWYESQQRNTLV-UHFFFAOYSA-N -1 3 295.342 3.003 20 30 CGEDHM CCCCCCCCOC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001194735609 811119617 /nfs/dbraw/zinc/11/96/17/811119617.db2.gz UFTNFJQSZJEQQM-UHFFFAOYSA-N -1 3 281.356 3.400 20 30 CGEDHM Cc1ccc(NC(=S)Nc2cccc(C#N)c2)c([O-])c1 ZINC001197709401 811447024 /nfs/dbraw/zinc/44/70/24/811447024.db2.gz WMRZCRKPMLLYPU-UHFFFAOYSA-N -1 3 283.356 3.381 20 30 CGEDHM N#Cc1cccc(NC(=S)Nc2ccc([O-])cc2F)c1 ZINC001197712453 811448763 /nfs/dbraw/zinc/44/87/63/811448763.db2.gz LTOCGIDQGQVFPT-UHFFFAOYSA-N -1 3 287.319 3.212 20 30 CGEDHM N#Cc1cc(C(F)(F)F)ccc1Nc1cncc([O-])c1 ZINC001201641115 811928449 /nfs/dbraw/zinc/92/84/49/811928449.db2.gz JHFNSEMVBZYHLC-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM CC(C)(C)n1ncc(C#N)c1Nc1cc(F)c([O-])cc1F ZINC001215570213 815536772 /nfs/dbraw/zinc/53/67/72/815536772.db2.gz OLCUWKJSVDQGFC-UHFFFAOYSA-N -1 3 292.289 3.237 20 30 CGEDHM COc1cc(SC)c(Nc2cc(C#N)ccc2[O-])cn1 ZINC001215813875 815604267 /nfs/dbraw/zinc/60/42/67/815604267.db2.gz WUSWZPDNIBQTNM-UHFFFAOYSA-N -1 3 287.344 3.133 20 30 CGEDHM C=C(C)C[C@@H](NCc1ccc(Cl)cc1[O-])C(=O)OCC ZINC001207334226 813543480 /nfs/dbraw/zinc/54/34/80/813543480.db2.gz OPVFKXCFBDJVJS-CYBMUJFWSA-N -1 3 297.782 3.033 20 30 CGEDHM COc1cc(C#N)ccc1Nc1ccc(F)c([O-])c1 ZINC001209411266 814017950 /nfs/dbraw/zinc/01/79/50/814017950.db2.gz KRQNFUZCEYSSEK-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM CC(C)(C)c1noc(Nc2ccc(F)cc2[O-])c1C#N ZINC001210015921 814245356 /nfs/dbraw/zinc/24/53/56/814245356.db2.gz CNOBDJNGLUINRR-UHFFFAOYSA-N -1 3 275.283 3.432 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cccnc2C(F)(F)F)c1 ZINC001210234574 814358094 /nfs/dbraw/zinc/35/80/94/814358094.db2.gz SHIBUFDWZJELOA-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM N#Cc1cc(Nc2cccc(F)c2C#N)ccc1[O-] ZINC001210529151 814510708 /nfs/dbraw/zinc/51/07/08/814510708.db2.gz AALQUVXOPPSSIB-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccccc2-n2cccn2)c1 ZINC001210734407 814602281 /nfs/dbraw/zinc/60/22/81/814602281.db2.gz SJNMDTRVTCCHRM-UHFFFAOYSA-N -1 3 276.299 3.193 20 30 CGEDHM N#Cc1cc(-c2cc([O-])cc(C(F)(F)F)c2)cnc1F ZINC001242784361 823131973 /nfs/dbraw/zinc/13/19/73/823131973.db2.gz UNOIKAQLEYMTNB-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM COc1c(F)ccc(Nc2cc(C#N)ccc2[O-])c1OC ZINC001216394201 815810581 /nfs/dbraw/zinc/81/05/81/815810581.db2.gz NODZBHRZGLZXIN-UHFFFAOYSA-N -1 3 288.278 3.164 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc(Cl)cc(CO)c2)c1 ZINC001216437862 815828979 /nfs/dbraw/zinc/82/89/79/815828979.db2.gz RUIYRAWQPLPRPC-UHFFFAOYSA-N -1 3 274.707 3.153 20 30 CGEDHM N#Cc1cc(-c2cc([O-])cc(OC(F)(F)F)c2)ccn1 ZINC001242987553 823199277 /nfs/dbraw/zinc/19/92/77/823199277.db2.gz HAELXZDRZMEKBA-UHFFFAOYSA-N -1 3 280.205 3.224 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](CC#N)c2ccccc2)[n-]1 ZINC001225469586 817063868 /nfs/dbraw/zinc/06/38/68/817063868.db2.gz METJSYGVTXQDSJ-OAHLLOKOSA-N -1 3 279.299 3.001 20 30 CGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=S)ncc2C)O1 ZINC001225742580 817164211 /nfs/dbraw/zinc/16/42/11/817164211.db2.gz MNQPSHLEDPFQON-NHYWBVRUSA-N -1 3 294.420 3.355 20 30 CGEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc[n-]c(=O)c2C)C1 ZINC001226072097 817264649 /nfs/dbraw/zinc/26/46/49/817264649.db2.gz YFKSXUPYHKXQQW-OLZOCXBDSA-N -1 3 260.337 3.170 20 30 CGEDHM CC1(C)C(=O)CCC[C@@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226114278 817277091 /nfs/dbraw/zinc/27/70/91/817277091.db2.gz IMEBPLHINBAHKI-KNGSKEOJSA-N -1 3 261.321 3.021 20 30 CGEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]c(=O)ncc1C(C)=O ZINC001226237581 817305699 /nfs/dbraw/zinc/30/56/99/817305699.db2.gz KNJXEOPTSYRGTI-OSMZGAPFSA-N -1 3 290.363 3.145 20 30 CGEDHM C=C[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380427 817340489 /nfs/dbraw/zinc/34/04/89/817340489.db2.gz UPTUOEQKSFCXGH-JTQLQIEISA-N -1 3 294.306 3.121 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481065 817371771 /nfs/dbraw/zinc/37/17/71/817371771.db2.gz BVMRASCAIDJXME-LBPRGKRZSA-N -1 3 288.343 3.283 20 30 CGEDHM C#CC[C@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227587672 817677660 /nfs/dbraw/zinc/67/76/60/817677660.db2.gz LCWHBZHHOMGHIF-ZETCQYMHSA-N -1 3 273.101 3.084 20 30 CGEDHM C#C[C@H](Oc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227980026 817771582 /nfs/dbraw/zinc/77/15/82/817771582.db2.gz JZPRTBUDGJVKNH-ZDUSSCGKSA-N -1 3 259.692 3.194 20 30 CGEDHM C=C[C@H](CCCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689359 817973626 /nfs/dbraw/zinc/97/36/26/817973626.db2.gz SHZFDGXLKUTBEU-SNVBAGLBSA-N -1 3 266.297 3.127 20 30 CGEDHM C[C@]1(C#N)CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231526715 818121015 /nfs/dbraw/zinc/12/10/15/818121015.db2.gz SYRFYZIQGGEFKM-CYBMUJFWSA-N -1 3 284.281 3.147 20 30 CGEDHM N#C[C@@H]1CCCN1Cc1ccc2ccccc2c1[O-] ZINC001231878348 818197993 /nfs/dbraw/zinc/19/79/93/818197993.db2.gz JUJZPHPJFIUNOZ-AWEZNQCLSA-N -1 3 252.317 3.033 20 30 CGEDHM N#Cc1cc([O-])cc(OC(C(F)(F)F)C(F)(F)F)c1 ZINC001234139628 818789189 /nfs/dbraw/zinc/78/91/89/818789189.db2.gz INUGOIVEDFFFQL-UHFFFAOYSA-N -1 3 285.143 3.136 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@H](C#N)c2cccc(F)c2)c1 ZINC001234144554 818790398 /nfs/dbraw/zinc/79/03/98/818790398.db2.gz PZWRQKCAXGESBS-OAHLLOKOSA-N -1 3 268.247 3.047 20 30 CGEDHM C=C[C@@H](CCCCCC)Oc1cccc([O-])c1C(N)=O ZINC001234148239 818792373 /nfs/dbraw/zinc/79/23/73/818792373.db2.gz FQHIHCNACFEWEQ-LBPRGKRZSA-N -1 3 277.364 3.395 20 30 CGEDHM C#C[C@@H]1CCC[C@H]1Oc1c([O-])cc(Cl)cc1F ZINC001234446966 818858355 /nfs/dbraw/zinc/85/83/55/818858355.db2.gz HUTJNCDUUGXMLU-PRHODGIISA-N -1 3 254.688 3.365 20 30 CGEDHM C=CC(C=C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791713 818924778 /nfs/dbraw/zinc/92/47/78/818924778.db2.gz QTAQYLYMVZDTJX-UHFFFAOYSA-N -1 3 262.305 3.031 20 30 CGEDHM CC(=O)n1ncc2ccc(-c3cccc(/C=N/[O-])c3)cc21 ZINC001243480575 823416868 /nfs/dbraw/zinc/41/68/68/823416868.db2.gz OJYURNATWGFYBB-GIJQJNRQSA-N -1 3 279.299 3.172 20 30 CGEDHM C#C[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237948245 819892260 /nfs/dbraw/zinc/89/22/60/819892260.db2.gz BOEOMMGOHINLPU-SNVBAGLBSA-N -1 3 267.731 3.030 20 30 CGEDHM N#Cc1ncnc2ccc(-c3cccc([O-])c3F)cc12 ZINC001243547390 823439769 /nfs/dbraw/zinc/43/97/69/823439769.db2.gz QUTHXEBFENXHTL-UHFFFAOYSA-N -1 3 265.247 3.013 20 30 CGEDHM COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(OC)c1 ZINC001239624204 820470442 /nfs/dbraw/zinc/47/04/42/820470442.db2.gz MWPCHPGXMVSQMI-VLGSPTGOSA-N -1 3 283.327 3.495 20 30 CGEDHM CNc1ncc2cc(-c3ccc(/C=N/[O-])c(F)c3)ccc2n1 ZINC001240602118 821181268 /nfs/dbraw/zinc/18/12/68/821181268.db2.gz PNDAWVAQEOWIBE-AWQFTUOYSA-N -1 3 296.305 3.286 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2ccccc2[S@](C)=O)cc1 ZINC001241343310 821747753 /nfs/dbraw/zinc/74/77/53/821747753.db2.gz DHQPYRWMTFLMAP-SKTWIKFTSA-N -1 3 273.357 3.289 20 30 CGEDHM Cn1cc2cccc(-c3ccc(/C=N/[O-])c(F)c3)c2n1 ZINC001241470647 821868236 /nfs/dbraw/zinc/86/82/36/821868236.db2.gz JBOHKCXLYLEGIB-CAOOACKPSA-N -1 3 269.279 3.188 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2cccc3c[nH]nc32)c1 ZINC001241623701 822001354 /nfs/dbraw/zinc/00/13/54/822001354.db2.gz KCZQHZLENCRKST-REZTVBANSA-N -1 3 255.252 3.177 20 30 CGEDHM CCOC(=N)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565769 823036118 /nfs/dbraw/zinc/03/61/18/823036118.db2.gz SBXZLVRYAODHRR-UHFFFAOYSA-N -1 3 266.300 3.293 20 30 CGEDHM COC1(CC(=O)N([O-])CCCCc2ccccc2)CCC1 ZINC001472619248 937099950 /nfs/dbraw/zinc/09/99/50/937099950.db2.gz CXNIVSPQHMFGBP-UHFFFAOYSA-N -1 3 291.391 3.186 20 30 CGEDHM C#Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1 ZINC001356046464 937151642 /nfs/dbraw/zinc/15/16/42/937151642.db2.gz SANWWMGEOHCYKX-UHFFFAOYSA-N -1 3 299.761 3.306 20 30 CGEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC001451389962 937390238 /nfs/dbraw/zinc/39/02/38/937390238.db2.gz PBYIJHRVPDQTIG-UHFFFAOYSA-N -1 3 280.327 3.441 20 30 CGEDHM CC(C)OCCCC(=O)N([O-])CCCCc1ccccc1 ZINC001458007261 937448640 /nfs/dbraw/zinc/44/86/40/937448640.db2.gz HOKYQMLLVMWCLD-UHFFFAOYSA-N -1 3 293.407 3.432 20 30 CGEDHM C[C@@]1(C(=O)N([O-])CCCCc2ccccc2)CCCOC1 ZINC001458009797 937448756 /nfs/dbraw/zinc/44/87/56/937448756.db2.gz RKARUSJQAICCSK-QGZVFWFLSA-N -1 3 291.391 3.044 20 30 CGEDHM C=C(C)C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=C)C ZINC001231076232 932672985 /nfs/dbraw/zinc/67/29/85/932672985.db2.gz JKXIYTQZCFSRIL-AWEZNQCLSA-N -1 3 270.336 3.156 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC001306897733 932892881 /nfs/dbraw/zinc/89/28/81/932892881.db2.gz ZRESUDUXLHVCGT-NSHDSACASA-N -1 3 285.771 3.434 20 30 CGEDHM C=C[C@@H](C)ONC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001469733500 937742957 /nfs/dbraw/zinc/74/29/57/937742957.db2.gz SZOJTGBCWFBFFU-GFCCVEGCSA-N -1 3 299.326 3.420 20 30 CGEDHM CCCCCCN([O-])C(=O)CO[C@H]1CCCC[C@@H]1C ZINC001472621541 937778625 /nfs/dbraw/zinc/77/86/25/937778625.db2.gz YREBKMGWOLPIFU-KBPBESRZSA-N -1 3 271.401 3.380 20 30 CGEDHM CC(C)[C@@H](F)C(=O)N([O-])CCCCc1ccccc1 ZINC001472619720 937778683 /nfs/dbraw/zinc/77/86/83/937778683.db2.gz UDRLNIZOODKVBI-CQSZACIVSA-N -1 3 267.344 3.221 20 30 CGEDHM C=CCn1c(SC[C@H]2CCCC[C@@H]2C)n[n-]c1=O ZINC001473004781 937790319 /nfs/dbraw/zinc/79/03/19/937790319.db2.gz HEWJGSQHTOOVIU-WDEREUQCSA-N -1 3 267.398 3.088 20 30 CGEDHM C=CCC[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001336219390 936181607 /nfs/dbraw/zinc/18/16/07/936181607.db2.gz VNPHXSLAUCRTCU-CYBMUJFWSA-N -1 3 277.339 3.031 20 30 CGEDHM C=C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC001545635260 938150246 /nfs/dbraw/zinc/15/02/46/938150246.db2.gz ZZGRNMHNATWTMF-AWEZNQCLSA-N 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282.706 3.004 20 30 CGEDHM C=C(C)CCOc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001588424508 963268231 /nfs/dbraw/zinc/26/82/31/963268231.db2.gz LELRYYRMOKSVEI-UHFFFAOYSA-N -1 3 282.706 3.004 20 30 CGEDHM C=CCC(C)(C)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001588539383 963284140 /nfs/dbraw/zinc/28/41/40/963284140.db2.gz JBNOOCFXOYVAIA-UHFFFAOYSA-N -1 3 275.331 3.020 20 30 CGEDHM C=CCC(C)(C)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001588539383 963284152 /nfs/dbraw/zinc/28/41/52/963284152.db2.gz JBNOOCFXOYVAIA-UHFFFAOYSA-N -1 3 275.331 3.020 20 30 CGEDHM C=CCCCC[C@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588593872 963286153 /nfs/dbraw/zinc/28/61/53/963286153.db2.gz JQGADJCANRXWHR-LBPRGKRZSA-N -1 3 271.368 3.414 20 30 CGEDHM C=CCCCC[C@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588593872 963286159 /nfs/dbraw/zinc/28/61/59/963286159.db2.gz JQGADJCANRXWHR-LBPRGKRZSA-N -1 3 271.368 3.414 20 30 CGEDHM C=C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000312507251 963570614 /nfs/dbraw/zinc/57/06/14/963570614.db2.gz ARSPLWCBTWEPHK-HNNXBMFYSA-N -1 3 267.328 3.005 20 30 CGEDHM CCc1nnc(Sc2ccccc2[O-])c(C#N)c1CC ZINC000125535847 346017230 /nfs/dbraw/zinc/01/72/30/346017230.db2.gz JWAZNIYGOLGDNU-UHFFFAOYSA-N -1 3 285.372 3.330 20 30 CGEDHM N#Cc1ccccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000172161250 346215918 /nfs/dbraw/zinc/21/59/18/346215918.db2.gz YOYNUBUFKFGSCU-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#CCCN(Cc1cc([O-])ccc1Cl)CC1CC1 ZINC000599306691 347734500 /nfs/dbraw/zinc/73/45/00/347734500.db2.gz ATPLGTGGZIGSAQ-UHFFFAOYSA-N -1 3 264.756 3.171 20 30 CGEDHM N#CC1(C(=O)Nc2ccc(Cl)cc2[O-])CC2(CC2)C1 ZINC000601378745 347893422 /nfs/dbraw/zinc/89/34/22/347893422.db2.gz WZJYRMSEIBGOIZ-UHFFFAOYSA-N -1 3 276.723 3.068 20 30 CGEDHM Cc1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1[O-] ZINC000611487881 348455813 /nfs/dbraw/zinc/45/58/13/348455813.db2.gz KJIMCBHJIKYKIH-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 ZINC000537644555 376190277 /nfs/dbraw/zinc/19/02/77/376190277.db2.gz NZAAQCRDIYIPRT-HNNXBMFYSA-N -1 3 298.317 3.088 20 30 CGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccsc1 ZINC000122866600 370907468 /nfs/dbraw/zinc/90/74/68/370907468.db2.gz OAZHTLPNASVQOT-LLVKDONJSA-N -1 3 281.340 3.125 20 30 CGEDHM C=CCCN(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000276477898 193347640 /nfs/dbraw/zinc/34/76/40/193347640.db2.gz LCGCPVCWCAZIGS-UHFFFAOYSA-N -1 3 284.359 3.205 20 30 CGEDHM CCSc1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000070032716 369776455 /nfs/dbraw/zinc/77/64/55/369776455.db2.gz HRTHCCDFOQSKEO-LBPRGKRZSA-N -1 3 283.356 3.079 20 30 CGEDHM C#CCC(CC#C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000287259037 371629761 /nfs/dbraw/zinc/62/97/61/371629761.db2.gz PXTRSVFVHKAELR-UHFFFAOYSA-N -1 3 295.260 3.012 20 30 CGEDHM C=CC[C@H](C(=O)N=c1[nH][n-]c(CC)c1C)c1ccccc1 ZINC000429094424 372313462 /nfs/dbraw/zinc/31/34/62/372313462.db2.gz DPCCVTGNMQSDPO-AWEZNQCLSA-N -1 3 283.375 3.001 20 30 CGEDHM C=CCC(C)(C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000293758185 372471548 /nfs/dbraw/zinc/47/15/48/372471548.db2.gz 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/nfs/dbraw/zinc/68/75/41/376687541.db2.gz LNOUAVVAXDXYKJ-NSHDSACASA-N -1 3 265.382 3.151 20 30 CGEDHM N#CC(=C([O-])c1cccc(C2CCC2)c1)c1ccncn1 ZINC000545265696 376804837 /nfs/dbraw/zinc/80/48/37/376804837.db2.gz DRYFPZRWLRJESO-OAHLLOKOSA-N -1 3 277.327 3.234 20 30 CGEDHM CCc1c([N-]C(=O)[C@](C)(C#N)CC)onc1C(F)(F)F ZINC000578450774 378071795 /nfs/dbraw/zinc/07/17/95/378071795.db2.gz KYAHEWDEIGTBOJ-NSHDSACASA-N -1 3 289.257 3.134 20 30 CGEDHM Cc1cc(Br)cc(CN(C)C[C@H](C)C#N)c1[O-] ZINC000271737462 378502788 /nfs/dbraw/zinc/50/27/88/378502788.db2.gz PAXNLBMZDSENHC-SECBINFHSA-N -1 3 297.196 3.055 20 30 CGEDHM C=CC[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000277154415 379083551 /nfs/dbraw/zinc/08/35/51/379083551.db2.gz CTZLNEJGQKLFSF-LLVKDONJSA-N -1 3 274.147 3.112 20 30 CGEDHM N#CC1(CC[S@@](=O)c2cccc([O-])c2)CCCCC1 ZINC000414242091 380204148 /nfs/dbraw/zinc/20/41/48/380204148.db2.gz HDEMIWCEFIYVCZ-LJQANCHMSA-N -1 3 277.389 3.364 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000354162352 380350053 /nfs/dbraw/zinc/35/00/53/380350053.db2.gz JYNVCWLQMBFXDH-UHFFFAOYSA-N -1 3 294.354 3.098 20 30 CGEDHM C=CCCCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000236477715 542315155 /nfs/dbraw/zinc/31/51/55/542315155.db2.gz BHXCJVYKLSBWPB-UHFFFAOYSA-N -1 3 259.349 3.447 20 30 CGEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436677902 533057232 /nfs/dbraw/zinc/05/72/32/533057232.db2.gz ZAQXYHOAUNLXSU-UHFFFAOYSA-N -1 3 295.342 3.175 20 30 CGEDHM Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c([O-])c1C ZINC000436569125 533606914 /nfs/dbraw/zinc/60/69/14/533606914.db2.gz ACNLGQJMINXABD-UHFFFAOYSA-N -1 3 284.290 3.272 20 30 CGEDHM N#CCC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000335735280 392812379 /nfs/dbraw/zinc/81/23/79/392812379.db2.gz UEEUNCWHVPNOAQ-UHFFFAOYSA-N -1 3 294.354 3.311 20 30 CGEDHM C=CCOc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000041481430 397611646 /nfs/dbraw/zinc/61/16/46/397611646.db2.gz CFQNBDFLUHZQMX-CQSZACIVSA-N -1 3 278.311 3.136 20 30 CGEDHM Cc1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)no1 ZINC000091208115 165259850 /nfs/dbraw/zinc/25/98/50/165259850.db2.gz MTSVEVWDSFQOBP-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM C=CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000656760663 419211433 /nfs/dbraw/zinc/21/14/33/419211433.db2.gz XEHCDBQVYPPDEI-GFCCVEGCSA-N -1 3 277.339 3.312 20 30 CGEDHM C=CC[C@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000656759304 419211480 /nfs/dbraw/zinc/21/14/80/419211480.db2.gz BQARPCKRSUFIGH-RYUDHWBXSA-N -1 3 263.337 3.327 20 30 CGEDHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCOCC1 ZINC000330230380 228073457 /nfs/dbraw/zinc/07/34/57/228073457.db2.gz QNLXQONUCXYAAZ-SECBINFHSA-N -1 3 269.728 3.450 20 30 CGEDHM O=C(CC1CCCCC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026255171 260131412 /nfs/dbraw/zinc/13/14/12/260131412.db2.gz NOUQCLYVBPOYSV-UHFFFAOYSA-N -1 3 276.262 3.382 20 30 CGEDHM O=C(CC1CCCCC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026255171 260131414 /nfs/dbraw/zinc/13/14/14/260131414.db2.gz NOUQCLYVBPOYSV-UHFFFAOYSA-N -1 3 276.262 3.382 20 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3.217 20 30 CGEDHM CC(C)CCC[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000330992118 328471462 /nfs/dbraw/zinc/47/14/62/328471462.db2.gz SITMPQPAXYKOGX-VIFPVBQESA-N -1 3 256.371 3.368 20 30 CGEDHM C=CCCCN(C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000575323079 335093642 /nfs/dbraw/zinc/09/36/42/335093642.db2.gz CZBPKERZWOBSIT-NSHDSACASA-N -1 3 251.326 3.245 20 30 CGEDHM C=CCCCN(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459370550 331278720 /nfs/dbraw/zinc/27/87/20/331278720.db2.gz ITHWGJMMCHQFHI-UHFFFAOYSA-N -1 3 283.375 3.247 20 30 CGEDHM C=C(C)CN(C)Cc1cccc([O-])c1Br ZINC000459465920 331282989 /nfs/dbraw/zinc/28/29/89/331282989.db2.gz QKFBFGFEHNFYFX-UHFFFAOYSA-N -1 3 270.170 3.163 20 30 CGEDHM Cc1ccc2c(CN[C@H]3CCC[C@H]3C#N)ccc([O-])c2n1 ZINC000459489249 331284778 /nfs/dbraw/zinc/28/47/78/331284778.db2.gz XMLPGMRQLVHECW-WFASDCNBSA-N -1 3 281.359 3.031 20 30 CGEDHM Cc1ccc2nc(C([O-])=C(C#N)c3ccccn3)ccc2c1 ZINC000344742866 534490720 /nfs/dbraw/zinc/49/07/20/534490720.db2.gz PAVYXKJZUUKFSP-AWEZNQCLSA-N -1 3 287.322 3.428 20 30 CGEDHM CCNc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000436751906 528428064 /nfs/dbraw/zinc/42/80/64/528428064.db2.gz OJSNWLWYESHFKI-UHFFFAOYSA-N -1 3 295.342 3.256 20 30 CGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]3CCC[C@@H]32)c1 ZINC000330299947 528746961 /nfs/dbraw/zinc/74/69/61/528746961.db2.gz IGGXNIVINLOMPN-FZMZJTMJSA-N -1 3 288.347 3.015 20 30 CGEDHM CCOc1ccccc1CC/N=C\c1c([O-])cccc1OC ZINC000727653249 571761008 /nfs/dbraw/zinc/76/10/08/571761008.db2.gz IRBCQSRPLKPTNL-UYRXBGFRSA-N -1 3 299.370 3.461 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\C2CC(c3ccccc3)C2)c1O ZINC000728226495 571796229 /nfs/dbraw/zinc/79/62/29/571796229.db2.gz QSNPQVCFZKBODK-ZDLGFXPLSA-N -1 3 283.327 3.169 20 30 CGEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1O ZINC000728232803 571797292 /nfs/dbraw/zinc/79/72/92/571797292.db2.gz WWMWYHSWHIBGPB-UTCJRWHESA-N -1 3 284.311 3.311 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cccnc2C)ccc1[O-] ZINC000728787811 571822590 /nfs/dbraw/zinc/82/25/90/571822590.db2.gz SHVSBTNNFIBUJB-YVMONPNESA-N -1 3 253.301 3.300 20 30 CGEDHM CC(=NNCCCc1ccccc1)c1ccc([O-])c(F)c1 ZINC000729144949 571877937 /nfs/dbraw/zinc/87/79/37/571877937.db2.gz CFKMFJRIKLPDRN-UHFFFAOYSA-N -1 3 286.350 3.478 20 30 CGEDHM CCOc1ccc(/C=N\Cc2ncccc2C)c([O-])c1 ZINC000729641680 571926342 /nfs/dbraw/zinc/92/63/42/571926342.db2.gz SJDIHQMVWJUNQU-YVLHZVERSA-N -1 3 270.332 3.113 20 30 CGEDHM CC(=NOCc1ccccc1)c1ccc([O-])cc1F ZINC000729932152 571937450 /nfs/dbraw/zinc/93/74/50/571937450.db2.gz FEVMTEZVLGKZRS-UHFFFAOYSA-N -1 3 259.280 3.472 20 30 CGEDHM [O-]c1ccccc1/C=N\C[C@H](O)c1c(F)cccc1Cl ZINC000741165003 572487020 /nfs/dbraw/zinc/48/70/20/572487020.db2.gz DCHHBNHLCSSDAZ-RQRKTLAASA-N -1 3 293.725 3.337 20 30 CGEDHM C[C@]1(C/N=C/c2c([O-])ccc3ccccc32)CCOC1 ZINC000733080941 572507040 /nfs/dbraw/zinc/50/70/40/572507040.db2.gz HEIPRYNQXRURJV-HJSBDDGSSA-N -1 3 269.344 3.391 20 30 CGEDHM CCOc1ccc(/C=N\[C@@H]2C[C@](C)(OC)C2(C)C)c([O-])c1 ZINC000745976960 572845954 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606860233 /nfs/dbraw/zinc/86/02/33/606860233.db2.gz RGDXPKIVGOTIKF-FMIVXFBMSA-N -1 3 282.347 3.029 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826281227 607882794 /nfs/dbraw/zinc/88/27/94/607882794.db2.gz JTNJPLUXZORQNC-ZHACJKMWSA-N -1 3 290.326 3.071 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826281227 607882795 /nfs/dbraw/zinc/88/27/95/607882795.db2.gz JTNJPLUXZORQNC-ZHACJKMWSA-N -1 3 290.326 3.071 20 30 CGEDHM C=CCCCSCc1ccc(-c2nnn[n-]2)cc1OC ZINC000823898826 608321110 /nfs/dbraw/zinc/32/11/10/608321110.db2.gz CTTDKDDILTZXHS-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C=CCCCSCc1ccc(-c2nn[n-]n2)cc1OC ZINC000823898826 608321112 /nfs/dbraw/zinc/32/11/12/608321112.db2.gz CTTDKDDILTZXHS-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C[C@@H]1CCC[C@H](CN=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928799 608533674 /nfs/dbraw/zinc/53/36/74/608533674.db2.gz UNCJKEPCWWVIPP-NEPJUHHUSA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@@H]1CCC[C@H](CN=Nc2cccc(-c3nn[n-]n3)c2)C1 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CC(C)(C)c1ccc(C(F)(F)C(=O)[N-]C2(C#N)CC2)cc1 ZINC000889656513 620334464 /nfs/dbraw/zinc/33/44/64/620334464.db2.gz CCOJJCHSBRECGT-UHFFFAOYSA-N -1 3 292.329 3.248 20 30 CGEDHM COc1cc(C)sc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372425 620860552 /nfs/dbraw/zinc/86/05/52/620860552.db2.gz YWCGFLGABXVGJB-UHFFFAOYSA-N -1 3 295.335 3.236 20 30 CGEDHM CCOCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369507 620865636 /nfs/dbraw/zinc/86/56/36/620865636.db2.gz DIPIASNPXRYMCO-UHFFFAOYSA-N -1 3 287.359 3.374 20 30 CGEDHM C[C@]1(C(=O)N([O-])Cc2cccc3ccccc32)CCCOC1 ZINC000901370837 620865752 /nfs/dbraw/zinc/86/57/52/620865752.db2.gz IBKIXQDJMQIVMS-SFHVURJKSA-N -1 3 299.370 3.374 20 30 CGEDHM O=C(c1nccc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901376077 620868747 /nfs/dbraw/zinc/86/87/47/620868747.db2.gz OSVINBGALLVABG-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccncc1 ZINC000904175485 621884957 /nfs/dbraw/zinc/88/49/57/621884957.db2.gz SEPBRXURDFOXBQ-GFCCVEGCSA-N -1 3 288.322 3.132 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CGEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)CCO3)ccc1[O-] ZINC000054802352 622798840 /nfs/dbraw/zinc/79/88/40/622798840.db2.gz SZIWSVGPPNTVDX-GORDUTHDSA-N -1 3 296.322 3.232 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ncccc1F ZINC000751517890 626393902 /nfs/dbraw/zinc/39/39/02/626393902.db2.gz QHAZSYNBIJLCQH-APSNUPSMSA-N -1 3 264.687 3.199 20 30 CGEDHM [O-]c1ccc(C=NNc2cc(F)cc(F)c2)cc1F ZINC000755662191 626634811 /nfs/dbraw/zinc/63/48/11/626634811.db2.gz YQJGUXGPAPQYRF-UHFFFAOYSA-N -1 3 266.222 3.256 20 30 CGEDHM CCC(CC)(CC)C/N=C\c1c([O-])c(C)ncc1CO ZINC000759115477 626875034 /nfs/dbraw/zinc/87/50/34/626875034.db2.gz BVXSZEMVVFZBLY-MFOYZWKCSA-N -1 3 278.396 3.223 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2ccc3c(c2)ncn3C)ccc1[O-] ZINC000761201654 627024876 /nfs/dbraw/zinc/02/48/76/627024876.db2.gz WUPYJUMTDHSZMS-QPJJXVBHSA-N -1 3 292.338 3.483 20 30 CGEDHM N#Cc1c(F)ccc(C=Cc2nccc(=O)[n-]2)c1Cl ZINC000761478394 627044718 /nfs/dbraw/zinc/04/47/18/627044718.db2.gz FOFDJCJXIIJWFO-RQOWECAXSA-N -1 3 275.670 3.017 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(F)cn1 ZINC000763098469 627140493 /nfs/dbraw/zinc/14/04/93/627140493.db2.gz XLXMQQHYCRVMRB-SOFYXZRVSA-N -1 3 264.687 3.199 20 30 CGEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc([O-])c1F ZINC000768337539 627474043 /nfs/dbraw/zinc/47/40/43/627474043.db2.gz NVPFVNOKYQTQRB-CYBMUJFWSA-N -1 3 296.342 3.441 20 30 CGEDHM CC(=NNc1ccncc1)c1ccc2ccccc2c1[O-] ZINC000779808517 628433453 /nfs/dbraw/zinc/43/34/53/628433453.db2.gz KYZROBUQSZGOGF-UHFFFAOYSA-N -1 3 277.327 3.198 20 30 CGEDHM N#C[C@H](OC(=O)c1cc2occc2[n-]1)C1CCCCC1 ZINC000786034478 628909589 /nfs/dbraw/zinc/90/95/89/628909589.db2.gz UDRXZFKUIYIGFL-AWEZNQCLSA-N -1 3 272.304 3.390 20 30 CGEDHM CCOC(CC/N=C/c1cc(Cl)ccc1[O-])OCC ZINC000787139810 628993001 /nfs/dbraw/zinc/99/30/01/628993001.db2.gz BYRLQZPRVVADRV-MHWRWJLKSA-N -1 3 285.771 3.254 20 30 CGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(C3CC3)cc2)c1[O-] ZINC000790100635 629184024 /nfs/dbraw/zinc/18/40/24/629184024.db2.gz XHDXXOGJOVDSNV-VXLYETTFSA-N -1 3 296.370 3.084 20 30 CGEDHM CC[C@@H](C)NN=C(C)c1ccc(Br)cc1[O-] ZINC000790184152 629188151 /nfs/dbraw/zinc/18/81/51/629188151.db2.gz YJBYRGWCQUBBKG-MRVPVSSYSA-N -1 3 285.185 3.267 20 30 CGEDHM O=[N+]([O-])c1c(F)cccc1N=NCc1cccc(F)c1[O-] ZINC000790311059 629203598 /nfs/dbraw/zinc/20/35/98/629203598.db2.gz VZHXTGDEHFLARA-UHFFFAOYSA-N -1 3 293.229 3.025 20 30 CGEDHM C[C@@H]1OCC(N=Nc2nc3ccccc3[n-]c2=S)[C@@H]1C ZINC000863125323 629480654 /nfs/dbraw/zinc/48/06/54/629480654.db2.gz STVDVRLQTGXEQN-BDAKNGLRSA-N -1 3 288.376 3.115 20 30 CGEDHM C[C@@H]1C[C@H]1CN=Nc1nc2ccccc2[n-]c1=S ZINC000863128216 629481695 /nfs/dbraw/zinc/48/16/95/629481695.db2.gz IBLNMQHHRMGVBZ-BDAKNGLRSA-N -1 3 258.350 3.346 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2c3c(nn2C)CCCC3)ccc1[O-] ZINC000865218907 630027904 /nfs/dbraw/zinc/02/79/04/630027904.db2.gz UBBFLFZETYYLDM-CSKARUKUSA-N -1 3 296.370 3.209 20 30 CGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(C)(C)C ZINC000807881678 630603134 /nfs/dbraw/zinc/60/31/34/630603134.db2.gz PEQADMURTBHLKA-LBPRGKRZSA-N -1 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267.756 3.422 20 30 CGEDHM C#C[C@@](C)(CC)NC(=O)c1cc2sccc2c([O-])c1 ZINC000854702547 638094197 /nfs/dbraw/zinc/09/41/97/638094197.db2.gz SMUXHTUUJNCXGX-HNNXBMFYSA-N -1 3 273.357 3.139 20 30 CGEDHM C=CCCO[N-]C(=O)CCCOc1ccc(C)cc1Cl ZINC000856032081 638287529 /nfs/dbraw/zinc/28/75/29/638287529.db2.gz GANZCOYBUJLNIJ-UHFFFAOYSA-N -1 3 297.782 3.431 20 30 CGEDHM CCCCOCC/N=C/c1cc(Cl)ccc1[O-] ZINC000194853909 640556739 /nfs/dbraw/zinc/55/67/39/640556739.db2.gz RXBFRKWMDORZQC-XNTDXEJSSA-N -1 3 255.745 3.281 20 30 CGEDHM CC(=NNCc1ccc(F)cc1)c1ccc([O-])c(F)c1 ZINC001253071097 806159071 /nfs/dbraw/zinc/15/90/71/806159071.db2.gz JVXXNYBKTKNEHW-UHFFFAOYSA-N -1 3 276.286 3.184 20 30 CGEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)cc(C)n1 ZINC001161808038 806458676 /nfs/dbraw/zinc/45/86/76/806458676.db2.gz UUKBFKLCTSQHCO-UHFFFAOYSA-N -1 3 290.750 3.383 20 30 CGEDHM CO[C@@H]1CCC[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001161842923 806469890 /nfs/dbraw/zinc/46/98/90/806469890.db2.gz UKUHYNGAQJDZQY-DLBZAZTESA-N -1 3 299.370 3.373 20 30 CGEDHM [O-]/N=C/c1cccc(NCc2nc3ccccc3o2)c1 ZINC001161972228 806494780 /nfs/dbraw/zinc/49/47/80/806494780.db2.gz RKKFZJCZODHGQQ-RQZCQDPDSA-N -1 3 267.288 3.248 20 30 CGEDHM COc1cc(C)c(N=Cc2ccc(O)c([O-])c2O)cc1F ZINC000588507022 799703802 /nfs/dbraw/zinc/70/38/02/799703802.db2.gz VGXNFQGQZXGFBX-UHFFFAOYSA-N -1 3 291.278 3.010 20 30 CGEDHM C=CCS(=O)(=O)[N-]c1ccccc1SC(F)(F)F ZINC000711045427 800046379 /nfs/dbraw/zinc/04/63/79/800046379.db2.gz IICNINZWAXPKFO-UHFFFAOYSA-N -1 3 297.323 3.226 20 30 CGEDHM COc1cc(C=NNCc2ccccc2)cc(Cl)c1[O-] ZINC000714445072 800123244 /nfs/dbraw/zinc/12/32/44/800123244.db2.gz YTTYQFCTWGRDGY-UHFFFAOYSA-N -1 3 290.750 3.178 20 30 CGEDHM C[C@@H]1Cc2cc(-c3ccc([O-])c(C#N)c3)ccc2O1 ZINC000720093523 800252416 /nfs/dbraw/zinc/25/24/16/800252416.db2.gz JZNFMXQKVBDNEQ-SNVBAGLBSA-N -1 3 251.285 3.254 20 30 CGEDHM C=CCCC[C@@H](NCc1cc(C(=O)[O-])n[nH]1)c1ccccc1 ZINC001119603150 802682012 /nfs/dbraw/zinc/68/20/12/802682012.db2.gz ISUFLDHGIFQART-OAHLLOKOSA-N 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ZINC001458020211 937448795 /nfs/dbraw/zinc/44/87/95/937448795.db2.gz CMTPZRHVCUTCNW-LBPRGKRZSA-N -1 3 265.378 3.284 20 30 CGEDHM [O-]c1ccccc1/N=C/c1ccccc1OC[C@H]1CCO1 ZINC001229933045 932505725 /nfs/dbraw/zinc/50/57/25/932505725.db2.gz MEGXETRZAYSERW-XWAFYUISSA-N -1 3 283.327 3.311 20 30 CGEDHM C=C(Cl)CNC(=O)c1ccc(OCCCC)cc1[O-] ZINC001306607452 932881901 /nfs/dbraw/zinc/88/19/01/932881901.db2.gz PJZCYWQCRGCQBE-UHFFFAOYSA-N -1 3 283.755 3.053 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@]12CCO[C@H]1CCCC2 ZINC001306896821 932891766 /nfs/dbraw/zinc/89/17/66/932891766.db2.gz NFGVHYSKVPZMIC-ZFWWWQNUSA-N -1 3 269.385 3.134 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001306897167 932891836 /nfs/dbraw/zinc/89/18/36/932891836.db2.gz BSOBTXURULQEHW-JTQLQIEISA-N -1 3 255.745 3.461 20 30 CGEDHM C#Cc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC001308974880 933217468 /nfs/dbraw/zinc/21/74/68/933217468.db2.gz VNVVIWZORXNDCC-UHFFFAOYSA-N -1 3 259.255 3.264 20 30 CGEDHM C=C(C)CO[N-]C(=O)CC1C2CC3CC(C2)CC1C3 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N#Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)co1 ZINC001559036627 938219233 /nfs/dbraw/zinc/21/92/33/938219233.db2.gz QXTGOPKXPXSSNS-UHFFFAOYSA-N -1 3 292.294 3.336 20 30 CGEDHM N#Cc1ccc(CN2CCCC[C@H]2CC(=O)[O-])c(Cl)c1 ZINC000163517390 959238427 /nfs/dbraw/zinc/23/84/27/959238427.db2.gz WZSUOKQRCOAVPL-ZDUSSCGKSA-N -1 3 292.766 3.041 20 30 CGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001567084357 961119079 /nfs/dbraw/zinc/11/90/79/961119079.db2.gz IDKWFCKUHKNXBL-NSHDSACASA-N -1 3 291.347 3.110 20 30 CGEDHM C=CC[C@@H](C)Sc1ccc(C)cc1-c1nn[n-]n1 ZINC001573320148 962235358 /nfs/dbraw/zinc/23/53/58/962235358.db2.gz UPRKIEGUUZRJFU-SNVBAGLBSA-N -1 3 260.366 3.232 20 30 CGEDHM C=CC[C@@H](C)Sc1ccc(C)cc1-c1nnn[n-]1 ZINC001573320148 962235339 /nfs/dbraw/zinc/23/53/39/962235339.db2.gz UPRKIEGUUZRJFU-SNVBAGLBSA-N -1 3 260.366 3.232 20 30 CGEDHM C=CCC1(CNc2nccc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573330354 962245182 /nfs/dbraw/zinc/24/51/82/962245182.db2.gz WLXFKZJSXRBLDC-UHFFFAOYSA-N -1 3 298.394 3.119 20 30 CGEDHM C=CCC1(CNc2nccc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573330354 962245201 /nfs/dbraw/zinc/24/52/01/962245201.db2.gz WLXFKZJSXRBLDC-UHFFFAOYSA-N -1 3 298.394 3.119 20 30 CGEDHM C=CCCCCCN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001573334650 962253652 /nfs/dbraw/zinc/25/36/52/962253652.db2.gz GWFWLFKTGSISRO-UHFFFAOYSA-N -1 3 297.406 3.366 20 30 CGEDHM C=CCCCCCN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001573334650 962253672 /nfs/dbraw/zinc/25/36/72/962253672.db2.gz GWFWLFKTGSISRO-UHFFFAOYSA-N -1 3 297.406 3.366 20 30 CGEDHM C#CCCCCNc1cccc(C(F)F)c1-c1nnn[n-]1 ZINC001588345970 963266675 /nfs/dbraw/zinc/26/66/75/963266675.db2.gz RFIBSQVLLLGUBI-UHFFFAOYSA-N -1 3 291.305 3.020 20 30 CGEDHM C#CCCCCNc1cccc(C(F)F)c1-c1nn[n-]n1 ZINC001588345970 963266688 /nfs/dbraw/zinc/26/66/88/963266688.db2.gz RFIBSQVLLLGUBI-UHFFFAOYSA-N -1 3 291.305 3.020 20 30 CGEDHM C=C(C)c1cccc(Nc2cc(C)c(-c3nnn[n-]3)cn2)c1 ZINC001588442441 963273014 /nfs/dbraw/zinc/27/30/14/963273014.db2.gz OVYBOOUNFHGBBS-UHFFFAOYSA-N -1 3 292.346 3.347 20 30 CGEDHM C=C(C)c1cccc(Nc2cc(C)c(-c3nn[n-]n3)cn2)c1 ZINC001588442441 963273027 /nfs/dbraw/zinc/27/30/27/963273027.db2.gz OVYBOOUNFHGBBS-UHFFFAOYSA-N -1 3 292.346 3.347 20 30 CGEDHM C=C1CCC(CNc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001588462754 963279998 /nfs/dbraw/zinc/27/99/98/963279998.db2.gz QQEAYCRIOYJVJV-UHFFFAOYSA-N -1 3 287.342 3.164 20 30 CGEDHM C=C1CCC(CNc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001588462754 963280009 /nfs/dbraw/zinc/28/00/09/963280009.db2.gz QQEAYCRIOYJVJV-UHFFFAOYSA-N -1 3 287.342 3.164 20 30 CGEDHM C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594219395 998842654 /nfs/dbraw/zinc/84/26/54/998842654.db2.gz IUALESXJAUXXMA-AGIUHOORSA-N -1 3 286.375 3.123 20 30 CGEDHM C=CC[C@@H](CC)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621991065 349618641 /nfs/dbraw/zinc/61/86/41/349618641.db2.gz FESSSGCCMORKCW-LLVKDONJSA-N -1 3 287.281 3.496 20 30 CGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(C)c1Cl ZINC000592353981 346977850 /nfs/dbraw/zinc/97/78/50/346977850.db2.gz YVEZSPSJLXNMPY-SNVBAGLBSA-N -1 3 286.784 3.001 20 30 CGEDHM N#Cc1[n-]c(=NCC2(C3CC3)CCC2)sc1Cl ZINC000596175270 347394444 /nfs/dbraw/zinc/39/44/44/347394444.db2.gz QQALFDNCEJSSJW-UHFFFAOYSA-N -1 3 267.785 3.082 20 30 CGEDHM C=CCCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000626490300 350313273 /nfs/dbraw/zinc/31/32/73/350313273.db2.gz DAANBLJZKGQATO-UHFFFAOYSA-N -1 3 298.180 3.241 20 30 CGEDHM C=CCCCCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000629366557 350680006 /nfs/dbraw/zinc/68/00/06/350680006.db2.gz UJHANKUCDQKQMT-AWEZNQCLSA-N -1 3 263.337 3.010 20 30 CGEDHM CC[C@H](C)CON=C([O-])Nc1cc(C#N)cn1C(C)(C)C ZINC000291676987 198060431 /nfs/dbraw/zinc/06/04/31/198060431.db2.gz BWWBENWJBBENKO-NSHDSACASA-N -1 3 292.383 3.214 20 30 CGEDHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000291676987 198060433 /nfs/dbraw/zinc/06/04/33/198060433.db2.gz BWWBENWJBBENKO-NSHDSACASA-N -1 3 292.383 3.214 20 30 CGEDHM CCc1cc(C(=O)N2CCc3ccc(C#N)cc32)ccc1[O-] ZINC000336421757 213281058 /nfs/dbraw/zinc/28/10/58/213281058.db2.gz XJRMAIRVWOXWTB-UHFFFAOYSA-N -1 3 292.338 3.029 20 30 CGEDHM COc1ccc(C#N)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436544408 237129794 /nfs/dbraw/zinc/12/97/94/237129794.db2.gz OSCBTGNOTMPFGG-UHFFFAOYSA-N -1 3 296.326 3.142 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2cc3ccccc3n2C)n1 ZINC000125052411 370930668 /nfs/dbraw/zinc/93/06/68/370930668.db2.gz KAHHRNHUAFNAAU-GFCCVEGCSA-N -1 3 295.367 3.433 20 30 CGEDHM CC(C)CON=C([O-])Nc1cc(C#N)ccc1OC(C)C ZINC000159511530 372150572 /nfs/dbraw/zinc/15/05/72/372150572.db2.gz CCXXBFBYHRETPS-UHFFFAOYSA-N -1 3 291.351 3.055 20 30 CGEDHM CC(C)CO[N-]C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000159511530 372150577 /nfs/dbraw/zinc/15/05/77/372150577.db2.gz CCXXBFBYHRETPS-UHFFFAOYSA-N -1 3 291.351 3.055 20 30 CGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1CCC(C)C ZINC000160142915 372216397 /nfs/dbraw/zinc/21/63/97/372216397.db2.gz KTULBYFHSJAVBI-CQSZACIVSA-N -1 3 296.374 3.123 20 30 CGEDHM CCc1ccc([C@H](C#N)NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436837271 372840452 /nfs/dbraw/zinc/84/04/52/372840452.db2.gz HDUFRXLQGJUIKM-INIZCTEOSA-N -1 3 294.354 3.258 20 30 CGEDHM CCS[C@H]1CCCC[C@@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000175900431 373536435 /nfs/dbraw/zinc/53/64/35/373536435.db2.gz SKDPFVIGQMTIFD-VVJJCZEYSA-N -1 3 295.404 3.287 20 30 CGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc([O-])c1 ZINC000182251472 374245792 /nfs/dbraw/zinc/24/57/92/374245792.db2.gz GYGMBQGNZHKPMV-UHFFFAOYSA-N -1 3 294.354 3.315 20 30 CGEDHM O=C(NC[C@@H]1CCCc2ccccc21)c1csc(=O)[n-]1 ZINC000329899559 374440976 /nfs/dbraw/zinc/44/09/76/374440976.db2.gz FNNTUQGYEJGPPG-NSHDSACASA-N -1 3 288.372 3.273 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(C3CC3)c2)nc(C)n1 ZINC000566447750 377496932 /nfs/dbraw/zinc/49/69/32/377496932.db2.gz VLSFWJCXXQRMCA-MRXNPFEDSA-N -1 3 291.354 3.461 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2nc(CC)oc2C)s1 ZINC000341441647 377566652 /nfs/dbraw/zinc/56/66/52/377566652.db2.gz OHNOTGHDZMITQH-UHFFFAOYSA-N -1 3 289.360 3.293 20 30 CGEDHM N#CC(=C([O-])c1ccoc1C1CC1)c1ccccn1 ZINC000342650646 377712326 /nfs/dbraw/zinc/71/23/26/377712326.db2.gz XURAAVOCOMJXLY-LBPRGKRZSA-N -1 3 252.273 3.042 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1cnn([C@H](C)CC)c1C1CC1 ZINC000342798778 377800766 /nfs/dbraw/zinc/80/07/66/377800766.db2.gz LONGLRBSUCIRFB-LLVKDONJSA-N -1 3 297.424 3.049 20 30 CGEDHM [O-]c1ccccc1/C=N/[C@H]1CCOC2(CCSCC2)C1 ZINC000269378763 378215421 /nfs/dbraw/zinc/21/54/21/378215421.db2.gz UQAZGLFAIIIZBN-IQGJIOQQSA-N -1 3 291.416 3.256 20 30 CGEDHM Cc1ncc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000345388105 378274802 /nfs/dbraw/zinc/27/48/02/378274802.db2.gz AUXAYQQDYNZXRZ-JTQLQIEISA-N -1 3 296.355 3.126 20 30 CGEDHM C=CCn1c(SCCc2ccc(CC)cc2)n[n-]c1=O ZINC000348131588 378805075 /nfs/dbraw/zinc/80/50/75/378805075.db2.gz DBPKBBPCQJGRCV-UHFFFAOYSA-N -1 3 289.404 3.067 20 30 CGEDHM Cc1c[nH]cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361542341 381792273 /nfs/dbraw/zinc/79/22/73/381792273.db2.gz YCBHARLJIXXABM-CQSZACIVSA-N -1 3 275.311 3.361 20 30 CGEDHM C=CCCCCCN(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000182040516 392741541 /nfs/dbraw/zinc/74/15/41/392741541.db2.gz OHTWQSNCPZKFMU-CMDGGOBGSA-N -1 3 274.364 3.005 20 30 CGEDHM C=CCC(C)(C)C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000648904502 393286122 /nfs/dbraw/zinc/28/61/22/393286122.db2.gz RBEODXSMOBDILA-UHFFFAOYSA-N -1 3 299.374 3.048 20 30 CGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccccc1[O-] ZINC000124452244 287233551 /nfs/dbraw/zinc/23/35/51/287233551.db2.gz MCEHIPMLDZLFPS-UHFFFAOYSA-N -1 3 294.354 3.315 20 30 CGEDHM C=CC[C@@H]1N(Cc2nc(CC)cc(=O)[n-]2)CCCC1(C)C ZINC000444785655 261179563 /nfs/dbraw/zinc/17/95/63/261179563.db2.gz RQDLUQLYKHLICV-AWEZNQCLSA-N -1 3 289.423 3.311 20 30 CGEDHM C=CCC(C)(C)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000497731949 262197264 /nfs/dbraw/zinc/19/72/64/262197264.db2.gz FTDSJVBVWAJKTO-UHFFFAOYSA-N -1 3 283.375 3.348 20 30 CGEDHM CCCc1nc(C)c(C/N=C/c2ccccc2[O-])o1 ZINC000291810940 263125726 /nfs/dbraw/zinc/12/57/26/263125726.db2.gz CUMOIHBUSOLBGK-CXUHLZMHSA-N -1 3 258.321 3.260 20 30 CGEDHM CC[C@H](C)CON=C([O-])Nc1ccccc1O[C@@H](C)C#N ZINC000296968293 263199291 /nfs/dbraw/zinc/19/92/91/263199291.db2.gz WWEJHYIASYCIBE-RYUDHWBXSA-N -1 3 291.351 3.077 20 30 CGEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000296968293 263199292 /nfs/dbraw/zinc/19/92/92/263199292.db2.gz WWEJHYIASYCIBE-RYUDHWBXSA-N -1 3 291.351 3.077 20 30 CGEDHM CC(=O)c1ccc(C(=O)NC[C@@]2(C)CCCS2)cc1[O-] ZINC000331233589 264173656 /nfs/dbraw/zinc/17/36/56/264173656.db2.gz JYWAYPYJMNXFQR-OAHLLOKOSA-N -1 3 293.388 3.185 20 30 CGEDHM COCC(C)(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000331237455 264175159 /nfs/dbraw/zinc/17/51/59/264175159.db2.gz NDLZAWJKCRONLP-UHFFFAOYSA-N -1 3 265.353 3.245 20 30 CGEDHM CCc1ccc(C(=O)Nc2ccc(CC#N)cc2)c([O-])c1 ZINC000188628214 264238399 /nfs/dbraw/zinc/23/83/99/264238399.db2.gz SCIPISXDEQFGNZ-UHFFFAOYSA-N -1 3 280.327 3.273 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000523333825 270108539 /nfs/dbraw/zinc/10/85/39/270108539.db2.gz VJWQFNXTTVCTOQ-GFCCVEGCSA-N -1 3 294.354 3.317 20 30 CGEDHM Cc1cc(C(=O)[N-]c2ccccc2SCCC#N)no1 ZINC000108199507 327811025 /nfs/dbraw/zinc/81/10/25/327811025.db2.gz CMYHQYUIMBGYEZ-UHFFFAOYSA-N -1 3 287.344 3.241 20 30 CGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000116906194 330361389 /nfs/dbraw/zinc/36/13/89/330361389.db2.gz KHPOEVHOIHAFCN-QMMMGPOBSA-N -1 3 294.203 3.236 20 30 CGEDHM CCCCc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1 ZINC000088475987 330480456 /nfs/dbraw/zinc/48/04/56/330480456.db2.gz DGAGOTOEBOVLBY-AWEZNQCLSA-N -1 3 280.393 3.073 20 30 CGEDHM C=C[C@](C)(CC)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000443551305 330801165 /nfs/dbraw/zinc/80/11/65/330801165.db2.gz RHZGNOPCFHFABI-MRXNPFEDSA-N -1 3 269.348 3.039 20 30 CGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451366365 331026053 /nfs/dbraw/zinc/02/60/53/331026053.db2.gz IRWSOPZTQQXRPI-NSHDSACASA-N -1 3 273.423 3.080 20 30 CGEDHM C=C(C)CC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000451801247 331042557 /nfs/dbraw/zinc/04/25/57/331042557.db2.gz GZMZZFJSHMJWQU-UHFFFAOYSA-N -1 3 297.351 3.125 20 30 CGEDHM C=CCN(Cc1cccs1)C(=O)c1ccccc1[O-] ZINC000195323616 331170477 /nfs/dbraw/zinc/17/04/77/331170477.db2.gz ODMHKNDHFAPKEW-UHFFFAOYSA-N -1 3 273.357 3.282 20 30 CGEDHM CC(C)c1ccc(C(=O)NCC(C)(C)CC#N)c([O-])c1 ZINC000457991889 331239497 /nfs/dbraw/zinc/23/94/97/331239497.db2.gz JYWFSRKTRYOTMV-UHFFFAOYSA-N -1 3 274.364 3.185 20 30 CGEDHM CCOc1cc(CN(CC)C[C@@H](C)C#N)cc(Cl)c1[O-] ZINC000459316228 331275971 /nfs/dbraw/zinc/27/59/71/331275971.db2.gz AXLUCWGIOMZUCL-NSHDSACASA-N -1 3 296.798 3.426 20 30 CGEDHM C#C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000491351078 332195242 /nfs/dbraw/zinc/19/52/42/332195242.db2.gz RHTGHYDFIKGGDZ-HNNXBMFYSA-N -1 3 291.366 3.018 20 30 CGEDHM C#C[C@H](CCC)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000491632074 332254139 /nfs/dbraw/zinc/25/41/39/332254139.db2.gz OINMQLFPAXWCQW-MRXNPFEDSA-N -1 3 295.382 3.396 20 30 CGEDHM C=C(C)C[C@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000567504185 334726603 /nfs/dbraw/zinc/72/66/03/334726603.db2.gz FHKIXMQAEQQLDL-JTQLQIEISA-N -1 3 261.321 3.136 20 30 CGEDHM C=CCCC[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000182644783 335833344 /nfs/dbraw/zinc/83/33/44/335833344.db2.gz PHWXPMHOWZWJDJ-LLVKDONJSA-N -1 3 281.783 3.449 20 30 CGEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1C ZINC000192782538 527207502 /nfs/dbraw/zinc/20/75/02/527207502.db2.gz SHZFLWSVVQBLSB-OAHLLOKOSA-N -1 3 278.311 3.083 20 30 CGEDHM CCOc1ccc(/C=N/[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000741165917 572361082 /nfs/dbraw/zinc/36/10/82/572361082.db2.gz STTQFFKVDQIAJV-UYRKDIFXSA-N -1 3 289.375 3.023 20 30 CGEDHM CCc1cnc(CC/N=C\c2c([O-])cccc2OC)s1 ZINC000743043987 572392862 /nfs/dbraw/zinc/39/28/62/572392862.db2.gz CBWHOZHZLZDVIC-YBEGLDIGSA-N -1 3 290.388 3.081 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N\CCOC[C@H]1CCOC1 ZINC000731563342 572416580 /nfs/dbraw/zinc/41/65/80/572416580.db2.gz PGYVFHVGWPWDJU-KVMVOAJRSA-N -1 3 299.370 3.017 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cnc3ccccn23)ccc1[O-] ZINC000740765671 572456418 /nfs/dbraw/zinc/45/64/18/572456418.db2.gz NAVSLROEZJUBGQ-SOFGYWHQSA-N -1 3 278.311 3.244 20 30 CGEDHM Cc1ccc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])o1 ZINC000741164871 572486375 /nfs/dbraw/zinc/48/63/75/572486375.db2.gz CBTQRYQERCMONI-HFVKVNHUSA-N -1 3 279.723 3.100 20 30 CGEDHM Cc1cccc([C@H](C)C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000741166332 572487244 /nfs/dbraw/zinc/48/72/44/572487244.db2.gz ZWGRWHWUQAEMGE-XTBHVRTMSA-N -1 3 298.386 3.119 20 30 CGEDHM [O-]c1ccccc1/C=N\[C@@H]1C[C@H]1Cc1ccccc1 ZINC000741464144 572499985 /nfs/dbraw/zinc/49/99/85/572499985.db2.gz LGYKPXYBBPELOU-JFNRVDGVSA-N -1 3 251.329 3.442 20 30 CGEDHM CO[C@@H](C)CC/N=C/c1c([O-])ccc2ccccc21 ZINC000726428475 572576355 /nfs/dbraw/zinc/57/63/55/572576355.db2.gz BKOMIGNHNJOTDO-OOIIIRTPSA-N -1 3 257.333 3.389 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N\CCOc1cccnc1 ZINC000733902934 572611249 /nfs/dbraw/zinc/61/12/49/572611249.db2.gz FBVQNHOSUBTMEE-MOSHPQCFSA-N -1 3 292.338 3.438 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CC[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000733904152 572612205 /nfs/dbraw/zinc/61/22/05/572612205.db2.gz VFVZWWMKXYCQFP-DFGDDMDISA-N -1 3 290.407 3.223 20 30 CGEDHM CCOc1ccc(/C=N/C[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000733904140 572612284 /nfs/dbraw/zinc/61/22/84/572612284.db2.gz UYDDCPYDUJBCCO-LPGQDOADSA-N -1 3 299.370 3.118 20 30 CGEDHM CC(=NN=C1C[C@H](C)c2c1c([O-])ccc2F)c1cnccn1 ZINC000745209269 572807325 /nfs/dbraw/zinc/80/73/25/572807325.db2.gz SHDYECJNEYTELC-VIFPVBQESA-N -1 3 298.321 3.042 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H]1C[C@](C)(OC)C1(C)C ZINC000745976975 572846069 /nfs/dbraw/zinc/84/60/69/572846069.db2.gz PZPGQWWKTOSAQO-GOLFMNMZSA-N -1 3 277.364 3.023 20 30 CGEDHM CCC(CC)[C@H](CC/N=C\c1ccc(O)c([O-])c1O)OC ZINC000746522539 572876386 /nfs/dbraw/zinc/87/63/86/572876386.db2.gz NLRYUNDAXNCAJB-XGHPXPSOSA-N -1 3 295.379 3.064 20 30 CGEDHM O=c1[n-]ncc(N=NC=CCc2ccc(F)cc2)c1Cl ZINC000747752073 572945994 /nfs/dbraw/zinc/94/59/94/572945994.db2.gz VBTJCFAWCWGHNL-XLLLHDSKSA-N -1 3 292.701 3.086 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccnn2C2CCC2)ccc1[O-] ZINC000899340509 620643798 /nfs/dbraw/zinc/64/37/98/620643798.db2.gz DQSMGPBSSAAYMI-SOFGYWHQSA-N -1 3 298.342 3.218 20 30 CGEDHM CCc1onc(C)c1/C=C\C(=O)c1ccc([O-])c(OC)c1 ZINC000899341132 620645111 /nfs/dbraw/zinc/64/51/11/620645111.db2.gz UFEOBOPZIPLFAQ-VURMDHGXSA-N -1 3 287.315 3.156 20 30 CGEDHM Cc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C(C)C ZINC000899352388 620647820 /nfs/dbraw/zinc/64/78/20/620647820.db2.gz HGPGXCRFBJOSKQ-ZDUSSCGKSA-N -1 3 275.739 3.206 20 30 CGEDHM CC(C)CCN(Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833483767 604605046 /nfs/dbraw/zinc/60/50/46/604605046.db2.gz OMLVLNABGRZEEQ-UHFFFAOYSA-N -1 3 286.375 3.267 20 30 CGEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819743920 606717587 /nfs/dbraw/zinc/71/75/87/606717587.db2.gz STLNCQMPQOJNLU-UHFFFAOYSA-N -1 3 291.358 3.059 20 30 CGEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819743920 606717588 /nfs/dbraw/zinc/71/75/88/606717588.db2.gz STLNCQMPQOJNLU-UHFFFAOYSA-N -1 3 291.358 3.059 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC000900680164 620806292 /nfs/dbraw/zinc/80/62/92/620806292.db2.gz ZRSUHSBWPSJUBD-KGLIPLIRSA-N -1 3 271.401 3.236 20 30 CGEDHM C[C@@H]1CC[C@H](C/N=C/c2cc(Cl)ccc2[O-])O1 ZINC000840711784 620140093 /nfs/dbraw/zinc/14/00/93/620140093.db2.gz YZQVNCTVUKBLDW-WBCAIHNWSA-N -1 3 253.729 3.032 20 30 CGEDHM CC[C@@H]1OCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000840712053 620140433 /nfs/dbraw/zinc/14/04/33/620140433.db2.gz VBJFLZLGBQWJEH-BMWXAVAISA-N -1 3 298.180 3.141 20 30 CGEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)[C@H]1CCCCO1 ZINC000901372573 620863775 /nfs/dbraw/zinc/86/37/75/620863775.db2.gz HSYFLTMYHKABAY-CQSZACIVSA-N -1 3 295.354 3.139 20 30 CGEDHM O=C(c1ccoc1)N([O-])Cc1cccc2ccccc21 ZINC000901370449 620865582 /nfs/dbraw/zinc/86/55/82/620865582.db2.gz HSUWONXQKPFONW-UHFFFAOYSA-N -1 3 267.284 3.464 20 30 CGEDHM COCCC[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904190426 621886893 /nfs/dbraw/zinc/88/68/93/621886893.db2.gz LNVYHKIWUTUSAV-NSHDSACASA-N -1 3 285.771 3.121 20 30 CGEDHM O=C(N([O-])Cc1ccccc1Cl)C1(C(F)F)CCC1 ZINC000904192513 621887401 /nfs/dbraw/zinc/88/74/01/621887401.db2.gz OKFRMJPESXTSHA-UHFFFAOYSA-N -1 3 289.709 3.493 20 30 CGEDHM C[Si](C)(C)C#CCCNC(=O)c1cc([O-])ccc1Cl ZINC000912328744 622630006 /nfs/dbraw/zinc/63/00/06/622630006.db2.gz OYGMLMKIEHJTLV-UHFFFAOYSA-N -1 3 295.842 3.046 20 30 CGEDHM [O-]c1c(C=NOC2CCOCC2)ccc2ccccc21 ZINC000814906548 623469310 /nfs/dbraw/zinc/46/93/10/623469310.db2.gz ZOZKCHGVEBJXQZ-UHFFFAOYSA-N -1 3 271.316 3.075 20 30 CGEDHM CC(=NN[C@H]1CCOC1(C)C)c1ccc2ccccc2c1[O-] ZINC000835014622 623857357 /nfs/dbraw/zinc/85/73/57/623857357.db2.gz JUQIOBUSHRPYOA-INIZCTEOSA-N -1 3 298.386 3.427 20 30 CGEDHM CC(=NNCc1cc(F)ccc1F)c1cc(F)ccc1[O-] ZINC000915978584 624087305 /nfs/dbraw/zinc/08/73/05/624087305.db2.gz HKUSDALDDVBURB-UHFFFAOYSA-N -1 3 294.276 3.323 20 30 CGEDHM CCOc1ccc(C=Nc2cccc(C#N)c2)c([O-])c1 ZINC000920942830 624554355 /nfs/dbraw/zinc/55/43/55/624554355.db2.gz FZWKSYZEXRNGEJ-UHFFFAOYSA-N -1 3 266.300 3.413 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1 ZINC000753537560 626454399 /nfs/dbraw/zinc/45/43/99/626454399.db2.gz RHWCFASBXXKDDE-CQSZACIVSA-N -1 3 287.322 3.428 20 30 CGEDHM [O-]c1ccc(C=NNc2ccccc2C(F)(F)F)nc1 ZINC000755467680 626624864 /nfs/dbraw/zinc/62/48/64/626624864.db2.gz SORSZGGYHMHAMU-UHFFFAOYSA-N -1 3 281.237 3.252 20 30 CGEDHM Cc1ccnc(N=NC(C)c2ccc([O-])c(F)c2)c1 ZINC000755899310 626657737 /nfs/dbraw/zinc/65/77/37/626657737.db2.gz AQEYISDWVOSBOB-UHFFFAOYSA-N -1 3 259.284 3.071 20 30 CGEDHM CCC(N=Nc1nccnc1Cl)c1ccc([O-])c(F)c1 ZINC000764693260 627218887 /nfs/dbraw/zinc/21/88/87/627218887.db2.gz VFNUCIHOUQFKRU-UHFFFAOYSA-N -1 3 294.717 3.201 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCOCC1CCC1 ZINC000764889832 627232047 /nfs/dbraw/zinc/23/20/47/627232047.db2.gz WUCGCPZJMAKXFF-CXUHLZMHSA-N -1 3 267.756 3.281 20 30 CGEDHM CC(C)N(CCC#N)Cc1cc(Br)ccc1[O-] ZINC000768763168 627497372 /nfs/dbraw/zinc/49/73/72/627497372.db2.gz HJTJRFMCJLZVAX-UHFFFAOYSA-N -1 3 297.196 3.279 20 30 CGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(F)nc1 ZINC000777467872 628275135 /nfs/dbraw/zinc/27/51/35/628275135.db2.gz NLMGOVALXWHWMN-NDVARNPJSA-N -1 3 287.265 3.449 20 30 CGEDHM CCC(N=Nc1ccc(OC)cn1)c1ccc([O-])c(F)c1 ZINC000780269982 628474723 /nfs/dbraw/zinc/47/47/23/628474723.db2.gz AYMRDDGRCQJFPA-UHFFFAOYSA-N -1 3 289.310 3.161 20 30 CGEDHM CC(C)(C)c1nc(C(=O)[N-]c2sccc2C#N)co1 ZINC000875015064 634671074 /nfs/dbraw/zinc/67/10/74/634671074.db2.gz YLHIRXQONSJVLF-UHFFFAOYSA-N -1 3 275.333 3.158 20 30 CGEDHM N#Cc1ccc(COC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000784188583 628792349 /nfs/dbraw/zinc/79/23/49/628792349.db2.gz ZPIVUJKQFRTDAU-UHFFFAOYSA-N -1 3 287.702 3.274 20 30 CGEDHM CCN(C)c1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cn1 ZINC000790216933 629195043 /nfs/dbraw/zinc/19/50/43/629195043.db2.gz VVZQBPWCLWMTOA-YVMONPNESA-N -1 3 296.370 3.448 20 30 CGEDHM CC(=NN[C@H](C)C(C)(C)C)c1ccc([O-])c(F)c1 ZINC000793112133 629412146 /nfs/dbraw/zinc/41/21/46/629412146.db2.gz QCKGGLYJDGWADT-SNVBAGLBSA-N -1 3 252.333 3.280 20 30 CGEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)[C@@H]1CCCO1 ZINC000863129645 629481681 /nfs/dbraw/zinc/48/16/81/629481681.db2.gz WALULTFUKPXSQF-LBPRGKRZSA-N -1 3 288.376 3.259 20 30 CGEDHM [O-]c1ccc(F)c(C=NNc2ccccc2F)c1F ZINC000794489877 629546535 /nfs/dbraw/zinc/54/65/35/629546535.db2.gz ILNOZCDVTVGMKV-UHFFFAOYSA-N -1 3 266.222 3.256 20 30 CGEDHM CC(=NNCCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000794546077 629553827 /nfs/dbraw/zinc/55/38/27/629553827.db2.gz PUZDGBVSUNTLOZ-UHFFFAOYSA-N -1 3 280.677 3.312 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CO[C@@H](C2CC2)C1 ZINC000864346046 629815109 /nfs/dbraw/zinc/81/51/09/629815109.db2.gz MSQARJAGRXPNNF-UNOAVWGMSA-N -1 3 265.740 3.032 20 30 CGEDHM Cc1ccccc1[C@@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000864347637 629815784 /nfs/dbraw/zinc/81/57/84/629815784.db2.gz VGONKWMXKVVGFY-WDDBSPGISA-N -1 3 284.359 3.076 20 30 CGEDHM CSCCON=C(C)c1cc(Cl)cc(C)c1[O-] ZINC000807985830 630611636 /nfs/dbraw/zinc/61/16/36/630611636.db2.gz ARRTZHUCNHHLAV-UHFFFAOYSA-N -1 3 273.785 3.458 20 30 CGEDHM CCc1c(C)sc([N-]C(=O)c2coc(C)n2)c1C#N ZINC000808360791 630639265 /nfs/dbraw/zinc/63/92/65/630639265.db2.gz UZBUOVUGSCGXFW-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM N#C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000810601641 630902536 /nfs/dbraw/zinc/90/25/36/630902536.db2.gz DMHOHEKVWXVZKG-VIFPVBQESA-N -1 3 280.736 3.342 20 30 CGEDHM CCc1cc2c(CSCCC#N)cc(=O)oc2cc1[O-] ZINC000840212021 630957261 /nfs/dbraw/zinc/95/72/61/630957261.db2.gz HWFFKACUKLSCCL-UHFFFAOYSA-N -1 3 289.356 3.208 20 30 CGEDHM CCC[C@@H](C)C(=O)NCC/N=C/c1cc(Cl)ccc1[O-] ZINC000814183085 631541657 /nfs/dbraw/zinc/54/16/57/631541657.db2.gz CWYFUTURAZITNM-JDAJCMJVSA-N -1 3 296.798 3.017 20 30 CGEDHM N#C[C@H]1CC[C@@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000819633841 632496595 /nfs/dbraw/zinc/49/65/95/632496595.db2.gz RLSGIDDQXINXKQ-GXSJLCMTSA-N -1 3 286.356 3.029 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871597492 633800128 /nfs/dbraw/zinc/80/01/28/633800128.db2.gz RFVFBGUEUOLDTQ-QCOLQTICSA-N -1 3 279.767 3.422 20 30 CGEDHM N#CC(=C([O-])C1=CCCCCC1)c1nnc2n1CCCCC2 ZINC000123845618 633912100 /nfs/dbraw/zinc/91/21/00/633912100.db2.gz JTYYIRODAROLTC-AWEZNQCLSA-N -1 3 298.390 3.071 20 30 CGEDHM [O-]c1ccc(F)c(C=NNC[C@H]2CCCC2(F)F)c1F ZINC000872405365 634133849 /nfs/dbraw/zinc/13/38/49/634133849.db2.gz KLXAXFZFJSYZKM-MRVPVSSYSA-N -1 3 290.260 3.029 20 30 CGEDHM CC(=NOC(C)C)c1cc(Br)ccc1[O-] ZINC000835004310 634310161 /nfs/dbraw/zinc/31/01/61/634310161.db2.gz LRBFXOQQRFVUSX-UHFFFAOYSA-N -1 3 272.142 3.304 20 30 CGEDHM N#CC1(COC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC000837684744 634965495 /nfs/dbraw/zinc/96/54/95/634965495.db2.gz JYBCAQQIGIBQTG-UHFFFAOYSA-N -1 3 287.340 3.458 20 30 CGEDHM CCCCCCCCC(=O)Nc1ncccc1[O-] ZINC000104983690 635535138 /nfs/dbraw/zinc/53/51/38/635535138.db2.gz QCKVJAMEARWOKA-UHFFFAOYSA-N -1 3 250.342 3.476 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 ZINC000844655045 635950476 /nfs/dbraw/zinc/95/04/76/635950476.db2.gz XTRZFDAHKXFDTB-ZJUUUORDSA-N -1 3 295.408 3.286 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@H](CC)CC2 ZINC000844655042 635950608 /nfs/dbraw/zinc/95/06/08/635950608.db2.gz XTRZFDAHKXFDTB-NXEZZACHSA-N -1 3 295.408 3.286 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCC[C@@H]1CCCC1(F)F ZINC000882138042 636267105 /nfs/dbraw/zinc/26/71/05/636267105.db2.gz CDGFPXNMVDLRLI-VIFPVBQESA-N -1 3 289.351 3.087 20 30 CGEDHM C#C[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000847024061 636314978 /nfs/dbraw/zinc/31/49/78/636314978.db2.gz HHEZTNNCNHVTND-LBPRGKRZSA-N -1 3 291.778 3.093 20 30 CGEDHM C#C[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000848279585 636550973 /nfs/dbraw/zinc/55/09/73/636550973.db2.gz OTIYRMRGNVAHLU-NSHDSACASA-N -1 3 285.368 3.092 20 30 CGEDHM CC1(C)C[C@H](/N=C/c2cc(Br)ccc2[O-])CO1 ZINC000849169441 636762373 /nfs/dbraw/zinc/76/23/73/636762373.db2.gz FMKKUAYARLAEKH-BXRZMRDGSA-N -1 3 298.180 3.141 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2c(C3CC3)cnn2C)ccc1[O-] ZINC000849244796 636777091 /nfs/dbraw/zinc/77/70/91/636777091.db2.gz KOZQDRFKRMWLCU-VURMDHGXSA-N -1 3 282.343 3.208 20 30 CGEDHM COc1cc(C=NN2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000853378532 637827456 /nfs/dbraw/zinc/82/74/56/637827456.db2.gz FVRMHJFMXVJULN-SNVBAGLBSA-N -1 3 282.771 3.263 20 30 CGEDHM COc1ccc(-c2ccc(=O)[n-]c2F)cc1C1(C#N)CC1 ZINC000854190097 638013438 /nfs/dbraw/zinc/01/34/38/638013438.db2.gz WATZIQONDFPWCJ-UHFFFAOYSA-N -1 3 284.290 3.157 20 30 CGEDHM C#CCC1(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CCCCC1 ZINC000854581463 638072787 /nfs/dbraw/zinc/07/27/87/638072787.db2.gz LDZHHJBRJRNFEZ-UHFFFAOYSA-N -1 3 297.358 3.181 20 30 CGEDHM C=CCCO[N-]C(=O)CCCOc1ccccc1Cl ZINC000856031462 638286932 /nfs/dbraw/zinc/28/69/32/638286932.db2.gz QBWBJGOXTYUGGE-UHFFFAOYSA-N -1 3 283.755 3.123 20 30 CGEDHM C=C[C@](C)(O)CNc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001252566329 806070096 /nfs/dbraw/zinc/07/00/96/806070096.db2.gz FKJODFPHCFHDSQ-LBPRGKRZSA-N -1 3 276.163 3.356 20 30 CGEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC000088478187 798948642 /nfs/dbraw/zinc/94/86/42/798948642.db2.gz GXURCNQPWOYJBG-GFCCVEGCSA-N -1 3 286.356 3.007 20 30 CGEDHM CCCCN([O-])C(=O)Cc1c(C)oc2ccccc21 ZINC001184315431 810191296 /nfs/dbraw/zinc/19/12/96/810191296.db2.gz ZAVNQCFONJHJMQ-UHFFFAOYSA-N -1 3 261.321 3.302 20 30 CGEDHM COC(=O)c1ccc(OC)c(-c2ccc(/C(C)=N/[O-])cc2)c1 ZINC001244055212 803164428 /nfs/dbraw/zinc/16/44/28/803164428.db2.gz LXMPAIIHZYMGCZ-WOJGMQOQSA-N -1 3 299.326 3.347 20 30 CGEDHM N#Cc1c(Cl)cccc1-c1ccccc1-c1nnn[n-]1 ZINC001244724145 803513796 /nfs/dbraw/zinc/51/37/96/803513796.db2.gz KVBINIIFTGRJSP-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM N#Cc1c(Cl)cccc1-c1ccccc1-c1nn[n-]n1 ZINC001244724145 803513797 /nfs/dbraw/zinc/51/37/97/803513797.db2.gz KVBINIIFTGRJSP-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM CCCCN(CC#N)Cc1cccc([O-])c1Br ZINC001140552882 804460154 /nfs/dbraw/zinc/46/01/54/804460154.db2.gz NKYJTRKBTSCAMC-UHFFFAOYSA-N -1 3 297.196 3.280 20 30 CGEDHM CCc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)cs1 ZINC001147714284 805145566 /nfs/dbraw/zinc/14/55/66/805145566.db2.gz RLMIGVSBZZTVEU-UHFFFAOYSA-N -1 3 272.329 3.140 20 30 CGEDHM N#Cc1cc(NC(=O)c2csc3c2CCCC3)ccc1[O-] ZINC001150982658 805276644 /nfs/dbraw/zinc/27/66/44/805276644.db2.gz HLCYTVOYIVQNON-UHFFFAOYSA-N -1 3 298.367 3.456 20 30 CGEDHM CC(C)(C)n1ncc(C#N)c1Nc1c([O-])cccc1F ZINC001249989509 805347748 /nfs/dbraw/zinc/34/77/48/805347748.db2.gz UWOVGBYBYJWMBU-UHFFFAOYSA-N -1 3 274.299 3.098 20 30 CGEDHM N#Cc1ccc(C([O-])=Cc2c(F)cc(F)cc2F)cc1 ZINC001250207927 805490434 /nfs/dbraw/zinc/49/04/34/805490434.db2.gz BJGILMQNVUYKCQ-UHFFFAOYSA-N -1 3 275.229 3.401 20 30 CGEDHM CCOc1nccc([N-]c2onc(C)c2C#N)c1Cl ZINC001250246761 805519149 /nfs/dbraw/zinc/51/91/49/805519149.db2.gz PLYAULHCEZGMNL-UHFFFAOYSA-N -1 3 278.699 3.045 20 30 CGEDHM CC(=O)OCc1cccc(Cl)c1[N-]c1oncc1C#N ZINC001212775063 815133954 /nfs/dbraw/zinc/13/39/54/815133954.db2.gz OLFMCGOOHCHIRI-UHFFFAOYSA-N -1 3 291.694 3.006 20 30 CGEDHM CC(C)(C)c1noc([N-]c2cnn(CC3CC3)c2)c1C#N ZINC001174466728 809024291 /nfs/dbraw/zinc/02/42/91/809024291.db2.gz AXHWZDFPNHCWRY-UHFFFAOYSA-N -1 3 285.351 3.194 20 30 CGEDHM N#Cc1ncc(Cl)cc1Nc1c(F)cc([O-])cc1F ZINC001175100873 809271887 /nfs/dbraw/zinc/27/18/87/809271887.db2.gz ZEUAZDHZNSHFTH-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM C=C[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC001295128491 809482281 /nfs/dbraw/zinc/48/22/81/809482281.db2.gz VEGXVPJMCVFMLB-GFCCVEGCSA-N -1 3 271.291 3.440 20 30 CGEDHM Cn1ccc2c1cccc2Nc1cc(C#N)ccc1[O-] ZINC001175867553 809561757 /nfs/dbraw/zinc/56/17/57/809561757.db2.gz RTQKXBQLXFEXCS-UHFFFAOYSA-N -1 3 263.300 3.499 20 30 CGEDHM Cc1nc(C#N)ccc1Nc1cc([O-])cc(Cl)c1 ZINC001176623837 809732643 /nfs/dbraw/zinc/73/26/43/809732643.db2.gz IAQPERPSULBJEF-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM C#CCCCCCCCCC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001182185388 810097966 /nfs/dbraw/zinc/09/79/66/810097966.db2.gz DIBLEZJPVRTNFR-UHFFFAOYSA-N -1 3 289.379 3.183 20 30 CGEDHM CC(C)[C@H]1C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283370 810189060 /nfs/dbraw/zinc/18/90/60/810189060.db2.gz HMUBUCOHKCXBBQ-VXGBXAGGSA-N -1 3 267.756 3.350 20 30 CGEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(F)c1F ZINC001184348099 810195246 /nfs/dbraw/zinc/19/52/46/810195246.db2.gz JUMSSPGEKMRBDZ-UHFFFAOYSA-N -1 3 295.260 3.444 20 30 CGEDHM N#Cc1cnccc1Nc1cc(Cl)c(Cl)cc1[O-] ZINC001214015474 815356920 /nfs/dbraw/zinc/35/69/20/815356920.db2.gz SFIXYMGSDCKRGJ-UHFFFAOYSA-N -1 3 280.114 3.131 20 30 CGEDHM CCCCCCCCOC(=O)NCc1ncccc1[O-] ZINC001194752960 811124225 /nfs/dbraw/zinc/12/42/25/811124225.db2.gz WFLYCNQRXIFWSJ-UHFFFAOYSA-N -1 3 280.368 3.374 20 30 CGEDHM C=C(C)c1ccccc1NC(=S)[N-]C(=O)OCC ZINC001195487365 811260365 /nfs/dbraw/zinc/26/03/65/811260365.db2.gz UVNRETQYWLVPAD-UHFFFAOYSA-N -1 3 264.350 3.163 20 30 CGEDHM N#Cc1c2c(sc1Nc1cncc([O-])c1)CCCC2 ZINC001201629195 811924608 /nfs/dbraw/zinc/92/46/08/811924608.db2.gz QRWKQRKTMBZTJA-UHFFFAOYSA-N -1 3 271.345 3.343 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2c(C)cc(C)cc2C)o1 ZINC001202952038 812208258 /nfs/dbraw/zinc/20/82/58/812208258.db2.gz VSNZKRBKIDNUEP-UHFFFAOYSA-N -1 3 284.319 3.424 20 30 CGEDHM CC(=O)c1cc(-c2ccc3c(c2)CC/C3=N/[O-])ccn1 ZINC001242612621 823061801 /nfs/dbraw/zinc/06/18/01/823061801.db2.gz XXWGFULZDHKJDO-SDXDJHTJSA-N -1 3 266.300 3.076 20 30 CGEDHM C[C@H]1CC(=O)C=C(c2ccc3c(c2)[N-]C(=S)C3)C1 ZINC001242743641 823119626 /nfs/dbraw/zinc/11/96/26/823119626.db2.gz XZZJCEGJDKJQBI-SECBINFHSA-N -1 3 257.358 3.364 20 30 CGEDHM N#Cc1cc(Nc2cnc3cccc([O-])c3c2)ccc1O ZINC001210530997 814512028 /nfs/dbraw/zinc/51/20/28/814512028.db2.gz ROHDXRRSIKBSBT-UHFFFAOYSA-N -1 3 277.283 3.261 20 30 CGEDHM COC(=O)c1cc([O-])cc(Nc2ccc(C)cc2C#N)c1 ZINC001210568669 814532677 /nfs/dbraw/zinc/53/26/77/814532677.db2.gz PAAJLXXVTOQCJA-UHFFFAOYSA-N -1 3 282.299 3.103 20 30 CGEDHM Cc1ccc(-c2ccc(C#N)c(C)c2)cc1-c1nnn[n-]1 ZINC001242769255 823127969 /nfs/dbraw/zinc/12/79/69/823127969.db2.gz KFVBSOROSYYBLO-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1ccc(-c2ccc(C#N)c(C)c2)cc1-c1nn[n-]n1 ZINC001242769255 823127970 /nfs/dbraw/zinc/12/79/70/823127970.db2.gz KFVBSOROSYYBLO-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1cnc(-c2cc([O-])cc(C(F)(F)F)c2)c(C#N)n1 ZINC001242781576 823131538 /nfs/dbraw/zinc/13/15/38/823131538.db2.gz MXASNJRDHXFRJL-UHFFFAOYSA-N -1 3 279.221 3.048 20 30 CGEDHM COc1cc(C#N)cc(Nc2ccc(F)c([O-])c2)c1 ZINC001211219660 814854144 /nfs/dbraw/zinc/85/41/44/814854144.db2.gz PDWDOJSCSZNOTI-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc(F)c(F)c(F)c2N)c1 ZINC001216010547 815660350 /nfs/dbraw/zinc/66/03/50/815660350.db2.gz GLRCGLOVBNWUBN-UHFFFAOYSA-N -1 3 279.221 3.007 20 30 CGEDHM Cc1ccc(-c2c(C)cc(C#N)cc2C)cc1-c1nnn[n-]1 ZINC001222672870 816496237 /nfs/dbraw/zinc/49/62/37/816496237.db2.gz RJRSMFMQEAAMQW-UHFFFAOYSA-N -1 3 289.342 3.331 20 30 CGEDHM Cc1ccc(-c2c(C)cc(C#N)cc2C)cc1-c1nn[n-]n1 ZINC001222672870 816496242 /nfs/dbraw/zinc/49/62/42/816496242.db2.gz RJRSMFMQEAAMQW-UHFFFAOYSA-N -1 3 289.342 3.331 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCc3ccccc32)[n-]1 ZINC001225467793 817063209 /nfs/dbraw/zinc/06/32/09/817063209.db2.gz WVZCCIUPCACHDU-HNNXBMFYSA-N -1 3 266.300 3.034 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccc(F)c(F)c2)[n-]1 ZINC001225470684 817063672 /nfs/dbraw/zinc/06/36/72/817063672.db2.gz YJTVNBGYYOFIRN-SECBINFHSA-N -1 3 290.269 3.386 20 30 CGEDHM C=CCC[C@@H](CC)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225576979 817097750 /nfs/dbraw/zinc/09/77/50/817097750.db2.gz QEPZWSFAORIWAB-MRVPVSSYSA-N -1 3 276.258 3.325 20 30 CGEDHM Cc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1C#N ZINC001225740032 817162608 /nfs/dbraw/zinc/16/26/08/817162608.db2.gz AQUBRZNAVTYAHL-SNVBAGLBSA-N -1 3 271.345 3.085 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@H](C#N)c2cccc(F)c2)c1 ZINC001225993649 817241509 /nfs/dbraw/zinc/24/15/09/817241509.db2.gz JCOYCWOXSDCVHB-MRXNPFEDSA-N -1 3 285.274 3.378 20 30 CGEDHM CCc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1C#N ZINC001227061406 817547275 /nfs/dbraw/zinc/54/72/75/817547275.db2.gz CXIQXLUPHUJWLT-SNVBAGLBSA-N -1 3 285.372 3.339 20 30 CGEDHM CC1(C)CC(Oc2cc(C#N)ccc2[O-])CC(C)(C)O1 ZINC001227349759 817629688 /nfs/dbraw/zinc/62/96/88/817629688.db2.gz JGSDYLMUINUIEQ-UHFFFAOYSA-N -1 3 275.348 3.379 20 30 CGEDHM C#C[C@H](CC)Oc1c([O-])cc(Br)cc1F ZINC001227587448 817677248 /nfs/dbraw/zinc/67/72/48/817677248.db2.gz IQTCKWLYMZHGMU-MRVPVSSYSA-N -1 3 273.101 3.084 20 30 CGEDHM C[C@@H](C#C[Si](C)(C)C)Oc1ncc(Cl)cc1[O-] ZINC001227983971 817773189 /nfs/dbraw/zinc/77/31/89/817773189.db2.gz XWNQPYRUFOANFO-VIFPVBQESA-N -1 3 269.804 3.089 20 30 CGEDHM C#C[C@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228151844 817825686 /nfs/dbraw/zinc/82/56/86/817825686.db2.gz JVBQTIREVNVLBF-LBPRGKRZSA-N -1 3 266.296 3.024 20 30 CGEDHM C#C[C@H](CCCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228623340 817956606 /nfs/dbraw/zinc/95/66/06/817956606.db2.gz RMDJQBDJXUJXSM-GFCCVEGCSA-N -1 3 286.327 3.378 20 30 CGEDHM CCCCCCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231451993 818103412 /nfs/dbraw/zinc/10/34/12/818103412.db2.gz ZCISCPHQEAKBIQ-UHFFFAOYSA-N -1 3 279.380 3.493 20 30 CGEDHM CCCCCCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231451993 818103417 /nfs/dbraw/zinc/10/34/17/818103417.db2.gz ZCISCPHQEAKBIQ-UHFFFAOYSA-N -1 3 279.380 3.493 20 30 CGEDHM [O-]c1ccc(CN2CCC(S)CC2)cc1C(F)(F)F ZINC001231523280 818121105 /nfs/dbraw/zinc/12/11/05/818121105.db2.gz TURAKMLEZROTIG-UHFFFAOYSA-N -1 3 291.338 3.305 20 30 CGEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c([O-])c1 ZINC001231737172 818162850 /nfs/dbraw/zinc/16/28/50/818162850.db2.gz NLBWAWJJMFLWTL-XYYAHUGASA-N -1 3 276.767 3.312 20 30 CGEDHM C=C[C@@H](CC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233496750 818627538 /nfs/dbraw/zinc/62/75/38/818627538.db2.gz ABMVIIPBBCXEKM-ZETCQYMHSA-N -1 3 281.699 3.468 20 30 CGEDHM CCCC(=O)[C@@H](CCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233804319 818708033 /nfs/dbraw/zinc/70/80/33/818708033.db2.gz WYIJXOZKBLOKAA-SWEABUAFSA-N -1 3 293.363 3.420 20 30 CGEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC001234144681 818790022 /nfs/dbraw/zinc/79/00/22/818790022.db2.gz SMDIPIDQCFEIFR-JTQLQIEISA-N -1 3 284.271 3.312 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@H](C#N)c2ccccc2F)c1 ZINC001234144281 818791301 /nfs/dbraw/zinc/79/13/01/818791301.db2.gz MIIUGMZYUXERLK-OAHLLOKOSA-N -1 3 268.247 3.047 20 30 CGEDHM C=C[C@H](CCCCCC)Oc1cccc([O-])c1C(N)=O ZINC001234148238 818791867 /nfs/dbraw/zinc/79/18/67/818791867.db2.gz FQHIHCNACFEWEQ-GFCCVEGCSA-N -1 3 277.364 3.395 20 30 CGEDHM CCC#C[C@@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234692679 818917414 /nfs/dbraw/zinc/91/74/14/818917414.db2.gz QYNWEDLAGOLGNG-GFCCVEGCSA-N -1 3 268.316 3.030 20 30 CGEDHM CC#C[C@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792466 818924076 /nfs/dbraw/zinc/92/40/76/818924076.db2.gz BAFXOEHAKDPERJ-LBPRGKRZSA-N -1 3 276.332 3.093 20 30 CGEDHM C[C@H](CC(C)(C)S)Oc1nc2ccsc2[n-]1 ZINC001234848781 818933932 /nfs/dbraw/zinc/93/39/32/818933932.db2.gz UCWJFOYBWAMDFN-SSDOTTSWSA-N -1 3 256.396 3.490 20 30 CGEDHM C[C@H](CC(C)(C)S)Oc1nc2sccc2[n-]1 ZINC001234848781 818933937 /nfs/dbraw/zinc/93/39/37/818933937.db2.gz UCWJFOYBWAMDFN-SSDOTTSWSA-N -1 3 256.396 3.490 20 30 CGEDHM COc1ccc(-c2ccc(C=N[O-])c(F)c2)c2c[nH]nc21 ZINC001236477432 819495242 /nfs/dbraw/zinc/49/52/42/819495242.db2.gz XDRPFBQCIWBDQG-CNHKJKLMSA-N -1 3 285.278 3.186 20 30 CGEDHM N#CCOc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001243591770 823459242 /nfs/dbraw/zinc/45/92/42/823459242.db2.gz VGNVFYVGALRHRO-UHFFFAOYSA-N -1 3 252.273 3.064 20 30 CGEDHM COc1cccc(OC)c1-c1ccccc1C=N[O-] ZINC001239673991 820510049 /nfs/dbraw/zinc/51/00/49/820510049.db2.gz BXXYOPVQQICWAT-UHFFFAOYSA-N -1 3 257.289 3.179 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3ccc(O)c(F)c3)ccc21 ZINC001240787500 821328312 /nfs/dbraw/zinc/32/83/12/821328312.db2.gz HTRFXENNFSVPIS-VKAVYKQESA-N -1 3 257.264 3.323 20 30 CGEDHM CCc1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001241380340 821780797 /nfs/dbraw/zinc/78/07/97/821780797.db2.gz WRBGWBURPXDGAE-VLGSPTGOSA-N -1 3 252.317 3.436 20 30 CGEDHM O=C(NC1CC1)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001241597439 821980177 /nfs/dbraw/zinc/98/01/77/821980177.db2.gz UWNPQDBSDWCDCA-VXLYETTFSA-N -1 3 298.317 3.193 20 30 CGEDHM Cn1cc2cc(-c3ccc(/C=N/[O-])c(F)c3)ccc2n1 ZINC001241606549 821987934 /nfs/dbraw/zinc/98/79/34/821987934.db2.gz BGVLMVHQTISURT-CAOOACKPSA-N -1 3 269.279 3.188 20 30 CGEDHM Cc1n[nH]c2cc(-c3cc(C=N[O-])ccc3F)ccc12 ZINC001241641278 822026978 /nfs/dbraw/zinc/02/69/78/822026978.db2.gz NSTNZEDNRJWIQY-CAOOACKPSA-N -1 3 269.279 3.486 20 30 CGEDHM C=C(C)c1cccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC001434413767 937248868 /nfs/dbraw/zinc/24/88/68/937248868.db2.gz UTCHBHCFIJCMSU-UHFFFAOYSA-N -1 3 297.358 3.013 20 30 CGEDHM CC[C@@H](COC(=O)c1cc([O-])cc(C#N)c1)CC(F)F ZINC001327109060 928602086 /nfs/dbraw/zinc/60/20/86/928602086.db2.gz CECNKAGMXTXRBG-SECBINFHSA-N -1 3 283.274 3.102 20 30 CGEDHM C/C(=N\[O-])c1ccccc1O[C@@H](C)C1CCOCC1 ZINC001229739669 932477872 /nfs/dbraw/zinc/47/78/72/932477872.db2.gz FMAMXXIZIDIWHM-JASJWYONSA-N -1 3 263.337 3.079 20 30 CGEDHM C#C[C@@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229807585 932486912 /nfs/dbraw/zinc/48/69/12/932486912.db2.gz JLLZYZYNXCPDJZ-LLVKDONJSA-N -1 3 298.338 3.466 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229951781 932508151 /nfs/dbraw/zinc/50/81/51/932508151.db2.gz VQDNSPCUQOWRNJ-LBPRGKRZSA-N -1 3 272.352 3.380 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229951781 932508154 /nfs/dbraw/zinc/50/81/54/932508154.db2.gz VQDNSPCUQOWRNJ-LBPRGKRZSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001231077101 932672791 /nfs/dbraw/zinc/67/27/91/932672791.db2.gz QOZGNTQQXYHMAA-HNNXBMFYSA-N -1 3 278.315 3.173 20 30 CGEDHM CCCCN([O-])C(=O)Cc1c[nH]c2cccc(OCC)c12 ZINC001306897216 932892726 /nfs/dbraw/zinc/89/27/26/932892726.db2.gz DJHAJGZPVUFQET-UHFFFAOYSA-N -1 3 290.363 3.127 20 30 CGEDHM CCCCN([O-])C(=O)Cc1ccccc1OC(C)C ZINC001306897629 932893375 /nfs/dbraw/zinc/89/33/75/932893375.db2.gz VJFBAMJXUJKADZ-UHFFFAOYSA-N -1 3 265.353 3.034 20 30 CGEDHM Cc1nocc1[N-]C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001469682546 937742118 /nfs/dbraw/zinc/74/21/18/937742118.db2.gz FKTYIXQFDIZPGJ-UHFFFAOYSA-N -1 3 296.113 3.414 20 30 CGEDHM COc1cc(/C=C\c2cc(C#N)ccn2)cc(Cl)c1[O-] ZINC001321171543 934158077 /nfs/dbraw/zinc/15/80/77/934158077.db2.gz ZZUQIKDPTLFKFZ-IHWYPQMZSA-N -1 3 286.718 3.491 20 30 CGEDHM N#CCCc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001471939669 937770852 /nfs/dbraw/zinc/77/08/52/937770852.db2.gz LVNFCHDAJAZISE-UHFFFAOYSA-N -1 3 298.317 3.169 20 30 CGEDHM O=C(c1ccon1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472616297 937778039 /nfs/dbraw/zinc/77/80/39/937778039.db2.gz OOUHTNUZUNQCMC-UHFFFAOYSA-N -1 3 287.102 3.013 20 30 CGEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)C1CC1 ZINC001472618705 937778194 /nfs/dbraw/zinc/77/81/94/937778194.db2.gz DXRIHPQMDQEPMP-JTQLQIEISA-N -1 3 267.756 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CCCOc1ccc(/C=N/[C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000271171421 378470069 /nfs/dbraw/zinc/47/00/69/378470069.db2.gz AGYOGAYWYZSDCQ-VJXRCLRWSA-N -1 3 277.364 3.167 20 30 CGEDHM Cc1cncc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361541300 381792796 /nfs/dbraw/zinc/79/27/96/381792796.db2.gz NYWBIGSLLJFWOF-INIZCTEOSA-N -1 3 287.322 3.428 20 30 CGEDHM C=CCN(Cc1cccs1)Cc1ncccc1[O-] ZINC000521317659 260043460 /nfs/dbraw/zinc/04/34/60/260043460.db2.gz RHSZKSYBYCWNFC-UHFFFAOYSA-N -1 3 260.362 3.037 20 30 CGEDHM N#Cc1ccsc1C(=O)[N-]c1cc(F)ccc1F ZINC000052027909 392076167 /nfs/dbraw/zinc/07/61/67/392076167.db2.gz MOLNZFBWDYZIIK-UHFFFAOYSA-N -1 3 264.256 3.150 20 30 CGEDHM CC(C)c1ncsc1C(=O)[N-]c1sccc1C#N ZINC000334517389 392734899 /nfs/dbraw/zinc/73/48/99/392734899.db2.gz GKUIELVDIXTKIV-UHFFFAOYSA-N -1 3 277.374 3.452 20 30 CGEDHM CCc1cc(=O)[n-]c(CSCc2ccc(C#N)cc2C)n1 ZINC000186084652 392776433 /nfs/dbraw/zinc/77/64/33/392776433.db2.gz JKCRUGGRFGEUHK-UHFFFAOYSA-N -1 3 299.399 3.358 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(C(F)(F)F)cc1 ZINC000417629135 393351155 /nfs/dbraw/zinc/35/11/55/393351155.db2.gz RRYBDNKKXYLHAH-LBPRGKRZSA-N -1 3 287.281 3.214 20 30 CGEDHM N#Cc1ccc(/C=C\C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000492250269 393710177 /nfs/dbraw/zinc/71/01/77/393710177.db2.gz SABSBDXYEQLOKT-YVMONPNESA-N -1 3 282.274 3.055 20 30 CGEDHM CCCCC(CC)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449405 572662654 /nfs/dbraw/zinc/66/26/54/572662654.db2.gz VOPDKBREZHDHIP-UHFFFAOYSA-N -1 3 296.436 3.105 20 30 CGEDHM C=CCCOCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669746816 543124079 /nfs/dbraw/zinc/12/40/79/543124079.db2.gz BRQDTCSWHOKSCD-UHFFFAOYSA-N -1 3 277.364 3.221 20 30 CGEDHM C=C(CNC(=O)c1cc(C)ccc1[O-])c1ccccc1 ZINC000673342375 543238026 /nfs/dbraw/zinc/23/80/26/543238026.db2.gz LUXXHTCOWUJQAO-UHFFFAOYSA-N -1 3 267.328 3.144 20 30 CGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000007402042 170282736 /nfs/dbraw/zinc/28/27/36/170282736.db2.gz DIJOMCRXWMDVIT-UHFFFAOYSA-N -1 3 292.747 3.012 20 30 CGEDHM 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295.688 3.432 20 30 CGEDHM C[C@H]1CC2(CC(/N=C/c3cc(Cl)ccc3[O-])C2)CO1 ZINC000899232702 620629123 /nfs/dbraw/zinc/62/91/23/620629123.db2.gz SRMOGTSPMSSBTR-GYQPLRSISA-N -1 3 279.767 3.422 20 30 CGEDHM O=C([C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N([O-])Cc1ccc(F)cc1 ZINC000901371357 620866526 /nfs/dbraw/zinc/86/65/26/620866526.db2.gz AQOXTRPMEVXGBN-IXDOHACOSA-N -1 3 297.329 3.129 20 30 CGEDHM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N([O-])Cc1cccc2ccccc21 ZINC000901371049 620866732 /nfs/dbraw/zinc/86/67/32/620866732.db2.gz LIAHZMNZBOAKOO-OIISXLGYSA-N -1 3 297.354 3.125 20 30 CGEDHM C[C@H](NCC1(C#N)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903109780 621583820 /nfs/dbraw/zinc/58/38/20/621583820.db2.gz UZZNQLSAZLQJHI-NSHDSACASA-N -1 3 289.335 3.035 20 30 CGEDHM C[C@@H]1COCC[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170980 621883931 /nfs/dbraw/zinc/88/39/31/621883931.db2.gz HMVXSDNCZFNNLX-CJNGLKHVSA-N -1 3 299.370 3.230 20 30 CGEDHM O=C(c1ccnc(C2CC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000904172946 621884280 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ZINC000771519741 627716433 /nfs/dbraw/zinc/71/64/33/627716433.db2.gz HLYXTIWUUBNXKA-UHFFFAOYSA-N -1 3 282.343 3.216 20 30 CGEDHM CCOCCON=C(C)c1ccc2ccccc2c1[O-] ZINC000774436619 627989622 /nfs/dbraw/zinc/98/96/22/627989622.db2.gz KNBXQMQBRBWRFG-UHFFFAOYSA-N -1 3 273.332 3.323 20 30 CGEDHM [O-]c1cccc(Cl)c1C=NNc1ccc2n[nH]cc2c1 ZINC000779819146 628435405 /nfs/dbraw/zinc/43/54/05/628435405.db2.gz PRBJRDBNBQCDHR-UHFFFAOYSA-N -1 3 286.722 3.368 20 30 CGEDHM CC(=NN[C@@H]1CCCC1(C)C)c1ccc([O-])c(F)c1 ZINC000782300286 628635714 /nfs/dbraw/zinc/63/57/14/628635714.db2.gz KTYFLCFONCLQJR-CQSZACIVSA-N -1 3 264.344 3.424 20 30 CGEDHM C=C(Cl)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792189538 629347157 /nfs/dbraw/zinc/34/71/57/629347157.db2.gz MMQRTZGRGVJUFP-UHFFFAOYSA-N -1 3 261.708 3.028 20 30 CGEDHM C[C@@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)[C@@H](C)O1 ZINC000863124897 629480439 /nfs/dbraw/zinc/48/04/39/629480439.db2.gz HIBDHPDJSXMLRZ-RKDXNWHRSA-N -1 3 288.376 3.258 20 30 CGEDHM CC(C)n1cc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cn1 ZINC000794934446 629602214 /nfs/dbraw/zinc/60/22/14/629602214.db2.gz KXEAICNRQWUSAV-HWKANZROSA-N -1 3 292.285 3.344 20 30 CGEDHM CCOCCON=C(C)c1cc(Cl)cc(C)c1[O-] ZINC000807985328 630611438 /nfs/dbraw/zinc/61/14/38/630611438.db2.gz FBUIBGJZHUMBLS-UHFFFAOYSA-N -1 3 271.744 3.131 20 30 CGEDHM CCCCCCCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000808775990 630676643 /nfs/dbraw/zinc/67/66/43/630676643.db2.gz PFQKWVASAUAWBC-CYBMUJFWSA-N -1 3 280.416 3.050 20 30 CGEDHM C[C@H](CC#N)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810582890 630897787 /nfs/dbraw/zinc/89/77/87/630897787.db2.gz HVBRUZMIHYSOEI-ZCFIWIBFSA-N -1 3 268.725 3.342 20 30 CGEDHM C#C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(C)(C)C ZINC000811528267 631084538 /nfs/dbraw/zinc/08/45/38/631084538.db2.gz GDZPETYIFYMXII-MRXNPFEDSA-N -1 3 281.355 3.323 20 30 CGEDHM C#CCN(Cc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC000816609791 632022454 /nfs/dbraw/zinc/02/24/54/632022454.db2.gz MIPWRUNVUQMBAB-UHFFFAOYSA-N -1 3 287.309 3.306 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1cscn1 ZINC000122216421 633340369 /nfs/dbraw/zinc/34/03/69/633340369.db2.gz ZEOZNZHNFVJQCJ-YIXHJXPBSA-N -1 3 297.177 3.230 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccsc2)c(OC)cc1[O-] ZINC000122489075 633422828 /nfs/dbraw/zinc/42/28/28/633422828.db2.gz SDUQNERXWRTFHY-ONEGZZNKSA-N -1 3 290.340 3.367 20 30 CGEDHM Cc1cc([O-])c(C=NO[C@H]2CCCCO2)c(Cl)c1 ZINC000841630740 635201225 /nfs/dbraw/zinc/20/12/25/635201225.db2.gz CBXUVIYXWAARRW-ZDUSSCGKSA-N -1 3 269.728 3.231 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCOc1ccc(Cl)cc1 ZINC000846538840 636195121 /nfs/dbraw/zinc/19/51/21/636195121.db2.gz VODHTMNQHCMBGU-UHFFFAOYSA-N -1 3 283.755 3.123 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000846552726 636201349 /nfs/dbraw/zinc/20/13/49/636201349.db2.gz ONSXUIDHAYNAST-LURJTMIESA-N -1 3 295.207 3.220 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CC1SCCS1 ZINC000852998578 637726871 /nfs/dbraw/zinc/72/68/71/637726871.db2.gz OTZOAYDGKMETSG-MLPAPPSSSA-N -1 3 273.810 3.271 20 30 CGEDHM Cc1cc([O-])c(C=NOCCOC(C)C)cc1Cl ZINC000853348242 637819973 /nfs/dbraw/zinc/81/99/73/637819973.db2.gz DYSQRXUGSHMULD-UHFFFAOYSA-N -1 3 271.744 3.130 20 30 CGEDHM C=CCCO[N-]C(=O)C1(CC)CCC(F)(F)CC1 ZINC000856027967 638285682 /nfs/dbraw/zinc/28/56/82/638285682.db2.gz IHAAPDDSRPGQAX-UHFFFAOYSA-N -1 3 261.312 3.216 20 30 CGEDHM CC(C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1Cl ZINC000860469155 639354835 /nfs/dbraw/zinc/35/48/35/639354835.db2.gz XFCRMMWHMXEMII-SNVBAGLBSA-N -1 3 288.738 3.002 20 30 CGEDHM C=CC[C@@H]1CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000934465951 639613463 /nfs/dbraw/zinc/61/34/63/639613463.db2.gz HYMZCHCALFPACB-LLVKDONJSA-N -1 3 295.342 3.232 20 30 CGEDHM N#Cc1cccc(-c2cn(-c3cc(Cl)ccc3[O-])nn2)c1 ZINC001254167288 806358243 /nfs/dbraw/zinc/35/82/43/806358243.db2.gz CNOASJMKQMWROL-UHFFFAOYSA-N -1 3 296.717 3.165 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1csc(C2CC2)n1 ZINC001161826525 806465733 /nfs/dbraw/zinc/46/57/33/806465733.db2.gz DTKQOUOOHPBXPE-UHFFFAOYSA-N -1 3 282.409 3.361 20 30 CGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccsc2)c1 ZINC000127581861 799014799 /nfs/dbraw/zinc/01/47/99/799014799.db2.gz VQBHYHNCPLMKEE-CYBMUJFWSA-N -1 3 284.340 3.018 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCO[C@H](C2CC2)C1 ZINC000588467471 799698146 /nfs/dbraw/zinc/69/81/46/799698146.db2.gz KQWKMOTWFFVEME-XBGHGCBESA-N -1 3 279.767 3.422 20 30 CGEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(C#N)ccc1F ZINC001118754974 802598293 /nfs/dbraw/zinc/59/82/93/802598293.db2.gz PWOBWIHCFJHCCQ-UHFFFAOYSA-N -1 3 285.278 3.124 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(SC)oc1C ZINC001123234193 802920330 /nfs/dbraw/zinc/92/03/30/802920330.db2.gz RPCSMCQKZGHFEN-LLVKDONJSA-N -1 3 289.360 3.016 20 30 CGEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(C#N)cc1Cl ZINC001244330961 803308398 /nfs/dbraw/zinc/30/83/98/803308398.db2.gz FTQISHIXEKTBKP-UHFFFAOYSA-N -1 3 295.733 3.367 20 30 CGEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(C#N)cc1Cl ZINC001244330961 803308406 /nfs/dbraw/zinc/30/84/06/803308406.db2.gz FTQISHIXEKTBKP-UHFFFAOYSA-N -1 3 295.733 3.367 20 30 CGEDHM N#Cc1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1F ZINC001245066221 803629638 /nfs/dbraw/zinc/62/96/38/803629638.db2.gz WRPPKGHYOGPUFL-UHFFFAOYSA-N -1 3 299.252 3.462 20 30 CGEDHM Cc1ccc(CC#N)c(-c2ccc([O-])cc2Cl)n1 ZINC001245077831 803633972 /nfs/dbraw/zinc/63/39/72/803633972.db2.gz FNTMYDUWBATIRB-UHFFFAOYSA-N -1 3 258.708 3.482 20 30 CGEDHM [O-]/N=C/c1ccc(-c2c[nH]c3cnccc23)cc1F ZINC001245397303 803726371 /nfs/dbraw/zinc/72/63/71/803726371.db2.gz QPOKLUGAYSPBQK-NGYBGAFCSA-N -1 3 255.252 3.177 20 30 CGEDHM N#Cc1ccc(NC(=S)Nc2cc(F)ccc2[O-])cc1 ZINC001245913724 804041960 /nfs/dbraw/zinc/04/19/60/804041960.db2.gz JJGQBMOHHUEIKA-UHFFFAOYSA-N -1 3 287.319 3.212 20 30 CGEDHM N#Cc1ccsc1Nc1cc(F)cc(F)c1[O-] ZINC001212477948 815034097 /nfs/dbraw/zinc/03/40/97/815034097.db2.gz RLFWBEWSVWSNDE-UHFFFAOYSA-N -1 3 252.245 3.347 20 30 CGEDHM C=C(Cc1ccccc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001144395478 804981062 /nfs/dbraw/zinc/98/10/62/804981062.db2.gz WWOVPDTYSSGCBI-UHFFFAOYSA-N -1 3 271.291 3.269 20 30 CGEDHM CC(C)(C)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cn1 ZINC001147804243 805151195 /nfs/dbraw/zinc/15/11/95/805151195.db2.gz FDXQQDFGLPDLPI-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM COc1ccc(Nc2cccc([O-])c2F)cc1C#N ZINC001212550489 815064163 /nfs/dbraw/zinc/06/41/63/815064163.db2.gz PKNWHJYNBRBDTQ-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM Cc1ccc(C#N)cc1C(=O)N1CCCc2cccc([O-])c21 ZINC001153090173 805384505 /nfs/dbraw/zinc/38/45/05/805384505.db2.gz ODJNSVFRMFPKIM-UHFFFAOYSA-N -1 3 292.338 3.165 20 30 CGEDHM N#Cc1cc(Nc2ccc(F)c(F)c2F)ccc1[O-] ZINC001174971734 809222437 /nfs/dbraw/zinc/22/24/37/809222437.db2.gz KPLCAEJBBYTCIC-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM CC(=O)c1cccc([O-])c1Nc1cc(F)cc(C#N)c1 ZINC001175684268 809503929 /nfs/dbraw/zinc/50/39/29/809503929.db2.gz HXLVFNSUZMHGSZ-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM N#Cc1ccc([O-])c(NC=CCc2ccccc2)c1 ZINC001176219833 809649679 /nfs/dbraw/zinc/64/96/79/809649679.db2.gz JYRKJIGEDLNALL-ONNFQVAWSA-N -1 3 250.301 3.432 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc(O)cc(Cl)c2)c1 ZINC001176624090 809733445 /nfs/dbraw/zinc/73/34/45/809733445.db2.gz AKLSLILQJRMPCL-UHFFFAOYSA-N -1 3 260.680 3.366 20 30 CGEDHM C#Cc1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001184229676 810184435 /nfs/dbraw/zinc/18/44/35/810184435.db2.gz VQHIVPDWFUUJEL-UHFFFAOYSA-N -1 3 259.255 3.264 20 30 CGEDHM CC1(C(=O)N([O-])CCCCc2ccccc2)CCC1 ZINC001184293355 810189145 /nfs/dbraw/zinc/18/91/45/810189145.db2.gz PPAHEPCKSGRSPA-UHFFFAOYSA-N -1 3 261.365 3.417 20 30 CGEDHM CC[C@@H](C)OCC(=O)N([O-])CCCCc1ccccc1 ZINC001184293444 810189298 /nfs/dbraw/zinc/18/92/98/810189298.db2.gz SXSDJBKXODHWCY-CQSZACIVSA-N -1 3 279.380 3.042 20 30 CGEDHM CCc1ocnc1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293434 810189305 /nfs/dbraw/zinc/18/93/05/810189305.db2.gz SJWSCXBKQVZAOY-UHFFFAOYSA-N -1 3 288.347 3.091 20 30 CGEDHM CCCCN([O-])C(=O)CCn1c2ccccc2nc1CC ZINC001184314790 810190649 /nfs/dbraw/zinc/19/06/49/810190649.db2.gz KWOYYXVIGVYEEG-UHFFFAOYSA-N -1 3 289.379 3.007 20 30 CGEDHM Cc1ccc(C(C)C)c([O-])c1C(=O)Nc1cc(C#N)ccn1 ZINC001188162634 810462220 /nfs/dbraw/zinc/46/22/20/810462220.db2.gz NUSVVJNZHMJYFY-UHFFFAOYSA-N -1 3 295.342 3.343 20 30 CGEDHM C=C1CC=C(F)C=C1NC(=O)c1ccc([O-])c(O)c1Cl ZINC001193247279 810866285 /nfs/dbraw/zinc/86/62/85/810866285.db2.gz RVKKGHUCPVHUGC-UHFFFAOYSA-N -1 3 295.697 3.178 20 30 CGEDHM CCCCCCCOC(=O)Nc1cc([O-])cc(C(N)=O)c1 ZINC001194012147 811001359 /nfs/dbraw/zinc/00/13/59/811001359.db2.gz CAPPDFTVLHWQED-UHFFFAOYSA-N -1 3 294.351 3.010 20 30 CGEDHM N#Cc1cc([O-])ccc1NC(=O)Oc1ccc(F)cc1 ZINC001195040741 811189908 /nfs/dbraw/zinc/18/99/08/811189908.db2.gz SUXBDWVNMQVJCB-UHFFFAOYSA-N -1 3 272.235 3.014 20 30 CGEDHM N#Cc1ccc(-c2ccc(C(=O)[N-]c3cnoc3)o2)cc1 ZINC001197387101 811421817 /nfs/dbraw/zinc/42/18/17/811421817.db2.gz HBXDSHZDRSTENJ-UHFFFAOYSA-N -1 3 279.255 3.059 20 30 CGEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)CCC3)ccc1[O-] ZINC001198775335 811542493 /nfs/dbraw/zinc/54/24/93/811542493.db2.gz PZXIVXNOOKQBFI-UHFFFAOYSA-N -1 3 278.311 3.005 20 30 CGEDHM CCOc1ncc(Nc2cc(C#N)ccc2[O-])cc1C ZINC001214934937 815464022 /nfs/dbraw/zinc/46/40/22/815464022.db2.gz FVPDJCRSTXMDLG-UHFFFAOYSA-N -1 3 269.304 3.110 20 30 CGEDHM CCCCCCCCCCS(=O)(=O)[N-]c1ccnnc1 ZINC001201834263 811967926 /nfs/dbraw/zinc/96/79/26/811967926.db2.gz MKRJUWQZJLRSAM-UHFFFAOYSA-N -1 3 299.440 3.359 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2ccccc2Cl)c1C#N ZINC001202052074 812004936 /nfs/dbraw/zinc/00/49/36/812004936.db2.gz PRCXEMRCUHVCPV-UHFFFAOYSA-N -1 3 276.683 3.152 20 30 CGEDHM Cc1ccc(NC(=O)Nc2ccc([O-])cc2C#N)cc1 ZINC001202432816 812090543 /nfs/dbraw/zinc/09/05/43/812090543.db2.gz PWIIZJKVOVYCEP-UHFFFAOYSA-N -1 3 267.288 3.216 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cccc(C)c2C)o1 ZINC001202695468 812152976 /nfs/dbraw/zinc/15/29/76/812152976.db2.gz SOTYUSIRTUROJH-UHFFFAOYSA-N -1 3 270.292 3.116 20 30 CGEDHM N#Cc1c(F)cc(Nc2cc(Cl)ncc2[O-])cc1F ZINC001203674025 812426246 /nfs/dbraw/zinc/42/62/46/812426246.db2.gz FJZOLBKJBHNXCJ-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM N#Cc1cc(Nc2ccc(Cl)c(CO)c2F)ccc1[O-] ZINC001215608234 815546516 /nfs/dbraw/zinc/54/65/16/815546516.db2.gz IERXCCRXAVTBEQ-UHFFFAOYSA-N -1 3 292.697 3.292 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc(F)cc(F)c2F)c1 ZINC001206406450 813315551 /nfs/dbraw/zinc/31/55/51/813315551.db2.gz XKVLVUJBZQCUSJ-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1cc(F)c(Nc2cc([O-])cc(F)c2)cc1F ZINC001206822510 813445849 /nfs/dbraw/zinc/44/58/49/813445849.db2.gz LPMFMFWXKNTDIK-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cccnc3OC(F)F)ccc21 ZINC001242632302 823073153 /nfs/dbraw/zinc/07/31/53/823073153.db2.gz XRHFWIRVEHAGJE-UYRXBGFRSA-N -1 3 290.269 3.475 20 30 CGEDHM COc1cc(C#N)ccc1[N-]c1onc(C(C)(C)C)c1C#N ZINC001209272621 813991561 /nfs/dbraw/zinc/99/15/61/813991561.db2.gz TVVCFMCFNMLCNR-UHFFFAOYSA-N -1 3 296.330 3.468 20 30 CGEDHM N#Cc1ccc(Nc2ccc(F)cc2[O-])c(C#N)c1 ZINC001210019725 814247990 /nfs/dbraw/zinc/24/79/90/814247990.db2.gz CDJDKMYOEGEDGP-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM Cc1cc2n[nH]cc2cc1Nc1cc(C#N)ccc1[O-] ZINC001210104759 814290031 /nfs/dbraw/zinc/29/00/31/814290031.db2.gz CRHGGZPCKUDWKF-UHFFFAOYSA-N -1 3 264.288 3.192 20 30 CGEDHM Cc1noc([N-]c2ccc(Cl)nc2Cl)c1C#N ZINC001211272033 814867799 /nfs/dbraw/zinc/86/77/99/814867799.db2.gz VPOPSYMNVABXEG-UHFFFAOYSA-N -1 3 269.091 3.300 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cnc(Br)s2)c1 ZINC001216268027 815761712 /nfs/dbraw/zinc/76/17/12/815761712.db2.gz OUKGNZYFCRAVHT-UHFFFAOYSA-N -1 3 296.149 3.226 20 30 CGEDHM [O-]/N=C(\O[C@@H]1CCc2cc(F)ccc21)c1ccccn1 ZINC001223976166 816712566 /nfs/dbraw/zinc/71/25/66/816712566.db2.gz NINXSSHFQCDKTQ-QFVIEVDGSA-N -1 3 272.279 3.061 20 30 CGEDHM C#C[C@@H](Oc1ccc2c([O-])coc2c1)c1ccccc1 ZINC001225342803 817017452 /nfs/dbraw/zinc/01/74/52/817017452.db2.gz LVLGYJWHRWCWJQ-MRXNPFEDSA-N -1 3 264.280 3.015 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccc(F)cc2)[n-]1 ZINC001225466283 817061177 /nfs/dbraw/zinc/06/11/77/817061177.db2.gz BHLNKKZJWYETFS-JTQLQIEISA-N -1 3 272.279 3.246 20 30 CGEDHM C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=S)ncc2C)C(C)(C)O1 ZINC001225741231 817163681 /nfs/dbraw/zinc/16/36/81/817163681.db2.gz SPFDCJYMTLQZNW-IAQYHMDHSA-N -1 3 294.420 3.355 20 30 CGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=S)ncc2C)O1 ZINC001225742578 817163765 /nfs/dbraw/zinc/16/37/65/817163765.db2.gz MNQPSHLEDPFQON-ABAIWWIYSA-N -1 3 294.420 3.355 20 30 CGEDHM Cc1cnc(=S)[n-]c1O[C@H](CC#N)c1ccccc1 ZINC001225743364 817163784 /nfs/dbraw/zinc/16/37/84/817163784.db2.gz WLOQNPZWICJTJI-GFCCVEGCSA-N -1 3 271.345 3.108 20 30 CGEDHM C=C[C@@]1(C)CC[C@@H](Oc2cc(=O)[n-]c(CC)n2)C(C)(C)O1 ZINC001226475895 817369659 /nfs/dbraw/zinc/36/96/59/817369659.db2.gz NSOWNAKYIHLREC-BZNIZROVSA-N -1 3 292.379 3.026 20 30 CGEDHM C=C[C@]1(C)CC[C@@H](Oc2cc(=O)[n-]c(CC)n2)C(C)(C)O1 ZINC001226475891 817370674 /nfs/dbraw/zinc/37/06/74/817370674.db2.gz NSOWNAKYIHLREC-BDJLRTHQSA-N -1 3 292.379 3.026 20 30 CGEDHM C=CC[C@H](Oc1cc(=O)[n-]c(C)n1)c1ccccc1 ZINC001226510830 817381296 /nfs/dbraw/zinc/38/12/96/817381296.db2.gz RBSXXNPFNIUVSL-ZDUSSCGKSA-N -1 3 256.305 3.187 20 30 CGEDHM C#C[C@@H](CCCC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531962 817389557 /nfs/dbraw/zinc/38/95/57/817389557.db2.gz KNMBQGJVAFMCHR-LBPRGKRZSA-N -1 3 286.327 3.378 20 30 CGEDHM COCOc1ccccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001243184828 823279083 /nfs/dbraw/zinc/27/90/83/823279083.db2.gz KMXFQXGOVDBUNA-VLGSPTGOSA-N -1 3 283.327 3.461 20 30 CGEDHM C[C@@H](Cc1ccccc1)Oc1cc(C#N)ccc1[O-] ZINC001227350445 817629561 /nfs/dbraw/zinc/62/95/61/817629561.db2.gz MZBZOALJOOZTOW-LBPRGKRZSA-N -1 3 253.301 3.274 20 30 CGEDHM N#CC[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227349208 817630121 /nfs/dbraw/zinc/63/01/21/817630121.db2.gz GDJSMVPQYHFMIN-OAHLLOKOSA-N -1 3 264.284 3.298 20 30 CGEDHM Cc1cccc(OC[C@@H](C)Oc2cc(C#N)ccc2[O-])c1 ZINC001227351680 817630945 /nfs/dbraw/zinc/63/09/45/817630945.db2.gz XIQKOZKJANYHBV-CYBMUJFWSA-N -1 3 283.327 3.419 20 30 CGEDHM C[C@H](CS)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228347649 817883652 /nfs/dbraw/zinc/88/36/52/817883652.db2.gz UDYRXXVGNJDRMS-SECBINFHSA-N -1 3 278.402 3.129 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700906 817979547 /nfs/dbraw/zinc/97/95/47/817979547.db2.gz ZYNBSTQEVCKSAP-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM C=CC(C=C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233501173 818629142 /nfs/dbraw/zinc/62/91/42/818629142.db2.gz XEPJJSCHTBGKQY-UHFFFAOYSA-N -1 3 279.683 3.244 20 30 CGEDHM CCCC[C@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233799520 818707509 /nfs/dbraw/zinc/70/75/09/818707509.db2.gz KKQNFRYDDCGGQU-KBVGCWLLSA-N -1 3 251.326 3.461 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@H]2C[C@H](OCc3ccccc3)C2)c1 ZINC001234144617 818789844 /nfs/dbraw/zinc/78/98/44/818789844.db2.gz RHHISRIPRBOHKL-SAABIXHNSA-N -1 3 295.338 3.390 20 30 CGEDHM C[C@@H](COc1cc([O-])cc(C#N)c1)OCc1ccccc1 ZINC001234143625 818790032 /nfs/dbraw/zinc/79/00/32/818790032.db2.gz FOSDGCHLCNVQBF-ZDUSSCGKSA-N -1 3 283.327 3.248 20 30 CGEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cccnc1Cl ZINC001234142067 818790792 /nfs/dbraw/zinc/79/07/92/818790792.db2.gz SRABSGIZNJMBII-SECBINFHSA-N -1 3 274.707 3.452 20 30 CGEDHM C#C[C@@H]1CCC[C@@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234692313 818917150 /nfs/dbraw/zinc/91/71/50/818917150.db2.gz NJDGIAFVTXGMOE-OCCSQVGLSA-N -1 3 280.327 3.030 20 30 CGEDHM COC(=O)c1ccc(C#N)cc1-c1c(F)ccc(C)c1[O-] ZINC001236414310 819459713 /nfs/dbraw/zinc/45/97/13/819459713.db2.gz ILFLJUSTXIUBPD-UHFFFAOYSA-N -1 3 285.274 3.165 20 30 CGEDHM CCCN(CCC#N)Cc1ccc(Br)c([O-])c1 ZINC001236688214 819571589 /nfs/dbraw/zinc/57/15/89/819571589.db2.gz SZDMEVSWYCMJKW-UHFFFAOYSA-N -1 3 297.196 3.280 20 30 CGEDHM N#CCCN(Cc1cc([O-])cc(F)c1)C1CCCC1 ZINC001237279356 819715192 /nfs/dbraw/zinc/71/51/92/819715192.db2.gz PMWDQIPZNGWTFJ-UHFFFAOYSA-N -1 3 262.328 3.190 20 30 CGEDHM O=C(c1ccc(-c2ccccc2C=N[O-])cc1)N1CCCC1 ZINC001239897909 820689467 /nfs/dbraw/zinc/68/94/67/820689467.db2.gz KAFACSMFCJYHOL-UHFFFAOYSA-N -1 3 294.354 3.398 20 30 CGEDHM Cn1ncc2c1cccc2-c1ccccc1C=N[O-] 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C=CC[C@H](CCCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229951780 932507936 /nfs/dbraw/zinc/50/79/36/932507936.db2.gz VQDNSPCUQOWRNJ-GFCCVEGCSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C(C)C[C@H](Oc1nc(=O)[n-]c2c1SCC2)C(=C)C ZINC001230792336 932624361 /nfs/dbraw/zinc/62/43/61/932624361.db2.gz NTNKVSAAVIQZAT-NSHDSACASA-N -1 3 278.377 3.120 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1ccsc1C ZINC001472621334 937778326 /nfs/dbraw/zinc/77/83/26/937778326.db2.gz QGARGJQBXFDYKE-UHFFFAOYSA-N -1 3 255.383 3.397 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@]1(C)COc2ccccc2O1 ZINC001472621356 937778448 /nfs/dbraw/zinc/77/84/48/937778448.db2.gz QZPNJNRJGJPGHN-INIZCTEOSA-N -1 3 293.363 3.015 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001332491913 935474364 /nfs/dbraw/zinc/47/43/64/935474364.db2.gz CWSNDZTUKJMJIO-UTUOFQBUSA-N -1 3 275.339 3.466 20 30 CGEDHM CCCCCCCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001473765482 937821429 /nfs/dbraw/zinc/82/14/29/937821429.db2.gz HHPYEEIDBCJXKA-UHFFFAOYSA-N -1 3 275.396 3.346 20 30 CGEDHM Cc1nsc([N-]C(=O)c2ccc(C(F)F)o2)c1C#N ZINC001523956366 938042094 /nfs/dbraw/zinc/04/20/94/938042094.db2.gz FVLMXDXAOAVPOU-UHFFFAOYSA-N -1 3 283.259 3.106 20 30 CGEDHM CC(C)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)cn1 ZINC001524705260 938044867 /nfs/dbraw/zinc/04/48/67/938044867.db2.gz PLDVSUUGXIBCLH-GFCCVEGCSA-N -1 3 283.306 3.229 20 30 CGEDHM Cc1cc(C)cc(CCC(=O)[N-]Oc2cccc(C#N)c2)c1 ZINC001557920905 938212488 /nfs/dbraw/zinc/21/24/88/938212488.db2.gz HSTKAVFSEGVMJQ-UHFFFAOYSA-N -1 3 294.354 3.218 20 30 CGEDHM CCc1cccc(NC(=O)c2sccc2C#N)c1[O-] ZINC001558634701 938216823 /nfs/dbraw/zinc/21/68/23/938216823.db2.gz QCYIBPITUTVSMZ-UHFFFAOYSA-N -1 3 272.329 3.140 20 30 CGEDHM Cc1noc(C)c1C(=O)N([O-])CCCCc1ccccc1 ZINC001559034045 938219088 /nfs/dbraw/zinc/21/90/88/938219088.db2.gz KLHICHBFCRNVER-UHFFFAOYSA-N -1 3 288.347 3.146 20 30 CGEDHM CCCCN([O-])C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001559035622 938219168 /nfs/dbraw/zinc/21/91/68/938219168.db2.gz YTRIODGXBKUFIK-NSHDSACASA-N -1 3 253.317 3.337 20 30 CGEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC001566435688 960936874 /nfs/dbraw/zinc/93/68/74/960936874.db2.gz SZQXRHFUCOLEQE-CYBMUJFWSA-N -1 3 298.317 3.242 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc2ccccc2c1O ZINC001583407815 962804484 /nfs/dbraw/zinc/80/44/84/962804484.db2.gz GAQRMHFCKBARSE-GFCCVEGCSA-N -1 3 285.343 3.100 20 30 CGEDHM C=CCCC(C)(C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588777850 963317285 /nfs/dbraw/zinc/31/72/85/963317285.db2.gz NCFMBARXLZZGAN-VIFPVBQESA-N -1 3 268.382 3.237 20 30 CGEDHM C=CCN(CCc1ccccc1)Cc1cncc(C(=O)[O-])c1 ZINC001588828959 963322833 /nfs/dbraw/zinc/32/28/33/963322833.db2.gz VZNVFMYUYFGUCZ-UHFFFAOYSA-N -1 3 296.370 3.011 20 30 CGEDHM CN(C)[C@H](C/N=C/c1ccccc1[O-])c1ccsc1 ZINC000075580897 345513606 /nfs/dbraw/zinc/51/36/06/345513606.db2.gz BDPAIRRBEPLKBE-BRYYZUPOSA-N -1 3 274.389 3.176 20 30 CGEDHM C=CCN(CCC#N)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000292798818 346429769 /nfs/dbraw/zinc/42/97/69/346429769.db2.gz NHHJOEGNJVKXDD-UHFFFAOYSA-N -1 3 284.281 3.313 20 30 CGEDHM Cc1nc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)co1 ZINC000588951277 346777565 /nfs/dbraw/zinc/77/75/65/346777565.db2.gz QQQXEANNDDCCIS-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cccc(C#N)n2)c1 ZINC000589261657 346791429 /nfs/dbraw/zinc/79/14/29/346791429.db2.gz HOWNYKKLABQNRM-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM N#CC[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000597905391 347603428 /nfs/dbraw/zinc/60/34/28/347603428.db2.gz OIGXNZCTCPBVBI-CYBMUJFWSA-N -1 3 298.386 3.037 20 30 CGEDHM C[C@@]1(C#N)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000612372423 348513981 /nfs/dbraw/zinc/51/39/81/348513981.db2.gz WFTOEOPYRRUZEZ-SFHVURJKSA-N -1 3 298.386 3.037 20 30 CGEDHM C=CCN(Cc1cc([O-])ccc1Cl)[C@@H](C)COC ZINC000625531021 350181503 /nfs/dbraw/zinc/18/15/03/350181503.db2.gz WSFJFJFJQICFQE-NSHDSACASA-N -1 3 269.772 3.069 20 30 CGEDHM C=CC[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000628491562 350558421 /nfs/dbraw/zinc/55/84/21/350558421.db2.gz BFPDKGCISSAAGR-SNVBAGLBSA-N -1 3 299.292 3.449 20 30 CGEDHM CSc1cc(O)ccc1[N-]C(=O)c1ccc(C#N)s1 ZINC000336355157 213205589 /nfs/dbraw/zinc/20/55/89/213205589.db2.gz DDTCRZVAXTYYKO-UHFFFAOYSA-N -1 3 290.369 3.300 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1cc(F)ccc1F ZINC000060776589 369591898 /nfs/dbraw/zinc/59/18/98/369591898.db2.gz CSNVWVNSXJLFLM-UHFFFAOYSA-N -1 3 264.256 3.150 20 30 CGEDHM CC(C)c1cc(C(=O)N(CC#N)CC#N)c([O-])c(C(C)C)c1 ZINC000094077348 370166925 /nfs/dbraw/zinc/16/69/25/370166925.db2.gz YYFTXZSGDHFSEQ-UHFFFAOYSA-N -1 3 299.374 3.128 20 30 CGEDHM C=C(Cl)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096971051 370214038 /nfs/dbraw/zinc/21/40/38/370214038.db2.gz JOIYXWQQMUQJIG-AWEZNQCLSA-N -1 3 281.783 3.126 20 30 CGEDHM C=CC[C@@H](C(=O)N=c1[nH][n-]c(CC)c1C)c1ccccc1 ZINC000429094425 372313550 /nfs/dbraw/zinc/31/35/50/372313550.db2.gz DPCCVTGNMQSDPO-CQSZACIVSA-N -1 3 283.375 3.001 20 30 CGEDHM C[C@H]1CC(NC(=O)c2cc(F)cc3nn[n-]c32)C[C@H](C)C1 ZINC000328662909 374375178 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ZINC000336459755 375797550 /nfs/dbraw/zinc/79/75/50/375797550.db2.gz YARQJRIUKROIGM-UHFFFAOYSA-N -1 3 293.298 3.108 20 30 CGEDHM Cc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)c([O-])c1 ZINC000556951884 376911471 /nfs/dbraw/zinc/91/14/71/376911471.db2.gz TUTQOVXDJPKVNV-UHFFFAOYSA-N -1 3 298.317 3.400 20 30 CGEDHM N#Cc1cccc(C2(NCc3cc([O-])cc(F)c3)CC2)c1 ZINC000341225900 377453298 /nfs/dbraw/zinc/45/32/98/377453298.db2.gz FQJHGWAMMRQSNP-UHFFFAOYSA-N -1 3 282.318 3.182 20 30 CGEDHM C=CC1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000573808542 377578077 /nfs/dbraw/zinc/57/80/77/377578077.db2.gz ODGXUIJPOSCJPP-UHFFFAOYSA-N -1 3 279.767 3.436 20 30 CGEDHM COc1cc(/C=C\c2ccc(C#N)cn2)cc(Cl)c1[O-] ZINC000255199557 377742309 /nfs/dbraw/zinc/74/23/09/377742309.db2.gz YBGIOSLTHXLEJM-RQOWECAXSA-N -1 3 286.718 3.491 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc(C#N)o2)c1 ZINC000343294754 377947982 /nfs/dbraw/zinc/94/79/82/377947982.db2.gz JQMLTGNZFDQJCI-UHFFFAOYSA-N -1 3 284.315 3.407 20 30 CGEDHM C=C(C)CCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000580720008 378253197 /nfs/dbraw/zinc/25/31/97/378253197.db2.gz UTMIUHOQNCVVMX-UHFFFAOYSA-N -1 3 283.318 3.208 20 30 CGEDHM CC(C)c1cc(C(=O)N[C@H](C)C#N)c([O-])c(C(C)C)c1 ZINC000094062336 392241232 /nfs/dbraw/zinc/24/12/32/392241232.db2.gz WIEWYHVLLXEUMV-LLVKDONJSA-N -1 3 274.364 3.281 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)c1ccc(CC#N)cc1 ZINC000334323971 392720929 /nfs/dbraw/zinc/72/09/29/392720929.db2.gz KCOIIUYNWFAQDR-UHFFFAOYSA-N -1 3 266.300 3.019 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1c(OC)ccc2ccccc21 ZINC000417624277 393350804 /nfs/dbraw/zinc/35/08/04/393350804.db2.gz JYLFPYJELXQLEM-AWEZNQCLSA-N -1 3 299.370 3.357 20 30 CGEDHM CCc1ccc2c(Cl)c(C(=O)N[O-])sc2c1 ZINC000671994727 543195853 /nfs/dbraw/zinc/19/58/53/543195853.db2.gz ATEWQMQURTVRPK-UHFFFAOYSA-N -1 3 255.726 3.236 20 30 CGEDHM CCc1ccc([O-])c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000119164474 287165856 /nfs/dbraw/zinc/16/58/56/287165856.db2.gz QXZMTEJAMRLSPK-UHFFFAOYSA-N -1 3 280.327 3.387 20 30 CGEDHM CC(C)Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000680617472 543719711 /nfs/dbraw/zinc/71/97/11/543719711.db2.gz QHMRWZADXQMWGH-HNNXBMFYSA-N -1 3 279.343 3.165 20 30 CGEDHM Cc1noc(C)c1C[C@H](C)/N=C/c1ccccc1[O-] ZINC000078022739 260299000 /nfs/dbraw/zinc/29/90/00/260299000.db2.gz JQXVZTFDLBYTSI-JSJZUPIVSA-N -1 3 258.321 3.047 20 30 CGEDHM N#CCCSc1ccccc1[N-]C(=O)c1ccc(C#N)o1 ZINC000340066553 263065652 /nfs/dbraw/zinc/06/56/52/263065652.db2.gz DSZUGBHUZIZKAN-UHFFFAOYSA-N -1 3 297.339 3.409 20 30 CGEDHM CC[C@H](C)[C@@H](NC(=O)c1csc(=O)[n-]1)C(F)(F)F ZINC000331021648 264099014 /nfs/dbraw/zinc/09/90/14/264099014.db2.gz SIBQDEFBMIYIIT-CAHLUQPWSA-N -1 3 282.287 3.130 20 30 CGEDHM C[C@H](CCC(C)(C)C)NC(=O)c1csc(=O)[n-]1 ZINC000331004935 264105397 /nfs/dbraw/zinc/10/53/97/264105397.db2.gz PEYBASKWKKOPAV-MRVPVSSYSA-N -1 3 256.371 3.368 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@@H](C(C)C)C(C)(C)O)c1 ZINC000331095767 264120575 /nfs/dbraw/zinc/12/05/75/264120575.db2.gz ABUOFLUYMCZXLX-AWEZNQCLSA-N -1 3 279.380 3.055 20 30 CGEDHM Cc1ccc(C(=O)NC2(CCO)CCCCC2)c([O-])c1 ZINC000331245309 264178811 /nfs/dbraw/zinc/17/88/11/264178811.db2.gz UAVUPBQULOHWOY-UHFFFAOYSA-N -1 3 277.364 3.091 20 30 CGEDHM CC(=O)c1ccc(C(=O)NCC2CCSCC2)cc1[O-] ZINC000331360423 264208987 /nfs/dbraw/zinc/20/89/87/264208987.db2.gz XVFGYZONQKWJJS-UHFFFAOYSA-N -1 3 293.388 3.043 20 30 CGEDHM C=CCC(F)(F)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000293637895 264977879 /nfs/dbraw/zinc/97/78/79/264977879.db2.gz YLEKBFCDZZASOF-JTQLQIEISA-N -1 3 281.302 3.444 20 30 CGEDHM C=CCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000126483118 327401535 /nfs/dbraw/zinc/40/15/35/327401535.db2.gz MIYWOTFFEPNNBU-UHFFFAOYSA-N -1 3 270.126 3.059 20 30 CGEDHM CCC(CC)n1ccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000431149647 330580197 /nfs/dbraw/zinc/58/01/97/330580197.db2.gz JBTWCQRMWDINJR-ZDUSSCGKSA-N -1 3 282.347 3.129 20 30 CGEDHM C=C(C)C[C@@H](C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000469114706 331445945 /nfs/dbraw/zinc/44/59/45/331445945.db2.gz UDSWSSZPSRAKIL-GFCCVEGCSA-N -1 3 269.348 3.039 20 30 CGEDHM C=CCCC[C@H](C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000487235533 331960471 /nfs/dbraw/zinc/96/04/71/331960471.db2.gz UWJVJUOGGBPYEC-LBPRGKRZSA-N -1 3 261.365 3.429 20 30 CGEDHM C#C[C@@H](CCC)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000491632070 332254202 /nfs/dbraw/zinc/25/42/02/332254202.db2.gz OINMQLFPAXWCQW-INIZCTEOSA-N -1 3 295.382 3.396 20 30 CGEDHM CCc1cc(C([O-])=C(C#N)c2ccccn2)oc1CC ZINC000128699866 333700601 /nfs/dbraw/zinc/70/06/01/333700601.db2.gz DASONNBUPBJHST-GFCCVEGCSA-N -1 3 268.316 3.289 20 30 CGEDHM CCOc1c(F)cccc1C([O-])=C(C#N)c1ccccn1 ZINC000076824044 334089869 /nfs/dbraw/zinc/08/98/69/334089869.db2.gz WUSAARMKLXKQMK-GFCCVEGCSA-N -1 3 284.290 3.109 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(C)cc1Cl ZINC000578512094 335643279 /nfs/dbraw/zinc/64/32/79/335643279.db2.gz OWTGHLAINGNIGJ-GFCCVEGCSA-N -1 3 267.756 3.157 20 30 CGEDHM N#CC(=C([O-])c1ccccc1OC1CC1)c1ccccn1 ZINC000347762366 534741142 /nfs/dbraw/zinc/74/11/42/534741142.db2.gz WUFTWXJQEJSFGP-AWEZNQCLSA-N -1 3 278.311 3.113 20 30 CGEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1csc(=O)[n-]1 ZINC000352206093 526568128 /nfs/dbraw/zinc/56/81/28/526568128.db2.gz SSJBKWSADLOKHP-UHFFFAOYSA-N -1 3 288.372 3.067 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCc1cnc2ccccc2c1 ZINC000347786670 527333804 /nfs/dbraw/zinc/33/38/04/527333804.db2.gz BOVHJQMVNOZSGT-UHFFFAOYSA-N -1 3 298.371 3.010 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCc1cccc(C(F)F)c1 ZINC000356052170 527334765 /nfs/dbraw/zinc/33/47/65/527334765.db2.gz ASHDWURIOYIZEX-UHFFFAOYSA-N -1 3 297.330 3.400 20 30 CGEDHM CC(N=Nc1cnc2ccccc2n1)c1cc(F)ccc1[O-] ZINC000727258421 571735929 /nfs/dbraw/zinc/73/59/29/571735929.db2.gz IXAHHEMDTIPHGF-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000727779521 571769264 /nfs/dbraw/zinc/76/92/64/571769264.db2.gz HRIAOFDCNAZLRW-UHFFFAOYSA-N -1 3 289.266 3.276 20 30 CGEDHM CC(=NNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000727779521 571769268 /nfs/dbraw/zinc/76/92/68/571769268.db2.gz HRIAOFDCNAZLRW-UHFFFAOYSA-N -1 3 289.266 3.276 20 30 CGEDHM Cc1c(NN=Cc2ccc([O-])cc2)cccc1[N+](=O)[O-] ZINC000727973252 571782177 /nfs/dbraw/zinc/78/21/77/571782177.db2.gz WNFWIRSOOCROQZ-UHFFFAOYSA-N -1 3 271.276 3.055 20 30 CGEDHM [O-]c1c(O)cccc1C=NNc1cccc2cnccc21 ZINC000728432285 571806217 /nfs/dbraw/zinc/80/62/17/571806217.db2.gz QEHNJWINNPGGPO-UHFFFAOYSA-N -1 3 279.299 3.092 20 30 CGEDHM Cc1ccc(C)c(NN=Cc2nc(C)ccc2[O-])c1 ZINC000728779569 571820720 /nfs/dbraw/zinc/82/07/20/571820720.db2.gz OFVYHZACHWXKOT-UHFFFAOYSA-N -1 3 255.321 3.158 20 30 CGEDHM CC(=NNCc1ccccc1)c1ccc([O-])cc1F ZINC000729932105 571937282 /nfs/dbraw/zinc/93/72/82/571937282.db2.gz CMSZTELFCPIPSX-UHFFFAOYSA-N -1 3 258.296 3.045 20 30 CGEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1cc([O-])cs1 ZINC000750889145 572331145 /nfs/dbraw/zinc/33/11/45/572331145.db2.gz YRNCDSKRRVAOKA-UHFFFAOYSA-N -1 3 292.743 3.316 20 30 CGEDHM COc1cccc([O-])c1/C=N\C[C@@H]1CCOc2ccccc21 ZINC000731155155 572398374 /nfs/dbraw/zinc/39/83/74/572398374.db2.gz APWHVKXCFTWUAM-QXGSTRBFSA-N -1 3 297.354 3.386 20 30 CGEDHM CCOc1ccc(C=Nn2cnc3ccccc32)c([O-])c1 ZINC000725849963 572443724 /nfs/dbraw/zinc/44/37/24/572443724.db2.gz YZRLLDOPDVAOTL-UHFFFAOYSA-N -1 3 281.315 3.023 20 30 CGEDHM CCOc1ccc(/C=N\[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000741165914 572487118 /nfs/dbraw/zinc/48/71/18/572487118.db2.gz STTQFFKVDQIAJV-INQCIYFVSA-N -1 3 289.375 3.023 20 30 CGEDHM C#CCOc1ccccc1C/N=C/c1ccccc1[O-] ZINC000734097017 572630220 /nfs/dbraw/zinc/63/02/20/572630220.db2.gz WMWDFSBHGOXSEH-LDADJPATSA-N -1 3 265.312 3.023 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=CC2CCCCC2)nc(C)n1 ZINC000735592607 572731392 /nfs/dbraw/zinc/73/13/92/572731392.db2.gz BZBJEUUNGCGZJQ-HVHJFMEUSA-N -1 3 283.375 3.406 20 30 CGEDHM CC[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000736920299 572824985 /nfs/dbraw/zinc/82/49/85/572824985.db2.gz QOHYCVPGDFLTKR-IAGOWNOFSA-N -1 3 294.354 3.425 20 30 CGEDHM Cc1cc(C)c(C/N=C\c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000745624596 572827681 /nfs/dbraw/zinc/82/76/81/572827681.db2.gz LUEXIVNBLBGWAN-OCKHKDLRSA-N -1 3 298.386 3.132 20 30 CGEDHM CCOc1ccc(/C=N\[C@@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC000745976959 572845815 /nfs/dbraw/zinc/84/58/15/572845815.db2.gz POPHAPQJZXUQNF-BMQZRQAQSA-N -1 3 291.391 3.413 20 30 CGEDHM CCO[C@H](CC/N=C/c1c([O-])cccc1OC)C(C)C ZINC000746391838 572868770 /nfs/dbraw/zinc/86/87/70/572868770.db2.gz BWCOYUGKVPCHJJ-QAEAHILHSA-N -1 3 279.380 3.271 20 30 CGEDHM COC[C@H](Cc1ccccc1)/N=C/c1c([O-])cccc1OC ZINC000746815329 572896897 /nfs/dbraw/zinc/89/68/97/572896897.db2.gz HDDQQOKOWJCGCI-UZUMKDMXSA-N -1 3 299.370 3.077 20 30 CGEDHM [O-]c1ccccc1/C=N\C[C@@H]1COc2ccccc2C1 ZINC000747713398 572942887 /nfs/dbraw/zinc/94/28/87/572942887.db2.gz VLGOBHSQGQGZEJ-NCUBORBFSA-N -1 3 267.328 3.062 20 30 CGEDHM [O-]c1ccccc1/C=N\CCc1cc(F)cc(F)c1 ZINC000748584409 572980798 /nfs/dbraw/zinc/98/07/98/572980798.db2.gz PVWVWPCEQSGHOP-ZDLGFXPLSA-N -1 3 261.271 3.332 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCSC1 ZINC000790598834 629218369 /nfs/dbraw/zinc/21/83/69/629218369.db2.gz PKBQOGRXSZJJCU-UGHKADQRSA-N -1 3 255.770 3.218 20 30 CGEDHM CC1(C)CCCC(=Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820590630 606860151 /nfs/dbraw/zinc/86/01/51/606860151.db2.gz XKWGVTZBDPPEMZ-JLHYYAGUSA-N -1 3 282.347 3.029 20 30 CGEDHM CC1(C)CCCC(=Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820590630 606860152 /nfs/dbraw/zinc/86/01/52/606860152.db2.gz XKWGVTZBDPPEMZ-JLHYYAGUSA-N -1 3 282.347 3.029 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826281574 607884198 /nfs/dbraw/zinc/88/41/98/607884198.db2.gz ZXNQOTBQJIEYJV-FPLPWBNLSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000826281574 607884199 /nfs/dbraw/zinc/88/41/99/607884199.db2.gz ZXNQOTBQJIEYJV-FPLPWBNLSA-N -1 3 296.355 3.133 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(C(C)(C)C)oc1C ZINC000900036964 620749841 /nfs/dbraw/zinc/74/98/41/620749841.db2.gz CXMLMWLRXZNETB-CYBMUJFWSA-N -1 3 279.380 3.395 20 30 CGEDHM Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)no1 ZINC000900091780 620761061 /nfs/dbraw/zinc/76/10/61/620761061.db2.gz NGGLMZBCSSELTH-UHFFFAOYSA-N -1 3 282.299 3.168 20 30 CGEDHM O=C(c1cccc2cnccc21)N([O-])Cc1ccc(F)cc1 ZINC000900095408 620761424 /nfs/dbraw/zinc/76/14/24/620761424.db2.gz CCRYTHYOALFWIO-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM C[C@H]1C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096837 620762123 /nfs/dbraw/zinc/76/21/23/620762123.db2.gz QVPGPJOTFYFRDC-CPCISQLKSA-N -1 3 274.147 3.367 20 30 CGEDHM COC(=O)[C@H](C/N=C\c1cc(Cl)ccc1[O-])CC(C)C ZINC000255694031 618778619 /nfs/dbraw/zinc/77/86/19/618778619.db2.gz FOHRQXPXYMRVRL-OYZNXWOWSA-N -1 3 297.782 3.300 20 30 CGEDHM CCC(CC)(C/N=C\c1cc(Cl)ccc1[O-])C(=O)OC ZINC000255911155 618878231 /nfs/dbraw/zinc/87/82/31/618878231.db2.gz TWVHOODNHIHLRY-MFOYZWKCSA-N -1 3 297.782 3.444 20 30 CGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cncs1 ZINC000767723490 625370021 /nfs/dbraw/zinc/37/00/21/625370021.db2.gz VMYXXXLZNZCZEB-WDTYERQASA-N -1 3 275.304 3.371 20 30 CGEDHM N#Cc1ccccc1/C=C/C(=O)Nc1cccc([O-])c1F ZINC000179149476 620349790 /nfs/dbraw/zinc/34/97/90/620349790.db2.gz MTFXIGWSVSPDJP-CMDGGOBGSA-N -1 3 282.274 3.055 20 30 CGEDHM N#CC1(CCCC[S@](=O)c2ccc([O-])cc2)CCC1 ZINC000899278953 620634982 /nfs/dbraw/zinc/63/49/82/620634982.db2.gz WPZYXZFCBLRMRN-IBGZPJMESA-N -1 3 277.389 3.364 20 30 CGEDHM COCCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370134 620865711 /nfs/dbraw/zinc/86/57/11/620865711.db2.gz SNLIVODTJCZEDJ-UHFFFAOYSA-N -1 3 287.359 3.374 20 30 CGEDHM O=C(CC1CCOCC1)N([O-])Cc1cccc2ccccc21 ZINC000901369800 620866027 /nfs/dbraw/zinc/86/60/27/620866027.db2.gz HVDASBKZHLTYAO-UHFFFAOYSA-N -1 3 299.370 3.374 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000901372168 620866722 /nfs/dbraw/zinc/86/67/22/620866722.db2.gz SUMAEYLAEXGJQQ-NSHDSACASA-N -1 3 291.297 3.486 20 30 CGEDHM C[C@H]1CCC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901375480 620867918 /nfs/dbraw/zinc/86/79/18/620867918.db2.gz IVPDGKMQKXUNEX-WCQYABFASA-N -1 3 265.328 3.370 20 30 CGEDHM CCCC[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376365 620868418 /nfs/dbraw/zinc/86/84/18/620868418.db2.gz RNFHFOUNFFEVEW-LLVKDONJSA-N -1 3 253.317 3.370 20 30 CGEDHM CC[C@H](NCC1(C#N)CC1)c1cccc(Cl)c1[O-] ZINC000903106440 621580360 /nfs/dbraw/zinc/58/03/60/621580360.db2.gz QKUZRKZNUVIBRL-LBPRGKRZSA-N -1 3 264.756 3.390 20 30 CGEDHM C=CCCCN(CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000903960926 621837796 /nfs/dbraw/zinc/83/77/96/621837796.db2.gz HVJNDYBQLCDXEM-UHFFFAOYSA-N -1 3 292.335 3.081 20 30 CGEDHM O=C([C@@H]1CC12CCSCC2)N([O-])Cc1ccc(F)cc1 ZINC000904177699 621885792 /nfs/dbraw/zinc/88/57/92/621885792.db2.gz LWTMEBACZADRJO-ZDUSSCGKSA-N -1 3 295.379 3.077 20 30 CGEDHM C=CCC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177546 621885799 /nfs/dbraw/zinc/88/57/99/621885799.db2.gz GYDMPXRECUHSIX-UHFFFAOYSA-N -1 3 251.301 3.146 20 30 CGEDHM CCCSCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188307 621886134 /nfs/dbraw/zinc/88/61/34/621886134.db2.gz ALWNPTRJGCIFBV-UHFFFAOYSA-N -1 3 273.785 3.201 20 30 CGEDHM COCC(C)(C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904193679 621887359 /nfs/dbraw/zinc/88/73/59/621887359.db2.gz UKKXVTCGFQHTSO-UHFFFAOYSA-N -1 3 285.771 3.121 20 30 CGEDHM C[C@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CCO1 ZINC000904197581 621887944 /nfs/dbraw/zinc/88/79/44/621887944.db2.gz IALBBRPZXUNEOP-HOCLYGCPSA-N -1 3 291.391 3.042 20 30 CGEDHM O=C(CCC(F)F)N([O-])CCCCc1ccccc1 ZINC000904197409 621888056 /nfs/dbraw/zinc/88/80/56/621888056.db2.gz CBTDZYLQZATPRO-UHFFFAOYSA-N -1 3 271.307 3.272 20 30 CGEDHM COCCC[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904197503 621888085 /nfs/dbraw/zinc/88/80/85/621888085.db2.gz FTNMTIZFHTTYPA-OAHLLOKOSA-N -1 3 293.407 3.290 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccs1)c1ccccn1 ZINC000046439287 622970411 /nfs/dbraw/zinc/97/04/11/622970411.db2.gz VFUOAICPZLKSFJ-SYTKJHMZSA-N -1 3 254.314 3.033 20 30 CGEDHM [O-]c1cccc(Cl)c1CN=Nc1nncc2ccccc21 ZINC000755491082 626626019 /nfs/dbraw/zinc/62/60/19/626626019.db2.gz LZOBMSYQCIZIDD-UHFFFAOYSA-N -1 3 298.733 3.435 20 30 CGEDHM CCOc1cc(C=NOCC(F)F)cc(Cl)c1[O-] ZINC000758899127 626864586 /nfs/dbraw/zinc/86/45/86/626864586.db2.gz FKSTZJVUBNXPDI-UHFFFAOYSA-N -1 3 279.670 3.060 20 30 CGEDHM C[C@@H]1CC(/N=C\c2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000767879640 627441031 /nfs/dbraw/zinc/44/10/31/627441031.db2.gz VYOHERBOOCNLTQ-MNTQQNHISA-N -1 3 267.756 3.421 20 30 CGEDHM C#CCN(C(=O)c1cccc(CC)c1[O-])C1CCCCC1 ZINC000769726396 627574840 /nfs/dbraw/zinc/57/48/40/627574840.db2.gz FMLNUKPZTQPWPX-UHFFFAOYSA-N -1 3 285.387 3.363 20 30 CGEDHM C=C(C)CN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000774093334 627944132 /nfs/dbraw/zinc/94/41/32/627944132.db2.gz QSTPKXOYQPOOPW-UHFFFAOYSA-N -1 3 261.346 3.255 20 30 CGEDHM CC(=NN=c1cc[n-]n1C)[C@H](C)c1nc2ccccc2s1 ZINC000774414655 627986909 /nfs/dbraw/zinc/98/69/09/627986909.db2.gz JAPVUIMIIAYVTL-JTQLQIEISA-N -1 3 299.403 3.043 20 30 CGEDHM CC(=NNCCC(C)(C)C)c1cc(F)ccc1[O-] ZINC000782907668 628666787 /nfs/dbraw/zinc/66/67/87/628666787.db2.gz MRYSOTPZVZYAGC-UHFFFAOYSA-N -1 3 252.333 3.281 20 30 CGEDHM Cc1cc(COC(=O)c2cc3occc3[n-]2)ccc1C#N ZINC000786029358 628907758 /nfs/dbraw/zinc/90/77/58/628907758.db2.gz MKXBMPLBPWLKGS-UHFFFAOYSA-N -1 3 280.283 3.298 20 30 CGEDHM N#CCc1ccc(COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786030830 628909072 /nfs/dbraw/zinc/90/90/72/628909072.db2.gz YIEDYDLIUSNSHX-UHFFFAOYSA-N -1 3 280.283 3.184 20 30 CGEDHM C#C[C@H](CCC)/N=C/c1cc(Br)ccc1[O-] ZINC000790100730 629183820 /nfs/dbraw/zinc/18/38/20/629183820.db2.gz XWRMGCVAEKDLGG-KMHUVPDISA-N -1 3 280.165 3.376 20 30 CGEDHM Cc1ccc([C@@H](C)CN=Nc2nc(C)cc(=O)[n-]2)cc1 ZINC000863062612 629465591 /nfs/dbraw/zinc/46/55/91/629465591.db2.gz FIHKDFOLUXCXPR-NSHDSACASA-N -1 3 270.336 3.000 20 30 CGEDHM CC[C@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CO1 ZINC000863125439 629480284 /nfs/dbraw/zinc/48/02/84/629480284.db2.gz WCPIWWRSNFJOOO-JTQLQIEISA-N -1 3 288.376 3.259 20 30 CGEDHM C[C@@H](NN=Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000794496329 629547638 /nfs/dbraw/zinc/54/76/38/629547638.db2.gz GLSCWHZTQDAJFU-SNVBAGLBSA-N -1 3 276.286 3.355 20 30 CGEDHM CC[C@@H]1C[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000797784755 629981708 /nfs/dbraw/zinc/98/17/08/629981708.db2.gz HMSXXZHWJWXTQM-QMGANUGASA-N -1 3 268.154 3.372 20 30 CGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(C)C ZINC000799044319 630136534 /nfs/dbraw/zinc/13/65/34/630136534.db2.gz BUVKSDIOUQSQKI-LBPRGKRZSA-N -1 3 285.721 3.206 20 30 CGEDHM C#C[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810594317 630899762 /nfs/dbraw/zinc/89/97/62/630899762.db2.gz AWWRAUYGHKUKLK-LURJTMIESA-N -1 3 253.710 3.061 20 30 CGEDHM N#CC(=C([O-])C=C1CCC1)c1cc(C(F)(F)F)ccn1 ZINC000813212675 631388824 /nfs/dbraw/zinc/38/88/24/631388824.db2.gz FEIAPLWPZORBMA-NSHDSACASA-N -1 3 280.249 3.387 20 30 CGEDHM CN(Cc1cc(Br)ccc1[O-])CC(C)(C)C#N ZINC000816632400 632028000 /nfs/dbraw/zinc/02/80/00/632028000.db2.gz HDNNLABKPIERHO-UHFFFAOYSA-N -1 3 297.196 3.136 20 30 CGEDHM CCN(Cc1cc(Cl)c(C)cc1[O-])C[C@@H](C)C#N ZINC000824596882 633263522 /nfs/dbraw/zinc/26/35/22/633263522.db2.gz JGOUFYYNPFJXPJ-JTQLQIEISA-N -1 3 266.772 3.336 20 30 CGEDHM Cc1cc([O-])c(C=NN[C@@H](C)C(F)(F)F)c(Cl)c1 ZINC000841639369 635206015 /nfs/dbraw/zinc/20/60/15/635206015.db2.gz BQNYIDYRJGEIRE-ZETCQYMHSA-N -1 3 280.677 3.228 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC3CCCC3)nc1-2 ZINC000842724267 635448876 /nfs/dbraw/zinc/44/88/76/635448876.db2.gz UTRCHTBZUJGXOS-KTRBRXNASA-N -1 3 294.358 3.189 20 30 CGEDHM C=C(C)CO[N-]C(=O)CC1CC(c2ccccc2)C1 ZINC000846533200 636193369 /nfs/dbraw/zinc/19/33/69/636193369.db2.gz BWCMXUMYLDFWOB-UHFFFAOYSA-N -1 3 259.349 3.194 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000846553338 636200895 /nfs/dbraw/zinc/20/08/95/636200895.db2.gz BBRBJAOFCIZRHH-VXGBXAGGSA-N -1 3 272.348 3.284 20 30 CGEDHM CC[C@@H](C)CON=c1cc(C#N)c(Br)c[n-]1 ZINC000882391151 636323732 /nfs/dbraw/zinc/32/37/32/636323732.db2.gz BFKDVHMAEYXBOQ-MRVPVSSYSA-N -1 3 284.157 3.105 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1C=CCC1 ZINC000849169435 636762066 /nfs/dbraw/zinc/76/20/66/636762066.db2.gz CLSXQIHPRDTKRI-KSSSLANASA-N -1 3 266.138 3.292 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1COC2(CCC2)C1 ZINC000849171703 636763934 /nfs/dbraw/zinc/76/39/34/636763934.db2.gz DWQHFXGLJCVLLF-LUMBYOQCSA-N -1 3 265.740 3.176 20 30 CGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cc2n(n1)CCC2 ZINC000849243781 636775621 /nfs/dbraw/zinc/77/56/21/636775621.db2.gz OOUHMRHNJOZTCW-ZPBHHCQCSA-N -1 3 298.317 3.057 20 30 CGEDHM C=CCCO[N-]C(=O)CCCCOc1cccc(C)c1 ZINC000856030925 638287131 /nfs/dbraw/zinc/28/71/31/638287131.db2.gz XCPPYIRPUAWQNU-UHFFFAOYSA-N -1 3 277.364 3.168 20 30 CGEDHM C=CCCO[N-]C(=O)C1(Cc2ccccc2)CCC1 ZINC000856032546 638288587 /nfs/dbraw/zinc/28/85/87/638288587.db2.gz MFXKPYSZASWGPW-UHFFFAOYSA-N -1 3 259.349 3.023 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/CC1CCOCC1 ZINC000194613610 640545295 /nfs/dbraw/zinc/54/52/95/640545295.db2.gz DXSRMWAIYWRKDJ-OQLLNIDSSA-N -1 3 298.180 3.000 20 30 CGEDHM C=C(C)CN(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001253402980 806215736 /nfs/dbraw/zinc/21/57/36/806215736.db2.gz BSWLCBOBZYBGGT-UHFFFAOYSA-N -1 3 277.393 3.185 20 30 CGEDHM CCC[C@@H]1C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001161808111 806459071 /nfs/dbraw/zinc/45/90/71/806459071.db2.gz WHWPLYYHIRWSTN-ZYHUDNBSSA-N -1 3 267.756 3.494 20 30 CGEDHM CCCCCCN([O-])C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001161827251 806467414 /nfs/dbraw/zinc/46/74/14/806467414.db2.gz ZJHJGKAOOGJFCL-ZDUSSCGKSA-N -1 3 271.401 3.380 20 30 CGEDHM CCCCN([O-])C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC001161827225 806467484 /nfs/dbraw/zinc/46/74/84/806467484.db2.gz XYNVLNIDTVEHRO-UHFFFAOYSA-N -1 3 274.320 3.282 20 30 CGEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC001255081277 806537497 /nfs/dbraw/zinc/53/74/97/806537497.db2.gz SJFORZLTAQBOFV-UHFFFAOYSA-N -1 3 285.368 3.031 20 30 CGEDHM N#Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001244330201 803308813 /nfs/dbraw/zinc/30/88/13/803308813.db2.gz FUJUHIXRYUIHIA-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM N#Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001244330201 803308816 /nfs/dbraw/zinc/30/88/16/803308816.db2.gz FUJUHIXRYUIHIA-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM CC(C)(C#N)c1ccc(-c2c([O-])cccc2F)cn1 ZINC001245656975 803891154 /nfs/dbraw/zinc/89/11/54/803891154.db2.gz WSOLYQCSAATQJW-UHFFFAOYSA-N -1 3 256.280 3.394 20 30 CGEDHM C=CCO[N-]C(=O)CCc1ccc(-c2ccccc2)o1 ZINC001140879619 804540220 /nfs/dbraw/zinc/54/02/20/804540220.db2.gz JXYGOWHTFJLIDN-UHFFFAOYSA-N -1 3 271.316 3.113 20 30 CGEDHM N#Cc1cc(NC(=O)Cc2ccc(Cl)s2)ccc1[O-] ZINC001142244684 804706833 /nfs/dbraw/zinc/70/68/33/804706833.db2.gz RMRYYCWIKXMFIB-UHFFFAOYSA-N -1 3 292.747 3.160 20 30 CGEDHM N#Cc1sccc1Nc1cc(F)cc(F)c1[O-] ZINC001212479591 815035425 /nfs/dbraw/zinc/03/54/25/815035425.db2.gz HLCOUTPTFJJCAD-UHFFFAOYSA-N -1 3 252.245 3.347 20 30 CGEDHM C=CCCC1(CNC(=O)c2ccc(O)cc2[O-])CCCC1 ZINC001166527816 807048459 /nfs/dbraw/zinc/04/84/59/807048459.db2.gz FJGBJEWKGWZLMW-UHFFFAOYSA-N -1 3 289.375 3.354 20 30 CGEDHM C#CC1(NC(=O)c2ccc(C(C)C)cc2[O-])CCCC1 ZINC001153270534 805390180 /nfs/dbraw/zinc/39/01/80/805390180.db2.gz VKFQAQFXSFMKFR-UHFFFAOYSA-N -1 3 271.360 3.191 20 30 CGEDHM Cc1cc2[nH]c(C(=O)Nc3ccc([O-])c(C#N)c3)cc2s1 ZINC001154005714 805425607 /nfs/dbraw/zinc/42/56/07/805425607.db2.gz WUPLHELIAMOXNJ-UHFFFAOYSA-N -1 3 297.339 3.367 20 30 CGEDHM COc1cc(F)c(Nc2ccc([O-])c(C#N)c2)cc1F ZINC001174927135 809204227 /nfs/dbraw/zinc/20/42/27/809204227.db2.gz IRFLTEMFGZMBJL-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM COc1ccc(C#N)cc1Nc1c(F)ccc([O-])c1F ZINC001175267595 809330880 /nfs/dbraw/zinc/33/08/80/809330880.db2.gz BYQPDJMEXDTNPU-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM N#Cc1cccc(Nc2c(F)ccc([O-])c2F)c1F ZINC001175268644 809333235 /nfs/dbraw/zinc/33/32/35/809333235.db2.gz OXNVFUBLTFJVGW-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1F ZINC001176612248 809730476 /nfs/dbraw/zinc/73/04/76/809730476.db2.gz CWPLSQJNKVLNKE-UHFFFAOYSA-N -1 3 294.289 3.332 20 30 CGEDHM C=CC(C)(C)CCCNC(=O)c1ccc(C)cc1[O-] ZINC001177118877 809781867 /nfs/dbraw/zinc/78/18/67/809781867.db2.gz RTXYQKHCIPSZOJ-UHFFFAOYSA-N -1 3 261.365 3.423 20 30 CGEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)ccc1[O-] ZINC001182285219 810102162 /nfs/dbraw/zinc/10/21/62/810102162.db2.gz JNOLUQRBCIRQEX-ZIAGYGMSSA-N -1 3 296.301 3.145 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC001184314657 810190451 /nfs/dbraw/zinc/19/04/51/810190451.db2.gz FEYSDCWPOWENMO-CYBMUJFWSA-N -1 3 299.411 3.152 20 30 CGEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(C)cn1 ZINC001187992486 810440240 /nfs/dbraw/zinc/44/02/40/810440240.db2.gz MBUPRYATSWRBTD-UHFFFAOYSA-N -1 3 284.425 3.492 20 30 CGEDHM C=CCC1(S(=O)(=O)[N-]c2c(F)cccc2OCC)CC1 ZINC001190815264 810650969 /nfs/dbraw/zinc/65/09/69/810650969.db2.gz IBDANVCYODZQMV-UHFFFAOYSA-N -1 3 299.367 3.075 20 30 CGEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1[C@@H](C)CC2(C)C ZINC001193148518 810861056 /nfs/dbraw/zinc/86/10/56/810861056.db2.gz AQVGEGZWKVAWNF-QWRGUYRKSA-N -1 3 292.404 3.125 20 30 CGEDHM COc1cccc([O-])c1NC(=S)Nc1cccc(C#N)c1 ZINC001197716943 811448611 /nfs/dbraw/zinc/44/86/11/811448611.db2.gz QTNFIFIRYFTEFL-UHFFFAOYSA-N -1 3 299.355 3.081 20 30 CGEDHM N#Cc1cccc(NC(=S)Nc2ccc([O-])c(F)c2)c1 ZINC001197712770 811448932 /nfs/dbraw/zinc/44/89/32/811448932.db2.gz VSPVDMDNJJJPHA-UHFFFAOYSA-N -1 3 287.319 3.212 20 30 CGEDHM CC(=O)c1cc(Nc2c([O-])cccc2C#N)cs1 ZINC001214786764 815451946 /nfs/dbraw/zinc/45/19/46/815451946.db2.gz AONSZESEZOSSLJ-UHFFFAOYSA-N -1 3 258.302 3.272 20 30 CGEDHM N#Cc1ccc(C(F)(F)F)cc1Nc1cncc([O-])c1 ZINC001201640752 811928426 /nfs/dbraw/zinc/92/84/26/811928426.db2.gz DONHCMSOCAPIJE-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM CC(C)c1ccc(NC(=O)[N-]c2oncc2C#N)cc1 ZINC001202915607 812199095 /nfs/dbraw/zinc/19/90/95/812199095.db2.gz FBSLEXLFEXNFIR-UHFFFAOYSA-N -1 3 270.292 3.314 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001205086457 812854989 /nfs/dbraw/zinc/85/49/89/812854989.db2.gz VJVTVHZPKRREMD-UHFFFAOYSA-N -1 3 290.225 3.329 20 30 CGEDHM Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c2cn[nH]c21 ZINC001215758649 815579206 /nfs/dbraw/zinc/57/92/06/815579206.db2.gz BEEQQNDOMRICMM-UHFFFAOYSA-N -1 3 282.278 3.331 20 30 CGEDHM N#Cc1cc(-c2ccc([O-])cc2F)nc(C(F)(F)F)c1 ZINC001206029758 813171662 /nfs/dbraw/zinc/17/16/62/813171662.db2.gz IEXJZGKVQQEHFY-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM Cc1c[nH]c2ncc(Nc3cc(C#N)ccc3[O-])cc12 ZINC001206049928 813181872 /nfs/dbraw/zinc/18/18/72/813181872.db2.gz QTTZJHMPSUQAFY-UHFFFAOYSA-N -1 3 264.288 3.192 20 30 CGEDHM Cc1cc(O)cc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001206255802 813257397 /nfs/dbraw/zinc/25/73/97/813257397.db2.gz PPXMJQXXBXCYSB-MSUUIHNZSA-N -1 3 253.301 3.492 20 30 CGEDHM N#Cc1ccc2c(c1)CN(Cc1c(F)ccc([O-])c1F)C2 ZINC001206457160 813326490 /nfs/dbraw/zinc/32/64/90/813326490.db2.gz SZYZWVJVEKEJAA-UHFFFAOYSA-N -1 3 286.281 3.058 20 30 CGEDHM COc1ccc(C)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001209840234 814158351 /nfs/dbraw/zinc/15/83/51/814158351.db2.gz HVLLAESELYIGRQ-UHFFFAOYSA-N -1 3 254.289 3.325 20 30 CGEDHM COc1c(F)cccc1Nc1cc(C#N)ccc1[O-] ZINC001210409335 814449903 /nfs/dbraw/zinc/44/99/03/814449903.db2.gz DJLRCPQWYFYDIU-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1cc(Nc2ccc(C#N)c3ncccc23)ccc1[O-] ZINC001210536507 814513776 /nfs/dbraw/zinc/51/37/76/814513776.db2.gz QYQLBJIGQAIKCX-UHFFFAOYSA-N -1 3 286.294 3.427 20 30 CGEDHM Cc1cc(-c2cc(/C=N/[O-])ccc2F)ccc1C#N ZINC001242768347 823127415 /nfs/dbraw/zinc/12/74/15/823127415.db2.gz UUEPWOXKRWIFTO-GIJQJNRQSA-N -1 3 254.264 3.481 20 30 CGEDHM COc1cc(C#N)c(F)cc1Nc1ccc(F)c([O-])c1 ZINC001211220485 814853947 /nfs/dbraw/zinc/85/39/47/814853947.db2.gz LUZFGSVSNLPTFE-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM Cc1cc(Nc2cc(C#N)ccc2[O-])cc(C)c1CO ZINC001216122350 815705018 /nfs/dbraw/zinc/70/50/18/815705018.db2.gz BZYQDWXQHRTFKW-UHFFFAOYSA-N -1 3 268.316 3.117 20 30 CGEDHM N#Cc1c(Cl)cccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001216124934 815707560 /nfs/dbraw/zinc/70/75/60/815707560.db2.gz HIJCPFXYPWGCLX-UHFFFAOYSA-N -1 3 286.722 3.328 20 30 CGEDHM CCc1cc(Nc2ccc([O-])c(C#N)c2)ccc1C#N ZINC001216316549 815778576 /nfs/dbraw/zinc/77/85/76/815778576.db2.gz JWSCVZUAZIUXJP-UHFFFAOYSA-N -1 3 263.300 3.442 20 30 CGEDHM C=CCCCCC[C@H](N)C(=O)Nc1ccccc1[S-] ZINC001218829894 816254137 /nfs/dbraw/zinc/25/41/37/816254137.db2.gz AYNLFUIELGJDRU-LBPRGKRZSA-N -1 3 278.421 3.378 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCc3cc(F)ccc32)[n-]1 ZINC001225468635 817062292 /nfs/dbraw/zinc/06/22/92/817062292.db2.gz BVZCYUMLOPASFI-OAHLLOKOSA-N -1 3 284.290 3.173 20 30 CGEDHM C=C[C@H](CCCC)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225576401 817097765 /nfs/dbraw/zinc/09/77/65/817097765.db2.gz HYEWUBMPXVBCRC-MRVPVSSYSA-N -1 3 276.258 3.325 20 30 CGEDHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1C#N ZINC001225740031 817162553 /nfs/dbraw/zinc/16/25/53/817162553.db2.gz AQUBRZNAVTYAHL-JTQLQIEISA-N -1 3 271.345 3.085 20 30 CGEDHM CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=S)ncc1C ZINC001225741597 817163755 /nfs/dbraw/zinc/16/37/55/817163755.db2.gz YKVACJRLPVYKQH-CQSZACIVSA-N -1 3 284.384 3.283 20 30 CGEDHM CCCCOC[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114797 817277144 /nfs/dbraw/zinc/27/71/44/817277144.db2.gz QLSFEQZLAZXWJL-XBUHWIKASA-N -1 3 251.326 3.079 20 30 CGEDHM C[C@@H](C#C[Si](C)(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118331 817278537 /nfs/dbraw/zinc/27/85/37/817278537.db2.gz DHKRDLBQRIPQHS-JTQLQIEISA-N -1 3 292.480 3.291 20 30 CGEDHM Cc1ccc([C@H](C)Oc2nccc(/C=N/[O-])n2)c(C)c1 ZINC001226256413 817313057 /nfs/dbraw/zinc/31/30/57/817313057.db2.gz RLNJCSJBLHPXHP-UWONZBIMSA-N -1 3 271.320 3.042 20 30 CGEDHM C=C[C@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531683 817390076 /nfs/dbraw/zinc/39/00/76/817390076.db2.gz DWFLSKGWRGQDKJ-SNVBAGLBSA-N -1 3 260.289 3.150 20 30 CGEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2ccnc(=S)[n-]2)C1 ZINC001226939882 817511586 /nfs/dbraw/zinc/51/15/86/817511586.db2.gz JWCJQFUGYAYQKF-VXGBXAGGSA-N -1 3 262.378 3.445 20 30 CGEDHM CC#CC[C@H](CC)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227585337 817676572 /nfs/dbraw/zinc/67/65/72/817676572.db2.gz YQXPUTATCZJIJF-JTQLQIEISA-N -1 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CGEDHM C=CCn1c(SC[C@@H]2CCC[C@H](C)C2)n[n-]c1=O ZINC000354505099 346541477 /nfs/dbraw/zinc/54/14/77/346541477.db2.gz JJHXJICPDFFCIO-WDEREUQCSA-N -1 3 267.398 3.088 20 30 CGEDHM C=CC[C@@H]1N(C(=O)c2cccc3[n-]nnc32)CCCC1(C)C ZINC000584759197 346712265 /nfs/dbraw/zinc/71/22/65/346712265.db2.gz BTQKMQLKTRBRIX-AWEZNQCLSA-N -1 3 298.390 3.165 20 30 CGEDHM C=CC[C@@H]1N(C(=O)c2cccc3nn[n-]c32)CCCC1(C)C ZINC000584759197 346712269 /nfs/dbraw/zinc/71/22/69/346712269.db2.gz BTQKMQLKTRBRIX-AWEZNQCLSA-N -1 3 298.390 3.165 20 30 CGEDHM C=CC[C@@H]1N(C(=O)c2cccc3n[n-]nc32)CCCC1(C)C ZINC000584759197 346712273 /nfs/dbraw/zinc/71/22/73/346712273.db2.gz BTQKMQLKTRBRIX-AWEZNQCLSA-N -1 3 298.390 3.165 20 30 CGEDHM Cc1conc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000602297484 347946254 /nfs/dbraw/zinc/94/62/54/347946254.db2.gz OTAVJLDXOCIFMY-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2coc(C3CC3)n2)s1 ZINC000614400813 348674147 /nfs/dbraw/zinc/67/41/47/348674147.db2.gz 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377717339 /nfs/dbraw/zinc/71/73/39/377717339.db2.gz VYGJJPKVKWJJDL-VURMDHGXSA-N -1 3 278.311 3.224 20 30 CGEDHM Cc1occc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000345379356 378272779 /nfs/dbraw/zinc/27/27/79/378272779.db2.gz QKBBWQPRYWKADM-GFCCVEGCSA-N -1 3 279.299 3.263 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000408398944 380008994 /nfs/dbraw/zinc/00/89/94/380008994.db2.gz DHTYPQABABRQQB-HNNXBMFYSA-N -1 3 286.375 3.109 20 30 CGEDHM C=CCN(Cc1cccs1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411140173 380130725 /nfs/dbraw/zinc/13/07/25/380130725.db2.gz SPKDDBKQYKJXOG-GFCCVEGCSA-N -1 3 289.404 3.301 20 30 CGEDHM CC(C)COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354469464 380452045 /nfs/dbraw/zinc/45/20/45/380452045.db2.gz QXJTYWMJTKKEJI-OAHLLOKOSA-N -1 3 295.342 3.001 20 30 CGEDHM N#Cc1csc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417618821 380653907 /nfs/dbraw/zinc/65/39/07/380653907.db2.gz DIMPRRANUZGFQG-HUUCEWRRSA-N -1 3 298.367 3.023 20 30 CGEDHM CCc1nc(C(=O)[N-]c2sc(C)c(C)c2C#N)co1 ZINC000334914227 207284198 /nfs/dbraw/zinc/28/41/98/207284198.db2.gz YFAJLDCXDONLCE-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000292653369 392508338 /nfs/dbraw/zinc/50/83/38/392508338.db2.gz MRRQUDNZXXUGNF-MRVPVSSYSA-N -1 3 275.245 3.353 20 30 CGEDHM CCc1noc(C)c1[N-]C(=O)c1oc(C2CC2)nc1C ZINC000329542895 392687607 /nfs/dbraw/zinc/68/76/07/392687607.db2.gz XZSJYEGIMRYYSU-UHFFFAOYSA-N -1 3 275.308 3.356 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(C(F)(F)F)c1 ZINC000417631219 393350849 /nfs/dbraw/zinc/35/08/49/393350849.db2.gz VRHSAUUEEMYHKJ-LBPRGKRZSA-N -1 3 287.281 3.214 20 30 CGEDHM C=CCCCCCN(C)Cc1occc1C(=O)[O-] ZINC000736098233 572768810 /nfs/dbraw/zinc/76/88/10/572768810.db2.gz XGHRAPUETWXIIR-UHFFFAOYSA-N -1 3 251.326 3.156 20 30 CGEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cccc(C#N)c2)n1 ZINC000121804481 287203693 /nfs/dbraw/zinc/20/36/93/287203693.db2.gz CUPOWABUVRTCRK-SNVBAGLBSA-N -1 3 271.345 3.216 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])cc1F ZINC000659801663 418995534 /nfs/dbraw/zinc/99/55/34/418995534.db2.gz JKWWEKPUSPRNIL-OKILXGFUSA-N -1 3 275.323 3.207 20 30 CGEDHM C=CC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000664193668 419857185 /nfs/dbraw/zinc/85/71/85/419857185.db2.gz WWANLIMFIRLBOV-GFCCVEGCSA-N -1 3 292.354 3.029 20 30 CGEDHM [O-]c1ccccc1/C=N/C1CCC(O)(c2cccnc2)CC1 ZINC000184531633 262022160 /nfs/dbraw/zinc/02/21/60/262022160.db2.gz DJDYLFUHYZIYKN-UDWIEESQSA-N -1 3 296.370 3.037 20 30 CGEDHM CC(C)C[C@H]1OCCC[C@@H]1/N=C/c1ccccc1[O-] ZINC000186848211 262112825 /nfs/dbraw/zinc/11/28/25/262112825.db2.gz COMWNLRRQSTTOY-BFXBNRQGSA-N -1 3 261.365 3.405 20 30 CGEDHM CCCOc1ccc(/C=N/[C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000277417355 263041010 /nfs/dbraw/zinc/04/10/10/263041010.db2.gz OYTFIOFMGJCIRP-ZFSZNTNNSA-N -1 3 277.364 3.025 20 30 CGEDHM CC(C)CCN(CCC#N)C(=O)c1cc([O-])ccc1Cl ZINC000277641967 263042745 /nfs/dbraw/zinc/04/27/45/263042745.db2.gz KBXAIRKEWZPBDV-UHFFFAOYSA-N -1 3 294.782 3.448 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccnn2C(C)C)ccc1[O-] ZINC000279961928 263058543 /nfs/dbraw/zinc/05/85/43/263058543.db2.gz CENZMEWPIMJUMJ-FNORWQNLSA-N -1 3 286.331 3.074 20 30 CGEDHM C[C@@H](C#N)CN(C)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290387971 263116463 /nfs/dbraw/zinc/11/64/63/263116463.db2.gz JDEQBUYUQWZYPL-VIFPVBQESA-N -1 3 272.270 3.002 20 30 CGEDHM CCCOc1ccc(/C=N/C[C@@H]2CCCCO2)c([O-])c1 ZINC000299220752 263235720 /nfs/dbraw/zinc/23/57/20/263235720.db2.gz SELGLYMCJKMTGM-VUVCFOEZSA-N -1 3 277.364 3.169 20 30 CGEDHM C=CCC[C@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000187877438 263285815 /nfs/dbraw/zinc/28/58/15/263285815.db2.gz BTWRJHXBJNJSKK-AWEZNQCLSA-N -1 3 282.343 3.476 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2csc(C(C)(C)C)n2)n1 ZINC000330817608 264046108 /nfs/dbraw/zinc/04/61/08/264046108.db2.gz MGNAINNDKBIAHQ-UHFFFAOYSA-N -1 3 291.376 3.486 20 30 CGEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc1[O-] ZINC000331327510 264191183 /nfs/dbraw/zinc/19/11/83/264191183.db2.gz GPKZNUDYTVQQKB-SNVBAGLBSA-N -1 3 297.301 3.335 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)cn2)c([O-])c1 ZINC000582288561 328950710 /nfs/dbraw/zinc/95/07/10/328950710.db2.gz LZJNVJIYENZZFG-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM C=CCN(Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000179982619 329213279 /nfs/dbraw/zinc/21/32/79/329213279.db2.gz ZCNLPGOVQWMIPK-UHFFFAOYSA-N -1 3 263.234 3.082 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190955376 329403467 /nfs/dbraw/zinc/40/34/67/329403467.db2.gz OIRBJVUKXQWZEN-CQSZACIVSA-N -1 3 287.322 3.428 20 30 CGEDHM C=CCC1(NC(=O)Cc2ccc([O-])c(F)c2)CCCCC1 ZINC000456362135 331190915 /nfs/dbraw/zinc/19/09/15/331190915.db2.gz GNXHQEMTAFFXOW-UHFFFAOYSA-N -1 3 291.366 3.469 20 30 CGEDHM C=CCC1(CNC(=O)c2cccc([O-])c2)CCCC1 ZINC000456490829 331194228 /nfs/dbraw/zinc/19/42/28/331194228.db2.gz YJBCFXLXJFUXDJ-UHFFFAOYSA-N -1 3 259.349 3.259 20 30 CGEDHM C=CCCCCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000516876154 333085166 /nfs/dbraw/zinc/08/51/66/333085166.db2.gz OOGILTTXSOWWIT-UHFFFAOYSA-N -1 3 280.343 3.077 20 30 CGEDHM COc1cc(Cl)cc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000344751989 533952943 /nfs/dbraw/zinc/95/29/43/533952943.db2.gz WUEFAZOGFVJVHD-CYBMUJFWSA-N -1 3 286.718 3.234 20 30 CGEDHM CCOc1ccc(/C=N/CCOC(C)(C)C)c([O-])c1 ZINC000746682108 572891506 /nfs/dbraw/zinc/89/15/06/572891506.db2.gz PZSITPGCMXXMKD-LFIBNONCSA-N -1 3 265.353 3.025 20 30 CGEDHM CCOc1cc(/C=C/c2ncccc2C#N)ccc1[O-] ZINC000436935676 528194867 /nfs/dbraw/zinc/19/48/67/528194867.db2.gz WXABHRXEYRHPML-FNORWQNLSA-N -1 3 266.300 3.228 20 30 CGEDHM CCCOC1(CNC(=O)c2csc(=O)[n-]2)CCCCC1 ZINC000329985282 528581924 /nfs/dbraw/zinc/58/19/24/528581924.db2.gz QZEWQRGXNQFMIZ-UHFFFAOYSA-N -1 3 298.408 3.283 20 30 CGEDHM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc([O-])cc1F ZINC000729931475 571937073 /nfs/dbraw/zinc/93/70/73/571937073.db2.gz HOBNNEALOUQTJU-UHFFFAOYSA-N -1 3 289.266 3.276 20 30 CGEDHM CCOc1ccc(C#N)cc1NC(=O)c1cc2occc2[n-]1 ZINC000750854412 572329886 /nfs/dbraw/zinc/32/98/86/572329886.db2.gz NJLRBFGDMVJTFZ-UHFFFAOYSA-N -1 3 295.298 3.284 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@H](C)Cc1c(C)noc1C ZINC000737442245 572343729 /nfs/dbraw/zinc/34/37/29/572343729.db2.gz ATSYYKCECXUIRI-LGQZLYSRSA-N -1 3 288.347 3.056 20 30 CGEDHM N#Cc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000739117538 572402946 /nfs/dbraw/zinc/40/29/46/572402946.db2.gz GIEHPUNYQLVNOA-QGZVFWFLSA-N -1 3 294.354 3.254 20 30 CGEDHM [O-]c1ccccc1/C=N\CCc1cccc(F)c1F ZINC000732714377 572478816 /nfs/dbraw/zinc/47/88/16/572478816.db2.gz YLPVAQBGYUWVLU-ZDLGFXPLSA-N -1 3 261.271 3.332 20 30 CGEDHM C[C@@H]1CC[C@H](/N=C\c2ccc(O)c([O-])c2O)[C@@H](C)C1 ZINC000733080845 572507093 /nfs/dbraw/zinc/50/70/93/572507093.db2.gz DAIYJDLRBPPLCZ-TZXVRMOQSA-N -1 3 263.337 3.047 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000735208068 572708857 /nfs/dbraw/zinc/70/88/57/572708857.db2.gz WGXILSLOUOZNBO-IDTUSYRASA-N -1 3 284.359 3.253 20 30 CGEDHM CC[C@](NCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000736918558 572825158 /nfs/dbraw/zinc/82/51/58/572825158.db2.gz UJGCLHLMEZQCKA-GOSISDBHSA-N -1 3 294.354 3.038 20 30 CGEDHM COc1cccc2cc(C([O-])=C(C#N)c3ccccn3)oc21 ZINC000078727661 572880427 /nfs/dbraw/zinc/88/04/27/572880427.db2.gz GITVKFDJCIEJMX-LBPRGKRZSA-N -1 3 292.294 3.326 20 30 CGEDHM CSc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000747706956 572942203 /nfs/dbraw/zinc/94/22/03/572942203.db2.gz AGNCWBWUAHYGBE-UHFFFAOYSA-N -1 3 288.372 3.060 20 30 CGEDHM CC(C)=CCCC(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820004835 607253803 /nfs/dbraw/zinc/25/38/03/607253803.db2.gz FKKDDIPPRLBWSV-UHFFFAOYSA-N -1 3 298.394 3.079 20 30 CGEDHM CC(C)=CCCC(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820004835 607253804 /nfs/dbraw/zinc/25/38/04/607253804.db2.gz FKKDDIPPRLBWSV-UHFFFAOYSA-N -1 3 298.394 3.079 20 30 CGEDHM C[C@@H]1CCC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901375481 620868141 /nfs/dbraw/zinc/86/81/41/620868141.db2.gz IVPDGKMQKXUNEX-YPMHNXCESA-N -1 3 265.328 3.370 20 30 CGEDHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(C#N)n2)CC)n1 ZINC000899371544 620679766 /nfs/dbraw/zinc/67/97/66/620679766.db2.gz HIXBACWBXHAFBD-XFXZXTDPSA-N -1 3 294.358 3.352 20 30 CGEDHM C=CC[C@@H](C)N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833369813 605356485 /nfs/dbraw/zinc/35/64/85/605356485.db2.gz FREYWKRIDMZEKK-PRHODGIISA-N -1 3 271.719 3.159 20 30 CGEDHM C=C(CC)CSCc1cccc(-c2nnn[n-]2)c1F ZINC000823883025 608405232 /nfs/dbraw/zinc/40/52/32/608405232.db2.gz IWFLMFMJVLYSNK-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=C(CC)CSCc1cccc(-c2nn[n-]n2)c1F ZINC000823883025 608405235 /nfs/dbraw/zinc/40/52/35/608405235.db2.gz IWFLMFMJVLYSNK-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=CCCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823894208 608588605 /nfs/dbraw/zinc/58/86/05/608588605.db2.gz KBGSFYXVGIWFKB-NSHDSACASA-N -1 3 257.341 3.023 20 30 CGEDHM O=C(c1cocn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096372 620762021 /nfs/dbraw/zinc/76/20/21/620762021.db2.gz BLBULYUTPFLMMR-UHFFFAOYSA-N -1 3 287.102 3.013 20 30 CGEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000255168214 618026301 /nfs/dbraw/zinc/02/63/01/618026301.db2.gz AIIJKOFYVYNWQO-HUUTXYLISA-N -1 3 283.755 3.195 20 30 CGEDHM C[C@H](NCC1(C#N)CCCC1)c1cc([O-])cc(F)c1 ZINC000926874873 618960706 /nfs/dbraw/zinc/96/07/06/618960706.db2.gz VEEBCPIEZNVAQH-NSHDSACASA-N -1 3 262.328 3.266 20 30 CGEDHM C=CCCCN(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000893114102 618998222 /nfs/dbraw/zinc/99/82/22/618998222.db2.gz RCZVLQRSGJKNMA-UHFFFAOYSA-N -1 3 280.343 3.029 20 30 CGEDHM Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c([O-])c1 ZINC000182150824 619033333 /nfs/dbraw/zinc/03/33/33/619033333.db2.gz KKVPPRIRVVJDDG-LBPRGKRZSA-N -1 3 296.326 3.244 20 30 CGEDHM [O-]c1cc(Cl)cc(C=NOCCC(F)(F)F)c1 ZINC000901223029 620847294 /nfs/dbraw/zinc/84/72/94/620847294.db2.gz YIYOBOMLHWTKHJ-UHFFFAOYSA-N -1 3 267.634 3.349 20 30 CGEDHM O=C(c1ccc[nH]1)N([O-])Cc1cccc2ccccc21 ZINC000901370228 620865470 /nfs/dbraw/zinc/86/54/70/620865470.db2.gz BPUUCMRHPQIWIN-UHFFFAOYSA-N -1 3 266.300 3.200 20 30 CGEDHM O=C(N([O-])Cc1cccc2ccccc21)C12CC(C1)C2 ZINC000901370931 620865515 /nfs/dbraw/zinc/86/55/15/620865515.db2.gz IMLQSYRIEDPMDS-UHFFFAOYSA-N -1 3 267.328 3.358 20 30 CGEDHM CCc1cccc(CC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901371991 620866663 /nfs/dbraw/zinc/86/66/63/620866663.db2.gz LXSLYYRAUIUEAL-UHFFFAOYSA-N -1 3 287.334 3.349 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374077 620868286 /nfs/dbraw/zinc/86/82/86/620868286.db2.gz DAWNVBDZKCGQIA-LBPRGKRZSA-N -1 3 273.307 3.347 20 30 CGEDHM O=C([C@@H]1CCCOCC1)N([O-])Cc1cccc2ccccc21 ZINC000904171582 621884221 /nfs/dbraw/zinc/88/42/21/621884221.db2.gz PPPHSYFDBXVRFW-OAHLLOKOSA-N -1 3 299.370 3.374 20 30 CGEDHM C=CCCOCCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173256 621884451 /nfs/dbraw/zinc/88/44/51/621884451.db2.gz HXVHTRFUIPLUPW-UHFFFAOYSA-N -1 3 295.354 3.307 20 30 CGEDHM CCCCN([O-])C(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000904209310 621886357 /nfs/dbraw/zinc/88/63/57/621886357.db2.gz YGZPPZSOGNADKQ-UHFFFAOYSA-N -1 3 293.363 3.066 20 30 CGEDHM CO[C@H]1CCC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193049 621887305 /nfs/dbraw/zinc/88/73/05/621887305.db2.gz JYGMBDUDKXJPGH-AAEUAGOBSA-N -1 3 297.782 3.263 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@H](C)c1ccncc1 ZINC000904204557 621889729 /nfs/dbraw/zinc/88/97/29/621889729.db2.gz ONBKDCKZCOCHDK-ZDUSSCGKSA-N -1 3 264.369 3.373 20 30 CGEDHM N#CC(=C([O-])C=CSCc1ccco1)c1ccccn1 ZINC000150927879 622695312 /nfs/dbraw/zinc/69/53/12/622695312.db2.gz NZIQCHBMIPOVNO-PPGNKHEKSA-N -1 3 284.340 3.298 20 30 CGEDHM Cc1ccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000917558217 624285248 /nfs/dbraw/zinc/28/52/48/624285248.db2.gz JWHYBWFUMDJLPQ-PCQWDSEFSA-N -1 3 298.386 3.385 20 30 CGEDHM Cc1ncc(CO)c(C=Nc2cccc(C(F)F)c2)c1[O-] ZINC000750949664 626371768 /nfs/dbraw/zinc/37/17/68/626371768.db2.gz HAWTYJYUCWPOLI-UHFFFAOYSA-N -1 3 292.285 3.276 20 30 CGEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(C(C)C)c2)c1[O-] ZINC000773908928 627927794 /nfs/dbraw/zinc/92/77/94/627927794.db2.gz XLQVFDAEXDLGFD-GRSHGNNSSA-N -1 3 298.386 3.330 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=CCCCCC3)nc1-2 ZINC000774104381 627945265 /nfs/dbraw/zinc/94/52/65/627945265.db2.gz IEUWCDVNEFGKCK-ZDUSSCGKSA-N -1 3 294.358 3.333 20 30 CGEDHM [O-]c1ccc(F)cc1C=NNc1cccc(Cl)n1 ZINC000793163042 629419808 /nfs/dbraw/zinc/41/98/08/629419808.db2.gz WIPCSWGPXSISAN-UHFFFAOYSA-N -1 3 265.675 3.026 20 30 CGEDHM S=c1[n-]c2ccccc2nc1N=NC[C@H]1CCCOC1 ZINC000863125447 629480448 /nfs/dbraw/zinc/48/04/48/629480448.db2.gz WPRUBCFEXPVFMQ-SNVBAGLBSA-N -1 3 288.376 3.117 20 30 CGEDHM COCC(C)(C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000793657158 629494208 /nfs/dbraw/zinc/49/42/08/629494208.db2.gz VVSGBYZZDTZTFL-VIZOYTHASA-N -1 3 255.745 3.137 20 30 CGEDHM CC(=NN=c1cc[n-]n1C)[C@H](C)c1ccc(Cl)cc1 ZINC000794534952 629551061 /nfs/dbraw/zinc/55/10/61/629551061.db2.gz PMTHSPMRWNSBMD-JTQLQIEISA-N -1 3 276.771 3.087 20 30 CGEDHM Cc1cccc(CC/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000794832642 629584371 /nfs/dbraw/zinc/58/43/71/629584371.db2.gz 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CGEDHM O=C(c1ccc(C(F)F)nc1)N([O-])Cc1ccc(F)cc1 ZINC001119554466 802678315 /nfs/dbraw/zinc/67/83/15/802678315.db2.gz BKDWWABSNUMSQE-UHFFFAOYSA-N -1 3 296.248 3.190 20 30 CGEDHM Cc1ccc(O)c(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001244405099 803354129 /nfs/dbraw/zinc/35/41/29/803354129.db2.gz KOEJZMWFIZMIFR-ICFOKQHNSA-N -1 3 253.301 3.492 20 30 CGEDHM N#Cc1c[nH]c2cc(-c3ccc(Cl)cc3[O-])cnc12 ZINC001244471026 803387913 /nfs/dbraw/zinc/38/79/13/803387913.db2.gz AADUKMNJQIERAL-UHFFFAOYSA-N -1 3 269.691 3.461 20 30 CGEDHM COC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)cc1CC#N ZINC001244526006 803418458 /nfs/dbraw/zinc/41/84/58/803418458.db2.gz XLIOTXRVWLNGTK-UHFFFAOYSA-N -1 3 299.301 3.359 20 30 CGEDHM N#Cc1c(Cl)cccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001244733853 803515104 /nfs/dbraw/zinc/51/51/04/803515104.db2.gz JMAAVALEPPRBIE-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM N#Cc1c(Cl)cccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001244733853 803515107 /nfs/dbraw/zinc/51/51/07/803515107.db2.gz JMAAVALEPPRBIE-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM COc1ccc(CC#N)cc1-c1c([O-])cccc1F ZINC001245653032 803884141 /nfs/dbraw/zinc/88/41/41/803884141.db2.gz INQCUXODTSKTLD-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM C=CCCCCN(C)Cc1c(F)cc([O-])cc1F ZINC001144558755 805003462 /nfs/dbraw/zinc/00/34/62/805003462.db2.gz CFWQIVNYIJXHGQ-UHFFFAOYSA-N -1 3 255.308 3.459 20 30 CGEDHM COc1cc(C#N)cc(Nc2c([O-])cccc2F)c1 ZINC001249995705 805353515 /nfs/dbraw/zinc/35/35/15/805353515.db2.gz AREQHLXDVIRBPZ-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM COc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1 ZINC001174211321 808902464 /nfs/dbraw/zinc/90/24/64/808902464.db2.gz WQPKNUWNLBEIGD-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM CCOC(=O)c1ccccc1Nc1cc(C#N)ccc1[O-] ZINC001213175429 815251118 /nfs/dbraw/zinc/25/11/18/815251118.db2.gz XVOHXERUVPHPLC-UHFFFAOYSA-N -1 3 282.299 3.184 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc3c(c2)CCCO3)c1 ZINC001174721557 809142511 /nfs/dbraw/zinc/14/25/11/809142511.db2.gz SBCNHZNEAYZBFJ-UHFFFAOYSA-N -1 3 266.300 3.332 20 30 CGEDHM 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CC1(C)CC[C@H](C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001185172403 810240817 /nfs/dbraw/zinc/24/08/17/810240817.db2.gz IEJLUORCVHSJRX-JTQLQIEISA-N -1 3 258.321 3.029 20 30 CGEDHM Cc1cccc([O-])c1C(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001188654713 810500579 /nfs/dbraw/zinc/50/05/79/810500579.db2.gz GLKUKYJQDIZCCJ-UHFFFAOYSA-N -1 3 294.354 3.237 20 30 CGEDHM CCCCCCCCNC(=O)Nc1cncc([O-])c1 ZINC001191051584 810667468 /nfs/dbraw/zinc/66/74/68/810667468.db2.gz VJFATEJRKLDRML-UHFFFAOYSA-N -1 3 265.357 3.269 20 30 CGEDHM CC(C)(C)c1ccc(C(=O)NCC(C)(C)S)c([O-])c1 ZINC001192335322 810787533 /nfs/dbraw/zinc/78/75/33/810787533.db2.gz GJELWIZVXDREAX-UHFFFAOYSA-N -1 3 281.421 3.128 20 30 CGEDHM CC(=O)c1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1F ZINC001214766958 815449238 /nfs/dbraw/zinc/44/92/38/815449238.db2.gz LCIMCVCHPZUBFN-UHFFFAOYSA-N -1 3 288.253 3.488 20 30 CGEDHM CCc1ccc(NC(=O)[N-]c2onc(C)c2C#N)cc1 ZINC001202931991 812203934 /nfs/dbraw/zinc/20/39/34/812203934.db2.gz GSIBRQABUPXVHQ-UHFFFAOYSA-N -1 3 270.292 3.061 20 30 CGEDHM N#Cc1ccc(C=CNc2ncc(Cl)cc2[O-])cc1 ZINC001203298456 812299625 /nfs/dbraw/zinc/29/96/25/812299625.db2.gz NFUXNDQJYMIUOT-AATRIKPKSA-N -1 3 271.707 3.395 20 30 CGEDHM CCCCN(CC#N)Cc1cc(Cl)ccc1[O-] ZINC001203663667 812421269 /nfs/dbraw/zinc/42/12/69/812421269.db2.gz CVALRUSIGWRNAI-UHFFFAOYSA-N -1 3 252.745 3.171 20 30 CGEDHM COc1cc(C#N)ccc1Nc1cc([O-])cc(F)c1 ZINC001206822829 813446568 /nfs/dbraw/zinc/44/65/68/813446568.db2.gz RSWZIWWQOFFYPE-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM COc1ccc(C#N)cc1Nc1cc([O-])cc(F)c1 ZINC001208126396 813699518 /nfs/dbraw/zinc/69/95/18/813699518.db2.gz UXFNITPCDDDPQN-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc3c(c2)OCCCO3)c1 ZINC001210003262 814238253 /nfs/dbraw/zinc/23/82/53/814238253.db2.gz JPJSQHLXCIUCJF-UHFFFAOYSA-N -1 3 282.299 3.169 20 30 CGEDHM N#Cc1cc(F)cc(F)c1Nc1cccc(F)c1[O-] ZINC001210203102 814338690 /nfs/dbraw/zinc/33/86/90/814338690.db2.gz YWGADGIDDRJHDT-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1ccc2c(c1)ncnc2-c1cc([O-])ccc1F ZINC001242760965 823124435 /nfs/dbraw/zinc/12/44/35/823124435.db2.gz JACDVKZQZPVZNC-UHFFFAOYSA-N -1 3 265.247 3.013 20 30 CGEDHM CC(=O)c1ccc(Nc2ccc([O-])c(C#N)c2)c(F)c1 ZINC001210532279 814512617 /nfs/dbraw/zinc/51/26/17/814512617.db2.gz FAUMVSKRUAFCRB-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM COc1cc(C#N)cnc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242780959 823130979 /nfs/dbraw/zinc/13/09/79/823130979.db2.gz ZKPWKMPOPJIEKE-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM COc1nccc(SC)c1Nc1cc(C#N)ccc1[O-] ZINC001215930823 815634629 /nfs/dbraw/zinc/63/46/29/815634629.db2.gz LJOPEFWHCPWXTM-UHFFFAOYSA-N -1 3 287.344 3.133 20 30 CGEDHM N#Cc1c(F)ccnc1-c1cc([O-])cc(OC(F)(F)F)c1 ZINC001242985917 823198789 /nfs/dbraw/zinc/19/87/89/823198789.db2.gz ATTUBPGWRBSVCN-UHFFFAOYSA-N -1 3 298.195 3.364 20 30 CGEDHM COc1ccc(O)cc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001222655807 816492768 /nfs/dbraw/zinc/49/27/68/816492768.db2.gz VZQNPXKCTVWIBV-MHWRWJLKSA-N -1 3 257.289 3.266 20 30 CGEDHM Cc1c(CO)cccc1-c1cc(/C=N/[O-])ccc1F ZINC001243016351 823211312 /nfs/dbraw/zinc/21/13/12/823211312.db2.gz AZFMTOAMCIKCCF-CAOOACKPSA-N -1 3 259.280 3.102 20 30 CGEDHM C#C[C@H](Oc1ccc2c([O-])coc2c1)c1ccccc1 ZINC001225342802 817018370 /nfs/dbraw/zinc/01/83/70/817018370.db2.gz LVLGYJWHRWCWJQ-INIZCTEOSA-N -1 3 264.280 3.015 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCc3cccc(C)c32)[n-]1 ZINC001225466726 817060723 /nfs/dbraw/zinc/06/07/23/817060723.db2.gz GKVWRLQOBICBRM-HNNXBMFYSA-N -1 3 280.327 3.342 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cccs2)[n-]1 ZINC001225467846 817062895 /nfs/dbraw/zinc/06/28/95/817062895.db2.gz YVOHRLCUJJDFBT-SECBINFHSA-N -1 3 260.318 3.169 20 30 CGEDHM [O-]/N=C/c1cccc(OC2CCC(F)(F)CC2)c1 ZINC001226115062 817277597 /nfs/dbraw/zinc/27/75/97/817277597.db2.gz VZZMCRQKUKONJD-CXUHLZMHSA-N -1 3 255.264 3.451 20 30 CGEDHM C=CC[C@@H](Oc1[n-]c(=O)nnc1C)c1ccc(Cl)cc1 ZINC001226464171 817366262 /nfs/dbraw/zinc/36/62/62/817366262.db2.gz NFJSZXYOONFFHK-GFCCVEGCSA-N -1 3 291.738 3.235 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cccc(CO)c2F)cc1 ZINC001243144538 823262860 /nfs/dbraw/zinc/26/28/60/823262860.db2.gz MXWDECRCGABOMR-LICLKQGHSA-N -1 3 259.280 3.183 20 30 CGEDHM COC(=O)c1ccc([C@@H](C)Oc2cc(C#N)ccc2[O-])cc1 ZINC001227345912 817628474 /nfs/dbraw/zinc/62/84/74/817628474.db2.gz QFQYDECXMXHMRR-LLVKDONJSA-N -1 3 297.310 3.190 20 30 CGEDHM COc1ccc2c(c1)CC[C@H](Oc1cc(C#N)ccc1[O-])C2 ZINC001227348656 817629827 /nfs/dbraw/zinc/62/98/27/817629827.db2.gz BABRKKKGUSUNIT-INIZCTEOSA-N -1 3 295.338 3.209 20 30 CGEDHM C=C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227696467 817697003 /nfs/dbraw/zinc/69/70/03/817697003.db2.gz YAOYNUPQCWMXHV-GFCCVEGCSA-N -1 3 296.286 3.172 20 30 CGEDHM C=C[C@@H](CC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676283 817969632 /nfs/dbraw/zinc/96/96/32/817969632.db2.gz YOQICXBJHMFRSI-VIFPVBQESA-N -1 3 261.281 3.123 20 30 CGEDHM N#Cc1ccc(CN2CCC[C@H]2c2nccs2)c([O-])c1 ZINC001233386894 818607443 /nfs/dbraw/zinc/60/74/43/818607443.db2.gz MOQHGEZHQWBCFE-ZDUSSCGKSA-N -1 3 285.372 3.057 20 30 CGEDHM C#C[C@H](Oc1ccc2occ([O-])c2c1)c1ccccc1 ZINC001233677078 818677026 /nfs/dbraw/zinc/67/70/26/818677026.db2.gz DXJHBKLUGKZZSW-INIZCTEOSA-N -1 3 264.280 3.015 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H](c2cccnc2)C(F)(F)F)c1 ZINC001234144406 818790662 /nfs/dbraw/zinc/79/06/62/818790662.db2.gz NGGCBMQVAQUNDC-ZDUSSCGKSA-N -1 3 294.232 3.341 20 30 CGEDHM C[C@H](COCc1ccccc1)Oc1cc([O-])cc(C#N)c1 ZINC001234144871 818790746 /nfs/dbraw/zinc/79/07/46/818790746.db2.gz WSDIYDGUOUCWSL-CYBMUJFWSA-N -1 3 283.327 3.248 20 30 CGEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cccc([O-])c1C(N)=O ZINC001234149373 818792618 /nfs/dbraw/zinc/79/26/18/818792618.db2.gz ODCLBXHRINVHSA-TYNCELHUSA-N -1 3 289.375 3.251 20 30 CGEDHM C#C[C@@H]1CCC[C@@H]1Oc1c(Cl)ccc([O-])c1F ZINC001234263289 818819476 /nfs/dbraw/zinc/81/94/76/818819476.db2.gz WLXWNFXKUNJFNG-KCJUWKMLSA-N -1 3 254.688 3.365 20 30 CGEDHM C#C[C@@H](Oc1c([O-])cc(Cl)cc1F)c1ccncc1 ZINC001234444347 818856220 /nfs/dbraw/zinc/85/62/20/818856220.db2.gz OTWBWONNLTYBKS-CYBMUJFWSA-N -1 3 277.682 3.333 20 30 CGEDHM N#Cc1nc2[nH]ccc2cc1-c1cc([O-])cc(Cl)c1 ZINC001235907410 819217552 /nfs/dbraw/zinc/21/75/52/819217552.db2.gz ZHOHNFJULIMTQS-UHFFFAOYSA-N -1 3 269.691 3.412 20 30 CGEDHM N#CCCN(Cc1ccc(F)c([O-])c1)C1CCCC1 ZINC001236706741 819577380 /nfs/dbraw/zinc/57/73/80/819577380.db2.gz XTTNONDHIJCTLM-UHFFFAOYSA-N -1 3 262.328 3.190 20 30 CGEDHM C#C[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798644 819843941 /nfs/dbraw/zinc/84/39/41/819843941.db2.gz JSDHGQNAODBEDS-SNVBAGLBSA-N -1 3 267.731 3.030 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccnc3[nH]ccc32)cc1F ZINC001240413734 821034034 /nfs/dbraw/zinc/03/40/34/821034034.db2.gz DOMKCVFCSQAGNE-QGMBQPNBSA-N -1 3 255.252 3.177 20 30 CGEDHM CCOc1ncccc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001240496630 821091832 /nfs/dbraw/zinc/09/18/32/821091832.db2.gz DIFBNKVBFFXCNI-GZTJUZNOSA-N -1 3 256.305 3.346 20 30 CGEDHM COCOc1cc(C)ccc1-c1cccc(/C=N/[O-])c1 ZINC001240754616 821301399 /nfs/dbraw/zinc/30/13/99/821301399.db2.gz IILUMVJLLWNDRG-LICLKQGHSA-N -1 3 271.316 3.453 20 30 CGEDHM CCO[C@@H](C)n1cc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001240757926 821305991 /nfs/dbraw/zinc/30/59/91/821305991.db2.gz FPJCIJBIKKRJND-QHKYSRAXSA-N -1 3 285.347 3.230 20 30 CGEDHM [O-]N=Cc1ccccc1-c1ccc2c(c1)CCCO2 ZINC001240776076 821319895 /nfs/dbraw/zinc/31/98/95/821319895.db2.gz SFERFLIQBFWOFI-UHFFFAOYSA-N -1 3 253.301 3.487 20 30 CGEDHM N#CC1(c2ccnc(-c3ccc([O-])c(F)c3)c2)CC1 ZINC001240786169 821327099 /nfs/dbraw/zinc/32/70/99/821327099.db2.gz PACDSATYPQUJLQ-UHFFFAOYSA-N -1 3 254.264 3.148 20 30 CGEDHM Cn1ncc2c1cccc2-c1cc(/C=N/[O-])ccc1F ZINC001241451859 821848576 /nfs/dbraw/zinc/84/85/76/821848576.db2.gz OVNYIFKGKOXWSY-QGMBQPNBSA-N -1 3 269.279 3.188 20 30 CGEDHM N#CC(=C([O-])c1cnc2ccsc2c1)c1cccc(F)n1 ZINC001342559379 936470005 /nfs/dbraw/zinc/47/00/05/936470005.db2.gz UNNHEZSTCNFRDU-JTQLQIEISA-N -1 3 297.314 3.320 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC001346097106 936837943 /nfs/dbraw/zinc/83/79/43/936837943.db2.gz XYIDXXXKGVVNKJ-GFCCVEGCSA-N -1 3 299.399 3.333 20 30 CGEDHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC001455779968 937420739 /nfs/dbraw/zinc/42/07/39/937420739.db2.gz OYNGAXURNHYHCU-GFCCVEGCSA-N -1 3 280.327 3.063 20 30 CGEDHM CC(C)(C)OCC(=O)N([O-])CCCCc1ccccc1 ZINC001458007051 937448365 /nfs/dbraw/zinc/44/83/65/937448365.db2.gz DWAQNJQUUQMCPF-UHFFFAOYSA-N -1 3 279.380 3.042 20 30 CGEDHM CCCCCCN([O-])C(=O)COCCc1ccccc1 ZINC001458012079 937448482 /nfs/dbraw/zinc/44/84/82/937448482.db2.gz RANWUJULEKZYKT-UHFFFAOYSA-N -1 3 279.380 3.044 20 30 CGEDHM CCCCN([O-])C(=O)c1occc1COc1ccccc1 ZINC001458025436 937449172 /nfs/dbraw/zinc/44/91/72/937449172.db2.gz VIWOFYJTODEXDE-UHFFFAOYSA-N -1 3 289.331 3.490 20 30 CGEDHM C=C[C@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229187384 932112551 /nfs/dbraw/zinc/11/25/51/932112551.db2.gz ZOZCQLDTNGHKLW-JTQLQIEISA-N -1 3 294.306 3.121 20 30 CGEDHM C#C[C@@H]1CCC[C@H]1Oc1nc(=S)[n-]c2sccc21 ZINC001229569535 932173462 /nfs/dbraw/zinc/17/34/62/932173462.db2.gz KJLAUZCNXKYLKW-PSASIEDQSA-N -1 3 276.386 3.161 20 30 CGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc(C)[n-]c(=O)c2C)O1 ZINC001229685385 932188904 /nfs/dbraw/zinc/18/89/04/932188904.db2.gz MGCPZUCDSQCNNG-LRDDRELGSA-N -1 3 292.379 3.080 20 30 CGEDHM COC(=O)[C@@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932158 932505484 /nfs/dbraw/zinc/50/54/84/932505484.db2.gz APAHMKVFANRIBK-MBNTZHJCSA-N -1 3 299.326 3.083 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](C)Sc1ccccn1 ZINC001306897080 932891899 /nfs/dbraw/zinc/89/18/99/932891899.db2.gz YJJWFGDLBAHDBP-LBPRGKRZSA-N -1 3 282.409 3.360 20 30 CGEDHM CCCCN([O-])C(=O)CCc1cccc(Cl)c1 ZINC001306897154 932892410 /nfs/dbraw/zinc/89/24/10/932892410.db2.gz BBOVLTOULVETDY-UHFFFAOYSA-N -1 3 255.745 3.291 20 30 CGEDHM CCCCN([O-])C(=O)C[C@H](C)c1cccc(F)c1 ZINC001306897178 932892855 /nfs/dbraw/zinc/89/28/55/932892855.db2.gz BZOXVULUPWTKEQ-NSHDSACASA-N -1 3 253.317 3.337 20 30 CGEDHM CCCCCCN([O-])C(=O)c1csc(Cl)n1 ZINC001306896880 932893214 /nfs/dbraw/zinc/89/32/14/932893214.db2.gz PXJYHDHMHQLDLS-UHFFFAOYSA-N -1 3 262.762 3.208 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001306896898 932893236 /nfs/dbraw/zinc/89/32/36/932893236.db2.gz QMBPXNHCYXALCH-ZDUSSCGKSA-N -1 3 295.354 3.175 20 30 CGEDHM C=C(CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC001464139882 937687094 /nfs/dbraw/zinc/68/70/94/937687094.db2.gz CJKVNEWJRPILQC-UHFFFAOYSA-N -1 3 270.126 3.059 20 30 CGEDHM CCc1cccc(NC(=O)c2cscc2C#N)c1[O-] ZINC001472183642 937773700 /nfs/dbraw/zinc/77/37/00/937773700.db2.gz YUXMWNDPGMVIIS-UHFFFAOYSA-N -1 3 272.329 3.140 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ccc(C(C)=O)s1 ZINC001472619952 937778406 /nfs/dbraw/zinc/77/84/06/937778406.db2.gz YTLRWLWEBBADEB-UHFFFAOYSA-N -1 3 269.366 3.362 20 30 CGEDHM CCCCSCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC001472623223 937778421 /nfs/dbraw/zinc/77/84/21/937778421.db2.gz XXLVDDGRJGBEOP-UHFFFAOYSA-N -1 3 285.384 3.467 20 30 CGEDHM CCCCN([O-])C(=O)c1cc2c(ccnc2Cl)o1 ZINC001472620898 937778609 /nfs/dbraw/zinc/77/86/09/937778609.db2.gz XNQMGXHLZRCDRT-UHFFFAOYSA-N -1 3 268.700 3.113 20 30 CGEDHM N#CCC1(COC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001330209238 935276978 /nfs/dbraw/zinc/27/69/78/935276978.db2.gz CVEIKFMCBTYGTR-UHFFFAOYSA-N -1 3 287.340 3.458 20 30 CGEDHM N#Cc1cc([N-]C(=O)c2scnc2Cl)c(F)cc1F ZINC001535439552 938101183 /nfs/dbraw/zinc/10/11/83/938101183.db2.gz MRHYGLSSVFRUDT-UHFFFAOYSA-N -1 3 299.689 3.199 20 30 CGEDHM Cc1ccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c([O-])c1 ZINC001540389040 938130871 /nfs/dbraw/zinc/13/08/71/938130871.db2.gz VZFGIQHFJCMVBN-UITAMQMPSA-N -1 3 299.301 3.061 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001559035505 938219193 /nfs/dbraw/zinc/21/91/93/938219193.db2.gz UCPXEMASCDHKLR-ZDUSSCGKSA-N -1 3 295.354 3.490 20 30 CGEDHM O=C([C@@H]1C[C@H]1c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001559037473 938219220 /nfs/dbraw/zinc/21/92/20/938219220.db2.gz YHCKDFIRODKYKA-JKSUJKDBSA-N -1 3 285.318 3.347 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1CCN(C)c2ccccc21 ZINC001559035279 938219331 /nfs/dbraw/zinc/21/93/31/938219331.db2.gz KHCHBXVZRGWRMD-HNNXBMFYSA-N -1 3 290.407 3.408 20 30 CGEDHM CCCCN([O-])C(=O)Cc1c(C)nc([C@@H](C)CC)nc1C ZINC001559035607 938219334 /nfs/dbraw/zinc/21/93/34/938219334.db2.gz YJIKSNLZUACNBQ-NSHDSACASA-N -1 3 293.411 3.167 20 30 CGEDHM C=CCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccccc1 ZINC001569991620 961882603 /nfs/dbraw/zinc/88/26/03/961882603.db2.gz KYISEOJVKGPWJK-UHFFFAOYSA-N -1 3 283.327 3.239 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc2ccccc2c1O ZINC001583407816 962806638 /nfs/dbraw/zinc/80/66/38/962806638.db2.gz GAQRMHFCKBARSE-LBPRGKRZSA-N -1 3 285.343 3.100 20 30 CGEDHM C=CC(C)(C)CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588487609 963279155 /nfs/dbraw/zinc/27/91/55/963279155.db2.gz VNDRNMLBPNPBPU-UHFFFAOYSA-N -1 3 289.358 3.410 20 30 CGEDHM C=CC(C)(C)CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588487609 963279162 /nfs/dbraw/zinc/27/91/62/963279162.db2.gz VNDRNMLBPNPBPU-UHFFFAOYSA-N -1 3 289.358 3.410 20 30 CGEDHM C=CCCCCCOc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588596404 963291624 /nfs/dbraw/zinc/29/16/24/963291624.db2.gz PTMNQSVPLALECB-UHFFFAOYSA-N -1 3 288.351 3.001 20 30 CGEDHM C=CCCCCCOc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588596404 963291635 /nfs/dbraw/zinc/29/16/35/963291635.db2.gz PTMNQSVPLALECB-UHFFFAOYSA-N -1 3 288.351 3.001 20 30 CGEDHM CC#CCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588746488 963310014 /nfs/dbraw/zinc/31/00/14/963310014.db2.gz SHMCPOZYXQJHHA-NSHDSACASA-N -1 3 272.377 3.074 20 30 CGEDHM CC#CCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588746488 963310034 /nfs/dbraw/zinc/31/00/34/963310034.db2.gz SHMCPOZYXQJHHA-NSHDSACASA-N -1 3 272.377 3.074 20 30 CGEDHM C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC001589175184 963351421 /nfs/dbraw/zinc/35/14/21/963351421.db2.gz ROEIURWYSAWLHJ-ZDUSSCGKSA-N -1 3 294.354 3.449 20 30 CGEDHM C=C1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621856887 349597565 /nfs/dbraw/zinc/59/75/65/349597565.db2.gz 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ZINC000582351782 328968114 /nfs/dbraw/zinc/96/81/14/328968114.db2.gz NDZCAIHFXWNTBQ-UHFFFAOYSA-N -1 3 286.718 3.364 20 30 CGEDHM CCc1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000177596167 329187939 /nfs/dbraw/zinc/18/79/39/329187939.db2.gz RFUWYUOKHAVECO-CYBMUJFWSA-N -1 3 295.298 3.042 20 30 CGEDHM C=CC[C@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189652104 329384363 /nfs/dbraw/zinc/38/43/63/329384363.db2.gz ZNFYAHPHRCWNQI-QMMMGPOBSA-N -1 3 295.795 3.486 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(F)c2C)nc(C)n1 ZINC000422114101 330127604 /nfs/dbraw/zinc/12/76/04/330127604.db2.gz ARIHXFNIILYZSM-CYBMUJFWSA-N -1 3 283.306 3.031 20 30 CGEDHM C=C(CNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000436734642 330683969 /nfs/dbraw/zinc/68/39/69/330683969.db2.gz KRDNFKCNMWHIOP-UHFFFAOYSA-N -1 3 267.328 3.144 20 30 CGEDHM C=C(CC)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000456813570 331205220 /nfs/dbraw/zinc/20/52/20/331205220.db2.gz QWBACTJDYCYHDC-UHFFFAOYSA-N -1 3 273.254 3.107 20 30 CGEDHM C=CC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459343674 331277053 /nfs/dbraw/zinc/27/70/53/331277053.db2.gz LWAPLEUEZJIVCZ-UHFFFAOYSA-N -1 3 295.386 3.247 20 30 CGEDHM C#C[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(F)cc1 ZINC000491348973 332194457 /nfs/dbraw/zinc/19/44/57/332194457.db2.gz FWAUNBHOLINPBI-MRXNPFEDSA-N -1 3 273.282 3.135 20 30 CGEDHM C=CCN(CC=C)Cc1cc([O-])ccc1Br ZINC000505864955 332755513 /nfs/dbraw/zinc/75/55/13/332755513.db2.gz TUMOWLPQPIRKKD-UHFFFAOYSA-N -1 3 282.181 3.329 20 30 CGEDHM Cc1noc(C)c1[N-]C(=O)c1oc(CC2CC2)nc1C ZINC000330026296 534367964 /nfs/dbraw/zinc/36/79/64/534367964.db2.gz LIFMKMBKPTWSCV-UHFFFAOYSA-N -1 3 275.308 3.177 20 30 CGEDHM CC(C)c1ccc(C(=O)NCc2cccc(C#N)c2)c([O-])c1 ZINC000436760349 528073649 /nfs/dbraw/zinc/07/36/49/528073649.db2.gz BIGOJTURFJAFIP-UHFFFAOYSA-N -1 3 294.354 3.317 20 30 CGEDHM CC(=NNCc1ccc(F)cc1F)c1cc(F)ccc1[O-] ZINC000727059843 571710124 /nfs/dbraw/zinc/71/01/24/571710124.db2.gz DLYGKZYDCJDMSL-UHFFFAOYSA-N -1 3 294.276 3.323 20 30 CGEDHM CCCC[C@@H]1CCC[C@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000727781907 571769037 /nfs/dbraw/zinc/76/90/37/571769037.db2.gz ZPMQJXAYCUSJNF-PQBAJORESA-N -1 3 290.407 3.366 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cccc3c2OCO3)ccc1[O-] ZINC000728232997 571797382 /nfs/dbraw/zinc/79/73/82/571797382.db2.gz ZZAUHMAOZKMZIZ-YVMONPNESA-N -1 3 282.295 3.325 20 30 CGEDHM COCc1nc2cc(N=Cc3cccc([O-])c3O)ccc2o1 ZINC000750818126 572328710 /nfs/dbraw/zinc/32/87/10/572328710.db2.gz POOXFXPLOIICEO-UHFFFAOYSA-N -1 3 298.298 3.136 20 30 CGEDHM Cc1ccc(F)c2c1C(=NNc1ccccc1F)C(=O)[N-]2 ZINC000732712483 572478688 /nfs/dbraw/zinc/47/86/88/572478688.db2.gz JMHSJFPBBCVFTD-UHFFFAOYSA-N -1 3 287.269 3.042 20 30 CGEDHM [O-]c1ccccc1/C=N/[C@@H]1C[C@H]1Cc1ccccc1 ZINC000741464148 572499957 /nfs/dbraw/zinc/49/99/57/572499957.db2.gz LGYKPXYBBPELOU-SUBKYJBBSA-N -1 3 251.329 3.442 20 30 CGEDHM COc1cccc([O-])c1/C=N\C[C@@H]1OCCc2ccccc21 ZINC000733081156 572506794 /nfs/dbraw/zinc/50/67/94/572506794.db2.gz PRBDIZMWZXOEGM-FUDBJYBQSA-N -1 3 297.354 3.134 20 30 CGEDHM COc1ccc2c(c1)OCC[C@@H]2/N=C\c1ccccc1[O-] ZINC000741757083 572523127 /nfs/dbraw/zinc/52/31/27/572523127.db2.gz LOGYSRODJZNPNQ-GZQZNAIASA-N -1 3 283.327 3.344 20 30 CGEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ncccn1 ZINC000743345277 572648605 /nfs/dbraw/zinc/64/86/05/572648605.db2.gz UGCBGYLTWKHHNM-LLVKDONJSA-N -1 3 298.371 3.123 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCC[C@H](SC)C1 ZINC000735229469 572708175 /nfs/dbraw/zinc/70/81/75/572708175.db2.gz ZYXYAECPLBZGEC-IPYCGELISA-N -1 3 279.405 3.494 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/[C@H]2CSc3ccccc32)c1O ZINC000735414022 572717667 /nfs/dbraw/zinc/71/76/67/572717667.db2.gz BVTOIGCTJLVBEO-JRUYLCMPSA-N -1 3 287.340 3.069 20 30 CGEDHM CC1(C)CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000735972159 572755441 /nfs/dbraw/zinc/75/54/41/572755441.db2.gz NZAOJWXHPRTTBQ-UHFFFAOYSA-N -1 3 294.420 3.062 20 30 CGEDHM CC(=NN=Cc1c([O-])ccc2ccccc21)c1cnccn1 ZINC000745203248 572806518 /nfs/dbraw/zinc/80/65/18/572806518.db2.gz HTMAPXTVIKWRRC-UHFFFAOYSA-N -1 3 290.326 3.179 20 30 CGEDHM CCC(CC)[C@H](CC/N=C/c1ccc(O)c([O-])c1O)OC ZINC000746522537 572876443 /nfs/dbraw/zinc/87/64/43/572876443.db2.gz NLRYUNDAXNCAJB-FBJMNJBLSA-N -1 3 295.379 3.064 20 30 CGEDHM C[C@H]1CC(=NOCc2cccnc2)c2c1c(F)ccc2[O-] ZINC000746577803 572882161 /nfs/dbraw/zinc/88/21/61/572882161.db2.gz VSDHYATZWVSSSH-JTQLQIEISA-N -1 3 286.306 3.354 20 30 CGEDHM COc1ccc(C#N)cc1N=Cc1c([O-])cccc1OC ZINC000747362316 572926793 /nfs/dbraw/zinc/92/67/93/572926793.db2.gz XGFYNUYXYPKTEM-UHFFFAOYSA-N -1 3 282.299 3.032 20 30 CGEDHM Cc1cccc2ncc(/C=C/C(=O)c3cccc([O-])c3)n21 ZINC000748997173 572987845 /nfs/dbraw/zinc/98/78/45/572987845.db2.gz AIGFDVYIEXYQND-CMDGGOBGSA-N -1 3 278.311 3.244 20 30 CGEDHM COc1cc(C=NOCC(C)C)cc(Cl)c1[O-] ZINC000749626896 573025787 /nfs/dbraw/zinc/02/57/87/573025787.db2.gz WPHDFVAFNAMZNO-UHFFFAOYSA-N -1 3 257.717 3.061 20 30 CGEDHM Cc1oc(CN(C)CCCC(C)(C)C#N)cc1C(=O)[O-] ZINC000833025535 601112693 /nfs/dbraw/zinc/11/26/93/601112693.db2.gz NALXWEOSTFMVMO-UHFFFAOYSA-N -1 3 278.352 3.048 20 30 CGEDHM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(CCC#N)c1=O ZINC000899346218 620647620 /nfs/dbraw/zinc/64/76/20/620647620.db2.gz GNVCRIBCQBNQCX-ZDUSSCGKSA-N -1 3 289.766 3.072 20 30 CGEDHM O=C([O-])C[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000833207088 601414032 /nfs/dbraw/zinc/41/40/32/601414032.db2.gz HKTWXZBGOZQNBO-OAHLLOKOSA-N -1 3 291.778 3.021 20 30 CGEDHM C#CC[C@H](NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000833360490 605134308 /nfs/dbraw/zinc/13/43/08/605134308.db2.gz KHGCBLBRZJXBKH-SFHVURJKSA-N -1 3 293.366 3.168 20 30 CGEDHM N#CCCCN[C@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833965302 605975202 /nfs/dbraw/zinc/97/52/02/605975202.db2.gz IGPUTNWGOBBKJV-MRXNPFEDSA-N -1 3 297.358 3.042 20 30 CGEDHM N#Cc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822825217 606327686 /nfs/dbraw/zinc/32/76/86/606327686.db2.gz AGDJDILRTAGOLQ-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822825217 606327687 /nfs/dbraw/zinc/32/76/87/606327687.db2.gz AGDJDILRTAGOLQ-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1cccc(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822837011 606329777 /nfs/dbraw/zinc/32/97/77/606329777.db2.gz DZMWMHXAYNFYHK-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1cccc(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822837011 606329778 /nfs/dbraw/zinc/32/97/78/606329778.db2.gz DZMWMHXAYNFYHK-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM O=C(c1cccc2cccnc21)N([O-])Cc1ccc(F)cc1 ZINC000900094577 620761079 /nfs/dbraw/zinc/76/10/79/620761079.db2.gz QKRYBQPOVYITHV-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM O=C(c1ccnc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000900096063 620761406 /nfs/dbraw/zinc/76/14/06/620761406.db2.gz PRCWGMQGPCQNNH-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM O=C(c1cccc2ncccc21)N([O-])Cc1ccc(F)cc1 ZINC000900095596 620761414 /nfs/dbraw/zinc/76/14/14/620761414.db2.gz GHTWVCLPAIQUGR-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM C#CCCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085608 618934903 /nfs/dbraw/zinc/93/49/03/618934903.db2.gz MPUBDMBEBBFSGU-UHFFFAOYSA-N -1 3 278.258 3.071 20 30 CGEDHM Cc1cc([O-])c(C=NO[C@@H]2CCCCO2)cc1Cl ZINC000853325213 618981135 /nfs/dbraw/zinc/98/11/35/618981135.db2.gz IWBXVBKSYXDXHN-CYBMUJFWSA-N -1 3 269.728 3.231 20 30 CGEDHM CC(C)CN(CCC#N)Cc1cc(F)cc(F)c1[O-] ZINC000893879672 619326058 /nfs/dbraw/zinc/32/60/58/619326058.db2.gz CLKAPAKPUSJXPV-UHFFFAOYSA-N -1 3 268.307 3.042 20 30 CGEDHM CC(C)OCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379287 620869269 /nfs/dbraw/zinc/86/92/69/620869269.db2.gz YZBCFOANGGMQHO-UHFFFAOYSA-N -1 3 292.162 3.136 20 30 CGEDHM C[C@@H]1CCC[C@H](OCC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901371986 620866598 /nfs/dbraw/zinc/86/65/98/620866598.db2.gz LSWNLUGLKTUUNG-DOMZBBRYSA-N -1 3 295.354 3.139 20 30 CGEDHM CO[C@@H]1CCC[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901372765 620867549 /nfs/dbraw/zinc/86/75/49/620867549.db2.gz LVYIFVQZGSQGAE-UKRRQHHQSA-N -1 3 295.354 3.139 20 30 CGEDHM O=C(C1CCC=CCC1)N([O-])Cc1ccc(F)cc1 ZINC000901374477 620867940 /nfs/dbraw/zinc/86/79/40/620867940.db2.gz JYXFHJZEHTVFRV-UHFFFAOYSA-N -1 3 263.312 3.290 20 30 CGEDHM CCCC[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376366 620868526 /nfs/dbraw/zinc/86/85/26/620868526.db2.gz RNFHFOUNFFEVEW-NSHDSACASA-N -1 3 253.317 3.370 20 30 CGEDHM C#CCN(Cc1ccc(/C=C\C(=O)[O-])o1)C1CCCCC1 ZINC000902515345 621359551 /nfs/dbraw/zinc/35/95/51/621359551.db2.gz VCMITUMQGPXWRL-KHPPLWFESA-N -1 3 287.359 3.145 20 30 CGEDHM CC(C)(C)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)no1 ZINC000904175646 621884912 /nfs/dbraw/zinc/88/49/12/621884912.db2.gz VRUFUNDYUFINOU-UHFFFAOYSA-N -1 3 292.310 3.143 20 30 CGEDHM CCCC1(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904173325 621885096 /nfs/dbraw/zinc/88/50/96/621885096.db2.gz JNMKATHVLOBZNI-UHFFFAOYSA-N -1 3 251.301 3.124 20 30 CGEDHM C=C[C@](C)(CC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173662 621885201 /nfs/dbraw/zinc/88/52/01/621885201.db2.gz NYXFKYGTDQOMQO-CQSZACIVSA-N -1 3 251.301 3.146 20 30 CGEDHM CCCCN([O-])C(=O)CCCCC(=O)c1ccccc1 ZINC000904209044 621886201 /nfs/dbraw/zinc/88/62/01/621886201.db2.gz QZKPCFUKQJINJS-UHFFFAOYSA-N -1 3 277.364 3.448 20 30 CGEDHM CCCCN([O-])C(=O)Cc1nc(-c2cccs2)oc1C ZINC000904207745 621886363 /nfs/dbraw/zinc/88/63/63/621886363.db2.gz AXPRVICLVOOSHI-UHFFFAOYSA-N -1 3 294.376 3.272 20 30 CGEDHM CSCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188949 621886816 /nfs/dbraw/zinc/88/68/16/621886816.db2.gz UEUOSHVXALYQQQ-UHFFFAOYSA-N -1 3 273.785 3.201 20 30 CGEDHM CCCCCCN([O-])C(=O)CSCc1cccnc1 ZINC000904205941 621889647 /nfs/dbraw/zinc/88/96/47/621889647.db2.gz XEUYPXKWAXRUJU-UHFFFAOYSA-N -1 3 282.409 3.113 20 30 CGEDHM CC(C)(C)[C@H](C#N)OC(=O)c1cc2ccsc2[n-]1 ZINC000765630751 624029999 /nfs/dbraw/zinc/02/99/99/624029999.db2.gz AAYYLTQBAGSKQV-JTQLQIEISA-N -1 3 262.334 3.324 20 30 CGEDHM CCCC(N=Nc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000916241507 624125921 /nfs/dbraw/zinc/12/59/21/624125921.db2.gz GUVFLRKPSNTBKC-UHFFFAOYSA-N -1 3 270.336 3.107 20 30 CGEDHM C=C1CCC(CNC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000919747629 624421818 /nfs/dbraw/zinc/42/18/18/624421818.db2.gz OMNVXXRESBICLF-UHFFFAOYSA-N -1 3 292.354 3.077 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N\C1CC(F)(F)C1 ZINC000760989669 627007653 /nfs/dbraw/zinc/00/76/53/627007653.db2.gz DUUNHELGTZDPHH-UUASQNMZSA-N -1 3 290.107 3.371 20 30 CGEDHM Cc1cc(/C=C2/Cc3c(cccc3[O-])C2=O)ccc1C#N ZINC000766492853 627337680 /nfs/dbraw/zinc/33/76/80/627337680.db2.gz YSJKJUPROOPLEO-ZSOIEALJSA-N -1 3 275.307 3.395 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CCC2=CCCCCC2)c1[O-] ZINC000767337342 627399157 /nfs/dbraw/zinc/39/91/57/627399157.db2.gz JTLJKXWLWOYOSR-WOJGMQOQSA-N -1 3 288.391 3.287 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1COC2(CCCC2)O1 ZINC000773146627 627862607 /nfs/dbraw/zinc/86/26/07/627862607.db2.gz BOICBSALBKKZMU-RSQQOUAVSA-N -1 3 295.766 3.150 20 30 CGEDHM C#CCOc1ccccc1NC(=O)c1cccc(CC)c1[O-] ZINC000775939452 628151091 /nfs/dbraw/zinc/15/10/91/628151091.db2.gz SINQFELRHDHEEG-UHFFFAOYSA-N -1 3 295.338 3.219 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCC=CO1 ZINC000780150515 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/nfs/dbraw/zinc/03/20/06/629032006.db2.gz BQJZZPILAKZINK-UHFFFAOYSA-N -1 3 266.312 3.363 20 30 CGEDHM Cc1cc(=O)[n-]c(N=NC(C)CCC(C)(C)C)n1 ZINC000788928247 629090140 /nfs/dbraw/zinc/09/01/40/629090140.db2.gz CJICARBFBJEUSN-UHFFFAOYSA-N -1 3 250.346 3.105 20 30 CGEDHM C=C(Cl)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000842193806 635311260 /nfs/dbraw/zinc/31/12/60/635311260.db2.gz AOVLXNUKUJKNST-UHFFFAOYSA-N -1 3 256.758 3.045 20 30 CGEDHM CC(C)C[C@@H](C#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792122887 629339380 /nfs/dbraw/zinc/33/93/80/629339380.db2.gz CQGJWXFPTFFLDS-AWEZNQCLSA-N -1 3 282.343 3.213 20 30 CGEDHM CO[C@@H](CN=Nc1nc2ccccc2[n-]c1=S)C1CC1 ZINC000863124964 629480326 /nfs/dbraw/zinc/48/03/26/629480326.db2.gz IVVPVFOUYMDYNQ-LBPRGKRZSA-N -1 3 288.376 3.115 20 30 CGEDHM N#CC[C@@H](CC(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000793771242 629501265 /nfs/dbraw/zinc/50/12/65/629501265.db2.gz GCWPOAPOMYBIBB-AWEZNQCLSA-N -1 3 272.348 3.064 20 30 CGEDHM C[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@@H](C)O1 ZINC000864347668 629816000 /nfs/dbraw/zinc/81/60/00/629816000.db2.gz VTCFNNOBRZELBL-TVSDMKAJSA-N -1 3 253.729 3.030 20 30 CGEDHM CC(=NNCC1CCCC1)c1ccc([O-])cc1F ZINC000808007081 630617816 /nfs/dbraw/zinc/61/78/16/630617816.db2.gz OBFFLXZYTQKUCT-UHFFFAOYSA-N -1 3 250.317 3.035 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)C(C)(C)C)c1[O-] ZINC000814183111 631541646 /nfs/dbraw/zinc/54/16/46/631541646.db2.gz DOVWNTINCLJOIP-IUXPMGMMSA-N -1 3 278.396 3.079 20 30 CGEDHM [O-]c1c(C=NNCCc2ccccn2)ccc2ccccc21 ZINC000814925132 631683751 /nfs/dbraw/zinc/68/37/51/631683751.db2.gz SKZWKGIBWLOVLX-UHFFFAOYSA-N -1 3 291.354 3.107 20 30 CGEDHM CC[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCO1 ZINC000817706666 632202326 /nfs/dbraw/zinc/20/23/26/632202326.db2.gz DWQWZYQYLWIRDX-AMCJRTCWSA-N -1 3 267.756 3.422 20 30 CGEDHM Cc1cc([O-])c(CN(CCC#N)C(C)C)cc1Cl ZINC000824593955 633262474 /nfs/dbraw/zinc/26/24/74/633262474.db2.gz WDIIXEHZKYYEDX-UHFFFAOYSA-N -1 3 266.772 3.478 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H](CF)c1ccc(F)cc1 ZINC000828096917 633559879 /nfs/dbraw/zinc/55/98/79/633559879.db2.gz FYFDCHOABNLHIN-LLVKDONJSA-N -1 3 275.245 3.164 20 30 CGEDHM CCOC1CC2(C[C@H]2/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000871598539 633800554 /nfs/dbraw/zinc/80/05/54/633800554.db2.gz SRFLSQFXBDQAIM-DNLYMSNNSA-N -1 3 279.767 3.422 20 30 CGEDHM C=CCCCCCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000831993964 634020786 /nfs/dbraw/zinc/02/07/86/634020786.db2.gz YRPXZFCXMQMMGR-UHFFFAOYSA-N -1 3 279.355 3.327 20 30 CGEDHM CC(=NNC[C@H]1CCCC1(F)F)c1ccc([O-])c(F)c1 ZINC000872407973 634136922 /nfs/dbraw/zinc/13/69/22/634136922.db2.gz ITMDVVQVYGOWHT-LLVKDONJSA-N -1 3 286.297 3.280 20 30 CGEDHM C[C@@H]1SCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000843264195 635628730 /nfs/dbraw/zinc/62/87/30/635628730.db2.gz NEILWMMBNOMTEH-AGJKLZBESA-N -1 3 255.770 3.359 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(Br)cc1 ZINC000846545092 636197309 /nfs/dbraw/zinc/19/73/09/636197309.db2.gz DTEMVGVMPMRGRG-JTQLQIEISA-N -1 3 298.180 3.004 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccccc1Br ZINC000846548838 636198968 /nfs/dbraw/zinc/19/89/68/636198968.db2.gz GMIXFXHLYCHWJN-JTQLQIEISA-N -1 3 298.180 3.004 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000846549196 636199339 /nfs/dbraw/zinc/19/93/39/636199339.db2.gz PAGGEDJWSIDSGZ-GFCCVEGCSA-N -1 3 261.365 3.149 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCOc1ccccc1Cl ZINC000846550239 636200166 /nfs/dbraw/zinc/20/01/66/636200166.db2.gz LUWCAPBGQWMSPN-LLVKDONJSA-N -1 3 283.755 3.121 20 30 CGEDHM N#Cc1ccccc1CO[N-]C(=O)CCC1CCCCC1 ZINC000106437077 636212224 /nfs/dbraw/zinc/21/22/24/636212224.db2.gz LLRIDQZWUFXEGN-UHFFFAOYSA-N -1 3 286.375 3.467 20 30 CGEDHM C#CCC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCC1 ZINC000886797833 637695877 /nfs/dbraw/zinc/69/58/77/637695877.db2.gz CLRLAFOKUDAKNF-UHFFFAOYSA-N -1 3 297.276 3.087 20 30 CGEDHM CCN1CC[C@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000887269913 637786545 /nfs/dbraw/zinc/78/65/45/637786545.db2.gz DFGSGMQWOWOBIQ-JRUYLCMPSA-N -1 3 287.190 3.212 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CC[C@H]1CCCO1 ZINC000887272982 637787891 /nfs/dbraw/zinc/78/78/91/637787891.db2.gz ZMADHSRWIMGCEQ-KMHUVPDISA-N -1 3 253.729 3.034 20 30 CGEDHM C=CCCO[N-]C(=O)CCCOc1ccc(C)c(C)c1 ZINC000856031884 638287060 /nfs/dbraw/zinc/28/70/60/638287060.db2.gz BFKMANKMVCKNOA-UHFFFAOYSA-N -1 3 277.364 3.086 20 30 CGEDHM CCCc1ncc(CN[C@@H](CC)c2cccc(C#N)c2[O-])o1 ZINC000926536907 638782474 /nfs/dbraw/zinc/78/24/74/638782474.db2.gz IMMDQEBRNTYHFP-HNNXBMFYSA-N -1 3 299.374 3.445 20 30 CGEDHM C#CC[C@H](COC)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000861276438 639554579 /nfs/dbraw/zinc/55/45/79/639554579.db2.gz CYVPKZUSORDRSI-SECBINFHSA-N -1 3 297.763 3.078 20 30 CGEDHM Cc1ccc2nc(-c3ccc(C#N)cc3[O-])[nH]c2c1C ZINC001251331947 805883986 /nfs/dbraw/zinc/88/39/86/805883986.db2.gz CDEBLRTWSJHIBU-UHFFFAOYSA-N -1 3 263.300 3.424 20 30 CGEDHM C=C(C)c1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC001158609849 805974458 /nfs/dbraw/zinc/97/44/58/805974458.db2.gz GCXRBFOFKATZGU-UHFFFAOYSA-N -1 3 297.310 3.406 20 30 CGEDHM N#C[C@H](Nc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001161721047 806433032 /nfs/dbraw/zinc/43/30/32/806433032.db2.gz INJCVEWOAFPOOU-VUVCFOEZSA-N -1 3 251.289 3.171 20 30 CGEDHM CC1(C)C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001161807552 806458997 /nfs/dbraw/zinc/45/89/97/806458997.db2.gz KENDUDLCYKAPKX-JTQLQIEISA-N -1 3 253.729 3.104 20 30 CGEDHM CO[C@](C)(C(=O)N([O-])CCCCc1ccccc1)C1CC1 ZINC001161818945 806463290 /nfs/dbraw/zinc/46/32/90/806463290.db2.gz JMGJGTGJJBRJNW-KRWDZBQOSA-N -1 3 291.391 3.042 20 30 CGEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1C ZINC001122395259 802869065 /nfs/dbraw/zinc/86/90/65/802869065.db2.gz PKMDBYKBQRKSBD-LBPRGKRZSA-N -1 3 286.356 3.259 20 30 CGEDHM N#Cc1cscc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC001126615850 803104653 /nfs/dbraw/zinc/10/46/53/803104653.db2.gz AANJYCPLSIOXFG-UHFFFAOYSA-N -1 3 282.246 3.289 20 30 CGEDHM N#Cc1ccc(-c2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001244327654 803306681 /nfs/dbraw/zinc/30/66/81/803306681.db2.gz NAOQCYKWIZYHSD-UHFFFAOYSA-N -1 3 281.706 3.059 20 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3.029 20 30 CGEDHM C=CCCCNC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001247691277 804797016 /nfs/dbraw/zinc/79/70/16/804797016.db2.gz WDQQSCMZMMGWIE-UHFFFAOYSA-N -1 3 293.417 3.255 20 30 CGEDHM C=C(C(=O)Nc1cc([O-])cc(Cl)c1)C(F)(F)F ZINC001144208848 804956326 /nfs/dbraw/zinc/95/63/26/804956326.db2.gz SOXZUPARYMQYTO-UHFFFAOYSA-N -1 3 265.618 3.103 20 30 CGEDHM C[C@H](CC(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1 ZINC001144426468 804985490 /nfs/dbraw/zinc/98/54/90/804985490.db2.gz VQSGLOATRYBUIA-GFCCVEGCSA-N -1 3 280.327 3.396 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccc2ccccc2c1 ZINC001144589235 805010656 /nfs/dbraw/zinc/01/06/56/805010656.db2.gz JUDIGUUVQFHAPG-ZDUSSCGKSA-N -1 3 285.343 3.231 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC001144582057 805011872 /nfs/dbraw/zinc/01/18/72/805011872.db2.gz CEHJBETXDIMEFJ-GFCCVEGCSA-N -1 3 255.317 3.005 20 30 CGEDHM C#CCN(CC#C)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248885432 805035172 /nfs/dbraw/zinc/03/51/72/805035172.db2.gz WQFQEHLARFHXIT-UHFFFAOYSA-N -1 3 289.806 3.412 20 30 CGEDHM N#Cc1c(F)ccc(Nc2cccc([O-])c2F)c1F ZINC001212551558 815064333 /nfs/dbraw/zinc/06/43/33/815064333.db2.gz XZNOIQZWGDBLLS-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1cc(C#N)cc(C#N)c1Nc1c([O-])cccc1F ZINC001249996043 805354012 /nfs/dbraw/zinc/35/40/12/805354012.db2.gz FBEXBTMLCMHCST-UHFFFAOYSA-N -1 3 267.263 3.327 20 30 CGEDHM COc1c(Cl)ccc(F)c1[N-]c1onc(C)c1C#N ZINC001250098783 805416980 /nfs/dbraw/zinc/41/69/80/805416980.db2.gz BJKRYERILRXALA-UHFFFAOYSA-N -1 3 281.674 3.399 20 30 CGEDHM Cc1ccc(-c2ccccc2)c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1 ZINC001171365554 808036542 /nfs/dbraw/zinc/03/65/42/808036542.db2.gz CKBLFGFABOPYQA-GUYCJALGSA-N -1 3 296.370 3.310 20 30 CGEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])c(F)c1 ZINC001174146060 808890658 /nfs/dbraw/zinc/89/06/58/808890658.db2.gz UNZQNDIJRYWBIG-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM CC(=O)Nc1ccc(Nc2ccc([O-])c(F)c2)cc1C#N ZINC001174737980 809147181 /nfs/dbraw/zinc/14/71/81/809147181.db2.gz QGSLTVQUJMIOOS-UHFFFAOYSA-N 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LXCBFTSDNJCAGV-NSHDSACASA-N -1 3 260.337 3.275 20 30 CGEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)ccc1[O-] ZINC001182285217 810102436 /nfs/dbraw/zinc/10/24/36/810102436.db2.gz JNOLUQRBCIRQEX-KGLIPLIRSA-N -1 3 296.301 3.145 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC001184314658 810190532 /nfs/dbraw/zinc/19/05/32/810190532.db2.gz FEYSDCWPOWENMO-ZDUSSCGKSA-N -1 3 299.411 3.152 20 30 CGEDHM Cc1cccc([O-])c1C(=O)Nc1ccc(F)c(CC#N)c1 ZINC001188654894 810500564 /nfs/dbraw/zinc/50/05/64/810500564.db2.gz IVZWAUUQGMNQRJ-UHFFFAOYSA-N -1 3 284.290 3.158 20 30 CGEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(F)cc2OCC)CC1 ZINC001190766931 810647659 /nfs/dbraw/zinc/64/76/59/810647659.db2.gz XSKQKKVIUCQHQW-UHFFFAOYSA-N -1 3 299.367 3.075 20 30 CGEDHM CCCCCCCOC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001193994533 810997615 /nfs/dbraw/zinc/99/76/15/810997615.db2.gz XPOHSEUDCLEOPZ-UHFFFAOYSA-N -1 3 267.329 3.010 20 30 CGEDHM CC(=O)c1ccc(F)c(Nc2ccc(C#N)cc2[O-])c1F ZINC001214766469 815449271 /nfs/dbraw/zinc/44/92/71/815449271.db2.gz BNTBCLUMWTYMKL-UHFFFAOYSA-N -1 3 288.253 3.488 20 30 CGEDHM CCc1ccc([O-])c(NC(=O)Nc2cccc(C#N)c2)c1 ZINC001202788148 812173903 /nfs/dbraw/zinc/17/39/03/812173903.db2.gz WGWTXDRZDZLZNO-UHFFFAOYSA-N -1 3 281.315 3.470 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2cc(C)cc(C)c2)c1C#N ZINC001202837865 812184689 /nfs/dbraw/zinc/18/46/89/812184689.db2.gz VVKXAOYPNWSADO-UHFFFAOYSA-N -1 3 270.292 3.116 20 30 CGEDHM N#Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F ZINC001204053847 812536289 /nfs/dbraw/zinc/53/62/89/812536289.db2.gz NJMUOJSRQQOLCA-UHFFFAOYSA-N -1 3 294.289 3.332 20 30 CGEDHM Cc1oc(Nc2cc(F)c([O-])cc2F)c(C#N)c1C ZINC001215570508 815536087 /nfs/dbraw/zinc/53/60/87/815536087.db2.gz JOKGGOGMXRAIFK-UHFFFAOYSA-N -1 3 264.231 3.496 20 30 CGEDHM C[C@H](CO)CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205958020 813146492 /nfs/dbraw/zinc/14/64/92/813146492.db2.gz VYKSJUOHZKBWAU-DTLHYBNHSA-N -1 3 299.370 3.251 20 30 CGEDHM C[C@@H]1CC(=O)C=C(c2ccc3c(c2)CC/C3=N/[O-])C1 ZINC001242744593 823120225 /nfs/dbraw/zinc/12/02/25/823120225.db2.gz MFGZRHHNKUHJEI-PXSDHIKXSA-N -1 3 255.317 3.194 20 30 CGEDHM COc1cc(Nc2ccc(F)c([O-])c2)ccc1C#N ZINC001211218651 814853921 /nfs/dbraw/zinc/85/39/21/814853921.db2.gz ZFFDBBSNIROSKM-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM COc1ccc(Nc2cc(C)c(F)c([O-])c2)cc1C#N ZINC001216081064 815685412 /nfs/dbraw/zinc/68/54/12/815685412.db2.gz UXKHVWXUOKAGGA-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM CCc1cc(Nc2cc(C#N)ccc2[O-])ccc1CO ZINC001216107604 815698011 /nfs/dbraw/zinc/69/80/11/815698011.db2.gz HRGUBXSWZCYAJZ-UHFFFAOYSA-N -1 3 268.316 3.062 20 30 CGEDHM Cc1cccc(OC[C@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c1 ZINC001225469795 817063701 /nfs/dbraw/zinc/06/37/01/817063701.db2.gz OHHKORMCJLVJRS-ZDUSSCGKSA-N -1 3 298.342 3.122 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cccc(F)c2F)[n-]1 ZINC001225469747 817063754 /nfs/dbraw/zinc/06/37/54/817063754.db2.gz NNVSSWVYQIHKTK-VIFPVBQESA-N -1 3 290.269 3.386 20 30 CGEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664074 817131041 /nfs/dbraw/zinc/13/10/41/817131041.db2.gz ITMAVNGWQCAXEA-MDZLAQPJSA-N -1 3 292.335 3.455 20 30 CGEDHM C=CC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225668077 817134813 /nfs/dbraw/zinc/13/48/13/817134813.db2.gz YKHQWAHUCZZNOB-ZDUSSCGKSA-N -1 3 286.287 3.392 20 30 CGEDHM C=C[C@@H](Oc1cc(COC)nc(=S)[n-]1)c1ccccc1 ZINC001225936418 817223970 /nfs/dbraw/zinc/22/39/70/817223970.db2.gz AIKBYSXXNOIUIP-CYBMUJFWSA-N -1 3 288.372 3.218 20 30 CGEDHM C[C@@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1C#N ZINC001226299728 817322732 /nfs/dbraw/zinc/32/27/32/817322732.db2.gz FOYJTRIDWLQKDB-SNVBAGLBSA-N -1 3 297.383 3.266 20 30 CGEDHM C=CC[C@H](C=C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532499 817389338 /nfs/dbraw/zinc/38/93/38/817389338.db2.gz RQQLQZXZOXIJFA-NSHDSACASA-N -1 3 272.300 3.317 20 30 CGEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2ccnc(=S)[n-]2)C1 ZINC001226939879 817511116 /nfs/dbraw/zinc/51/11/16/817511116.db2.gz JWCJQFUGYAYQKF-NEPJUHHUSA-N -1 3 262.378 3.445 20 30 CGEDHM CCc1cnc(=S)[n-]c1O[C@H](CC#N)c1ccccc1 ZINC001227061288 817547174 /nfs/dbraw/zinc/54/71/74/817547174.db2.gz GSRDLBYJMJZSAT-CYBMUJFWSA-N -1 3 285.372 3.361 20 30 CGEDHM C=CC[C@@H](C=C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227582944 817676376 /nfs/dbraw/zinc/67/63/76/817676376.db2.gz HTYRVFNMTMCDRS-SECBINFHSA-N -1 3 259.227 3.316 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820475 817726318 /nfs/dbraw/zinc/72/63/18/817726318.db2.gz WDBGLZFYAYVDPI-NSHDSACASA-N -1 3 279.336 3.088 20 30 CGEDHM C=C(C)C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)C(=C)C ZINC001228699683 817979317 /nfs/dbraw/zinc/97/93/17/817979317.db2.gz IWOQPSQPPALJEZ-CYBMUJFWSA-N -1 3 270.336 3.156 20 30 CGEDHM COc1ccc(CN2CCC[C@@H](C#N)CC2)c(Cl)c1[O-] ZINC001233400645 818611225 /nfs/dbraw/zinc/61/12/25/818611225.db2.gz RIACGQGWDGMXHJ-LLVKDONJSA-N -1 3 294.782 3.180 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001233530946 818633662 /nfs/dbraw/zinc/63/36/62/818633662.db2.gz PGPIAUYJUZVFIW-BFQNTYOBSA-N -1 3 255.317 3.350 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1ccc2occ([O-])c2c1 ZINC001233680631 818678699 /nfs/dbraw/zinc/67/86/99/818678699.db2.gz LXFMFXLHLYOPMV-VIFPVBQESA-N -1 3 266.362 3.128 20 30 CGEDHM C[C@H](Oc1ccc2occ([O-])c2c1)c1ccccc1C#N ZINC001233681829 818678778 /nfs/dbraw/zinc/67/87/78/818678778.db2.gz ZRZIVIIDDQELQN-NSHDSACASA-N -1 3 279.295 3.273 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ccccn1 ZINC001233803010 818708520 /nfs/dbraw/zinc/70/85/20/818708520.db2.gz KRHYYGVCWFYXOM-JDAJCMJVSA-N -1 3 272.304 3.038 20 30 CGEDHM COc1cccc([C@@H](C)Oc2cc([O-])cc(C#N)c2)c1 ZINC001234144941 818790131 /nfs/dbraw/zinc/79/01/31/818790131.db2.gz XQUANWDCJFEVRE-LLVKDONJSA-N -1 3 269.300 3.412 20 30 CGEDHM Cc1cccc(OC[C@H](C)Oc2cc([O-])cc(C#N)c2)c1 ZINC001234144754 818790206 /nfs/dbraw/zinc/79/02/06/818790206.db2.gz UWTWWYZDTKBVHP-ZDUSSCGKSA-N -1 3 283.327 3.419 20 30 CGEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC001234144752 818790841 /nfs/dbraw/zinc/79/08/41/818790841.db2.gz UWSMOIZTODFHBM-SNVBAGLBSA-N -1 3 284.271 3.312 20 30 CGEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1 ZINC001234511856 818870332 /nfs/dbraw/zinc/87/03/32/818870332.db2.gz XKMZMGFIZVJKBC-NSHDSACASA-N -1 3 291.310 3.347 20 30 CGEDHM C#C[C@@H](CCCC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792497 818924532 /nfs/dbraw/zinc/92/45/32/818924532.db2.gz BYDKASUBXKCJOZ-ZDUSSCGKSA-N -1 3 290.359 3.483 20 30 CGEDHM C#C[C@H]1CCC[C@H]1Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234793827 818924744 /nfs/dbraw/zinc/92/47/44/818924744.db2.gz VOLDORBDPLZUPP-GXTWGEPZSA-N -1 3 288.343 3.093 20 30 CGEDHM Cc1ccc(-c2ccc(C=N[O-])c(F)c2)c2c[nH]nc21 ZINC001236503191 819506237 /nfs/dbraw/zinc/50/62/37/819506237.db2.gz MCNMTAHKCHPWJR-CNHKJKLMSA-N -1 3 269.279 3.486 20 30 CGEDHM CC(C)(C#N)c1ccc(-c2cccc([O-])c2F)cn1 ZINC001243547311 823439722 /nfs/dbraw/zinc/43/97/22/823439722.db2.gz PVUKKGFHRVRZMJ-UHFFFAOYSA-N -1 3 256.280 3.394 20 30 CGEDHM 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C=C(C)CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC001346923480 936865214 /nfs/dbraw/zinc/86/52/14/936865214.db2.gz XNCQEULZYBCSER-UHFFFAOYSA-N -1 3 298.180 3.127 20 30 CGEDHM C=CCC[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001347382863 936882263 /nfs/dbraw/zinc/88/22/63/936882263.db2.gz ADEBEIJBLFIPRU-CYBMUJFWSA-N -1 3 292.354 3.172 20 30 CGEDHM CCOc1ccccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001357599625 937175449 /nfs/dbraw/zinc/17/54/49/937175449.db2.gz XBAOXHGUPZUFRD-GFCCVEGCSA-N -1 3 284.290 3.109 20 30 CGEDHM C=CCOc1ccc(CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001449229623 937378785 /nfs/dbraw/zinc/37/87/85/937378785.db2.gz YGWTZAHDJBEFSF-UHFFFAOYSA-N -1 3 297.354 3.195 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1CCSc2ccccc21 ZINC001458020205 937448336 /nfs/dbraw/zinc/44/83/36/937448336.db2.gz CMTPZRHVCUTCNW-GFCCVEGCSA-N -1 3 265.378 3.284 20 30 CGEDHM O=C(c1ccco1)N([O-])CCCCc1ccccc1 ZINC001457992690 937448567 /nfs/dbraw/zinc/44/85/67/937448567.db2.gz IVTJEVANNORGDM-UHFFFAOYSA-N -1 3 259.305 3.134 20 30 CGEDHM Cc1nc(CC(=O)N([O-])Cc2ccccc2Cl)cs1 ZINC001458004719 937448630 /nfs/dbraw/zinc/44/86/30/937448630.db2.gz YHXCHRGNIOUXGM-UHFFFAOYSA-N -1 3 296.779 3.065 20 30 CGEDHM CCCCN([O-])C(=O)C1(CCc2ccccc2)CC1 ZINC001458025461 937449221 /nfs/dbraw/zinc/44/92/21/937449221.db2.gz VMRNWZLOMTXFRV-UHFFFAOYSA-N -1 3 261.365 3.417 20 30 CGEDHM CCCCN([O-])C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001161832646 931986953 /nfs/dbraw/zinc/98/69/53/931986953.db2.gz QNOAEKLVOMLDNY-UHFFFAOYSA-N -1 3 296.273 3.251 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC001161832663 931987084 /nfs/dbraw/zinc/98/70/84/931987084.db2.gz QYMHGSZIBACWMB-NSHDSACASA-N -1 3 283.393 3.194 20 30 CGEDHM C=CC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099819 932093271 /nfs/dbraw/zinc/09/32/71/932093271.db2.gz NABGLZSBGZJODZ-SSDOTTSWSA-N -1 3 273.126 3.204 20 30 CGEDHM C#C[C@@H](C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229539510 932168613 /nfs/dbraw/zinc/16/86/13/932168613.db2.gz VSNDLEBVZYUIQP-CYBMUJFWSA-N -1 3 280.323 3.332 20 30 CGEDHM C#C[C@H](Oc1[n-]c(=O)nc2cc(F)ccc21)c1ccccc1 ZINC001230881720 932634148 /nfs/dbraw/zinc/63/41/48/932634148.db2.gz AGCIPXQNVXOMJE-HNNXBMFYSA-N -1 3 294.285 3.228 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC001306897732 932892623 /nfs/dbraw/zinc/89/26/23/932892623.db2.gz ZRESUDUXLHVCGT-LLVKDONJSA-N -1 3 285.771 3.434 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001469733846 937743016 /nfs/dbraw/zinc/74/30/16/937743016.db2.gz VMATYQRGCOZPKG-GARJFASQSA-N -1 3 279.302 3.368 20 30 CGEDHM N#CC1(COC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001321057861 934145060 /nfs/dbraw/zinc/14/50/60/934145060.db2.gz MTVWTUQNLPMVMM-UHFFFAOYSA-N -1 3 273.313 3.067 20 30 CGEDHM CCc1ncoc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC001515389705 938005995 /nfs/dbraw/zinc/00/59/95/938005995.db2.gz GQRFRPMYUVKFSL-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM C[C@H](Cc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001559037458 938219247 /nfs/dbraw/zinc/21/92/47/938219247.db2.gz XRXIHFSUWSOIAZ-CYBMUJFWSA-N -1 3 287.334 3.422 20 30 CGEDHM N#Cc1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001560724669 938272513 /nfs/dbraw/zinc/27/25/13/938272513.db2.gz RCOZQCRHEKGENA-UHFFFAOYSA-N -1 3 260.243 3.154 20 30 CGEDHM C[C@H](NCc1cc(C(=O)[O-])cs1)c1ccc(C#N)cc1 ZINC000095004672 958327478 /nfs/dbraw/zinc/32/74/78/958327478.db2.gz JBVNHZOESKHSSR-JTQLQIEISA-N -1 3 286.356 3.169 20 30 CGEDHM C=CCCC1(CNCc2ncc(C(=O)[O-])s2)CCCC1 ZINC001573357659 963018914 /nfs/dbraw/zinc/01/89/14/963018914.db2.gz QHXHHAMJNIYGPL-UHFFFAOYSA-N -1 3 294.420 3.458 20 30 CGEDHM C=CCC[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588578146 963283646 /nfs/dbraw/zinc/28/36/46/963283646.db2.gz XIBWFZYKOIUKEI-LLVKDONJSA-N -1 3 287.367 3.032 20 30 CGEDHM C=CCC[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588578146 963283653 /nfs/dbraw/zinc/28/36/53/963283653.db2.gz XIBWFZYKOIUKEI-LLVKDONJSA-N -1 3 287.367 3.032 20 30 CGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1C ZINC001588780790 963315951 /nfs/dbraw/zinc/31/59/51/963315951.db2.gz OEDRXHXKBJIVJK-UHFFFAOYSA-N 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ZINC000270629118 378377887 /nfs/dbraw/zinc/37/78/87/378377887.db2.gz UQQLXQNZYGXKPP-DRMGDSRLSA-N -1 3 261.365 3.405 20 30 CGEDHM Cc1oc(C#N)cc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000281408333 379834461 /nfs/dbraw/zinc/83/44/61/379834461.db2.gz WWWBXDZSSLCXBT-SNVBAGLBSA-N -1 3 296.326 3.319 20 30 CGEDHM C=CCCc1noc(-c2ccc3nc(OCC)[n-]c3c2)n1 ZINC000420505659 380854426 /nfs/dbraw/zinc/85/44/26/380854426.db2.gz RQXXQRHVDZFKBX-UHFFFAOYSA-N -1 3 284.319 3.130 20 30 CGEDHM CCc1ncc(C(=O)[N-]c2scc(C)c2C#N)s1 ZINC000335328924 208202419 /nfs/dbraw/zinc/20/24/19/208202419.db2.gz PFCLPLMUGMKISD-UHFFFAOYSA-N -1 3 277.374 3.199 20 30 CGEDHM C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000443568424 542667211 /nfs/dbraw/zinc/66/72/11/542667211.db2.gz RHTQYPQDIRUANV-UHFFFAOYSA-N -1 3 299.326 3.218 20 30 CGEDHM CCCCCc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1 ZINC000416942896 393345344 /nfs/dbraw/zinc/34/53/44/393345344.db2.gz LFSSFAKKQTWMSM-HNNXBMFYSA-N -1 3 294.420 3.463 20 30 CGEDHM CC(C)(CCC#N)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000360427173 393566798 /nfs/dbraw/zinc/56/67/98/393566798.db2.gz UKDGGHLFQJQMFL-UHFFFAOYSA-N -1 3 294.782 3.034 20 30 CGEDHM N#CC(=C([O-])c1ccoc1)c1ccc2ccccc2n1 ZINC000047375846 397632360 /nfs/dbraw/zinc/63/23/60/397632360.db2.gz PWSLDVPCEDERQS-ZDUSSCGKSA-N -1 3 262.268 3.318 20 30 CGEDHM C=CCn1c(SCc2ccc(SC)cc2)n[n-]c1=O ZINC000675296751 543327233 /nfs/dbraw/zinc/32/72/33/543327233.db2.gz SJMUZBJNRGGAAR-UHFFFAOYSA-N -1 3 293.417 3.184 20 30 CGEDHM Cc1ncccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000676103796 543382252 /nfs/dbraw/zinc/38/22/52/543382252.db2.gz IJUCBLLZCCEQLN-HNNXBMFYSA-N -1 3 287.322 3.428 20 30 CGEDHM Cc1cncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000676104221 543382468 /nfs/dbraw/zinc/38/24/68/543382468.db2.gz XWHSYLQZGDNHPI-OAHLLOKOSA-N -1 3 287.322 3.428 20 30 CGEDHM Cc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)c([O-])c1C ZINC000052513140 175535629 /nfs/dbraw/zinc/53/56/29/175535629.db2.gz UGWMXGNAVSJENM-UHFFFAOYSA-N -1 3 294.354 3.153 20 30 CGEDHM N#CCc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000335971097 228171957 /nfs/dbraw/zinc/17/19/57/228171957.db2.gz YDJQUFFKKVOIPJ-UHFFFAOYSA-N -1 3 286.718 3.364 20 30 CGEDHM C=CC1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000151130402 260592482 /nfs/dbraw/zinc/59/24/82/260592482.db2.gz OOZCPTBZXNAZKF-UHFFFAOYSA-N -1 3 279.767 3.013 20 30 CGEDHM N#CCc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000184137990 262270770 /nfs/dbraw/zinc/27/07/70/262270770.db2.gz GLDZCINDICTEDE-UHFFFAOYSA-N -1 3 256.280 3.209 20 30 CGEDHM CC(C)(C#N)CCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000281777873 263071922 /nfs/dbraw/zinc/07/19/22/263071922.db2.gz DQVWLZNDDKUXFC-UHFFFAOYSA-N -1 3 296.370 3.370 20 30 CGEDHM CC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000299330826 263239839 /nfs/dbraw/zinc/23/98/39/263239839.db2.gz GEESLBHAJWIZNM-MWJIIQFGSA-N -1 3 284.359 3.158 20 30 CGEDHM N#CC(=C([O-])c1cncc2ccccc21)c1ccccn1 ZINC000340877716 263311221 /nfs/dbraw/zinc/31/12/21/263311221.db2.gz OKARYBIOPWOOLP-AWEZNQCLSA-N -1 3 273.295 3.120 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1c(Cl)cccc1OC ZINC000294334152 265011600 /nfs/dbraw/zinc/01/16/00/265011600.db2.gz AEJCYDURELZLJJ-UHFFFAOYSA-N -1 3 289.709 3.176 20 30 CGEDHM C=CCOCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000340330275 328257528 /nfs/dbraw/zinc/25/75/28/328257528.db2.gz UBZRZLJPGVSVGX-UHFFFAOYSA-N -1 3 297.354 3.124 20 30 CGEDHM N#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000292181214 328268532 /nfs/dbraw/zinc/26/85/32/328268532.db2.gz AXINREUQMWYUPJ-UHFFFAOYSA-N -1 3 272.226 3.043 20 30 CGEDHM CCc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1[O-] ZINC000556931420 326984298 /nfs/dbraw/zinc/98/42/98/326984298.db2.gz CURUMYUFENSIKQ-HNNXBMFYSA-N -1 3 298.317 3.088 20 30 CGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000537182489 330413607 /nfs/dbraw/zinc/41/36/07/330413607.db2.gz OJUAJLGMKFQKRC-LBPRGKRZSA-N -1 3 285.384 3.157 20 30 CGEDHM C=CCCN(C)Cc1cccc([O-])c1Br ZINC000459508591 331285304 /nfs/dbraw/zinc/28/53/04/331285304.db2.gz LUAGDFULYAECDB-UHFFFAOYSA-N -1 3 270.170 3.163 20 30 CGEDHM N#CCSc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000080379150 334170875 /nfs/dbraw/zinc/17/08/75/334170875.db2.gz NLRWYFAZFDXDPY-CQSZACIVSA-N -1 3 293.351 3.187 20 30 CGEDHM C=CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000081037289 334176924 /nfs/dbraw/zinc/17/69/24/334176924.db2.gz DNOPVZPMDTULBG-UHFFFAOYSA-N -1 3 287.793 3.019 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H](C)c1nc(C)cs1 ZINC000727653373 571760696 /nfs/dbraw/zinc/76/06/96/571760696.db2.gz MGQPKEIKKMJSCV-VNCYPQDWSA-N -1 3 276.361 3.346 20 30 CGEDHM CC[C@H](Cc1ccccc1)/N=C\c1ccc(O)c([O-])c1O ZINC000727781088 571768916 /nfs/dbraw/zinc/76/89/16/571768916.db2.gz DGAAKURYKLEVLP-JVVDOCDTSA-N -1 3 285.343 3.244 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC(C)(C)C)nc1-2 ZINC000750727890 571779362 /nfs/dbraw/zinc/77/93/62/571779362.db2.gz ATQIRTQTXHMVTO-OKPNEXGHSA-N -1 3 282.347 3.045 20 30 CGEDHM COc1cccc([O-])c1C=NNc1cccc2cnccc21 ZINC000728432592 571806338 /nfs/dbraw/zinc/80/63/38/571806338.db2.gz XVZVYUFNFLPBQO-UHFFFAOYSA-N -1 3 293.326 3.395 20 30 CGEDHM CC(=NNCCCOc1ccccc1)c1ccc(C)cc1[O-] ZINC000729147496 571878586 /nfs/dbraw/zinc/87/85/86/571878586.db2.gz FDWLMLYFGCDGRT-UHFFFAOYSA-N -1 3 298.386 3.483 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H](C)Cc1c(C)noc1C ZINC000737442246 572343862 /nfs/dbraw/zinc/34/38/62/572343862.db2.gz ATSYYKCECXUIRI-VJCPFXPRSA-N -1 3 288.347 3.056 20 30 CGEDHM N#Cc1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000737727960 572360343 /nfs/dbraw/zinc/36/03/43/572360343.db2.gz VHUMYQKBSHNBFH-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000737727960 572360347 /nfs/dbraw/zinc/36/03/47/572360347.db2.gz VHUMYQKBSHNBFH-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=NNc1ccc(F)cn1 ZINC000731318004 572406829 /nfs/dbraw/zinc/40/68/29/572406829.db2.gz FQCWLRDYCTUIRY-UHFFFAOYSA-N -1 3 265.675 3.026 20 30 CGEDHM C#CCOc1ccc(F)cc1N=Cc1c([O-])cccc1OC ZINC000741463453 572412477 /nfs/dbraw/zinc/41/24/77/572412477.db2.gz GBYPNALXANHLFS-UHFFFAOYSA-N -1 3 299.301 3.303 20 30 CGEDHM N#Cc1ccc(CN(C(=O)c2cc([O-])cs2)C2CC2)cc1 ZINC000732269870 572455854 /nfs/dbraw/zinc/45/58/54/572455854.db2.gz WNUBLPZJJZYEJO-UHFFFAOYSA-N -1 3 298.367 3.130 20 30 CGEDHM Cc1ccc(CC[C@H](C)/N=C/c2ccc(O)c([O-])c2O)o1 ZINC000741842115 572534186 /nfs/dbraw/zinc/53/41/86/572534186.db2.gz FEVRWKXOQCTGMI-VJCPFXPRSA-N -1 3 289.331 3.145 20 30 CGEDHM [O-]c1ccccc1C=NNc1ccc(OC(F)F)cc1 ZINC000726426792 572578414 /nfs/dbraw/zinc/57/84/14/572578414.db2.gz HTQMGTITCTYGAV-UHFFFAOYSA-N -1 3 278.258 3.440 20 30 CGEDHM Cc1cc(N(C)C)ccc1C/N=C/c1ccccc1[O-] ZINC000734366349 572649787 /nfs/dbraw/zinc/64/97/87/572649787.db2.gz OFZXLXZVXXTOAU-LDADJPATSA-N -1 3 268.360 3.386 20 30 CGEDHM Cc1cccc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)c1C ZINC000734366282 572650046 /nfs/dbraw/zinc/65/00/46/572650046.db2.gz LPAZFMHFZAXPHM-HHGUGQKFSA-N -1 3 298.386 3.385 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H]1C[C@](C)(OC)C1(C)C ZINC000745976976 572846052 /nfs/dbraw/zinc/84/60/52/572846052.db2.gz PZPGQWWKTOSAQO-JZSRGSOXSA-N -1 3 277.364 3.023 20 30 CGEDHM CCC(CC)[C@@H](CC/N=C\c1ccc(O)c([O-])c1O)OC ZINC000746522536 572876139 /nfs/dbraw/zinc/87/61/39/572876139.db2.gz NLRYUNDAXNCAJB-AYCSXLNKSA-N -1 3 295.379 3.064 20 30 CGEDHM [O-]c1ccccc1/C=N/CCc1cc(F)ccc1F ZINC000746816809 572896839 /nfs/dbraw/zinc/89/68/39/572896839.db2.gz UXDHFYRRJBWTIK-VCHYOVAHSA-N -1 3 261.271 3.332 20 30 CGEDHM CCOc1ccc(/C=N/CCOCc2ccccc2)c([O-])c1 ZINC000746816273 572897105 /nfs/dbraw/zinc/89/71/05/572897105.db2.gz QOECIMNEWRJJNI-CPNJWEJPSA-N -1 3 299.370 3.427 20 30 CGEDHM C#CC[C@@H](OC(=O)c1cc2ccsc2[n-]1)C1CC1 ZINC000750775556 573176580 /nfs/dbraw/zinc/17/65/80/573176580.db2.gz UWFQVNNHVOXICA-GFCCVEGCSA-N -1 3 259.330 3.188 20 30 CGEDHM C[C@H]1CC[C@]2(CCN(Cc3cccc(C(=O)[O-])c3C#N)C2)C1 ZINC000833612083 605140706 /nfs/dbraw/zinc/14/07/06/605140706.db2.gz QGAYAZQXDRDULK-UGSOOPFHSA-N -1 3 298.386 3.269 20 30 CGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000822923428 606304482 /nfs/dbraw/zinc/30/44/82/606304482.db2.gz RNLNVEYDHMREKN-VOTSOKGWSA-N -1 3 288.376 3.091 20 30 CGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000822923428 606304484 /nfs/dbraw/zinc/30/44/84/606304484.db2.gz RNLNVEYDHMREKN-VOTSOKGWSA-N -1 3 288.376 3.091 20 30 CGEDHM CC1=CCC[C@@H](C)[C@H]1CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824852701 608289974 /nfs/dbraw/zinc/28/99/74/608289974.db2.gz QGZPYINSLGUBNP-DOMZBBRYSA-N -1 3 296.378 3.257 20 30 CGEDHM CC1=CCC[C@@H](C)[C@H]1CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824852701 608289976 /nfs/dbraw/zinc/28/99/76/608289976.db2.gz QGZPYINSLGUBNP-DOMZBBRYSA-N -1 3 296.378 3.257 20 30 CGEDHM C#CCCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823840779 608321229 /nfs/dbraw/zinc/32/12/29/608321229.db2.gz FUKZVAJTSZMDKN-LLVKDONJSA-N -1 3 272.377 3.074 20 30 CGEDHM C#CCCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823840779 608321231 /nfs/dbraw/zinc/32/12/31/608321231.db2.gz FUKZVAJTSZMDKN-LLVKDONJSA-N -1 3 272.377 3.074 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1nccs1 ZINC000050234231 618081208 /nfs/dbraw/zinc/08/12/08/618081208.db2.gz BYQAXXYTUOFHTD-RIYZIHGNSA-N -1 3 266.753 3.164 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2cc(Cl)ccc2F)c1O ZINC000255641900 618770816 /nfs/dbraw/zinc/77/08/16/618770816.db2.gz XFYJBPQYEXIVPM-UHFFFAOYSA-N -1 3 281.670 3.347 20 30 CGEDHM C=CCC1(O)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000895833647 619894831 /nfs/dbraw/zinc/89/48/31/619894831.db2.gz BRVPFBGAEHWWMJ-UHFFFAOYSA-N -1 3 299.773 3.088 20 30 CGEDHM C=CCN(CC=C)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000072938896 625386044 /nfs/dbraw/zinc/38/60/44/625386044.db2.gz PZWZRXAHUABKPW-UHFFFAOYSA-N -1 3 299.370 3.235 20 30 CGEDHM C[C@@H](F)CC/N=C/c1cc(Br)ccc1[O-] ZINC000840706701 620085566 /nfs/dbraw/zinc/08/55/66/620085566.db2.gz NQUONGVYEZQULB-WPIAHNSYSA-N -1 3 274.133 3.322 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CC12CCOCC2 ZINC000840710536 620119310 /nfs/dbraw/zinc/11/93/10/620119310.db2.gz SXFWWYLKZCOOLN-WPBJZHHJSA-N -1 3 265.740 3.034 20 30 CGEDHM Cn1nc(C/N=C/c2cc(Cl)ccc2[O-])cc1C1CC1 ZINC000899227654 620626709 /nfs/dbraw/zinc/62/67/09/620626709.db2.gz PCQONJRGKALSIB-CAOOACKPSA-N -1 3 289.766 3.276 20 30 CGEDHM C[C@@]1(C(=O)N([O-])Cc2cccc3ccccc32)CCCOC1 ZINC000901370836 620865496 /nfs/dbraw/zinc/86/54/96/620865496.db2.gz IBKIXQDJMQIVMS-GOSISDBHSA-N -1 3 299.370 3.374 20 30 CGEDHM CCn1cc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC000901369696 620865949 /nfs/dbraw/zinc/86/59/49/620865949.db2.gz FWHNVWKZBQQHLD-UHFFFAOYSA-N -1 3 295.342 3.088 20 30 CGEDHM O=C(CC[C@@H]1CCOC1)N([O-])Cc1cccc2ccccc21 ZINC000901371625 620866490 /nfs/dbraw/zinc/86/64/90/620866490.db2.gz WSHMQKASVUJDHZ-CQSZACIVSA-N -1 3 299.370 3.374 20 30 CGEDHM C=CCC(CC=C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371833 620866546 /nfs/dbraw/zinc/86/65/46/620866546.db2.gz JBDOISRIKZONCK-UHFFFAOYSA-N -1 3 263.312 3.312 20 30 CGEDHM COc1cc(C(=O)C=Cc2nc(C(C)C)c[nH]2)ccc1[O-] ZINC000901431762 620886595 /nfs/dbraw/zinc/88/65/95/620886595.db2.gz YTGQLJDBJYXHFB-SREVYHEPSA-N -1 3 286.331 3.143 20 30 CGEDHM C#CCCCCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000901620924 620962539 /nfs/dbraw/zinc/96/25/39/620962539.db2.gz ACHKNBTZROPNKY-QGZVFWFLSA-N -1 3 285.387 3.254 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)[C@H]1CCCO1 ZINC000904173192 621884489 /nfs/dbraw/zinc/88/44/89/621884489.db2.gz PDWNSWRCCRMDPL-SUMWQHHRSA-N -1 3 299.370 3.373 20 30 CGEDHM O=C(N([O-])Cc1ccc(F)cc1)C12CCC(CC1)C2 ZINC000904173678 621885015 /nfs/dbraw/zinc/88/50/15/621885015.db2.gz OGRKDSVGPAGIEV-UHFFFAOYSA-N -1 3 263.312 3.124 20 30 CGEDHM O=C(CC[C@@H]1CCCCO1)N([O-])Cc1ccccc1Cl ZINC000904188380 621886194 /nfs/dbraw/zinc/88/61/94/621886194.db2.gz CPZBUDLSRKJIBR-ZDUSSCGKSA-N -1 3 297.782 3.407 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC000904213306 621890885 /nfs/dbraw/zinc/89/08/85/621890885.db2.gz NZOUDZDCNRJBCD-MFKMUULPSA-N -1 3 283.393 3.016 20 30 CGEDHM CCCCN([O-])C(=O)C1(C(F)(F)F)CCCC1 ZINC000904214699 621890905 /nfs/dbraw/zinc/89/09/05/621890905.db2.gz JZMJQKITPHQUFM-UHFFFAOYSA-N -1 3 253.264 3.127 20 30 CGEDHM CC(C)OCCC/N=C/c1cc(Cl)ccc1[O-] ZINC000060803480 623072411 /nfs/dbraw/zinc/07/24/11/623072411.db2.gz LRQOSKCXYPKZHJ-OQLLNIDSSA-N -1 3 255.745 3.280 20 30 CGEDHM C=CCCOCC/N=C/c1cc(Cl)ccc1[O-] ZINC000154800109 624373161 /nfs/dbraw/zinc/37/31/61/624373161.db2.gz SWJJAFLRRANJPV-XNTDXEJSSA-N -1 3 253.729 3.057 20 30 CGEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000121327874 626194863 /nfs/dbraw/zinc/19/48/63/626194863.db2.gz NQQGPXOYAYQNNS-UHFFFAOYSA-N -1 3 297.329 3.115 20 30 CGEDHM CCOc1cc(C=NO[C@@H]2CCCCO2)cc(Cl)c1[O-] ZINC000755813043 626649504 /nfs/dbraw/zinc/64/95/04/626649504.db2.gz AWSJYSGLOPLZHY-CYBMUJFWSA-N -1 3 299.754 3.321 20 30 CGEDHM C#CCCCC/N=C/c1cc(Br)ccc1[O-] ZINC000758358256 626838980 /nfs/dbraw/zinc/83/89/80/626838980.db2.gz HXGWHQZGEXJGEX-XNTDXEJSSA-N -1 3 280.165 3.377 20 30 CGEDHM C=CCCCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000805217609 627009665 /nfs/dbraw/zinc/00/96/65/627009665.db2.gz FXOAIIPEKUIJAX-UHFFFAOYSA-N -1 3 298.386 3.394 20 30 CGEDHM CCC(N=Nc1cc(C)ccn1)c1ccc([O-])c(F)c1 ZINC000764696990 627218749 /nfs/dbraw/zinc/21/87/49/627218749.db2.gz SMUGXHHCVUYJLI-UHFFFAOYSA-N -1 3 273.311 3.461 20 30 CGEDHM CCC(N=Nc1ccc(F)cn1)c1ccc([O-])c(F)c1 ZINC000764693259 627218996 /nfs/dbraw/zinc/21/89/96/627218996.db2.gz VFNKNYMMOWNFOW-UHFFFAOYSA-N -1 3 277.274 3.292 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cccc3nccn32)ccc1[O-] ZINC000769608534 627569150 /nfs/dbraw/zinc/56/91/50/627569150.db2.gz CTIRDEATVAWDIU-VURMDHGXSA-N -1 3 278.311 3.244 20 30 CGEDHM CC(N=Nc1ccccc1[N+](=O)[O-])c1sccc1[O-] ZINC000769764824 627576998 /nfs/dbraw/zinc/57/69/98/627576998.db2.gz DBWSXCCKPGPHRM-UHFFFAOYSA-N -1 3 277.305 3.198 20 30 CGEDHM CC(=NNCC(C)C)c1ccc(Br)cc1[O-] ZINC000771567729 627716870 /nfs/dbraw/zinc/71/68/70/627716870.db2.gz SCMAXXUABJIKMN-UHFFFAOYSA-N -1 3 285.185 3.124 20 30 CGEDHM CC(C)(C#N)CCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000776391473 628203576 /nfs/dbraw/zinc/20/35/76/628203576.db2.gz MZOSXYMXZPOVNB-UHFFFAOYSA-N -1 3 285.702 3.281 20 30 CGEDHM [O-]c1ccc(CN=Nc2cc(Cl)ccn2)cc1F ZINC000777905500 628309605 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ZINC001306897493 932763381 /nfs/dbraw/zinc/76/33/81/932763381.db2.gz OVQJUWCTLFRLIB-CYBMUJFWSA-N -1 3 294.351 3.181 20 30 CGEDHM CCCCN([O-])C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC001306897352 932893532 /nfs/dbraw/zinc/89/35/32/932893532.db2.gz JJCBAJLHTYPFAY-UHFFFAOYSA-N -1 3 278.283 3.112 20 30 CGEDHM CCCCN([O-])C(=O)CCc1ccc(OC)c(Cl)c1 ZINC001472621276 937778664 /nfs/dbraw/zinc/77/86/64/937778664.db2.gz NTLBKYPHISKOHC-UHFFFAOYSA-N -1 3 285.771 3.299 20 30 CGEDHM C[C@@H]1CCN(C(=O)c2csc(C#N)c2)c2c([O-])cccc21 ZINC001328001509 935108089 /nfs/dbraw/zinc/10/80/89/935108089.db2.gz OQYUCWXWORTIRP-SNVBAGLBSA-N -1 3 298.367 3.479 20 30 CGEDHM O=C(c1cnc(C2CC2)s1)N([O-])Cc1ccc(F)cc1 ZINC001334072023 936083847 /nfs/dbraw/zinc/08/38/47/936083847.db2.gz RUIZBGHDGDMZAO-UHFFFAOYSA-N -1 3 292.335 3.191 20 30 CGEDHM CSc1c(F)cccc1[N-]C(=O)c1coc(C#N)c1 ZINC001531818826 938083203 /nfs/dbraw/zinc/08/32/03/938083203.db2.gz HLADJQZEIQUGJX-UHFFFAOYSA-N -1 3 276.292 3.265 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001559035280 938219155 /nfs/dbraw/zinc/21/91/55/938219155.db2.gz KHCHBXVZRGWRMD-OAHLLOKOSA-N -1 3 290.407 3.408 20 30 CGEDHM CCCCN([O-])C(=O)c1nc(Cl)ccc1Cl ZINC001559035260 938219212 /nfs/dbraw/zinc/21/92/12/938219212.db2.gz JCGYASJVNRZUNE-UHFFFAOYSA-N -1 3 263.124 3.020 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](C)c1ccc(C)o1 ZINC001559034772 938219324 /nfs/dbraw/zinc/21/93/24/938219324.db2.gz PBGAQHBUETWOAV-LBPRGKRZSA-N -1 3 253.342 3.490 20 30 CGEDHM CCC#C[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001559615512 938230937 /nfs/dbraw/zinc/23/09/37/938230937.db2.gz DMLBPOBKGBNUIR-CQSZACIVSA-N -1 3 285.387 3.089 20 30 CGEDHM N#Cc1c(F)cc(Nc2ccc(F)c([O-])c2)cc1F ZINC001203675693 957891624 /nfs/dbraw/zinc/89/16/24/957891624.db2.gz WDIXHSZWPKMHNU-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM C=CC[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC001588539652 963283962 /nfs/dbraw/zinc/28/39/62/963283962.db2.gz SVVMYGBSBNLKOT-MRVPVSSYSA-N -1 3 264.329 3.063 20 30 CGEDHM C=CC[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC001588539652 963283972 /nfs/dbraw/zinc/28/39/72/963283972.db2.gz SVVMYGBSBNLKOT-MRVPVSSYSA-N -1 3 264.329 3.063 20 30 CGEDHM C=CCC[C@H](CC)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588577829 963286837 /nfs/dbraw/zinc/28/68/37/963286837.db2.gz OPRQCBQMELOCJW-LBPRGKRZSA-N -1 3 287.367 3.032 20 30 CGEDHM C=CCC[C@H](CC)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588577829 963286849 /nfs/dbraw/zinc/28/68/49/963286849.db2.gz OPRQCBQMELOCJW-LBPRGKRZSA-N -1 3 287.367 3.032 20 30 CGEDHM C[C@@H](CN(C)Cc1cccc(C(=O)[O-])c1C#N)C(C)(C)C ZINC001592584569 978503726 /nfs/dbraw/zinc/50/37/26/978503726.db2.gz JQDJYZDQQCMYNZ-LBPRGKRZSA-N -1 3 288.391 3.370 20 30 CGEDHM C[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001593203809 994190331 /nfs/dbraw/zinc/19/03/31/994190331.db2.gz HYTIVGULPOEGLW-RYUDHWBXSA-N -1 3 295.342 3.063 20 30 CGEDHM CCc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000436807520 529606445 /nfs/dbraw/zinc/60/64/45/529606445.db2.gz IKPJZHAMYFOSAI-LBPRGKRZSA-N 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WLCBJQPRYTWEKX-SNVBAGLBSA-N -1 3 294.767 3.014 20 30 CGEDHM CCc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)ccc1[O-] ZINC000341663170 216055246 /nfs/dbraw/zinc/05/52/46/216055246.db2.gz ZDVBBBFUOFRHDJ-UHFFFAOYSA-N -1 3 294.354 3.098 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1 ZINC000537644560 376189603 /nfs/dbraw/zinc/18/96/03/376189603.db2.gz NZAAQCRDIYIPRT-OAHLLOKOSA-N -1 3 298.317 3.088 20 30 CGEDHM N#CCSc1nnc([N-]c2ccccc2F)s1 ZINC000003531821 368512219 /nfs/dbraw/zinc/51/22/19/368512219.db2.gz RJTCIZAQYBXKHV-UHFFFAOYSA-N -1 3 266.326 3.036 20 30 CGEDHM N#CC(=C([O-])c1nccc2ccccc21)c1ccccn1 ZINC000073088466 369849624 /nfs/dbraw/zinc/84/96/24/369849624.db2.gz MPEOMBAZIPFVLF-AWEZNQCLSA-N -1 3 273.295 3.120 20 30 CGEDHM CCc1nnc(Sc2cccc([O-])c2)c(C#N)c1CC ZINC000130420913 371031985 /nfs/dbraw/zinc/03/19/85/371031985.db2.gz UCWNNIIBFPANMI-UHFFFAOYSA-N -1 3 285.372 3.330 20 30 CGEDHM N#CC(=C([O-])c1cccc2ncccc21)c1ccccn1 ZINC000181035149 374072481 /nfs/dbraw/zinc/07/24/81/374072481.db2.gz OJQRUUMAKRXARA-CQSZACIVSA-N -1 3 273.295 3.120 20 30 CGEDHM CCC(CC)n1nc(C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000181035257 374072506 /nfs/dbraw/zinc/07/25/06/374072506.db2.gz KLZWLRAMTTYPHY-CQSZACIVSA-N -1 3 296.374 3.438 20 30 CGEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc([O-])c1 ZINC000182188938 374230868 /nfs/dbraw/zinc/23/08/68/374230868.db2.gz VJOXBFQGQGRXOK-UHFFFAOYSA-N -1 3 296.326 3.303 20 30 CGEDHM CC(C)(C#N)c1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000181893095 374187930 /nfs/dbraw/zinc/18/79/30/374187930.db2.gz HFBDEJZHYRQXFC-UHFFFAOYSA-N -1 3 280.327 3.446 20 30 CGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([O-])c1 ZINC000182250120 374246378 /nfs/dbraw/zinc/24/63/78/374246378.db2.gz AXFCRUDIXKKFTL-UHFFFAOYSA-N -1 3 292.338 3.092 20 30 CGEDHM CCc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000189278472 375353506 /nfs/dbraw/zinc/35/35/06/375353506.db2.gz LYUHXERIFQHNAY-UHFFFAOYSA-N -1 3 294.354 3.098 20 30 CGEDHM C=CCCOCCCCC(=O)Nc1cccc([O-])c1F ZINC000539417676 376310768 /nfs/dbraw/zinc/31/07/68/376310768.db2.gz RVVIHILWFFETAV-UHFFFAOYSA-N -1 3 281.327 3.233 20 30 CGEDHM C=CCCO[C@@H](C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000264581769 190120485 /nfs/dbraw/zinc/12/04/85/190120485.db2.gz GYPJUGLESWXYIO-JTQLQIEISA-N -1 3 290.319 3.105 20 30 CGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ncccc1[O-] ZINC000566882425 377502520 /nfs/dbraw/zinc/50/25/20/377502520.db2.gz QKWDTBPAIGHVRC-NVXWUHKLSA-N -1 3 293.370 3.059 20 30 CGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1CCC(C)C ZINC000567361314 377505384 /nfs/dbraw/zinc/50/53/84/377505384.db2.gz XHUXYYNLCCXIRZ-CQSZACIVSA-N -1 3 294.420 3.319 20 30 CGEDHM Cc1ccoc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000345408461 378278705 /nfs/dbraw/zinc/27/87/05/378278705.db2.gz MWNHMVJORKFXBB-LLVKDONJSA-N -1 3 279.299 3.263 20 30 CGEDHM C=C(C)[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])OCC ZINC000270066975 378302112 /nfs/dbraw/zinc/30/21/12/378302112.db2.gz AHIDHDOGXJRVFP-ZDUSSCGKSA-N -1 3 283.755 3.355 20 30 CGEDHM C=CC[C@H](C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000270407677 378347628 /nfs/dbraw/zinc/34/76/28/378347628.db2.gz KVJSSCHTLFQXID-QMMMGPOBSA-N -1 3 275.245 3.137 20 30 CGEDHM C=CC[C@@H]1N(C(=O)c2ccc3n[n-]nc3c2)CCCC1(C)C ZINC000277906730 379260979 /nfs/dbraw/zinc/26/09/79/379260979.db2.gz GLUAXRLIGBBLCE-HNNXBMFYSA-N -1 3 298.390 3.165 20 30 CGEDHM C=C1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000280526812 379723727 /nfs/dbraw/zinc/72/37/27/379723727.db2.gz NGDWWBXTHYJSRM-UHFFFAOYSA-N -1 3 285.265 3.203 20 30 CGEDHM Cc1ocnc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000334828637 207150003 /nfs/dbraw/zinc/15/00/03/207150003.db2.gz JKJFJWSOZWCVOW-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM Cc1ncccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361540060 381793267 /nfs/dbraw/zinc/79/32/67/381793267.db2.gz IAEABAHJBFEKDQ-MRXNPFEDSA-N -1 3 287.322 3.428 20 30 CGEDHM CCc1cccc(C(=O)N(C)Cc2cccc(C#N)c2)c1[O-] ZINC000530959872 392987574 /nfs/dbraw/zinc/98/75/74/392987574.db2.gz STUAUHMMXODAKR-UHFFFAOYSA-N -1 3 294.354 3.098 20 30 CGEDHM C=CCCC[C@@H](C)Sc1[n-]c(=O)nc(C)c1C(=O)OC ZINC000360572618 393570638 /nfs/dbraw/zinc/57/06/38/393570638.db2.gz XTTAVYPEFSHQEP-SECBINFHSA-N -1 3 296.392 3.114 20 30 CGEDHM C=CCOc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000041481428 397611396 /nfs/dbraw/zinc/61/13/96/397611396.db2.gz CFQNBDFLUHZQMX-AWEZNQCLSA-N -1 3 278.311 3.136 20 30 CGEDHM N#CC(=C([O-])c1cncc(F)c1)c1ccc2ccccc2n1 ZINC000675268607 543324873 /nfs/dbraw/zinc/32/48/73/543324873.db2.gz UIENTABKEPYLSR-CQSZACIVSA-N -1 3 291.285 3.259 20 30 CGEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2=O)c1ccccn1 ZINC000344739428 225146824 /nfs/dbraw/zinc/14/68/24/225146824.db2.gz NJLCIUZJFHOADU-OAHLLOKOSA-N -1 3 290.322 3.091 20 30 CGEDHM C=CCN(Cc1ccccc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000297824218 260135937 /nfs/dbraw/zinc/13/59/37/260135937.db2.gz JJTZSQPWDKECNC-CQSZACIVSA-N -1 3 283.375 3.240 20 30 CGEDHM Cc1cc(N2CCOCC2)ccc1/N=C/c1ccccc1[O-] ZINC000075533423 260290726 /nfs/dbraw/zinc/29/07/26/260290726.db2.gz XIHVFQCCDNJUOK-CPNJWEJPSA-N -1 3 296.370 3.288 20 30 CGEDHM C=C(C)CS(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O ZINC000518152820 260346865 /nfs/dbraw/zinc/34/68/65/260346865.db2.gz CWOLFVJEPIECFT-UHFFFAOYSA-N -1 3 283.393 3.008 20 30 CGEDHM [O-]c1ccccc1/C=N/[C@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000162322541 261277127 /nfs/dbraw/zinc/27/71/27/261277127.db2.gz ILTGIADYXYVOEU-NIGJRVOOSA-N -1 3 271.360 3.159 20 30 CGEDHM CC[C@@H](CC#N)NCc1cc(Br)cc(C)c1[O-] ZINC000184082606 262007156 /nfs/dbraw/zinc/00/71/56/262007156.db2.gz JMUOVQPRCJHCFD-LBPRGKRZSA-N -1 3 297.196 3.245 20 30 CGEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccsc1)c1ccccn1 ZINC000187241824 262395173 /nfs/dbraw/zinc/39/51/73/262395173.db2.gz JMZBXXHQSWWYCU-LLVKDONJSA-N -1 3 294.339 3.023 20 30 CGEDHM CCN(CC#N)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273513941 263017577 /nfs/dbraw/zinc/01/75/77/263017577.db2.gz PPRCYIQCXBWBKC-UHFFFAOYSA-N -1 3 296.370 3.317 20 30 CGEDHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])C1CCOCC1 ZINC000331229914 264151976 /nfs/dbraw/zinc/15/19/76/264151976.db2.gz GZTDTVLFEKRGHA-AWEZNQCLSA-N -1 3 277.364 3.210 20 30 CGEDHM CC[C@@H](CC#N)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331233788 264173425 /nfs/dbraw/zinc/17/34/25/264173425.db2.gz KECJZERYHDZSTQ-NSHDSACASA-N -1 3 288.347 3.103 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000537587145 288535324 /nfs/dbraw/zinc/53/53/24/288535324.db2.gz PSUJZUQKWZWPGB-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM N#CC(=C([O-])c1ccccc1OCC1CC1)c1ccccn1 ZINC000102118874 328395189 /nfs/dbraw/zinc/39/51/89/328395189.db2.gz XJNMEFWZSLETSP-HNNXBMFYSA-N -1 3 292.338 3.360 20 30 CGEDHM C=CCN(CCC#N)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436835195 330686270 /nfs/dbraw/zinc/68/62/70/330686270.db2.gz COPVZYMAHHRKSH-UHFFFAOYSA-N -1 3 272.348 3.057 20 30 CGEDHM C#C[C@H]([N-]C(=O)CC(F)(F)F)c1ccc(Cl)cc1F ZINC000491181267 332161632 /nfs/dbraw/zinc/16/16/32/332161632.db2.gz RRUBSHOTLPYTDE-JTQLQIEISA-N -1 3 293.647 3.222 20 30 CGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000350412567 527139683 /nfs/dbraw/zinc/13/96/83/527139683.db2.gz LBKMADRQDGPIAA-VIFPVBQESA-N -1 3 297.351 3.123 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H](C)c1nc(C)cs1 ZINC000727653374 571760965 /nfs/dbraw/zinc/76/09/65/571760965.db2.gz MGQPKEIKKMJSCV-XVBMGZJVSA-N -1 3 276.361 3.346 20 30 CGEDHM Cc1cc(C#N)ccc1Oc1nc2ccccc2c(=O)[n-]1 ZINC000728050380 571786159 /nfs/dbraw/zinc/78/61/59/571786159.db2.gz CIOUDROYTCJCSH-UHFFFAOYSA-N -1 3 277.283 3.308 20 30 CGEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)ccc1O ZINC000728231646 571797307 /nfs/dbraw/zinc/79/73/07/571797307.db2.gz MRTYUHYDZLBZOB-UTCJRWHESA-N -1 3 284.311 3.311 20 30 CGEDHM Cc1ccc([O-])c(C=NNc2ccc(Cl)cc2)n1 ZINC000728777853 571820245 /nfs/dbraw/zinc/82/02/45/571820245.db2.gz MHOIBZYVQGUQMA-UHFFFAOYSA-N -1 3 261.712 3.195 20 30 CGEDHM CCOc1ccc(/C=N\Cc2scnc2C)c([O-])c1 ZINC000729150750 571879092 /nfs/dbraw/zinc/87/90/92/571879092.db2.gz XURJQCFDVNTJQQ-CHHVJCJISA-N -1 3 276.361 3.175 20 30 CGEDHM CC(=NNc1ccnc2ccccc21)c1ccc([O-])cc1F ZINC000730147737 571951005 /nfs/dbraw/zinc/95/10/05/571951005.db2.gz JFAWKWLNIQNKIN-UHFFFAOYSA-N -1 3 295.317 3.338 20 30 CGEDHM N#CCOc1cccc(/C=C/C(=O)c2cccc([O-])c2)c1 ZINC000730151278 571951865 /nfs/dbraw/zinc/95/18/65/571951865.db2.gz JHDOGAQDPHRNCF-BQYQJAHWSA-N -1 3 279.295 3.191 20 30 CGEDHM Cc1cc(C)cc([C@H](C)/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000730434280 572353386 /nfs/dbraw/zinc/35/33/86/572353386.db2.gz IQPZBKXDYUCZMO-CCSWUNFSSA-N -1 3 298.386 3.385 20 30 CGEDHM C=CCN(Cc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000731872284 572430991 /nfs/dbraw/zinc/43/09/91/572430991.db2.gz BWQBNHKNRRJXBB-UHFFFAOYSA-N -1 3 273.357 3.282 20 30 CGEDHM C[C@H](/N=C\c1ccc(O)c([O-])c1O)C1CCCCC1 ZINC000741466115 572500615 /nfs/dbraw/zinc/50/06/15/572500615.db2.gz FDFZUOJUMIBITQ-XBTXGSBDSA-N -1 3 263.337 3.191 20 30 CGEDHM C#CCOc1ccc(F)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000741642483 572515762 /nfs/dbraw/zinc/51/57/62/572515762.db2.gz LMODRTCHUGNVKL-UHFFFAOYSA-N -1 3 299.301 3.104 20 30 CGEDHM COc1cccc([O-])c1C=NNc1cccc(F)c1F ZINC000743443014 572662152 /nfs/dbraw/zinc/66/21/52/572662152.db2.gz NGUSUMQFTYLQRG-UHFFFAOYSA-N -1 3 278.258 3.125 20 30 CGEDHM COc1cccc([O-])c1C=Nc1cc(C#N)ccc1C ZINC000746340567 572866964 /nfs/dbraw/zinc/86/69/64/572866964.db2.gz KULCZOFGJRYKGN-UHFFFAOYSA-N -1 3 266.300 3.332 20 30 CGEDHM COc1cccc([O-])c1/C=N/CCc1cc(F)ccc1F ZINC000746817137 572896977 /nfs/dbraw/zinc/89/69/77/572896977.db2.gz WQBQPWJGTHKJIU-VXLYETTFSA-N -1 3 291.297 3.341 20 30 CGEDHM COC[C@@H](Cc1ccccc1)/N=C/c1c([O-])cccc1OC ZINC000746815328 572897048 /nfs/dbraw/zinc/89/70/48/572897048.db2.gz HDDQQOKOWJCGCI-IYSPOMMRSA-N -1 3 299.370 3.077 20 30 CGEDHM CCOc1ccc(/C=N\CCCOCC2CC2)c([O-])c1 ZINC000747714977 572942946 /nfs/dbraw/zinc/94/29/46/572942946.db2.gz AOAWWBKAVWHQFD-BOPFTXTBSA-N -1 3 277.364 3.027 20 30 CGEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000827718598 600762174 /nfs/dbraw/zinc/76/21/74/600762174.db2.gz WNJHFMYXOWYBEI-MEDUHNTESA-N -1 3 298.317 3.174 20 30 CGEDHM C[C@H]1CCC[C@@H](N(C)Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833607490 604604927 /nfs/dbraw/zinc/60/49/27/604604927.db2.gz GLMHYTFOSDKROV-GXTWGEPZSA-N -1 3 286.375 3.267 20 30 CGEDHM CC(C)(C)[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833424675 604606747 /nfs/dbraw/zinc/60/67/47/604606747.db2.gz LZGDTVUKLKJNOE-OAHLLOKOSA-N -1 3 286.375 3.267 20 30 CGEDHM C=C(CC)CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833369806 605014576 /nfs/dbraw/zinc/01/45/76/605014576.db2.gz FOTJJCLMTLJHIU-CYBMUJFWSA-N -1 3 287.281 3.128 20 30 CGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000822923427 606304446 /nfs/dbraw/zinc/30/44/46/606304446.db2.gz RNLNVEYDHMREKN-SREVYHEPSA-N -1 3 288.376 3.091 20 30 CGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000822923427 606304447 /nfs/dbraw/zinc/30/44/47/606304447.db2.gz RNLNVEYDHMREKN-SREVYHEPSA-N -1 3 288.376 3.091 20 30 CGEDHM CC(C)=CCCC(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820005645 606433803 /nfs/dbraw/zinc/43/38/03/606433803.db2.gz VFNSTDWGWXTXOZ-UHFFFAOYSA-N -1 3 284.367 3.401 20 30 CGEDHM CC(C)=CCCC(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820005645 606433804 /nfs/dbraw/zinc/43/38/04/606433804.db2.gz VFNSTDWGWXTXOZ-UHFFFAOYSA-N -1 3 284.367 3.401 20 30 CGEDHM O=C(c1cc2ccccc2[nH]1)N([O-])Cc1ccc(F)cc1 ZINC000899895070 620733815 /nfs/dbraw/zinc/73/38/15/620733815.db2.gz GVQKZKRJJJRGKF-UHFFFAOYSA-N -1 3 284.290 3.339 20 30 CGEDHM CCC(CC)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000900093969 620761438 /nfs/dbraw/zinc/76/14/38/620761438.db2.gz DKWFRHDUPYTWRO-UHFFFAOYSA-N -1 3 253.317 3.370 20 30 CGEDHM CS[C@@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096798 620762466 /nfs/dbraw/zinc/76/24/66/620762466.db2.gz POGMZFTYXFNUTE-ZETCQYMHSA-N -1 3 294.203 3.463 20 30 CGEDHM COc1cc(C(=O)/C=C\c2cnn(C(C)C)c2)ccc1[O-] ZINC000255195704 618056850 /nfs/dbraw/zinc/05/68/50/618056850.db2.gz XBBVETPHZMWPTB-XQRVVYSFSA-N -1 3 286.331 3.074 20 30 CGEDHM C#Cc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000236558590 618864282 /nfs/dbraw/zinc/86/42/82/618864282.db2.gz PXQNLSFDSVMLDT-UHFFFAOYSA-N -1 3 271.703 3.279 20 30 CGEDHM C[C@@H]1COCC[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000794678070 619770527 /nfs/dbraw/zinc/77/05/27/619770527.db2.gz ZEVXWONCRZKAMT-YAGJMYGCSA-N -1 3 267.756 3.137 20 30 CGEDHM CCC[C@@H](C/N=C/c1cc(Cl)ccc1[O-])OC ZINC000840706841 620085936 /nfs/dbraw/zinc/08/59/36/620085936.db2.gz LHIFFWGSJRJTEP-AAWHYMEISA-N -1 3 255.745 3.280 20 30 CGEDHM C=CCC[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OCC ZINC000840708146 620092841 /nfs/dbraw/zinc/09/28/41/620092841.db2.gz DGBHNPPNBHKGKP-VGSSETLESA-N -1 3 295.766 3.362 20 30 CGEDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(C#N)ccc1F ZINC000928782296 620218165 /nfs/dbraw/zinc/21/81/65/620218165.db2.gz MTUNHKOLXVQBOA-UHFFFAOYSA-N -1 3 287.294 3.370 20 30 CGEDHM O=C(CCc1cccs1)N([O-])Cc1ccc(F)cc1 ZINC000901376181 620868578 /nfs/dbraw/zinc/86/85/78/620868578.db2.gz PVFLJNPBZWDMER-UHFFFAOYSA-N -1 3 279.336 3.238 20 30 CGEDHM COc1ccc(F)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376630 620868652 /nfs/dbraw/zinc/86/86/52/620868652.db2.gz WOIXZTXZRAASDG-UHFFFAOYSA-N -1 3 293.269 3.005 20 30 CGEDHM COc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1F ZINC000901376581 620868660 /nfs/dbraw/zinc/86/86/60/620868660.db2.gz WJLNCDZWWKCFAF-UHFFFAOYSA-N -1 3 293.269 3.005 20 30 CGEDHM COc1cc(C(=O)/C=C\c2cncn2C(C)C)ccc1[O-] ZINC000901431962 620886263 /nfs/dbraw/zinc/88/62/63/620886263.db2.gz ZSWCFNFZYMYOLO-ALCCZGGFSA-N -1 3 286.331 3.074 20 30 CGEDHM O=C([C@@H]1CCCOCC1)N([O-])CCCCc1ccccc1 ZINC000904197485 621887826 /nfs/dbraw/zinc/88/78/26/621887826.db2.gz FLGGZFFAXPKGLN-MRXNPFEDSA-N -1 3 291.391 3.044 20 30 CGEDHM CCCn1nc(C)c(-c2ccc([O-])cc2C#N)c1C ZINC000906177562 622169543 /nfs/dbraw/zinc/16/95/43/622169543.db2.gz FXHIBOIEFZFGHP-UHFFFAOYSA-N -1 3 255.321 3.154 20 30 CGEDHM CC(C)(C)c1nnc([N-]C(=O)c2ccsc2C#N)s1 ZINC000906370484 622229180 /nfs/dbraw/zinc/22/91/80/622229180.db2.gz NSNRXPNUDWEDQH-UHFFFAOYSA-N -1 3 292.389 3.021 20 30 CGEDHM COc1cc(C(=O)/C=C/c2cccnc2C)ccc1[O-] ZINC000171418487 623160825 /nfs/dbraw/zinc/16/08/25/623160825.db2.gz SJQXEZXQLANFPZ-FNORWQNLSA-N -1 3 269.300 3.000 20 30 CGEDHM C=CCN(C(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000232623476 623408748 /nfs/dbraw/zinc/40/87/48/623408748.db2.gz FQNGEZYDZUVUCZ-UHFFFAOYSA-N -1 3 253.729 3.082 20 30 CGEDHM CC(=NNC(=S)NC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000916343550 624146735 /nfs/dbraw/zinc/14/67/35/624146735.db2.gz HTJUFZOVTKTAKZ-UHFFFAOYSA-N -1 3 299.827 3.032 20 30 CGEDHM C=C(Br)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000921087512 624566146 /nfs/dbraw/zinc/56/61/46/624566146.db2.gz XQFXCPUSKSOATH-UHFFFAOYSA-N -1 3 298.180 3.154 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2ccccc2C#N)ccc1[O-] ZINC000755593965 626630673 /nfs/dbraw/zinc/63/06/73/626630673.db2.gz QSCXIIOAHDLYDS-TWGQIWQCSA-N -1 3 263.296 3.468 20 30 CGEDHM C=CCCCCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000805104618 626740835 /nfs/dbraw/zinc/74/08/35/626740835.db2.gz XIFICKHSPGICRF-UHFFFAOYSA-N -1 3 271.382 3.003 20 30 CGEDHM COc1cc(C(=O)/C=C\c2nc(Cl)cs2)ccc1[O-] ZINC000759076999 626872954 /nfs/dbraw/zinc/87/29/54/626872954.db2.gz UZZMSNIPIAIMJK-PLNGDYQASA-N -1 3 295.747 3.407 20 30 CGEDHM C#CCN(C(=O)c1cc(CC)ccc1[O-])C1CCCCC1 ZINC000769728710 627574453 /nfs/dbraw/zinc/57/44/53/627574453.db2.gz SDRQCBGJZPMSAE-UHFFFAOYSA-N -1 3 285.387 3.363 20 30 CGEDHM Cc1cccc(F)c1NN=Cc1ccc([O-])c(F)c1 ZINC000769839663 627583111 /nfs/dbraw/zinc/58/31/11/627583111.db2.gz FPXFMQQYFCOSJQ-UHFFFAOYSA-N -1 3 262.259 3.425 20 30 CGEDHM C=C(CC)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000773494684 627890281 /nfs/dbraw/zinc/89/02/81/627890281.db2.gz BHUSYDXVLZPSSV-UHFFFAOYSA-N -1 3 260.293 3.101 20 30 CGEDHM C=C(CC)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000773494684 627890283 /nfs/dbraw/zinc/89/02/83/627890283.db2.gz BHUSYDXVLZPSSV-UHFFFAOYSA-N -1 3 260.293 3.101 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)CC2CCCCC2)c1[O-] ZINC000775234047 628073256 /nfs/dbraw/zinc/07/32/56/628073256.db2.gz PDDLWLCVPKYAOL-SGEFVQMOSA-N -1 3 290.407 3.366 20 30 CGEDHM CCCCCCCCNC(=O)c1cccc2n[n-]nc21 ZINC000783690918 628740088 /nfs/dbraw/zinc/74/00/88/628740088.db2.gz OCZXDMKKQVCUFC-UHFFFAOYSA-N -1 3 274.368 3.048 20 30 CGEDHM 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ZINC001171047900 807972379 /nfs/dbraw/zinc/97/23/79/807972379.db2.gz JFQVHOABYLOINT-YBFXNURJSA-N -1 3 290.326 3.080 20 30 CGEDHM Cc1ccc(-c2ccccc2)cc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171369642 808037589 /nfs/dbraw/zinc/03/75/89/808037589.db2.gz XOXHGADRAADQRY-GUYCJALGSA-N -1 3 296.370 3.310 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(CO)c(Cl)c2)c1 ZINC001212892585 815179042 /nfs/dbraw/zinc/17/90/42/815179042.db2.gz JRIINLRXRWNNOY-UHFFFAOYSA-N -1 3 274.707 3.153 20 30 CGEDHM N#Cc1cc2c(ccn2-c2c(F)ccc([O-])c2F)c(N)c1 ZINC001175268252 809332213 /nfs/dbraw/zinc/33/22/13/809332213.db2.gz PEBOXGPOBPISBI-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM CCCCCCC[C@@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001181133122 810039441 /nfs/dbraw/zinc/03/94/41/810039441.db2.gz NVOREZHYRWAUFH-GFCCVEGCSA-N -1 3 295.427 3.079 20 30 CGEDHM CCCCCCN([O-])C(=O)CC[C@H]1CCCCO1 ZINC001184305933 810189946 /nfs/dbraw/zinc/18/99/46/810189946.db2.gz WZSJMAFRLZBZDC-CYBMUJFWSA-N -1 3 257.374 3.134 20 30 CGEDHM CCCCN([O-])C(=O)Cc1cccc(C(F)(F)F)c1 ZINC001184314650 810190687 /nfs/dbraw/zinc/19/06/87/810190687.db2.gz DZHJITCFIUCWIB-UHFFFAOYSA-N -1 3 275.270 3.266 20 30 CGEDHM Cc1cc(C#N)c([N-]C(=O)c2cnc(C3CC3)o2)s1 ZINC001185197317 810244138 /nfs/dbraw/zinc/24/41/38/810244138.db2.gz UTBLLQIDKWSFSG-UHFFFAOYSA-N -1 3 273.317 3.046 20 30 CGEDHM C[C@H](CCc1ccccc1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001186020167 810310230 /nfs/dbraw/zinc/31/02/30/810310230.db2.gz BLQUZGWEMKXFHF-CYBMUJFWSA-N -1 3 294.354 3.471 20 30 CGEDHM C=CCN(C(=O)c1ccc(=O)[n-]c1Cl)C1CCCCC1 ZINC001190910408 810655193 /nfs/dbraw/zinc/65/51/93/810655193.db2.gz QYVIDQUKOWNLJU-UHFFFAOYSA-N -1 3 294.782 3.402 20 30 CGEDHM CC(C)(C)c1noc([N-]C(=O)Nc2ccccc2)c1C#N ZINC001201947760 811980132 /nfs/dbraw/zinc/98/01/32/811980132.db2.gz LWFBAEPOUUADHA-UHFFFAOYSA-N -1 3 284.319 3.488 20 30 CGEDHM N#Cc1cc2c(ccn2-c2cc(F)c([O-])cc2F)c(N)c1 ZINC001215573866 815538981 /nfs/dbraw/zinc/53/89/81/815538981.db2.gz JOXKPVYDXSVYMS-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM Cc1cc2cc(Nc3cc(C#N)ccc3[O-])cnc2[nH]1 ZINC001204928530 812779935 /nfs/dbraw/zinc/77/99/35/812779935.db2.gz DGBNUOLKSBPMEI-UHFFFAOYSA-N -1 3 264.288 3.192 20 30 CGEDHM CC(C)Cn1cc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001205850258 813107533 /nfs/dbraw/zinc/10/75/33/813107533.db2.gz IFLODVDYCWXDOW-UHFFFAOYSA-N -1 3 287.367 3.440 20 30 CGEDHM N#Cc1cc(Nc2cc(F)cc(F)c2F)ccc1[O-] ZINC001206410130 813316855 /nfs/dbraw/zinc/31/68/55/813316855.db2.gz JFSMIAGONRZKNU-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM C[C@@H](O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001242648034 823080566 /nfs/dbraw/zinc/08/05/66/823080566.db2.gz CGBYDUNULCRKAN-IYPWXLATSA-N -1 3 259.280 3.354 20 30 CGEDHM CC(C)(C)n1ncc(C#N)c1Nc1ccc(F)cc1[O-] ZINC001210015125 814244395 /nfs/dbraw/zinc/24/43/95/814244395.db2.gz WAZWPNLJBLYXGX-UHFFFAOYSA-N -1 3 274.299 3.098 20 30 CGEDHM Cc1cc(C#N)ccc1Nc1ncc(Cl)cc1[O-] ZINC001210374544 814430277 /nfs/dbraw/zinc/43/02/77/814430277.db2.gz MRMCVMBUDVDXKS-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM COc1ncc(Nc2c(C#N)oc3ccccc32)cc1[O-] ZINC001216206275 815738358 /nfs/dbraw/zinc/73/83/58/815738358.db2.gz HXQCCYPOXFKCGO-UHFFFAOYSA-N -1 3 281.271 3.157 20 30 CGEDHM [O-]/N=C/c1ccc(-c2c[nH]c3ncccc23)cc1F ZINC001242864705 823157687 /nfs/dbraw/zinc/15/76/87/823157687.db2.gz VYMQLQQNLDIOFV-CNHKJKLMSA-N -1 3 255.252 3.177 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001222666516 816494950 /nfs/dbraw/zinc/49/49/50/816494950.db2.gz GUEGHLKPYGCQBU-UHFFFAOYSA-N -1 3 293.305 3.161 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001222666516 816494952 /nfs/dbraw/zinc/49/49/52/816494952.db2.gz GUEGHLKPYGCQBU-UHFFFAOYSA-N -1 3 293.305 3.161 20 30 CGEDHM COc1ccccc1[C@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225467690 817061953 /nfs/dbraw/zinc/06/19/53/817061953.db2.gz VNDSLUDTSOUEPY-NSHDSACASA-N -1 3 284.315 3.116 20 30 CGEDHM COc1ccccc1[C@@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225467689 817062499 /nfs/dbraw/zinc/06/24/99/817062499.db2.gz VNDSLUDTSOUEPY-LLVKDONJSA-N -1 3 284.315 3.116 20 30 CGEDHM CC(=O)c1ccc([O-])c(OC2CCC(C#N)CC2)c1 ZINC001225999020 817244786 /nfs/dbraw/zinc/24/47/86/817244786.db2.gz RYVBDDAQTNDEKX-UHFFFAOYSA-N -1 3 259.305 3.056 20 30 CGEDHM C#C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001226333269 817330713 /nfs/dbraw/zinc/33/07/13/817330713.db2.gz JGKSFLOUYUAGIG-AWEZNQCLSA-N -1 3 269.256 3.054 20 30 CGEDHM C#C[C@H](Oc1[n-]c(=O)nc2ccc(F)cc21)c1ccccc1 ZINC001226408334 817349225 /nfs/dbraw/zinc/34/92/25/817349225.db2.gz ISKBHMQXDHBTFF-HNNXBMFYSA-N -1 3 294.285 3.228 20 30 CGEDHM C=C[C@H](Oc1cc(=O)[n-]c(CC)n1)c1ccccc1 ZINC001226474977 817368396 /nfs/dbraw/zinc/36/83/96/817368396.db2.gz IVPAKFJMSFOCFP-LBPRGKRZSA-N -1 3 256.305 3.051 20 30 CGEDHM C#C[C@@H](CCCCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226477923 817370689 /nfs/dbraw/zinc/37/06/89/817370689.db2.gz ALKLJPKECNDERG-LBPRGKRZSA-N -1 3 276.332 3.261 20 30 CGEDHM C=C[C@H](CCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481075 817371635 /nfs/dbraw/zinc/37/16/35/817371635.db2.gz CBCLKFDYOYIYGO-SNVBAGLBSA-N -1 3 250.294 3.034 20 30 CGEDHM CCc1cnc(=S)[n-]c1O[C@@H](C#N)c1cccc(F)c1 ZINC001227064330 817547528 /nfs/dbraw/zinc/54/75/28/817547528.db2.gz RPXNOQRIDOMMQS-LBPRGKRZSA-N -1 3 289.335 3.110 20 30 CGEDHM COc1ccccc1[C@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227344692 817628195 /nfs/dbraw/zinc/62/81/95/817628195.db2.gz CKONTYKVGFXBNV-NSHDSACASA-N -1 3 269.300 3.412 20 30 CGEDHM COc1cccc([C@H](C)Oc2cc(C#N)ccc2[O-])c1 ZINC001227350278 817629335 /nfs/dbraw/zinc/62/93/35/817629335.db2.gz MFQCOMICSXAWMJ-NSHDSACASA-N -1 3 269.300 3.412 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@H](c2cccnc2)C2CC2)c1 ZINC001227351571 817630890 /nfs/dbraw/zinc/63/08/90/817630890.db2.gz VSOZROVISKMRJF-INIZCTEOSA-N -1 3 266.300 3.189 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@H]2CCc3cc(F)ccc32)c1 ZINC001227350864 817631391 /nfs/dbraw/zinc/63/13/91/817631391.db2.gz QEECOXIBDVWYTJ-HNNXBMFYSA-N -1 3 269.275 3.469 20 30 CGEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1cccc(N(C)C)c1 ZINC001227351863 817631547 /nfs/dbraw/zinc/63/15/47/817631547.db2.gz ZHFQKERBYZPXFZ-LBPRGKRZSA-N -1 3 282.343 3.470 20 30 CGEDHM C#C[C@H](Oc1nnc(-c2cccnc2)[n-]1)[C@H](CC)CCCC ZINC001228698190 817977952 /nfs/dbraw/zinc/97/79/52/817977952.db2.gz OQFTWLUWBNEAJQ-HIFRSBDPSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@H](Oc1nc(-c2cccnc2)n[n-]1)[C@H](CC)CCCC ZINC001228698190 817977957 /nfs/dbraw/zinc/97/79/57/817977957.db2.gz OQFTWLUWBNEAJQ-HIFRSBDPSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@H](Oc1n[n-]c(-c2ccncc2)n1)[C@H](CC)CCCC ZINC001228697263 817978182 /nfs/dbraw/zinc/97/81/82/817978182.db2.gz ISCGGTHCCGSJPR-HIFRSBDPSA-N -1 3 298.390 3.464 20 30 CGEDHM C[C@H](C#C[Si](C)(C)C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854754 818023161 /nfs/dbraw/zinc/02/31/61/818023161.db2.gz VURYFIDFWCYZCH-LLVKDONJSA-N -1 3 288.419 3.169 20 30 CGEDHM C=C(C)C[C@H](Oc1cccc(-c2nnn[n-]2)c1)C(=C)C ZINC001231122601 818036085 /nfs/dbraw/zinc/03/60/85/818036085.db2.gz VMSSQSSUILHIRQ-AWEZNQCLSA-N -1 3 270.336 3.156 20 30 CGEDHM C=C(C)C[C@H](Oc1cccc(-c2nn[n-]n2)c1)C(=C)C ZINC001231122601 818036088 /nfs/dbraw/zinc/03/60/88/818036088.db2.gz VMSSQSSUILHIRQ-AWEZNQCLSA-N -1 3 270.336 3.156 20 30 CGEDHM C=C[C@H](C#CC(C)(C)C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233803890 818708058 /nfs/dbraw/zinc/70/80/58/818708058.db2.gz UMZGAMDUXNPZQN-CRRKTRLDSA-N -1 3 287.359 3.486 20 30 CGEDHM CC[C@H](C)[C@@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233803038 818708097 /nfs/dbraw/zinc/70/80/97/818708097.db2.gz KUZYVHJHMJNMJF-ALNRQSLMSA-N -1 3 251.326 3.317 20 30 CGEDHM C[C@@H](C#C[Si](C)(C)C)Oc1cccc([O-])c1F ZINC001233870451 818720656 /nfs/dbraw/zinc/72/06/56/818720656.db2.gz DMROKRNCKAEFOI-JTQLQIEISA-N -1 3 252.361 3.179 20 30 CGEDHM C#C[C@H](CCCC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690524 818915739 /nfs/dbraw/zinc/91/57/39/818915739.db2.gz CHRDQWYHUGLZNV-CQSZACIVSA-N -1 3 282.343 3.420 20 30 CGEDHM C#C[C@H]1CCC[C@@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234692312 818917262 /nfs/dbraw/zinc/91/72/62/818917262.db2.gz NJDGIAFVTXGMOE-JSGCOSHPSA-N -1 3 280.327 3.030 20 30 CGEDHM COc1ccc(CC#N)cc1-c1cccc([O-])c1F ZINC001243545183 823437991 /nfs/dbraw/zinc/43/79/91/823437991.db2.gz WPZNCIJEZKPZGO-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM N#Cc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccc1Cl ZINC001240403997 821023773 /nfs/dbraw/zinc/02/37/73/821023773.db2.gz BBYZICAAWVEBCN-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM N#Cc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccc1Cl ZINC001240403997 821023784 /nfs/dbraw/zinc/02/37/84/821023784.db2.gz BBYZICAAWVEBCN-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM CC(C)(O)c1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001240669350 821230412 /nfs/dbraw/zinc/23/04/12/821230412.db2.gz KWTBEEOQYPLYMM-MNDPQUGUSA-N -1 3 282.343 3.101 20 30 CGEDHM N#CC1(c2ccc(-c3ccc([O-])c(F)c3)nc2)CC1 ZINC001240782003 821321086 /nfs/dbraw/zinc/32/10/86/821321086.db2.gz OCASYSWRAWNWGU-UHFFFAOYSA-N -1 3 254.264 3.148 20 30 CGEDHM CC(C)(C#N)c1ccc(-c2cc([O-])cc(F)c2)cn1 ZINC001241271280 821690344 /nfs/dbraw/zinc/69/03/44/821690344.db2.gz PJNJLVGDHMGNFZ-UHFFFAOYSA-N -1 3 256.280 3.394 20 30 CGEDHM [O-]N=Cc1ccccc1-c1cnn(Cc2cccs2)c1 ZINC001242095859 822350248 /nfs/dbraw/zinc/35/02/48/822350248.db2.gz VERGRDOTHLWTPD-UHFFFAOYSA-N -1 3 283.356 3.468 20 30 CGEDHM Cc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cnc1C#N ZINC001242357219 822964731 /nfs/dbraw/zinc/96/47/31/822964731.db2.gz LKAUTNZXTPIREH-UHFFFAOYSA-N -1 3 265.341 3.224 20 30 CGEDHM C[C@H](O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001242555115 823030143 /nfs/dbraw/zinc/03/01/43/823030143.db2.gz SQEXBBWIJGVIOK-VJCPFXPRSA-N -1 3 259.280 3.354 20 30 CGEDHM N#Cc1ccc(F)c(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC001361132589 937227579 /nfs/dbraw/zinc/22/75/79/937227579.db2.gz QBKYSCHGMLTSNM-UHFFFAOYSA-N -1 3 294.207 3.367 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)/C=C/Sc1cc(F)ccc1F ZINC001452740863 937397713 /nfs/dbraw/zinc/39/77/13/937397713.db2.gz VDCOKPORWRTJBN-UCUJLANTSA-N -1 3 285.315 3.193 20 30 CGEDHM CCCCCCN([O-])C(=O)c1sccc1OC ZINC001458011771 937448458 /nfs/dbraw/zinc/44/84/58/937448458.db2.gz QABSBJVJBRBQOF-UHFFFAOYSA-N -1 3 257.355 3.168 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@@H]1COc2ccccc2O1 ZINC001458012797 937448652 /nfs/dbraw/zinc/44/86/52/937448652.db2.gz XPLYVHBCRYVRBN-CYBMUJFWSA-N -1 3 293.363 3.015 20 30 CGEDHM CSc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)o1 ZINC001458027132 937449378 /nfs/dbraw/zinc/44/93/78/937449378.db2.gz LZZPOOLTJPVWEP-UHFFFAOYSA-N -1 3 295.335 3.481 20 30 CGEDHM C#C[C@@H]1CCC[C@H]1Oc1cccc([O-])c1Br ZINC001229141101 932104452 /nfs/dbraw/zinc/10/44/52/932104452.db2.gz INVVZXDNPATJKH-MWLCHTKSSA-N -1 3 281.149 3.335 20 30 CGEDHM C#C[C@@H](Oc1nc(=S)[n-]c2sccc21)C(C)C ZINC001229566231 932172407 /nfs/dbraw/zinc/17/24/07/932172407.db2.gz MEVCHKYUOAFAIW-SECBINFHSA-N -1 3 264.375 3.017 20 30 CGEDHM C/C(=N\[O-])c1ccccc1O[C@H]1CCC(=O)CC1(C)C ZINC001229736977 932478184 /nfs/dbraw/zinc/47/81/84/932478184.db2.gz MWUJQMURICHLKE-VUVCFOEZSA-N -1 3 275.348 3.411 20 30 CGEDHM N#Cc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001306892720 932890943 /nfs/dbraw/zinc/89/09/43/932890943.db2.gz LNOWGJFHMJWJLB-UHFFFAOYSA-N -1 3 286.718 3.243 20 30 CGEDHM CCCCCCCC[N-]S(=O)(=O)c1cnc(C)s1 ZINC001463343636 937671952 /nfs/dbraw/zinc/67/19/52/937671952.db2.gz DKVNRWSWTGPBIQ-UHFFFAOYSA-N -1 3 290.454 3.090 20 30 CGEDHM C=CCn1c(SC[C@H]2CCCC[C@H]2C)n[n-]c1=O ZINC001473004778 937790341 /nfs/dbraw/zinc/79/03/41/937790341.db2.gz HEWJGSQHTOOVIU-GHMZBOCLSA-N -1 3 267.398 3.088 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccsc1C(F)F ZINC001526588043 938056356 /nfs/dbraw/zinc/05/63/56/938056356.db2.gz VTLKKEOELVDJID-VIFPVBQESA-N -1 3 295.314 3.392 20 30 CGEDHM CCCCN([O-])C(=O)CCc1ccc(Cl)cc1 ZINC001559035604 938219245 /nfs/dbraw/zinc/21/92/45/938219245.db2.gz YGBZEGMAWXGUGU-UHFFFAOYSA-N -1 3 255.745 3.291 20 30 CGEDHM C=C[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001566390861 960928772 /nfs/dbraw/zinc/92/87/72/960928772.db2.gz REGUOOIMMVAKHM-CYBMUJFWSA-N -1 3 281.355 3.287 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC001573329001 962245299 /nfs/dbraw/zinc/24/52/99/962245299.db2.gz GFFNQWHSKGQGEX-CHWSQXEVSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC001573329001 962245326 /nfs/dbraw/zinc/24/53/26/962245326.db2.gz GFFNQWHSKGQGEX-CHWSQXEVSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccncc1 ZINC001588458020 963277008 /nfs/dbraw/zinc/27/70/08/963277008.db2.gz OWOFTZZUWIXFDQ-CYBMUJFWSA-N -1 3 288.372 3.248 20 30 CGEDHM Cc1ccccc1[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000018137988 344889450 /nfs/dbraw/zinc/88/94/50/344889450.db2.gz VGONKWMXKVVGFY-DKSCHZSNSA-N -1 3 284.359 3.076 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000045217766 345022956 /nfs/dbraw/zinc/02/29/56/345022956.db2.gz OWHYPQINWHLKJK-LBPRGKRZSA-N -1 3 280.327 3.063 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000133921057 346079027 /nfs/dbraw/zinc/07/90/27/346079027.db2.gz DMTMSMQESPLLGK-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM CC[C@@H](C#N)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000593683815 347103928 /nfs/dbraw/zinc/10/39/28/347103928.db2.gz BPAPXYCBJJFCMH-JTQLQIEISA-N -1 3 260.337 3.178 20 30 CGEDHM C[C@@]1(C#N)CCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000597230720 347558991 /nfs/dbraw/zinc/55/89/91/347558991.db2.gz IIUVCFBXVRVGTB-ZDUSSCGKSA-N -1 3 284.281 3.147 20 30 CGEDHM C=CCCC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000601217939 347881999 /nfs/dbraw/zinc/88/19/99/347881999.db2.gz PSQHQOKTNCEWDZ-UHFFFAOYSA-N -1 3 265.313 3.100 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000617043703 348907163 /nfs/dbraw/zinc/90/71/63/348907163.db2.gz DDJPJSXFMBDMCV-HIFRSBDPSA-N -1 3 291.366 3.325 20 30 CGEDHM C=CCCC(C)(C)CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000633966929 351409126 /nfs/dbraw/zinc/40/91/26/351409126.db2.gz WEMXDNYNCSXLTK-UHFFFAOYSA-N -1 3 298.390 3.194 20 30 CGEDHM C#CCCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000179987968 189230795 /nfs/dbraw/zinc/23/07/95/189230795.db2.gz ATHRERPOHQIZAS-UHFFFAOYSA-N -1 3 299.292 3.447 20 30 CGEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000041520033 369189157 /nfs/dbraw/zinc/18/91/57/369189157.db2.gz BFMPWLYWBUFQDH-CYBMUJFWSA-N -1 3 286.356 3.340 20 30 CGEDHM CC(C)(C)c1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000049054918 369385115 /nfs/dbraw/zinc/38/51/15/369385115.db2.gz KNKKFEXOBMKFAI-JTQLQIEISA-N -1 3 285.372 3.326 20 30 CGEDHM CC[C@@H](CC#N)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000054182962 369497167 /nfs/dbraw/zinc/49/71/67/369497167.db2.gz XWOKGBBIXKNLHK-JTQLQIEISA-N -1 3 273.163 3.481 20 30 CGEDHM C=CCOc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000097680333 370250297 /nfs/dbraw/zinc/25/02/97/370250297.db2.gz LJYVCUYWPUNPEI-UHFFFAOYSA-N -1 3 299.326 3.218 20 30 CGEDHM N#Cc1ccc2nc(-c3cc(F)c([O-])c(F)c3)[nH]c2c1 ZINC000154232717 371828594 /nfs/dbraw/zinc/82/85/94/371828594.db2.gz LHZGUXXCJHSRKB-UHFFFAOYSA-N -1 3 271.226 3.085 20 30 CGEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000426755361 372171354 /nfs/dbraw/zinc/17/13/54/372171354.db2.gz YRFOAJLRVNIMFC-CXAGYDPISA-N -1 3 294.354 3.110 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(F)c(F)c1 ZINC000292599333 372196200 /nfs/dbraw/zinc/19/62/00/372196200.db2.gz HNHTYOUCGVZWMW-QMMMGPOBSA-N -1 3 275.245 3.353 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@](C)(CC)c1nccs1 ZINC000293044919 372288331 /nfs/dbraw/zinc/28/83/31/372288331.db2.gz AFSMZBNZGHXIMA-NSHDSACASA-N -1 3 274.336 3.096 20 30 CGEDHM C#CCCCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295235507 372711471 /nfs/dbraw/zinc/71/14/71/372711471.db2.gz ZQSFIKUYSQTOMF-UHFFFAOYSA-N -1 3 295.382 3.398 20 30 CGEDHM CCc1ccc(C(=O)NCC(C)(C)CCC#N)c([O-])c1 ZINC000436741950 372841044 /nfs/dbraw/zinc/84/10/44/372841044.db2.gz VCFWETHHBNIEIS-UHFFFAOYSA-N -1 3 274.364 3.014 20 30 CGEDHM CC(C)OCC/N=C/c1c([O-])ccc2ccccc21 ZINC000182166971 374228106 /nfs/dbraw/zinc/22/81/06/374228106.db2.gz QUMUUBJPWGMLEB-GZTJUZNOSA-N -1 3 257.333 3.389 20 30 CGEDHM C=C[C@H](C)ON=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000496903279 375564235 /nfs/dbraw/zinc/56/42/35/375564235.db2.gz QLCXIGLFZNHKNQ-VIFPVBQESA-N -1 3 297.380 3.415 20 30 CGEDHM C=C(Cl)COC(=O)c1cccc(Br)c1[O-] ZINC000730364156 572346459 /nfs/dbraw/zinc/34/64/59/572346459.db2.gz KFDIVARCRNNMNO-UHFFFAOYSA-N -1 3 291.528 3.064 20 30 CGEDHM CCC(C#N)(CC)C(=O)Nc1ccc([O-])cc1Cl ZINC000529516749 375927244 /nfs/dbraw/zinc/92/72/44/375927244.db2.gz JNWZVZIRQAECRG-UHFFFAOYSA-N -1 3 266.728 3.314 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000334283435 206306885 /nfs/dbraw/zinc/30/68/85/206306885.db2.gz JCBAJXOMPOKEQW-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1cc([O-])ccc1Cl ZINC000233439007 376598084 /nfs/dbraw/zinc/59/80/84/376598084.db2.gz SMCCVZIBEVIGAP-UHFFFAOYSA-N -1 3 253.729 3.084 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCc1sccc1Cl ZINC000339115353 376689856 /nfs/dbraw/zinc/68/98/56/376689856.db2.gz WFIBBSIEHYOUBM-UHFFFAOYSA-N -1 3 287.797 3.177 20 30 CGEDHM C=CCOc1ccccc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000339115374 376690239 /nfs/dbraw/zinc/69/02/39/376690239.db2.gz DUOUYBQAEGPNHL-HJWRWDBZSA-N -1 3 268.316 3.226 20 30 CGEDHM C=CCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCC1 ZINC000556892571 376901967 /nfs/dbraw/zinc/90/19/67/376901967.db2.gz MQYCRNZGTAXXDA-UHFFFAOYSA-N -1 3 273.332 3.280 20 30 CGEDHM CCc1cc(C(=O)Nc2cccc(C#N)c2)ccc1[O-] ZINC000341417875 377556879 /nfs/dbraw/zinc/55/68/79/377556879.db2.gz MDFPJAATTCXEGC-UHFFFAOYSA-N -1 3 266.300 3.079 20 30 CGEDHM C=C(C)[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])OCC ZINC000270458412 378354177 /nfs/dbraw/zinc/35/41/77/378354177.db2.gz QFMKRONOPGSGSF-CYBMUJFWSA-N -1 3 283.755 3.355 20 30 CGEDHM CCCOc1ccc(/C=N/[C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000271171416 378471259 /nfs/dbraw/zinc/47/12/59/378471259.db2.gz AGYOGAYWYZSDCQ-MVCPHERQSA-N -1 3 277.364 3.167 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000275580904 378958044 /nfs/dbraw/zinc/95/80/44/378958044.db2.gz IVRRTWDWLHSBGU-UHFFFAOYSA-N -1 3 287.344 3.129 20 30 CGEDHM C=CCN(CC=C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349286132 542525352 /nfs/dbraw/zinc/52/53/52/542525352.db2.gz RVVXUNYYYFSVIG-UHFFFAOYSA-N -1 3 267.328 3.360 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2cnc(CC)s2)s1 ZINC000065067609 392143165 /nfs/dbraw/zinc/14/31/65/392143165.db2.gz GOESNBYMXZPPTN-UHFFFAOYSA-N -1 3 291.401 3.453 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1ccoc1Br ZINC000193305630 392874755 /nfs/dbraw/zinc/87/47/55/392874755.db2.gz WNIWIFQCRYYFEN-UHFFFAOYSA-N -1 3 297.133 3.228 20 30 CGEDHM C=CCN(CCC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000359399485 393546384 /nfs/dbraw/zinc/54/63/84/393546384.db2.gz AYKPODIZFUCTEL-UHFFFAOYSA-N -1 3 280.327 3.087 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492337808 393720803 /nfs/dbraw/zinc/72/08/03/393720803.db2.gz AGOJRDSYDUHRFG-KTKRTIGZSA-N -1 3 278.311 3.224 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCCC1CCCCC1 ZINC000675297580 543327758 /nfs/dbraw/zinc/32/77/58/543327758.db2.gz WXZJJOGYAMCVRA-UHFFFAOYSA-N -1 3 267.398 3.232 20 30 CGEDHM N#CC(=C([O-])c1cc(Cl)cc(Cl)c1)c1ccncn1 ZINC000354481062 227010597 /nfs/dbraw/zinc/01/05/97/227010597.db2.gz XOKKCOZWQOOBSK-NSHDSACASA-N -1 3 292.125 3.273 20 30 CGEDHM C=CC[C@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000656759302 419210523 /nfs/dbraw/zinc/21/05/23/419210523.db2.gz BQARPCKRSUFIGH-NEPJUHHUSA-N -1 3 263.337 3.327 20 30 CGEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc2n[n-]nc2c1 ZINC000069788437 260292234 /nfs/dbraw/zinc/29/22/34/260292234.db2.gz LQTQLBOLGUSUPR-UHFFFAOYSA-N -1 3 298.390 3.166 20 30 CGEDHM [O-]c1ccccc1/C=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000162322143 261277038 /nfs/dbraw/zinc/27/70/38/261277038.db2.gz ILTGIADYXYVOEU-LNBSGRBDSA-N -1 3 271.360 3.159 20 30 CGEDHM CC(C)(C#N)CCO[N-]C(=O)c1c(F)cccc1Cl ZINC000281756749 263071778 /nfs/dbraw/zinc/07/17/78/263071778.db2.gz CHGIKLXFSDJIAP-UHFFFAOYSA-N -1 3 284.718 3.080 20 30 CGEDHM CCOc1cc(CN(C)C[C@@H](C)C#N)cc(Cl)c1[O-] ZINC000297739157 263208598 /nfs/dbraw/zinc/20/85/98/263208598.db2.gz KIHHCMGHHSGTBC-JTQLQIEISA-N -1 3 282.771 3.036 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@@]2(C)CCCOC2)c([O-])c1 ZINC000331235531 264174228 /nfs/dbraw/zinc/17/42/28/264174228.db2.gz LWBXWUHXEAMFOO-INIZCTEOSA-N -1 3 277.364 3.389 20 30 CGEDHM C=CC1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC1 ZINC000163436868 264358359 /nfs/dbraw/zinc/35/83/59/264358359.db2.gz BUTFBISUYTZMLL-UHFFFAOYSA-N -1 3 296.370 3.287 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000294384253 265015266 /nfs/dbraw/zinc/01/52/66/265015266.db2.gz BPGYVAUHYPZEPJ-GFCCVEGCSA-N -1 3 269.266 3.141 20 30 CGEDHM Cc1cccnc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361528513 266839431 /nfs/dbraw/zinc/83/94/31/266839431.db2.gz WFXIBNQGGPFUKM-HNNXBMFYSA-N -1 3 287.322 3.428 20 30 CGEDHM N#CC1CCC(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000291560629 328265078 /nfs/dbraw/zinc/26/50/78/328265078.db2.gz MZTYDAFZPKRHBQ-UHFFFAOYSA-N -1 3 292.766 3.105 20 30 CGEDHM C=CC(C)(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000577704520 335390450 /nfs/dbraw/zinc/39/04/50/335390450.db2.gz QLXPALLZTWYIHG-UHFFFAOYSA-N -1 3 284.153 3.305 20 30 CGEDHM Cc1ncc(C(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000195210580 336049609 /nfs/dbraw/zinc/04/96/09/336049609.db2.gz NGFNZDZTUZSWGP-UHFFFAOYSA-N -1 3 289.385 3.126 20 30 CGEDHM CC[C@H](C)c1cc(C(=O)[N-]c2ccc(F)cc2C#N)on1 ZINC000177573720 529273672 /nfs/dbraw/zinc/27/36/72/529273672.db2.gz SMYXGUBXNCDJCB-VIFPVBQESA-N -1 3 287.294 3.451 20 30 CGEDHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000451735160 535368619 /nfs/dbraw/zinc/36/86/19/535368619.db2.gz CMVFZVTWEJFZFM-NSHDSACASA-N -1 3 298.433 3.033 20 30 CGEDHM CC(N=Nc1nncc2ccccc21)c1ccc(F)cc1[O-] ZINC000727776989 571769166 /nfs/dbraw/zinc/76/91/66/571769166.db2.gz LBUFYCOGGMDFIQ-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM CC(=NNc1ccc(C)cn1)c1ccc([O-])c(F)c1 ZINC000728430081 571805332 /nfs/dbraw/zinc/80/53/32/571805332.db2.gz YLWUVNITIQRPMU-UHFFFAOYSA-N -1 3 259.284 3.071 20 30 CGEDHM Cc1ccc(N=NC(C)c2ccc([O-])c(F)c2)nc1 ZINC000728430081 571805335 /nfs/dbraw/zinc/80/53/35/571805335.db2.gz YLWUVNITIQRPMU-UHFFFAOYSA-N -1 3 259.284 3.071 20 30 CGEDHM CCC[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1ccccn1 ZINC000729149555 571879061 /nfs/dbraw/zinc/87/90/61/571879061.db2.gz LOLCYIRRUBLEFO-HIPMGEKLSA-N -1 3 286.331 3.159 20 30 CGEDHM Cc1cc(C(=O)/C=C2\COc3ccc(F)cc32)ccc1[O-] ZINC000729151693 571879585 /nfs/dbraw/zinc/87/95/85/571879585.db2.gz VVKPRPREQYORAR-KPKJPENVSA-N -1 3 284.286 3.498 20 30 CGEDHM COc1cccc([O-])c1/C=N/Cc1ccc(F)cc1F ZINC000745624130 571941222 /nfs/dbraw/zinc/94/12/22/571941222.db2.gz GLIMARWHUWQBJD-GIJQJNRQSA-N -1 3 277.270 3.298 20 30 CGEDHM Cc1ccc([C@@H](C)C/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000737440751 572343087 /nfs/dbraw/zinc/34/30/87/572343087.db2.gz NZCYCPWEPRUDDY-GJUHEBOISA-N -1 3 298.386 3.119 20 30 CGEDHM CC1(C)[C@H](/N=C/c2ccccc2[O-])[C@@H]2CCCO[C@@H]21 ZINC000741463348 572412421 /nfs/dbraw/zinc/41/24/21/572412421.db2.gz DIALJEPWRDFLRU-SLYZXBMNSA-N -1 3 259.349 3.015 20 30 CGEDHM COc1cccc(NN=C(C)c2ccccc2[O-])c1 ZINC000725852964 572445418 /nfs/dbraw/zinc/44/54/18/572445418.db2.gz ARQOQMKHJRVLFQ-UHFFFAOYSA-N -1 3 256.305 3.237 20 30 CGEDHM CC[C@@H]1CCC[C@H](/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000740763608 572455373 /nfs/dbraw/zinc/45/53/73/572455373.db2.gz MMTGAXWWDPHWFD-GALQHCSPSA-N -1 3 263.337 3.191 20 30 CGEDHM CC(=NNc1cnnc2ccccc21)c1ccc([O-])cc1F ZINC000733748433 572600953 /nfs/dbraw/zinc/60/09/53/572600953.db2.gz XCECLAVMTUZKOW-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM N#CC(=C([O-])C=CC1CC1)c1ccc2ccccc2n1 ZINC000744015253 572696849 /nfs/dbraw/zinc/69/68/49/572696849.db2.gz KUQCJRVULHZDJH-YHAOYDPOSA-N -1 3 262.312 3.377 20 30 CGEDHM N#CC(=C([O-])C=CC1CC1)c1ccc2ccccc2n1 ZINC000744015250 572697066 /nfs/dbraw/zinc/69/70/66/572697066.db2.gz KUQCJRVULHZDJH-DNGMOHDESA-N -1 3 262.312 3.377 20 30 CGEDHM N#CC(=C([O-])C1=COCCC1)c1ccc2ccccc2n1 ZINC000744016635 572697228 /nfs/dbraw/zinc/69/72/28/572697228.db2.gz PVDSACWUSYQHOM-AWEZNQCLSA-N -1 3 278.311 3.105 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\C[C@@H]2CCc3ccccc3C2)c1O ZINC000735228747 572706724 /nfs/dbraw/zinc/70/67/24/572706724.db2.gz GWMXGYLHOJLNLG-ZDFPAGSVSA-N -1 3 297.354 3.027 20 30 CGEDHM C=C(C)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735402561 572719986 /nfs/dbraw/zinc/71/99/86/572719986.db2.gz XAZYYMTZHSQIPV-SNVBAGLBSA-N -1 3 260.366 3.237 20 30 CGEDHM C=C(C)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735402561 572719988 /nfs/dbraw/zinc/71/99/88/572719988.db2.gz XAZYYMTZHSQIPV-SNVBAGLBSA-N -1 3 260.366 3.237 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000745977178 572845933 /nfs/dbraw/zinc/84/59/33/572845933.db2.gz PZPGQWWKTOSAQO-OOSYOABISA-N -1 3 277.364 3.023 20 30 CGEDHM CC(N=Nc1cn[n-]c(=O)c1Cl)[C@@H](C)c1ccccc1 ZINC000746367872 572867729 /nfs/dbraw/zinc/86/77/29/572867729.db2.gz CTAHOZCCLKESFK-SECBINFHSA-N -1 3 290.754 3.427 20 30 CGEDHM C=CCCC(=NNc1nc(=O)c2ccccc2[n-]1)C1CC1 ZINC000747765664 572947494 /nfs/dbraw/zinc/94/74/94/572947494.db2.gz HJGOFAVLAVNVAB-UHFFFAOYSA-N -1 3 282.347 3.480 20 30 CGEDHM COc1cc(C(=O)/C=C\c2cnn(C3CCC3)c2)ccc1[O-] ZINC000899341123 620643601 /nfs/dbraw/zinc/64/36/01/620643601.db2.gz UCPBABSXXUNITG-ALCCZGGFSA-N -1 3 298.342 3.218 20 30 CGEDHM O=C(C1CCC(F)(F)CC1)N([O-])Cc1ccc(F)cc1 ZINC000901375101 620867970 /nfs/dbraw/zinc/86/79/70/620867970.db2.gz DBTXSSFCMWYUAW-UHFFFAOYSA-N -1 3 287.281 3.369 20 30 CGEDHM CC(C)C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833482949 604609318 /nfs/dbraw/zinc/60/93/18/604609318.db2.gz ISGLNOYXIFSQFJ-CYBMUJFWSA-N -1 3 286.375 3.124 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822225352 606387757 /nfs/dbraw/zinc/38/77/57/606387757.db2.gz ZRBPUDBBNUJIRG-VURMDHGXSA-N -1 3 296.355 3.133 20 30 CGEDHM C=CCCC[C@@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823894028 608588494 /nfs/dbraw/zinc/58/84/94/608588494.db2.gz FKDXUXAPQVUDCI-SNVBAGLBSA-N -1 3 275.331 3.163 20 30 CGEDHM C=CCCC[C@@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823894028 608588496 /nfs/dbraw/zinc/58/84/96/608588496.db2.gz FKDXUXAPQVUDCI-SNVBAGLBSA-N -1 3 275.331 3.163 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cccc(Br)c1 ZINC000846541702 618090444 /nfs/dbraw/zinc/09/04/44/618090444.db2.gz LEPFPYCKUIIPCO-SNVBAGLBSA-N -1 3 298.180 3.004 20 30 CGEDHM CCc1ncc(CN[C@H](CC)c2cccc(C#N)c2[O-])o1 ZINC000926543140 618731939 /nfs/dbraw/zinc/73/19/39/618731939.db2.gz VTNWTVOCIDCMKM-CQSZACIVSA-N -1 3 285.347 3.055 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1ccccn1 ZINC000255721271 618780275 /nfs/dbraw/zinc/78/02/75/618780275.db2.gz LYARXUPLCSNGKV-QMAVJUDZSA-N -1 3 283.718 3.020 20 30 CGEDHM COc1ccc(Cl)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255850261 618805115 /nfs/dbraw/zinc/80/51/15/618805115.db2.gz XVBRALQCVBTSRR-UHFFFAOYSA-N -1 3 293.706 3.216 20 30 CGEDHM [O-]c1ccc(F)c(C=NNCc2ccc(Cl)cc2)c1F ZINC000794521023 619749404 /nfs/dbraw/zinc/74/94/04/619749404.db2.gz UOKXYGYOVYFRCK-UHFFFAOYSA-N -1 3 296.704 3.448 20 30 CGEDHM Cc1cc([O-])c(CN2CCC[C@H](C#N)C2)c(Cl)c1 ZINC000896507199 620019564 /nfs/dbraw/zinc/01/95/64/620019564.db2.gz ZJONFHAKJFUUCA-LLVKDONJSA-N -1 3 264.756 3.090 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@]12C[C@H]1COC21CCC1 ZINC000899233003 620629068 /nfs/dbraw/zinc/62/90/68/620629068.db2.gz ZMIRJASWGPUAKW-QFENOTEQSA-N -1 3 291.778 3.424 20 30 CGEDHM O=C(CCc1ccccc1F)N([O-])Cc1ccc(F)cc1 ZINC000901375589 620868009 /nfs/dbraw/zinc/86/80/09/620868009.db2.gz HKPRIRGIJNKVFQ-UHFFFAOYSA-N -1 3 291.297 3.315 20 30 CGEDHM CCCOCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378940 620868991 /nfs/dbraw/zinc/86/89/91/620868991.db2.gz RZIQTAGFBBITOK-UHFFFAOYSA-N -1 3 292.162 3.138 20 30 CGEDHM C=CCN(Cc1cccc(C(=O)[O-])n1)CC1CCCCC1 ZINC000902253338 621208879 /nfs/dbraw/zinc/20/88/79/621208879.db2.gz QAXIACNNHDQMBE-UHFFFAOYSA-N -1 3 288.391 3.348 20 30 CGEDHM C=C(Br)CNCc1cccc(Cl)c1[O-] ZINC000162612758 621466674 /nfs/dbraw/zinc/46/66/74/621466674.db2.gz XFKQYNCMNGBTIP-UHFFFAOYSA-N -1 3 276.561 3.044 20 30 CGEDHM C[C@@H](NCC1(C#N)CCCC1)c1c([O-])cccc1F ZINC000903109540 621582619 /nfs/dbraw/zinc/58/26/19/621582619.db2.gz QWPVLGVCZJSBPX-LLVKDONJSA-N -1 3 262.328 3.266 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000904173187 621884240 /nfs/dbraw/zinc/88/42/40/621884240.db2.gz PDWNSWRCCRMDPL-DYVFJYSZSA-N -1 3 299.370 3.373 20 30 CGEDHM N#CC1(C(=O)N([O-])Cc2cccc3ccccc32)CCC1 ZINC000904171971 621884629 /nfs/dbraw/zinc/88/46/29/621884629.db2.gz WBYPSZBFMWTNOW-UHFFFAOYSA-N -1 3 280.327 3.251 20 30 CGEDHM C[C@H]1C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)CCC1=O ZINC000904190606 621886614 /nfs/dbraw/zinc/88/66/14/621886614.db2.gz NSCJKJWXFHDOCC-QWRGUYRKSA-N -1 3 295.766 3.063 20 30 CGEDHM O=C([C@H]1CC12CCC2)N([O-])Cc1ccccc1Cl ZINC000904188912 621886734 /nfs/dbraw/zinc/88/67/34/621886734.db2.gz SKJGSOISRKARJL-LLVKDONJSA-N -1 3 265.740 3.248 20 30 CGEDHM CC(C)(C(=O)N([O-])Cc1ccccc1Cl)C(F)F ZINC000904191427 621887581 /nfs/dbraw/zinc/88/75/81/621887581.db2.gz XZPHPQMUZIIOMD-UHFFFAOYSA-N -1 3 277.698 3.349 20 30 CGEDHM O=C([C@@H]1CC12CC2)N([O-])CCCCc1ccccc1 ZINC000904195554 621887893 /nfs/dbraw/zinc/88/78/93/621887893.db2.gz HYWXBSZIKRJKCD-AWEZNQCLSA-N -1 3 259.349 3.027 20 30 CGEDHM COCCCCC(=O)N([O-])CCCCc1ccccc1 ZINC000904201514 621888944 /nfs/dbraw/zinc/88/89/44/621888944.db2.gz VINYOBXNJQDPDX-UHFFFAOYSA-N -1 3 279.380 3.044 20 30 CGEDHM N#CC[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000905003929 622027672 /nfs/dbraw/zinc/02/76/72/622027672.db2.gz YHIAXANZIISLAH-OMEHRSSBSA-N -1 3 276.645 3.309 20 30 CGEDHM N#C[C@@]1(C(=O)Nc2cccc([O-])c2F)CC2CCC1CC2 ZINC000907160616 622285442 /nfs/dbraw/zinc/28/54/42/622285442.db2.gz DZSJMCMVIBIPLS-PRDDCLIZSA-N -1 3 288.322 3.190 20 30 CGEDHM N#C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCCC1 ZINC000921547338 625669258 /nfs/dbraw/zinc/66/92/58/625669258.db2.gz CQBDHKJKRILMFZ-INIZCTEOSA-N -1 3 294.354 3.358 20 30 CGEDHM N#C[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000838146682 626197068 /nfs/dbraw/zinc/19/70/68/626197068.db2.gz VDZPCMYANKMULD-HNNXBMFYSA-N -1 3 291.322 3.089 20 30 CGEDHM COc1ccc(NN=C(C)c2ccc([O-])cc2F)cc1 ZINC000750921381 626368830 /nfs/dbraw/zinc/36/88/30/626368830.db2.gz IKLZZZRWFUXVHM-UHFFFAOYSA-N -1 3 274.295 3.376 20 30 CGEDHM C[C@@H](NN=Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000755664236 626635630 /nfs/dbraw/zinc/63/56/30/626635630.db2.gz JIWSSNMNTVRNFJ-LLVKDONJSA-N -1 3 258.296 3.216 20 30 CGEDHM C#CCN(Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000764676369 627217631 /nfs/dbraw/zinc/21/76/31/627217631.db2.gz KRQQUIOUCQBMMB-UHFFFAOYSA-N -1 3 270.159 3.297 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1ccc(F)cc1 ZINC000766284442 627312919 /nfs/dbraw/zinc/31/29/19/627312919.db2.gz SLBYWQJRLOKASF-OADJVDCOSA-N -1 3 293.725 3.337 20 30 CGEDHM C#Cc1cccc(N(C)C(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000769762731 627576283 /nfs/dbraw/zinc/57/62/83/627576283.db2.gz LRRMAOOQYQLUGO-UHFFFAOYSA-N -1 3 279.339 3.267 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1COC2(CCCC2)O1 ZINC000773146617 627862362 /nfs/dbraw/zinc/86/23/62/627862362.db2.gz BOICBSALBKKZMU-KCXFFNSDSA-N -1 3 295.766 3.150 20 30 CGEDHM CC(=NN=c1cc[n-]n1C)[C@@H](C)c1nc2ccccc2s1 ZINC000774414657 627987261 /nfs/dbraw/zinc/98/72/61/627987261.db2.gz JAPVUIMIIAYVTL-SNVBAGLBSA-N -1 3 299.403 3.043 20 30 CGEDHM C#C[C@H](C)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775183606 628070734 /nfs/dbraw/zinc/07/07/34/628070734.db2.gz PUWKJZCFRMRBJN-QMMMGPOBSA-N -1 3 258.148 3.153 20 30 CGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(F)nc1 ZINC000777467871 628275097 /nfs/dbraw/zinc/27/50/97/628275097.db2.gz NLMGOVALXWHWMN-KZSPTFSBSA-N -1 3 287.265 3.449 20 30 CGEDHM CC(N=Nc1cc(Cl)ccn1)c1ccc(F)cc1[O-] ZINC000777905090 628309323 /nfs/dbraw/zinc/30/93/23/628309323.db2.gz ABPANOLVTNKMIS-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCC=CO1 ZINC000780150518 628457847 /nfs/dbraw/zinc/45/78/47/628457847.db2.gz VTRPDKNIBYZGGW-PWDRSIHYSA-N -1 3 251.713 3.157 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2ccc(F)nc2C)ccc1[O-] ZINC000782329240 628639018 /nfs/dbraw/zinc/63/90/18/628639018.db2.gz ZULBMRBJDJWSOR-CLTKARDFSA-N -1 3 271.291 3.439 20 30 CGEDHM CCc1cnc(/C=C/C(=O)c2ccc([O-])c(OC)c2)s1 ZINC000783700570 628741505 /nfs/dbraw/zinc/74/15/05/628741505.db2.gz SNQRRXXGDSLQNW-VOTSOKGWSA-N -1 3 289.356 3.316 20 30 CGEDHM COc1cc(C=NNc2ncccc2C)cc(Cl)c1[O-] ZINC000790186737 629191176 /nfs/dbraw/zinc/19/11/76/629191176.db2.gz RBJLAEWLRZTQMZ-UHFFFAOYSA-N -1 3 291.738 3.204 20 30 CGEDHM COc1cc(/C=C/C(=O)c2cc(C)on2)cc(Cl)c1[O-] ZINC000791431153 629276535 /nfs/dbraw/zinc/27/65/35/629276535.db2.gz GKPHCOMEYICWFM-ONEGZZNKSA-N -1 3 293.706 3.247 20 30 CGEDHM C#CC[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000862574199 629411689 /nfs/dbraw/zinc/41/16/89/629411689.db2.gz HFGDAFJAWNZNRQ-LLVKDONJSA-N -1 3 285.368 3.092 20 30 CGEDHM [O-]c1ccc(F)c(C=NNc2cccc(F)c2F)c1F ZINC000794514570 629548349 /nfs/dbraw/zinc/54/83/49/629548349.db2.gz DFCCDRWJHPIKKX-UHFFFAOYSA-N -1 3 284.212 3.395 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCCn2nccc21 ZINC000864348135 629816378 /nfs/dbraw/zinc/81/63/78/629816378.db2.gz FPUHOYCXLUSRBT-DZZSIBQASA-N -1 3 275.739 3.196 20 30 CGEDHM C=C(C)[C@@H]1OCC[C@@H]1C/N=C\c1cc(Cl)ccc1[O-] ZINC000797785164 629982085 /nfs/dbraw/zinc/98/20/85/629982085.db2.gz VPKOVCCETNGILL-CPKLNFAWSA-N -1 3 279.767 3.446 20 30 CGEDHM COc1cc(/C=C2\Cc3c(cccc3[O-])C2=O)ccc1C#N ZINC000799494049 630190607 /nfs/dbraw/zinc/19/06/07/630190607.db2.gz ALUISYJAKCUSQU-NTUHNPAUSA-N -1 3 291.306 3.095 20 30 CGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(C#N)cc1 ZINC000811188592 631042428 /nfs/dbraw/zinc/04/24/28/631042428.db2.gz POSFWHMKZHJERE-NSHDSACASA-N -1 3 292.294 3.054 20 30 CGEDHM Cc1cc(Cl)cc(C=NOC/C=C\Cl)c1[O-] ZINC000811668169 631106951 /nfs/dbraw/zinc/10/69/51/631106951.db2.gz LJAKHIICBHCIBO-NVSQZKJESA-N -1 3 260.120 3.457 20 30 CGEDHM C[C@H]1CCCC[C@@H]1CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824939980 633307741 /nfs/dbraw/zinc/30/77/41/633307741.db2.gz YQULSLVZVOBYJT-WCQYABFASA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@H]1CCCC[C@@H]1CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824939980 633307747 /nfs/dbraw/zinc/30/77/47/633307747.db2.gz YQULSLVZVOBYJT-WCQYABFASA-N -1 3 284.367 3.091 20 30 CGEDHM Cc1cc([O-])c(CN(C)CC(C)(C)C#N)cc1Cl ZINC000826011240 633396936 /nfs/dbraw/zinc/39/69/36/633396936.db2.gz CMJYVHDOGSLLAC-UHFFFAOYSA-N -1 3 266.772 3.336 20 30 CGEDHM CC1(CC(=O)[N-]Oc2cccc(C#N)c2)CCCCC1 ZINC000870691146 633627688 /nfs/dbraw/zinc/62/76/88/633627688.db2.gz FEJGRAQOXKNFHB-UHFFFAOYSA-N -1 3 272.348 3.329 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C2=CC[C@@H](C)CC2)nc(C)n1 ZINC000835060604 634341553 /nfs/dbraw/zinc/34/15/53/634341553.db2.gz RXBPPLSCHZAZAC-QMTHXVAHSA-N -1 3 269.348 3.016 20 30 CGEDHM CCO[C@H]1C[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000840710614 635038969 /nfs/dbraw/zinc/03/89/69/635038969.db2.gz KWKDVARCRUASDQ-NCXWJRGFSA-N -1 3 298.180 3.141 20 30 CGEDHM CC(C)OC(=O)[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(C)C ZINC000840709544 635039304 /nfs/dbraw/zinc/03/93/04/635039304.db2.gz NOWDWXGXOFSBGD-RHUPODBASA-N -1 3 297.782 3.441 20 30 CGEDHM N#CC1(CNCc2ccc(F)c(F)c2[O-])CCCCC1 ZINC000877633199 635123644 /nfs/dbraw/zinc/12/36/44/635123644.db2.gz CISUIXUTPQKSMB-UHFFFAOYSA-N -1 3 280.318 3.234 20 30 CGEDHM N#CC1(CNC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC000841466577 635180721 /nfs/dbraw/zinc/18/07/21/635180721.db2.gz BAWZMBHLONOLGM-UHFFFAOYSA-N -1 3 286.356 3.031 20 30 CGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(F)F ZINC000845844582 636106142 /nfs/dbraw/zinc/10/61/42/636106142.db2.gz HQJATINSXPQJAY-LBPRGKRZSA-N -1 3 291.297 3.041 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccccc1C(C)C ZINC000846546706 636198185 /nfs/dbraw/zinc/19/81/85/636198185.db2.gz FDUFYNHYBMQSCB-ZDUSSCGKSA-N -1 3 277.364 3.201 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000846550485 636200088 /nfs/dbraw/zinc/20/00/88/636200088.db2.gz XNEUIKLHNKPGSR-NXEZZACHSA-N -1 3 269.291 3.081 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CC2(CCC2)CO1 ZINC000887270804 637787319 /nfs/dbraw/zinc/78/73/19/637787319.db2.gz UIZHIUZAXDVOEE-KCXFFNSDSA-N -1 3 279.767 3.424 20 30 CGEDHM Cc1sc([N-]C(=O)c2cnc(C3CC3)o2)c(C#N)c1C ZINC000887644068 637879955 /nfs/dbraw/zinc/87/99/55/637879955.db2.gz MXHUOHYBDLDBHD-UHFFFAOYSA-N -1 3 287.344 3.354 20 30 CGEDHM C=C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000304195137 963123112 /nfs/dbraw/zinc/12/31/12/963123112.db2.gz ASMZYWBTHYEWKG-CPCISQLKSA-N -1 3 274.147 3.283 20 30 CGEDHM C[C@@H]1CC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001161807691 806459511 /nfs/dbraw/zinc/45/95/11/806459511.db2.gz NCGPZNIZVOGGSD-MNOVXSKESA-N -1 3 267.756 3.494 20 30 CGEDHM CCCCCCN([O-])C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001161827250 806467509 /nfs/dbraw/zinc/46/75/09/806467509.db2.gz ZJHJGKAOOGJFCL-CYBMUJFWSA-N -1 3 271.401 3.380 20 30 CGEDHM N#Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)c1 ZINC001244329035 803307309 /nfs/dbraw/zinc/30/73/09/803307309.db2.gz NDPGMLUZZKJQKP-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM N#Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)c1 ZINC001244329035 803307314 /nfs/dbraw/zinc/30/73/14/803307314.db2.gz NDPGMLUZZKJQKP-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3ccc(CO)cc3F)ccc21 ZINC001244911839 803573107 /nfs/dbraw/zinc/57/31/07/803573107.db2.gz JSVMDGSVEAGRQL-VLGSPTGOSA-N -1 3 271.291 3.110 20 30 CGEDHM Cn1cc(-c2cc(/C=N/[O-])ccc2F)c2ccncc21 ZINC001245492272 803765065 /nfs/dbraw/zinc/76/50/65/803765065.db2.gz YGTSCCFAZAMQKN-CNHKJKLMSA-N -1 3 269.279 3.188 20 30 CGEDHM N#Cc1cc(Nc2ccc([O-])c(F)c2F)cs1 ZINC001212005203 814965366 /nfs/dbraw/zinc/96/53/66/814965366.db2.gz BFNARBUQBBWFOF-UHFFFAOYSA-N -1 3 252.245 3.347 20 30 CGEDHM N#C[C@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142115047 804696414 /nfs/dbraw/zinc/69/64/14/804696414.db2.gz VGYOBGZJONUUAK-MRVPVSSYSA-N -1 3 271.147 3.044 20 30 CGEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc2ccoc2cn1 ZINC001153315969 805392166 /nfs/dbraw/zinc/39/21/66/805392166.db2.gz PMRLCNQFYAVLPR-UHFFFAOYSA-N -1 3 299.236 3.230 20 30 CGEDHM Cc1cc(C#N)c([N-]C(=O)c2nc3ccccc3o2)s1 ZINC001153572044 805403128 /nfs/dbraw/zinc/40/31/28/805403128.db2.gz RCXNIFRRYYRJNN-UHFFFAOYSA-N -1 3 283.312 3.322 20 30 CGEDHM N#Cc1cc(Cc2c(F)ccc(F)c2F)ccc1[O-] ZINC001250214177 805495517 /nfs/dbraw/zinc/49/55/17/805495517.db2.gz 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/nfs/dbraw/zinc/72/84/95/815728495.db2.gz XRRASNCOTDYSHQ-UHFFFAOYSA-N -1 3 257.268 3.188 20 30 CGEDHM N#CCOc1cc(F)ccc1-c1ccc(F)c([O-])c1 ZINC001243050249 823226652 /nfs/dbraw/zinc/22/66/52/823226652.db2.gz UOLARHIGIZLLRZ-UHFFFAOYSA-N -1 3 261.227 3.240 20 30 CGEDHM C#C[C@@H](CCCC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850872 817196243 /nfs/dbraw/zinc/19/62/43/817196243.db2.gz PRSLMUAVTGBCCR-QMMMGPOBSA-N -1 3 290.310 3.355 20 30 CGEDHM C[C@H](CC(C)(C)S)Oc1cccc(/C=N/[O-])c1 ZINC001226115395 817276506 /nfs/dbraw/zinc/27/65/06/817276506.db2.gz CNHRDYNPWQOSLW-GMROUXNLSA-N -1 3 253.367 3.361 20 30 CGEDHM CCCC(=O)[C@H](CCC)Oc1cccc(/C=N/[O-])c1 ZINC001226114852 817276761 /nfs/dbraw/zinc/27/67/61/817276761.db2.gz RWZATOMNQRYRAR-KFXIKWRMSA-N -1 3 263.337 3.411 20 30 CGEDHM C=C[C@H](C#CC(C)(C)C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481064 817371581 /nfs/dbraw/zinc/37/15/81/817371581.db2.gz BVMRASCAIDJXME-GFCCVEGCSA-N -1 3 288.343 3.283 20 30 CGEDHM COc1ccc(OC)c([C@@H](C)Oc2cc(C#N)ccc2[O-])c1 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CN(Cc1ccc(C#N)cc1[O-])Cc1ccc(F)cc1F ZINC001233387164 818606364 /nfs/dbraw/zinc/60/63/64/818606364.db2.gz XJMUEHCZEGNYQE-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM CCCCOC[C@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802919 818708125 /nfs/dbraw/zinc/70/81/25/818708125.db2.gz KBHTYSVQBPLXBZ-SEJMYLSOSA-N -1 3 281.352 3.087 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1OC(C1CC1)C1CC1 ZINC001233804268 818708678 /nfs/dbraw/zinc/70/86/78/818708678.db2.gz WAJOIAWFIBNCOB-CXUHLZMHSA-N -1 3 261.321 3.071 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCC(F)(F)C1 ZINC001233807168 818709570 /nfs/dbraw/zinc/70/95/70/818709570.db2.gz NWJGWFYSYKMXSX-MDKXCRPYSA-N -1 3 271.263 3.070 20 30 CGEDHM CN(CC#N)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234997309 818971880 /nfs/dbraw/zinc/97/18/80/818971880.db2.gz XLOARGMJDKEHNT-UHFFFAOYSA-N -1 3 252.317 3.015 20 30 CGEDHM N#CCCN(Cc1ccccc1)Cc1cc([O-])cc(F)c1 ZINC001237285204 819717086 /nfs/dbraw/zinc/71/70/86/819717086.db2.gz OWEZZMAMKLVEQV-UHFFFAOYSA-N -1 3 284.334 3.447 20 30 CGEDHM CCOc1cc(C)c(-c2cccc(/C=N/[O-])c2)cn1 ZINC001238977744 820176712 /nfs/dbraw/zinc/17/67/12/820176712.db2.gz JOZLHMDNTIVSCP-RQZCQDPDSA-N -1 3 256.305 3.264 20 30 CGEDHM Cc1cnc(C)c(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001239906527 820692569 /nfs/dbraw/zinc/69/25/69/820692569.db2.gz BCJKSHADBGMLFK-VLGSPTGOSA-N -1 3 252.317 3.490 20 30 CGEDHM CN(C)C(=O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001239926517 820704900 /nfs/dbraw/zinc/70/49/00/820704900.db2.gz VXPYTIIUXFORKQ-VCHYOVAHSA-N -1 3 286.306 3.003 20 30 CGEDHM COCc1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001239937465 820718113 /nfs/dbraw/zinc/71/81/13/820718113.db2.gz VKLMBNFHLYDSPI-RQZCQDPDSA-N -1 3 259.280 3.447 20 30 CGEDHM Cc1cc(-c2ccc(/C=N/[O-])c(F)c2)cc2c[nH]nc21 ZINC001241516147 821916564 /nfs/dbraw/zinc/91/65/64/821916564.db2.gz CMXDOTQSEVYDCA-QGMBQPNBSA-N -1 3 269.279 3.486 20 30 CGEDHM Cc1cc(-c2cc(/C=N/[O-])ccc2F)cc2c[nH]nc21 ZINC001241516480 821917688 /nfs/dbraw/zinc/91/76/88/821917688.db2.gz JAIYYPSQJUSAGP-CNHKJKLMSA-N -1 3 269.279 3.486 20 30 CGEDHM COc1cc(C)c(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001241773217 822138958 /nfs/dbraw/zinc/13/89/58/822138958.db2.gz ZCGNZRABKIRPDN-SDXDJHTJSA-N -1 3 268.316 3.190 20 30 CGEDHM [O-]N=Cc1ccccc1-c1ccc2c(c1)OCCCO2 ZINC001242206091 822909898 /nfs/dbraw/zinc/90/98/98/822909898.db2.gz JISMAAUCAGELKQ-UHFFFAOYSA-N -1 3 269.300 3.323 20 30 CGEDHM Cc1cc(C#N)cc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001242480201 823007207 /nfs/dbraw/zinc/00/72/07/823007207.db2.gz DRYNEWYMCYKWQI-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1cc(C#N)cc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001242480201 823007210 /nfs/dbraw/zinc/00/72/10/823007210.db2.gz DRYNEWYMCYKWQI-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM N#Cc1cc(-c2ccc(-n3ccnc3)cc2)ccc1[O-] ZINC001242564525 823033974 /nfs/dbraw/zinc/03/39/74/823033974.db2.gz FFFHHCGXZVNJIP-UHFFFAOYSA-N -1 3 261.284 3.117 20 30 CGEDHM N#Cc1cc(-c2ccc(C3(C#N)CC3)cc2)ccc1[O-] ZINC001242564647 823034006 /nfs/dbraw/zinc/03/40/06/823034006.db2.gz LGVWCPACOPIXSZ-UHFFFAOYSA-N -1 3 260.296 3.486 20 30 CGEDHM Cn1ccnc1C(C#N)=C([O-])c1cc2c(s1)CCCCC2 ZINC001342274810 936463912 /nfs/dbraw/zinc/46/39/12/936463912.db2.gz AOFASAIULUMKAU-GFCCVEGCSA-N -1 3 299.399 3.241 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1cccc(F)n1 ZINC001342559113 936469952 /nfs/dbraw/zinc/46/99/52/936469952.db2.gz SJZOTSXBNOZIIO-SBDDDAINSA-N -1 3 284.265 3.249 20 30 CGEDHM C=CCC[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC001347522303 936887243 /nfs/dbraw/zinc/88/72/43/936887243.db2.gz PUCAZSWOWZJSDN-CYBMUJFWSA-N -1 3 259.349 3.271 20 30 CGEDHM C#C[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C1CC1 ZINC001347679783 936892300 /nfs/dbraw/zinc/89/23/00/936892300.db2.gz IQRTWIONGDADTK-LLVKDONJSA-N -1 3 290.269 3.069 20 30 CGEDHM CC(C)c1cc(C(=O)[N-]c2cc(C#N)ccc2F)on1 ZINC001525018978 927893027 /nfs/dbraw/zinc/89/30/27/927893027.db2.gz MFUFKTYZILIXBT-UHFFFAOYSA-N -1 3 273.267 3.061 20 30 CGEDHM Cc1cc(C(=O)Nc2cccc([O-])c2F)cc(C)c1C#N ZINC001545835690 937247379 /nfs/dbraw/zinc/24/73/79/937247379.db2.gz JXCQMQLARGOCPS-UHFFFAOYSA-N 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/nfs/dbraw/zinc/20/72/97/938207297.db2.gz AOTMQCFVQDNOBW-OAHLLOKOSA-N -1 3 281.355 3.309 20 30 CGEDHM C=C(CC)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001557022399 938207420 /nfs/dbraw/zinc/20/74/20/938207420.db2.gz KXCRWMBPYYWINA-UHFFFAOYSA-N -1 3 255.317 3.241 20 30 CGEDHM COc1ccccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001559033573 938219005 /nfs/dbraw/zinc/21/90/05/938219005.db2.gz NMDRKNRTXVRDRN-UHFFFAOYSA-N -1 3 291.734 3.380 20 30 CGEDHM CCn1cc(Cl)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001559037447 938219252 /nfs/dbraw/zinc/21/92/52/938219252.db2.gz XKQLPIRCUMJXKR-UHFFFAOYSA-N -1 3 296.729 3.332 20 30 CGEDHM C=C[C@@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC001569459234 961767161 /nfs/dbraw/zinc/76/71/61/961767161.db2.gz WQGQWFACLSPCKI-CYBMUJFWSA-N -1 3 293.326 3.177 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC001573329002 962249259 /nfs/dbraw/zinc/24/92/59/962249259.db2.gz GFFNQWHSKGQGEX-OLZOCXBDSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC001573329002 962249275 /nfs/dbraw/zinc/24/92/75/962249275.db2.gz GFFNQWHSKGQGEX-OLZOCXBDSA-N -1 3 298.394 3.117 20 30 CGEDHM C=C(C)CCSCc1ccccc1-c1nnn[n-]1 ZINC001588423864 963269873 /nfs/dbraw/zinc/26/98/73/963269873.db2.gz CAHXGGWSHDJLLX-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM C=C(C)CCSCc1ccccc1-c1nn[n-]n1 ZINC001588423864 963269883 /nfs/dbraw/zinc/26/98/83/963269883.db2.gz CAHXGGWSHDJLLX-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM C=CCCCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC001588596466 963294966 /nfs/dbraw/zinc/29/49/66/963294966.db2.gz RENUSYCLDJFPJW-UHFFFAOYSA-N -1 3 257.341 3.025 20 30 CGEDHM C=C[C@@H](Nc1cccc2c1CN(CCC(C)C)C2)C(=O)[O-] ZINC001588701995 963306072 /nfs/dbraw/zinc/30/60/72/963306072.db2.gz FPPXTHOLHKEANZ-OAHLLOKOSA-N -1 3 288.391 3.099 20 30 CGEDHM CCc1ccc([C@@H](NCc2cccc(C#N)c2)C(=O)[O-])cc1 ZINC000426801676 529712022 /nfs/dbraw/zinc/71/20/22/529712022.db2.gz RZFLFSBPKVWSAJ-QGZVFWFLSA-N -1 3 294.354 3.036 20 30 CGEDHM N#CCCC1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000592517299 346994911 /nfs/dbraw/zinc/99/49/11/346994911.db2.gz ZXASTHOICCWPMN-UHFFFAOYSA-N -1 3 262.328 3.047 20 30 CGEDHM Cc1csc([N-]C(=O)c2coc(C3CCC3)n2)c1C#N ZINC000589034577 346780746 /nfs/dbraw/zinc/78/07/46/346780746.db2.gz ASFNJJLVEFXVHS-UHFFFAOYSA-N -1 3 287.344 3.436 20 30 CGEDHM Cc1cc(C)cc(-c2cc(=NC(=O)CCCCC#N)[nH][n-]2)c1 ZINC000594420212 347173873 /nfs/dbraw/zinc/17/38/73/347173873.db2.gz GYGYOSWKFAIHCL-UHFFFAOYSA-N -1 3 296.374 3.138 20 30 CGEDHM CC(C)(CN=c1[n-]c(C#N)c(Cl)s1)[C@H]1CCCCO1 ZINC000596161779 347392517 /nfs/dbraw/zinc/39/25/17/347392517.db2.gz JNDONGVCJUZNEL-SNVBAGLBSA-N -1 3 299.827 3.097 20 30 CGEDHM CCN(C(=O)CCc1ccc2ccccc2c1[O-])[C@H](C)C#N ZINC000598362990 347650786 /nfs/dbraw/zinc/65/07/86/347650786.db2.gz DYYBZGROZZTGBH-CYBMUJFWSA-N -1 3 296.370 3.239 20 30 CGEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(CC)ccc2[O-])C1 ZINC000617782070 349010920 /nfs/dbraw/zinc/01/09/20/349010920.db2.gz XTZNHWXEQIBYEV-CQSZACIVSA-N -1 3 273.376 3.383 20 30 CGEDHM C=CCC1(NC(=O)c2ccc([O-])c(C)c2)CCCC1 ZINC000619110270 349205235 /nfs/dbraw/zinc/20/52/35/349205235.db2.gz CARCVTGCDSPMDJ-UHFFFAOYSA-N -1 3 259.349 3.319 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1[O-] ZINC000620314496 349356209 /nfs/dbraw/zinc/35/62/09/349356209.db2.gz ICYXGNWITOVYMB-BETUJISGSA-N -1 3 257.333 3.024 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(F)(F)F)c(F)c1 ZINC000629306123 350674204 /nfs/dbraw/zinc/67/42/04/350674204.db2.gz VXUYAZUFTAWVQN-UHFFFAOYSA-N -1 3 297.273 3.162 20 30 CGEDHM N#CC(=C([O-])c1cccnc1)c1ccc2ccccc2n1 ZINC000631470619 351046865 /nfs/dbraw/zinc/04/68/65/351046865.db2.gz RUVUVQYKJQNRBD-CQSZACIVSA-N -1 3 273.295 3.120 20 30 CGEDHM COc1cc(F)c([N-]C(=O)c2sccc2C#N)cc1F ZINC000124611347 138376332 /nfs/dbraw/zinc/37/63/32/138376332.db2.gz HOLJDLUSHJSDFD-UHFFFAOYSA-N -1 3 294.282 3.159 20 30 CGEDHM Cc1cccc([C@H](NCc2cccc(C#N)c2)C(=O)[O-])c1C ZINC000426720215 236308432 /nfs/dbraw/zinc/30/84/32/236308432.db2.gz LIJTYPMORUGSCS-KRWDZBQOSA-N -1 3 294.354 3.091 20 30 CGEDHM N#Cc1ccccc1/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436771111 237177230 /nfs/dbraw/zinc/17/72/30/237177230.db2.gz XOGDYGKJKVFLRX-YFHOEESVSA-N -1 3 289.294 3.484 20 30 CGEDHM N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc([O-])cc1 ZINC000037995909 369136017 /nfs/dbraw/zinc/13/60/17/369136017.db2.gz LPHDQZUACXZWNM-UHFFFAOYSA-N -1 3 272.285 3.323 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC3)n1 ZINC000041519408 369189519 /nfs/dbraw/zinc/18/95/19/369189519.db2.gz PKAITJWPVCUFGH-CQSZACIVSA-N -1 3 282.368 3.430 20 30 CGEDHM Cc1ccc(C=CC(=O)Nc2nnc(C(F)(F)F)[n-]2)o1 ZINC000072673388 369833720 /nfs/dbraw/zinc/83/37/20/369833720.db2.gz RMWHHNTVVYCLSL-SNAWJCMRSA-N -1 3 286.213 3.026 20 30 CGEDHM Cc1ccc(C=CC(=O)Nc2nc(C(F)(F)F)n[n-]2)o1 ZINC000072673388 369833725 /nfs/dbraw/zinc/83/37/25/369833725.db2.gz RMWHHNTVVYCLSL-SNAWJCMRSA-N -1 3 286.213 3.026 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000094122579 370166723 /nfs/dbraw/zinc/16/67/23/370166723.db2.gz BPAGKJOUTFYZJZ-UHFFFAOYSA-N -1 3 288.391 3.357 20 30 CGEDHM Cn1cccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430623620 372391958 /nfs/dbraw/zinc/39/19/58/372391958.db2.gz HMESWKGJFFERBR-SNVBAGLBSA-N -1 3 287.388 3.269 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1nc(C)cs1)C1CC1 ZINC000293359862 372364326 /nfs/dbraw/zinc/36/43/26/372364326.db2.gz NYSINRKXUSJTAJ-SNVBAGLBSA-N -1 3 286.347 3.230 20 30 CGEDHM Cc1nc2ccc(C([O-])=C(C#N)c3ccccn3)cc2s1 ZINC000433116810 372582017 /nfs/dbraw/zinc/58/20/17/372582017.db2.gz NAKBFVOBYFMXSJ-GFCCVEGCSA-N -1 3 293.351 3.490 20 30 CGEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436731509 372840446 /nfs/dbraw/zinc/84/04/46/372840446.db2.gz LMUCJEISUUZSBP-INIZCTEOSA-N -1 3 294.354 3.258 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436823353 372840535 /nfs/dbraw/zinc/84/05/35/372840535.db2.gz UHCZFJLPQGDZDE-ZDUSSCGKSA-N -1 3 259.349 3.190 20 30 CGEDHM C=CCc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc(OC)c1O ZINC000436781561 372841392 /nfs/dbraw/zinc/84/13/92/372841392.db2.gz DJMNBOAFMMKNGZ-VOTSOKGWSA-N -1 3 298.342 3.104 20 30 CGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000476506207 375141053 /nfs/dbraw/zinc/14/10/53/375141053.db2.gz AFCXRRZTPNPLPG-LBPRGKRZSA-N -1 3 285.384 3.157 20 30 CGEDHM CN(C(=O)c1cc([O-])c2ccccc2c1)C1(C#N)CCC1 ZINC000336053157 375649079 /nfs/dbraw/zinc/64/90/79/375649079.db2.gz AMUGYVRFIQCLLA-UHFFFAOYSA-N -1 3 280.327 3.064 20 30 CGEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc(O)c1[O-] ZINC000193065399 375822721 /nfs/dbraw/zinc/82/27/21/375822721.db2.gz AZUHXCZKYRPMCD-UHFFFAOYSA-N -1 3 289.375 3.306 20 30 CGEDHM C=CCOc1ccccc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000339115372 376689803 /nfs/dbraw/zinc/68/98/03/376689803.db2.gz DUOUYBQAEGPNHL-CMDGGOBGSA-N -1 3 268.316 3.226 20 30 CGEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc(O)cc1[O-] ZINC000264777443 190134104 /nfs/dbraw/zinc/13/41/04/190134104.db2.gz MCYGDOPLNVXIBJ-UHFFFAOYSA-N -1 3 289.375 3.306 20 30 CGEDHM C=CCCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000565208075 377484931 /nfs/dbraw/zinc/48/49/31/377484931.db2.gz LNFBSHIQBLVEJW-UHFFFAOYSA-N -1 3 284.359 3.004 20 30 CGEDHM C=CCN(Cc1nc2ccccc2c(C)c1C(=O)[O-])C1CC1 ZINC000570403052 377536578 /nfs/dbraw/zinc/53/65/78/377536578.db2.gz GXSKTFDZRQRQPI-UHFFFAOYSA-N -1 3 296.370 3.392 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(C)cc1Cl ZINC000578512095 378075758 /nfs/dbraw/zinc/07/57/58/378075758.db2.gz OWTGHLAINGNIGJ-LBPRGKRZSA-N -1 3 267.756 3.157 20 30 CGEDHM Cc1ccoc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000345408462 378278200 /nfs/dbraw/zinc/27/82/00/378278200.db2.gz MWNHMVJORKFXBB-NSHDSACASA-N -1 3 279.299 3.263 20 30 CGEDHM CC(C)(C)[C@H]1C[C@@H](/N=C/c2ccccc2[O-])CCO1 ZINC000270629126 378377971 /nfs/dbraw/zinc/37/79/71/378377971.db2.gz UQQLXQNZYGXKPP-YZTBUCIPSA-N -1 3 261.365 3.405 20 30 CGEDHM CCN(CCC#N)Cc1cc(Cl)cc(C)c1[O-] ZINC000271790108 378503880 /nfs/dbraw/zinc/50/38/80/378503880.db2.gz IQAJWYSZOXCQKF-UHFFFAOYSA-N -1 3 252.745 3.090 20 30 CGEDHM C=CCCO[C@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274408420 378828277 /nfs/dbraw/zinc/82/82/77/378828277.db2.gz UTXBIKHWVJVYIK-CHWSQXEVSA-N -1 3 289.375 3.214 20 30 CGEDHM N#CCn1c(/C=C/c2cccc([O-])c2)nc2ccccc21 ZINC000352005716 379750173 /nfs/dbraw/zinc/75/01/73/379750173.db2.gz FGHSZCCLNALAQS-CMDGGOBGSA-N -1 3 275.311 3.436 20 30 CGEDHM N#CC(=C([O-])c1cccc(-c2ccoc2)c1)c1ccncn1 ZINC000354457489 380446120 /nfs/dbraw/zinc/44/61/20/380446120.db2.gz BDERUKWNRJCUKX-OAHLLOKOSA-N -1 3 289.294 3.227 20 30 CGEDHM C#CCC(C)(C)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000289024354 392412175 /nfs/dbraw/zinc/41/21/75/392412175.db2.gz FQKFHNLGEKEVHO-UHFFFAOYSA-N -1 3 286.331 3.142 20 30 CGEDHM CC(C)(C)CN(CCC#N)C(=O)c1cc([O-])ccc1Cl ZINC000355391409 393302972 /nfs/dbraw/zinc/30/29/72/393302972.db2.gz YTPSZXREXVNJMK-UHFFFAOYSA-N -1 3 294.782 3.448 20 30 CGEDHM N#Cc1ccnc([N-]c2cccc3ccsc32)c1[N+](=O)[O-] ZINC000443701725 393771474 /nfs/dbraw/zinc/77/14/74/393771474.db2.gz ZJOKJJSJTAJPFU-UHFFFAOYSA-N -1 3 296.311 3.242 20 30 CGEDHM N#CC(=C([O-])c1cncc(F)c1)c1ccc2ccccc2n1 ZINC000675268606 543324548 /nfs/dbraw/zinc/32/45/48/543324548.db2.gz UIENTABKEPYLSR-AWEZNQCLSA-N -1 3 291.285 3.259 20 30 CGEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2cccc(C#N)c2)n1 ZINC000121804643 287203712 /nfs/dbraw/zinc/20/37/12/287203712.db2.gz CUPOWABUVRTCRK-JTQLQIEISA-N -1 3 271.345 3.216 20 30 CGEDHM CCCCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000680617716 543719835 /nfs/dbraw/zinc/71/98/35/543719835.db2.gz ZBSWBAOANCYSPQ-OAHLLOKOSA-N -1 3 279.343 3.309 20 30 CGEDHM C=C(C)CN(C)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000652430651 418966559 /nfs/dbraw/zinc/96/65/59/418966559.db2.gz SWJRUINUNQUMIN-GFCCVEGCSA-N -1 3 287.281 3.339 20 30 CGEDHM C=CCCC[C@@H](C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790531 418990980 /nfs/dbraw/zinc/99/09/80/418990980.db2.gz GYDQUEKMKJCEEZ-GFCCVEGCSA-N -1 3 259.349 3.445 20 30 CGEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000657037856 419226134 /nfs/dbraw/zinc/22/61/34/419226134.db2.gz LTHLVMSVTNLERO-RYUDHWBXSA-N -1 3 285.434 3.161 20 30 CGEDHM C=CCN(CCC#N)Cc1ccc(OCCC)cc1[O-] ZINC000292781170 263135051 /nfs/dbraw/zinc/13/50/51/263135051.db2.gz LJZGWPFZCAAEHW-UHFFFAOYSA-N -1 3 274.364 3.083 20 30 CGEDHM CC[C@@H](C)CON=C([O-])Nc1ccccc1O[C@@H](C)C#N ZINC000296968287 263199313 /nfs/dbraw/zinc/19/93/13/263199313.db2.gz WWEJHYIASYCIBE-NEPJUHHUSA-N -1 3 291.351 3.077 20 30 CGEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000296968287 263199314 /nfs/dbraw/zinc/19/93/14/263199314.db2.gz WWEJHYIASYCIBE-NEPJUHHUSA-N -1 3 291.351 3.077 20 30 CGEDHM CC(C)(C)Cc1csc([N-]C(=O)c2csnn2)n1 ZINC000330673836 264013706 /nfs/dbraw/zinc/01/37/06/264013706.db2.gz HTWJTCHZWHVJGE-UHFFFAOYSA-N -1 3 282.394 3.220 20 30 CGEDHM CC(C)CC(C)(C)CNC(=O)c1csc(=O)[n-]1 ZINC000330970383 264091895 /nfs/dbraw/zinc/09/18/95/264091895.db2.gz CKHOAIQLHWANET-UHFFFAOYSA-N -1 3 256.371 3.226 20 30 CGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCC2(C)C)cc1[O-] ZINC000331250420 264181141 /nfs/dbraw/zinc/18/11/41/264181141.db2.gz YYLIAELATAQKDO-CQSZACIVSA-N -1 3 275.348 3.478 20 30 CGEDHM CC1(C)CCC[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329928382 278237965 /nfs/dbraw/zinc/23/79/65/278237965.db2.gz MJFBXXJXHRKGKP-QMMMGPOBSA-N -1 3 254.355 3.122 20 30 CGEDHM C[C@H](CC#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177402731 327721403 /nfs/dbraw/zinc/72/14/03/327721403.db2.gz JJTZAOFSFFOPPK-GFCCVEGCSA-N -1 3 296.326 3.216 20 30 CGEDHM CCN(Cc1cc([O-])ccc1Br)C[C@H](C)C#N ZINC000091983783 330405913 /nfs/dbraw/zinc/40/59/13/330405913.db2.gz NQYKAILUIDGQFE-SNVBAGLBSA-N -1 3 297.196 3.136 20 30 CGEDHM C=CCCOCCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000436650596 330682304 /nfs/dbraw/zinc/68/23/04/330682304.db2.gz SCJBBAPLHKXJFJ-UHFFFAOYSA-N -1 3 288.347 3.358 20 30 CGEDHM C=CCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000447879849 330879163 /nfs/dbraw/zinc/87/91/63/330879163.db2.gz SJXJXNHZZLGGKB-UHFFFAOYSA-N -1 3 297.351 3.125 20 30 CGEDHM C=CCCCCCN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492399434 332395550 /nfs/dbraw/zinc/39/55/50/332395550.db2.gz OHTWQSNCPZKFMU-HJWRWDBZSA-N -1 3 274.364 3.005 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 ZINC000493829666 332455709 /nfs/dbraw/zinc/45/57/09/332455709.db2.gz XFWPPMLRVSVNEZ-WJAVYJQDSA-N -1 3 261.321 3.039 20 30 CGEDHM CC(C)(C)c1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354481772 526797432 /nfs/dbraw/zinc/79/74/32/526797432.db2.gz YMHVWZNPARHVNH-CYBMUJFWSA-N -1 3 279.343 3.264 20 30 CGEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1C ZINC000192782525 527205113 /nfs/dbraw/zinc/20/51/13/527205113.db2.gz SHZFLWSVVQBLSB-HNNXBMFYSA-N -1 3 278.311 3.083 20 30 CGEDHM CC(C)c1ccc(C(=O)NCc2ccc(C#N)cc2)c([O-])c1 ZINC000436761696 528074049 /nfs/dbraw/zinc/07/40/49/528074049.db2.gz NMESARFIANNSQK-UHFFFAOYSA-N -1 3 294.354 3.317 20 30 CGEDHM CC(=NNC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000727651830 571760086 /nfs/dbraw/zinc/76/00/86/571760086.db2.gz BNSGQISMJIFVBQ-UHFFFAOYSA-N -1 3 252.745 3.302 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2ccc(O)cc2)ccc1[O-] ZINC000728231948 571797297 /nfs/dbraw/zinc/79/72/97/571797297.db2.gz OPGSNMRUTPMCGC-YWEYNIOJSA-N -1 3 254.285 3.302 20 30 CGEDHM CC(=NNCc1cc(F)ccc1F)c1ccc([O-])cc1F ZINC000729933248 571937232 /nfs/dbraw/zinc/93/72/32/571937232.db2.gz VFZUXGWPEVQDGE-UHFFFAOYSA-N -1 3 294.276 3.323 20 30 CGEDHM C#Cc1cccc(N(C)Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000750825006 572328863 /nfs/dbraw/zinc/32/88/63/572328863.db2.gz BLLBXCJIGXVARM-UHFFFAOYSA-N -1 3 297.329 3.352 20 30 CGEDHM CCC(Cc1cccs1)N=Nc1cn[n-]c(=O)c1Cl ZINC000730947726 572386613 /nfs/dbraw/zinc/38/66/13/572386613.db2.gz FRXXNIWREATYRA-UHFFFAOYSA-N -1 3 296.783 3.318 20 30 CGEDHM CC1(C)[C@H](/N=C/c2ccccc2[O-])[C@@H]2CCCO[C@H]21 ZINC000741463340 572499693 /nfs/dbraw/zinc/49/96/93/572499693.db2.gz DIALJEPWRDFLRU-FWDAAWMGSA-N -1 3 259.349 3.015 20 30 CGEDHM C[C@]1(C/N=C/c2cc(Br)ccc2[O-])CCOC1 ZINC000733080763 572506756 /nfs/dbraw/zinc/50/67/56/572506756.db2.gz AIWPHILECKVBEC-BKNIFWKGSA-N -1 3 298.180 3.000 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000733904154 572612361 /nfs/dbraw/zinc/61/23/61/572612361.db2.gz VFVZWWMKXYCQFP-OYVKMAIOSA-N -1 3 290.407 3.223 20 30 CGEDHM COc1cccc([O-])c1/C=N\Cc1cc(C#N)ccc1F ZINC000743042427 572635576 /nfs/dbraw/zinc/63/55/76/572635576.db2.gz KRDKREXYQNSVRL-GRSHGNNSSA-N -1 3 284.290 3.031 20 30 CGEDHM CCc1cnc(CC/N=C/c2c([O-])cccc2OC)s1 ZINC000743043986 572635785 /nfs/dbraw/zinc/63/57/85/572635785.db2.gz CBWHOZHZLZDVIC-MHWRWJLKSA-N -1 3 290.388 3.081 20 30 CGEDHM CC[C@@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000734979688 572694529 /nfs/dbraw/zinc/69/45/29/572694529.db2.gz KKLSLCDBZGSGEN-CYBMUJFWSA-N -1 3 294.420 3.062 20 30 CGEDHM CC[C@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000734979691 572694699 /nfs/dbraw/zinc/69/46/99/572694699.db2.gz KKLSLCDBZGSGEN-ZDUSSCGKSA-N -1 3 294.420 3.062 20 30 CGEDHM CC(C)(C/N=C\c1ccc(O)c([O-])c1O)Cc1ccccc1 ZINC000735228606 572707135 /nfs/dbraw/zinc/70/71/35/572707135.db2.gz DCANOIKNYNCEAI-ODLFYWEKSA-N -1 3 299.370 3.491 20 30 CGEDHM C[C@@H]1CC(=NOCc2cccnc2)c2c1c(F)ccc2[O-] ZINC000746577805 572882056 /nfs/dbraw/zinc/88/20/56/572882056.db2.gz VSDHYATZWVSSSH-SNVBAGLBSA-N -1 3 286.306 3.354 20 30 CGEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccccc1[O-] ZINC000747062246 572907379 /nfs/dbraw/zinc/90/73/79/572907379.db2.gz VVULJINXWJPKKD-UHFFFAOYSA-N -1 3 271.276 3.055 20 30 CGEDHM CCC[C@H](C)C(CC)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000748248929 572970368 /nfs/dbraw/zinc/97/03/68/572970368.db2.gz OGVVKYYOMKPKGZ-ZDUSSCGKSA-N -1 3 296.436 3.308 20 30 CGEDHM C#Cc1cccc(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC000748835433 572986691 /nfs/dbraw/zinc/98/66/91/572986691.db2.gz UTSVJZRZADKPFN-UHFFFAOYSA-N -1 3 265.312 3.188 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC(C)(C)C[C@H]2C)c1[O-] ZINC000749008291 572988161 /nfs/dbraw/zinc/98/81/61/572988161.db2.gz UOBSBINNJCTLHQ-AYSHDEAUSA-N -1 3 290.407 3.222 20 30 CGEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)C(F)(F)F ZINC000901376184 620868689 /nfs/dbraw/zinc/86/86/89/620868689.db2.gz QKGOQACGWWTRCC-QMMMGPOBSA-N -1 3 279.233 3.132 20 30 CGEDHM C#CC[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000833360432 605134097 /nfs/dbraw/zinc/13/40/97/605134097.db2.gz IFROGUOCTNBGNA-QGZVFWFLSA-N -1 3 297.329 3.378 20 30 CGEDHM C=CC[C@H](C)N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833369814 605356774 /nfs/dbraw/zinc/35/67/74/605356774.db2.gz FREYWKRIDMZEKK-QPUJVOFHSA-N -1 3 271.719 3.159 20 30 CGEDHM Cc1ccccc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822345808 606303926 /nfs/dbraw/zinc/30/39/26/606303926.db2.gz SDNRAPIXVLHRMU-SREVYHEPSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1ccccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822345808 606303927 /nfs/dbraw/zinc/30/39/27/606303927.db2.gz SDNRAPIXVLHRMU-SREVYHEPSA-N -1 3 296.355 3.133 20 30 CGEDHM CC1=CCC[C@@H](C)[C@@H]1CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824852702 608290060 /nfs/dbraw/zinc/29/00/60/608290060.db2.gz QGZPYINSLGUBNP-IUODEOHRSA-N -1 3 296.378 3.257 20 30 CGEDHM CC1=CCC[C@@H](C)[C@@H]1CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824852702 608290061 /nfs/dbraw/zinc/29/00/61/608290061.db2.gz QGZPYINSLGUBNP-IUODEOHRSA-N -1 3 296.378 3.257 20 30 CGEDHM C=CCCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823894910 608588114 /nfs/dbraw/zinc/58/81/14/608588114.db2.gz ZNNLOFCFMZZXBZ-JTQLQIEISA-N -1 3 275.331 3.163 20 30 CGEDHM CCC(CC)CN=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825081861 609470725 /nfs/dbraw/zinc/47/07/25/609470725.db2.gz NYTHVISCBMIRGM-UHFFFAOYSA-N -1 3 292.774 3.354 20 30 CGEDHM CCC(CC)CN=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825081861 609470727 /nfs/dbraw/zinc/47/07/27/609470727.db2.gz NYTHVISCBMIRGM-UHFFFAOYSA-N -1 3 292.774 3.354 20 30 CGEDHM N#CC1(CCCCS(=O)(=O)c2cccc([O-])c2)CCC1 ZINC000899484732 620702400 /nfs/dbraw/zinc/70/24/00/620702400.db2.gz WYMSJIYPOVHXAV-UHFFFAOYSA-N -1 3 293.388 3.030 20 30 CGEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000890557065 617640884 /nfs/dbraw/zinc/64/08/84/617640884.db2.gz RIZZVLVCEOLMTB-CYBMUJFWSA-N -1 3 259.349 3.306 20 30 CGEDHM CC(C)(C)CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000900094265 620761099 /nfs/dbraw/zinc/76/10/99/620761099.db2.gz KIXYEQCIUKDNMO-UHFFFAOYSA-N -1 3 253.317 3.370 20 30 CGEDHM C[C@@H]1C[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096839 620761970 /nfs/dbraw/zinc/76/19/70/620761970.db2.gz QVPGPJOTFYFRDC-RDDDGLTNSA-N -1 3 274.147 3.367 20 30 CGEDHM CSC1(C/N=C\c2cc(Cl)ccc2[O-])CCOCC1 ZINC000255233308 618120391 /nfs/dbraw/zinc/12/03/91/618120391.db2.gz ORCINIJEIBYXOT-SXGWCWSVSA-N -1 3 299.823 3.377 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc(C#N)s2)ccc1[O-] ZINC000255304327 618183165 /nfs/dbraw/zinc/18/31/65/618183165.db2.gz CWQVXYVORDXWBO-ALCCZGGFSA-N -1 3 285.324 3.230 20 30 CGEDHM CCCCCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000104759116 619204948 /nfs/dbraw/zinc/20/49/48/619204948.db2.gz HBASCTXNMABPGV-UHFFFAOYSA-N -1 3 278.278 3.123 20 30 CGEDHM CCCCCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000104759116 619204949 /nfs/dbraw/zinc/20/49/49/619204949.db2.gz HBASCTXNMABPGV-UHFFFAOYSA-N -1 3 278.278 3.123 20 30 CGEDHM Cc1cccc(NN=Cc2c(F)ccc([O-])c2F)c1 ZINC000794451922 619743503 /nfs/dbraw/zinc/74/35/03/619743503.db2.gz IWUHZYOYLHMTNX-UHFFFAOYSA-N -1 3 262.259 3.425 20 30 CGEDHM C=CCC1(C(=O)[N-]OCc2cccc(C)n2)CCCCC1 ZINC000898931020 620609831 /nfs/dbraw/zinc/60/98/31/620609831.db2.gz SCKZUCVYGAAJPD-UHFFFAOYSA-N -1 3 288.391 3.464 20 30 CGEDHM COCCC1(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000901371649 620866401 /nfs/dbraw/zinc/86/64/01/620866401.db2.gz XGIKJTYODLPHDZ-UHFFFAOYSA-N -1 3 299.370 3.374 20 30 CGEDHM CC[C@@H](C)[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372180 620866447 /nfs/dbraw/zinc/86/64/47/620866447.db2.gz UCJOHHABXPZCGV-MNOVXSKESA-N -1 3 253.317 3.226 20 30 CGEDHM CC(C)(C#N)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182511 621881632 /nfs/dbraw/zinc/88/16/32/621881632.db2.gz GLHSSLYDDCWSHV-UHFFFAOYSA-N -1 3 287.146 3.261 20 30 CGEDHM N#CC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1 ZINC000904182346 621881725 /nfs/dbraw/zinc/88/17/25/621881725.db2.gz AWOSYGJHDJYNOU-UHFFFAOYSA-N -1 3 299.157 3.405 20 30 CGEDHM CC[C@H]1C[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904173459 621885077 /nfs/dbraw/zinc/88/50/77/621885077.db2.gz MUWDRBQLCFYYAN-ZFWWWQNUSA-N -1 3 295.354 3.139 20 30 CGEDHM C#CCCCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174125 621885178 /nfs/dbraw/zinc/88/51/78/621885178.db2.gz UAXFXVKICKBYBR-UHFFFAOYSA-N -1 3 263.312 3.127 20 30 CGEDHM CCc1nc(C)c(C(=O)N([O-])Cc2ccccc2Cl)o1 ZINC000904192931 621887495 /nfs/dbraw/zinc/88/74/95/621887495.db2.gz FNSVOAOZYZBTSI-UHFFFAOYSA-N -1 3 294.738 3.230 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000904204903 621889703 /nfs/dbraw/zinc/88/97/03/621889703.db2.gz VMHJCPWBPYTDEH-LBPRGKRZSA-N -1 3 295.427 3.014 20 30 CGEDHM CCCCN([O-])C(=O)CCCC(=O)c1ccc(OC)cc1 ZINC000904213321 621890739 /nfs/dbraw/zinc/89/07/39/621890739.db2.gz OMIWWSYQGWMINU-UHFFFAOYSA-N -1 3 293.363 3.066 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCOCC(F)(F)F ZINC000912782316 622698801 /nfs/dbraw/zinc/69/88/01/622698801.db2.gz JMXVNUVYMRCOMZ-SOFYXZRVSA-N -1 3 281.661 3.043 20 30 CGEDHM CC(=NNCC(C)C)c1cc(Br)ccc1[O-] ZINC000916366289 624152209 /nfs/dbraw/zinc/15/22/09/624152209.db2.gz SDVLFOPAGJAPOU-UHFFFAOYSA-N -1 3 285.185 3.124 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cccs2)nc(C)n1 ZINC000916879641 624221494 /nfs/dbraw/zinc/22/14/94/624221494.db2.gz CQOFUEUBDZGSQU-CFHLNLSMSA-N -1 3 283.356 3.045 20 30 CGEDHM CCc1nc2ccccc2n1N=Cc1ccc([O-])c(F)c1 ZINC000755625472 626632431 /nfs/dbraw/zinc/63/24/31/626632431.db2.gz QUFVGTZLJJGHQD-UHFFFAOYSA-N -1 3 283.306 3.326 20 30 CGEDHM Cc1c(Cl)cccc1NN=Cc1ccc([O-])cn1 ZINC000755642804 626633332 /nfs/dbraw/zinc/63/33/32/626633332.db2.gz FSHUXHYDICUGHD-UHFFFAOYSA-N -1 3 261.712 3.195 20 30 CGEDHM [O-]c1cccc(Cl)c1C=NNCc1ccc(F)c(F)c1 ZINC000755655685 626634132 /nfs/dbraw/zinc/63/41/32/626634132.db2.gz FAYNCIHXHDLLID-UHFFFAOYSA-N -1 3 296.704 3.448 20 30 CGEDHM [O-]c1ccc(C=NNCc2ccc(Cl)cc2)cc1F ZINC000755774953 626646093 /nfs/dbraw/zinc/64/60/93/626646093.db2.gz XZJBNDPSTNPDEI-UHFFFAOYSA-N -1 3 278.714 3.308 20 30 CGEDHM Cc1cc(F)ccc1NN=Cc1ccc([O-])c(F)c1 ZINC000755802776 626648374 /nfs/dbraw/zinc/64/83/74/626648374.db2.gz WVYDJPUMJQYIQY-UHFFFAOYSA-N -1 3 262.259 3.425 20 30 CGEDHM C[C@H](C[C@@H]1CCOC1)/N=C\c1cc(Cl)ccc1[O-] ZINC000759644939 626911398 /nfs/dbraw/zinc/91/13/98/626911398.db2.gz VWZMWNADEVUHET-ARWOWFLISA-N -1 3 267.756 3.280 20 30 CGEDHM CC[C@H](C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000760342135 626961606 /nfs/dbraw/zinc/96/16/06/626961606.db2.gz VZEIXPNZPQLHAD-SWLSCSKDSA-N -1 3 279.343 3.480 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc(F)cn1 ZINC000763098468 627140693 /nfs/dbraw/zinc/14/06/93/627140693.db2.gz XLXMQQHYCRVMRB-OMCISZLKSA-N -1 3 264.687 3.199 20 30 CGEDHM CC(N=Nc1cnc2ccccc2n1)c1sccc1[O-] ZINC000769781150 627577393 /nfs/dbraw/zinc/57/73/93/627577393.db2.gz FFHASSZXTIYNIM-UHFFFAOYSA-N -1 3 284.344 3.233 20 30 CGEDHM Cc1cc(=O)[n-]c(CS[C@@H](C)c2cccc(C#N)c2)n1 ZINC000785535516 628869703 /nfs/dbraw/zinc/86/97/03/628869703.db2.gz QZQWEKDBNRHPQQ-NSHDSACASA-N -1 3 285.372 3.357 20 30 CGEDHM C#C[C@@H](CCC)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792480447 629361825 /nfs/dbraw/zinc/36/18/25/629361825.db2.gz KBLWKYTVJFNJHB-AWEZNQCLSA-N -1 3 267.328 3.077 20 30 CGEDHM CC(N=Nc1cccc(Cl)n1)c1ccc([O-])c(F)c1 ZINC000793163167 629419749 /nfs/dbraw/zinc/41/97/49/629419749.db2.gz YERWLJCXHCRFTH-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM CC(N=Nc1cccc(Cl)n1)c1sccc1[O-] ZINC000793175599 629423406 /nfs/dbraw/zinc/42/34/06/629423406.db2.gz WVLSWFFVVONBJI-UHFFFAOYSA-N -1 3 267.741 3.338 20 30 CGEDHM C[C@H](NN=Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000794496327 629547691 /nfs/dbraw/zinc/54/76/91/629547691.db2.gz GLSCWHZTQDAJFU-JTQLQIEISA-N -1 3 276.286 3.355 20 30 CGEDHM [O-]c1ccc(F)c(C=NNc2cc(Cl)ccn2)c1F ZINC000794525982 629549878 /nfs/dbraw/zinc/54/98/78/629549878.db2.gz DVXJVEDHQMKXNI-UHFFFAOYSA-N -1 3 283.665 3.165 20 30 CGEDHM COc1ccc(NN=Cc2c(F)ccc([O-])c2F)cc1 ZINC000794524083 629550027 /nfs/dbraw/zinc/55/00/27/629550027.db2.gz VGFLZIGXXTYAHI-UHFFFAOYSA-N -1 3 278.258 3.125 20 30 CGEDHM C=CCO[N-]C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000837049658 634848893 /nfs/dbraw/zinc/84/88/93/634848893.db2.gz MLFUOQMVLVFJBK-UHFFFAOYSA-N -1 3 299.342 3.314 20 30 CGEDHM CCc1ccc(C#CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000815883834 631829167 /nfs/dbraw/zinc/82/91/67/631829167.db2.gz PMOUPIJZHBUDHN-UHFFFAOYSA-N -1 3 283.302 3.084 20 30 CGEDHM C=CCN(CC(=O)OCC)Cc1ccc2ccccc2c1[O-] ZINC000816491185 631991280 /nfs/dbraw/zinc/99/12/80/631991280.db2.gz BRIJYNAVHKSECN-UHFFFAOYSA-N -1 3 299.370 3.097 20 30 CGEDHM C=CCN(CCC#N)C(=O)c1cc2sccc2c([O-])c1 ZINC000816803317 632052232 /nfs/dbraw/zinc/05/22/32/632052232.db2.gz WLHBTJIYEIENCM-UHFFFAOYSA-N -1 3 286.356 3.149 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCCC1(O)CCC1 ZINC000817707698 632202570 /nfs/dbraw/zinc/20/25/70/632202570.db2.gz LPSZJUCKUDTJNI-YBEGLDIGSA-N -1 3 267.756 3.160 20 30 CGEDHM C#CCCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823841525 633157675 /nfs/dbraw/zinc/15/76/75/633157675.db2.gz OIKKYRGVPFXKAB-UHFFFAOYSA-N -1 3 278.768 3.026 20 30 CGEDHM C#CCCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823841525 633157677 /nfs/dbraw/zinc/15/76/77/633157677.db2.gz OIKKYRGVPFXKAB-UHFFFAOYSA-N -1 3 278.768 3.026 20 30 CGEDHM 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C=C(C)CO[N-]C(=O)Cc1c(C)nc2ccccc2c1C ZINC000846539372 636195999 /nfs/dbraw/zinc/19/59/99/636195999.db2.gz GUMJLVSGPQXNIW-UHFFFAOYSA-N -1 3 284.359 3.018 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1cc(C)sc1C ZINC000846546907 636198305 /nfs/dbraw/zinc/19/83/05/636198305.db2.gz MDXCYJJOQVCPIK-JTQLQIEISA-N -1 3 267.394 3.310 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1ccc(C)c(C)c1 ZINC000846548767 636199331 /nfs/dbraw/zinc/19/93/31/636199331.db2.gz VGYOPUFZOZEZRZ-AWEZNQCLSA-N -1 3 277.364 3.085 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Cc1cc(Cl)ccc1Cl ZINC000846550306 636200130 /nfs/dbraw/zinc/20/01/30/636200130.db2.gz MGUMPRTZMCRJFH-QMMMGPOBSA-N -1 3 274.147 3.158 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCCCc1ccc(O)cc1 ZINC000846663490 636215575 /nfs/dbraw/zinc/21/55/75/636215575.db2.gz VFVGXVZWALYBOP-UHFFFAOYSA-N -1 3 277.364 3.119 20 30 CGEDHM C=CCCO[N-]C(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000856027337 638286058 /nfs/dbraw/zinc/28/60/58/638286058.db2.gz ITIUZPDGSQNDJG-UHFFFAOYSA-N -1 3 279.767 3.287 20 30 CGEDHM 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286.375 3.065 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2c(F)cc(C#N)cc2Cl)o1 ZINC001192683317 810815262 /nfs/dbraw/zinc/81/52/62/810815262.db2.gz PZMLRAGNJWPNNG-UHFFFAOYSA-N -1 3 289.653 3.068 20 30 CGEDHM N#Cc1ccccc1NC(=S)Nc1cc(F)ccc1[O-] ZINC001196320236 811333831 /nfs/dbraw/zinc/33/38/31/811333831.db2.gz KUCHTWQGSMHGGL-UHFFFAOYSA-N -1 3 287.319 3.212 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2c(C)cc(C)cc2C)c1C#N ZINC001202948713 812206834 /nfs/dbraw/zinc/20/68/34/812206834.db2.gz NHUCTWAADLVDEI-UHFFFAOYSA-N -1 3 284.319 3.424 20 30 CGEDHM CCCCN(CC#N)Cc1cc(Br)ccc1[O-] ZINC001203645992 812414333 /nfs/dbraw/zinc/41/43/33/812414333.db2.gz XUONRNUEFUSXEX-UHFFFAOYSA-N -1 3 297.196 3.280 20 30 CGEDHM Cc1nc(C#N)cc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205087588 812855922 /nfs/dbraw/zinc/85/59/22/812855922.db2.gz USXLHATUWGMKRX-UHFFFAOYSA-N -1 3 279.221 3.048 20 30 CGEDHM CC(=O)Nc1ccc(Nc2c(F)ccc(C)c2[O-])cc1C#N ZINC001215740692 815571512 /nfs/dbraw/zinc/57/15/12/815571512.db2.gz OJUKSZFJTSXGCI-UHFFFAOYSA-N -1 3 299.305 3.413 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cncc(N4CCCC4)c3)ccc21 ZINC001242622663 823067337 /nfs/dbraw/zinc/06/73/37/823067337.db2.gz YUPNCVDGHLJFDT-ZZEZOPTASA-N -1 3 293.370 3.473 20 30 CGEDHM N#Cc1cncc(Nc2ccc(Br)cc2[O-])c1 ZINC001210086172 814280566 /nfs/dbraw/zinc/28/05/66/814280566.db2.gz WHXAQBCROUZISD-UHFFFAOYSA-N -1 3 290.120 3.165 20 30 CGEDHM COc1cccc(Nc2ccc(C(C)=O)c([O-])c2)c1C#N ZINC001210123556 814301157 /nfs/dbraw/zinc/30/11/57/814301157.db2.gz RLFBQZFTPPLQKW-UHFFFAOYSA-N -1 3 282.299 3.219 20 30 CGEDHM CC(C)(C)c1noc([N-]c2cnn(C(F)(F)F)c2)c1C#N ZINC001210360650 814420837 /nfs/dbraw/zinc/42/08/37/814420837.db2.gz YRUKFIFLMCVKSC-UHFFFAOYSA-N -1 3 299.256 3.260 20 30 CGEDHM Cc1ccc([N+](=O)[O-])cc1Nc1ccc([O-])cc1C#N ZINC001211289802 814872107 /nfs/dbraw/zinc/87/21/07/814872107.db2.gz LJCPAHAYNHQSQA-UHFFFAOYSA-N -1 3 269.260 3.224 20 30 CGEDHM CC(C)c1ccc([N-]c2oncc2C#N)c(Cl)n1 ZINC001216443335 815830638 /nfs/dbraw/zinc/83/06/38/815830638.db2.gz MUUXUVKSAPWKEQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/75/90/36/817759036.db2.gz PWFWAGAAZWBLLF-NSHDSACASA-N -1 3 284.311 3.282 20 30 CGEDHM CCCc1c([O-])ccc(C(C)=O)c1OC1CC(C#N)C1 ZINC001228135121 817820519 /nfs/dbraw/zinc/82/05/19/817820519.db2.gz WBRNCTUFZQEWKL-UHFFFAOYSA-N -1 3 273.332 3.228 20 30 CGEDHM C#C[C@@H](CCCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228623341 817955843 /nfs/dbraw/zinc/95/58/43/817955843.db2.gz RMDJQBDJXUJXSM-LBPRGKRZSA-N -1 3 286.327 3.378 20 30 CGEDHM C#CC(C#C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231224183 818060594 /nfs/dbraw/zinc/06/05/94/818060594.db2.gz XDDOFXXYNQNZNJ-UHFFFAOYSA-N -1 3 264.280 3.198 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)Cc1ccco1 ZINC001233803671 818708648 /nfs/dbraw/zinc/70/86/48/818708648.db2.gz RLHYDNNADJDJBE-YAFRSCOQSA-N -1 3 275.304 3.106 20 30 CGEDHM CCCC(=O)[C@H](CCC)Oc1cc([O-])cc(C#N)c1 ZINC001234143312 818789925 /nfs/dbraw/zinc/78/99/25/818789925.db2.gz CWHWECNTNFDMLL-HNNXBMFYSA-N -1 3 261.321 3.181 20 30 CGEDHM CC(C)C[C@@H](Oc1cc([O-])cc(C#N)c1)C(=O)OC(C)C ZINC001234142462 818789960 /nfs/dbraw/zinc/78/99/60/818789960.db2.gz VXNISHXWCYIVCV-OAHLLOKOSA-N -1 3 291.347 3.009 20 30 CGEDHM COc1cccc2c1[C@@H](Oc1cc([O-])cc(C#N)c1)CCO2 ZINC001234144683 818791206 /nfs/dbraw/zinc/79/12/06/818791206.db2.gz SNJIDFRUHRBICS-INIZCTEOSA-N -1 3 297.310 3.175 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2cccc([O-])c2C(N)=O)C1 ZINC001234148008 818791822 /nfs/dbraw/zinc/79/18/22/818791822.db2.gz ASVHJJUELZXPEM-SWLSCSKDSA-N -1 3 287.359 3.171 20 30 CGEDHM C=CC[C@@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234688825 818915559 /nfs/dbraw/zinc/91/55/59/818915559.db2.gz KWBGTVYVPOKQNN-LLVKDONJSA-N -1 3 256.305 3.193 20 30 CGEDHM C=CCN(CC=C)Cc1c([O-])cc(OC)cc1Cl ZINC001236801968 819599581 /nfs/dbraw/zinc/59/95/81/819599581.db2.gz FXCPKKXKLNHUPU-UHFFFAOYSA-N -1 3 267.756 3.228 20 30 CGEDHM CC(C)(C#N)c1ccc(-c2ccc([O-])c(F)c2)cn1 ZINC001240787169 821330005 /nfs/dbraw/zinc/33/00/05/821330005.db2.gz PFBMJEKZOQMXER-UHFFFAOYSA-N -1 3 256.280 3.394 20 30 CGEDHM Cc1cc(N(C)C)ncc1-c1cc(/C=N/[O-])ccc1F ZINC001241250234 821671996 /nfs/dbraw/zinc/67/19/96/821671996.db2.gz IZIQVOBYHXIONA-QGMBQPNBSA-N -1 3 273.311 3.070 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cc(O)cc(F)c3)ccc21 ZINC001241280697 821699903 /nfs/dbraw/zinc/69/99/03/821699903.db2.gz SAHVZKFBCIHAEN-ICFOKQHNSA-N -1 3 257.264 3.323 20 30 CGEDHM C[C@@H](O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001242555114 823030256 /nfs/dbraw/zinc/03/02/56/823030256.db2.gz SQEXBBWIJGVIOK-IYPWXLATSA-N -1 3 259.280 3.354 20 30 CGEDHM O=C([C@@H]1CCC[C@H](F)C1)N([O-])Cc1ccc(F)cc1 ZINC001339281777 936364448 /nfs/dbraw/zinc/36/44/48/936364448.db2.gz TUAFODSKRGOYMO-YPMHNXCESA-N -1 3 269.291 3.072 20 30 CGEDHM Cc1cc(C)c(C([O-])=C(C#N)c2ncc(Cl)n2C)s1 ZINC001345643745 936819704 /nfs/dbraw/zinc/81/97/04/936819704.db2.gz UXFPHORDPPYZLK-SECBINFHSA-N -1 3 293.779 3.242 20 30 CGEDHM CC[C@H](COC(=O)c1cc([O-])cc(C#N)c1)CC(F)F ZINC001327109061 928601928 /nfs/dbraw/zinc/60/19/28/928601928.db2.gz CECNKAGMXTXRBG-VIFPVBQESA-N -1 3 283.274 3.102 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\Sc1cc(F)ccc1F ZINC001452740855 937397697 /nfs/dbraw/zinc/39/76/97/937397697.db2.gz VDCOKPORWRTJBN-ATJFRQLMSA-N -1 3 285.315 3.193 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001458024636 937449098 /nfs/dbraw/zinc/44/90/98/937449098.db2.gz QNAGSFALLCZWCO-ZJUUUORDSA-N -1 3 287.281 3.225 20 30 CGEDHM C#C[C@H](CCC)Oc1cc(O)cc([O-])c1Br ZINC001229096644 932093397 /nfs/dbraw/zinc/09/33/97/932093397.db2.gz HCXASQOEEIRCRF-SECBINFHSA-N -1 3 285.137 3.041 20 30 CGEDHM C#C[C@@H]1CCC[C@H]1Oc1cc(O)cc([O-])c1Br ZINC001229096374 932093762 /nfs/dbraw/zinc/09/37/62/932093762.db2.gz COSQOMMPBASNMP-LDYMZIIASA-N -1 3 297.148 3.041 20 30 CGEDHM C#C[C@H](CC)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229353819 932138428 /nfs/dbraw/zinc/13/84/28/932138428.db2.gz RODUMFMBIJUAQY-MRVPVSSYSA-N -1 3 264.375 3.079 20 30 CGEDHM CCC#C[C@@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229568947 932173858 /nfs/dbraw/zinc/17/38/58/932173858.db2.gz IFGSGUCKUOIWJB-MRVPVSSYSA-N -1 3 264.375 3.161 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229955718 932509732 /nfs/dbraw/zinc/50/97/32/932509732.db2.gz YLLDCRYSPOBDQL-LBPRGKRZSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229955718 932509738 /nfs/dbraw/zinc/50/97/38/932509738.db2.gz YLLDCRYSPOBDQL-LBPRGKRZSA-N -1 3 272.352 3.380 20 30 CGEDHM CO/N=C/c1cc(-c2ccc([O-])c(C#N)c2)ccc1F ZINC001242566235 932703833 /nfs/dbraw/zinc/70/38/33/932703833.db2.gz OWMSLRJEXZMHNG-GIJQJNRQSA-N -1 3 270.263 3.050 20 30 CGEDHM CCCCN([O-])C(=O)COc1c(Cl)cccc1Cl ZINC001306897422 932762705 /nfs/dbraw/zinc/76/27/05/932762705.db2.gz LXUKUNYYOSVJGK-UHFFFAOYSA-N -1 3 292.162 3.390 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001306897030 932893072 /nfs/dbraw/zinc/89/30/72/932893072.db2.gz WSISCHKFACWVNF-UHFFFAOYSA-N -1 3 280.324 3.315 20 30 CGEDHM C=C(C)CO[N-]C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001469741670 937742971 /nfs/dbraw/zinc/74/29/71/937742971.db2.gz OTRCXRPAIPAJFW-KGLIPLIRSA-N -1 3 259.349 3.050 20 30 CGEDHM O=C(c1ncccc1F)N([O-])CCCCc1ccccc1 ZINC001472619496 937778598 /nfs/dbraw/zinc/77/85/98/937778598.db2.gz OALRLNAXSGBYAN-UHFFFAOYSA-N -1 3 288.322 3.075 20 30 CGEDHM CC(C)[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC001472619730 937778621 /nfs/dbraw/zinc/77/86/21/937778621.db2.gz DMGRUGYXFPKWOZ-JTQLQIEISA-N -1 3 255.745 3.350 20 30 CGEDHM C#C[C@@H](CC)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001514597582 938001900 /nfs/dbraw/zinc/00/19/00/938001900.db2.gz UXTOBCILWXJZDT-QMMMGPOBSA-N -1 3 278.258 3.069 20 30 CGEDHM Cc1ccc(F)cc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001524706264 938044916 /nfs/dbraw/zinc/04/49/16/938044916.db2.gz YTQPAHLESOGNHF-LBPRGKRZSA-N -1 3 272.254 3.158 20 30 CGEDHM O=C(Cc1cccc(O)c1)N([O-])CCCCc1ccccc1 ZINC001559034223 938219095 /nfs/dbraw/zinc/21/90/95/938219095.db2.gz QXGAFDUJXLHFKA-UHFFFAOYSA-N -1 3 299.370 3.175 20 30 CGEDHM CC(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC001559036834 938219294 /nfs/dbraw/zinc/21/92/94/938219294.db2.gz YMAJOVRWKGYYLC-UHFFFAOYSA-N -1 3 293.319 3.121 20 30 CGEDHM C=C(C)c1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001559296717 938224815 /nfs/dbraw/zinc/22/48/15/938224815.db2.gz BYHPDBDFQZCWKM-UHFFFAOYSA-N -1 3 271.276 3.472 20 30 CGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001567084356 961115464 /nfs/dbraw/zinc/11/54/64/961115464.db2.gz IDKWFCKUHKNXBL-LLVKDONJSA-N -1 3 291.347 3.110 20 30 CGEDHM C#Cc1ccc(Nc2cc(C)cc(F)c2-c2nnn[n-]2)cc1 ZINC001588374617 963268180 /nfs/dbraw/zinc/26/81/80/963268180.db2.gz DLGYQURSYAZGMA-UHFFFAOYSA-N -1 3 293.305 3.039 20 30 CGEDHM C#Cc1ccc(Nc2cc(C)cc(F)c2-c2nn[n-]n2)cc1 ZINC001588374617 963268187 /nfs/dbraw/zinc/26/81/87/963268187.db2.gz DLGYQURSYAZGMA-UHFFFAOYSA-N -1 3 293.305 3.039 20 30 CGEDHM C=C(CC)CSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588444349 963272177 /nfs/dbraw/zinc/27/21/77/963272177.db2.gz YDNXSACAJMQHEJ-UHFFFAOYSA-N -1 3 260.366 3.233 20 30 CGEDHM C=C(CC)CSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588444349 963272189 /nfs/dbraw/zinc/27/21/89/963272189.db2.gz YDNXSACAJMQHEJ-UHFFFAOYSA-N -1 3 260.366 3.233 20 30 CGEDHM C=CCCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC001588601293 963291770 /nfs/dbraw/zinc/29/17/70/963291770.db2.gz ITEVRGNEHOUUDJ-UHFFFAOYSA-N -1 3 260.366 3.315 20 30 CGEDHM C=CCCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC001588601293 963291776 /nfs/dbraw/zinc/29/17/76/963291776.db2.gz ITEVRGNEHOUUDJ-UHFFFAOYSA-N -1 3 260.366 3.315 20 30 CGEDHM C=CCCCCOc1ccc(-c2nnn[n-]2)cc1OCC ZINC001588596464 963292691 /nfs/dbraw/zinc/29/26/91/963292691.db2.gz RCXVTYJMFMRCPR-UHFFFAOYSA-N -1 3 288.351 3.001 20 30 CGEDHM C=CCCCCOc1ccc(-c2nn[n-]n2)cc1OCC ZINC001588596464 963292700 /nfs/dbraw/zinc/29/27/00/963292700.db2.gz RCXVTYJMFMRCPR-UHFFFAOYSA-N -1 3 288.351 3.001 20 30 CGEDHM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1cccc(C#N)c1 ZINC001589131668 963352852 /nfs/dbraw/zinc/35/28/52/963352852.db2.gz ZRRAVEANLUFOSI-SNVBAGLBSA-N -1 3 286.356 3.169 20 30 CGEDHM C=CC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621864066 349598685 /nfs/dbraw/zinc/59/86/85/349598685.db2.gz RIRTYQXWUFPAAN-UHFFFAOYSA-N -1 3 299.292 3.449 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c(F)c2)nc(C)n1 ZINC000041562186 344971824 /nfs/dbraw/zinc/97/18/24/344971824.db2.gz DWNQCYHYDZBHRP-ZDUSSCGKSA-N -1 3 283.306 3.031 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)n1C ZINC000041501619 344972074 /nfs/dbraw/zinc/97/20/74/344972074.db2.gz SDGMSOCRLGTVLN-NSHDSACASA-N -1 3 295.367 3.433 20 30 CGEDHM N#Cc1ccsc1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000052027907 345096014 /nfs/dbraw/zinc/09/60/14/345096014.db2.gz OLXRQWDDYSNEES-UHFFFAOYSA-N -1 3 282.246 3.289 20 30 CGEDHM C=CCCSCCNC(=O)c1cc([O-])ccc1Cl ZINC000597966878 347610246 /nfs/dbraw/zinc/61/02/46/347610246.db2.gz DSBLCOHKFFDSKR-UHFFFAOYSA-N -1 3 285.796 3.085 20 30 CGEDHM C[C@@H](C#N)N(Cc1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000602884335 348041195 /nfs/dbraw/zinc/04/11/95/348041195.db2.gz LEUVYVIHJUBVEZ-VIFPVBQESA-N -1 3 284.281 3.287 20 30 CGEDHM C=CCC1(NC(=O)c2cccc(OC)c2[O-])CCCC1 ZINC000619113883 349206674 /nfs/dbraw/zinc/20/66/74/349206674.db2.gz IASJFWZVTJIZPD-UHFFFAOYSA-N -1 3 275.348 3.020 20 30 CGEDHM N#Cc1c([N-]C(=O)c2cncs2)sc2c1CCCC2 ZINC000289649964 283083084 /nfs/dbraw/zinc/08/30/84/283083084.db2.gz CCPITVMPBFHZMZ-UHFFFAOYSA-N -1 3 289.385 3.207 20 30 CGEDHM C[C@@H](O[N-]C(=O)/C=C\c1ccc(C#N)cc1)c1ccccc1 ZINC000493307975 244139383 /nfs/dbraw/zinc/13/93/83/244139383.db2.gz WYNVJYQANJYWNF-XMXAVACDSA-N -1 3 292.338 3.380 20 30 CGEDHM Cc1oc2ncnc([N-]C(=O)c3sccc3C#N)c2c1C ZINC000118199145 370606364 /nfs/dbraw/zinc/60/63/64/370606364.db2.gz HINXLMKHAIAHKG-UHFFFAOYSA-N -1 3 298.327 3.025 20 30 CGEDHM Cn1nc([N-]c2snc(Cl)c2C#N)cc1C1CC1 ZINC000291066468 372108213 /nfs/dbraw/zinc/10/82/13/372108213.db2.gz GLSPXAWIQPBCQU-UHFFFAOYSA-N -1 3 279.756 3.023 20 30 CGEDHM CC(C)(C#N)CCCC[S@](=O)c1cccc([O-])c1 ZINC000435429125 372762939 /nfs/dbraw/zinc/76/29/39/372762939.db2.gz VQAXMTACWHQIAV-SFHVURJKSA-N -1 3 265.378 3.220 20 30 CGEDHM Cc1cc(Cl)cc(NC(=O)C2(C#N)CCCC2)c1[O-] ZINC000179805760 373919579 /nfs/dbraw/zinc/91/95/79/373919579.db2.gz LFXNWJPOEWHNKV-UHFFFAOYSA-N -1 3 278.739 3.377 20 30 CGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([O-])c1 ZINC000181880256 374186384 /nfs/dbraw/zinc/18/63/84/374186384.db2.gz RVMVEBOLMCVEOH-UHFFFAOYSA-N -1 3 294.354 3.316 20 30 CGEDHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329892598 374438601 /nfs/dbraw/zinc/43/86/01/374438601.db2.gz ADXOTXCGIFPVBB-VHSXEESVSA-N -1 3 268.382 3.368 20 30 CGEDHM C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000336269419 375767591 /nfs/dbraw/zinc/76/75/91/375767591.db2.gz VOGGARGLAAILAR-QFYYESIMSA-N -1 3 272.348 3.178 20 30 CGEDHM C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000336269420 375768408 /nfs/dbraw/zinc/76/84/08/375768408.db2.gz VOGGARGLAAILAR-QLJPJBMISA-N -1 3 272.348 3.178 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000539844130 376342048 /nfs/dbraw/zinc/34/20/48/376342048.db2.gz BHPXHUCQRBKZDU-YVEFUNNKSA-N -1 3 286.375 3.157 20 30 CGEDHM CCCOc1ccc(/C=N/[C@@H]2CCSC2)c([O-])c1 ZINC000266337442 378019228 /nfs/dbraw/zinc/01/92/28/378019228.db2.gz LRBHVNJCFOSNIN-KMHUVPDISA-N -1 3 265.378 3.105 20 30 CGEDHM C=CCN(Cc1cc([O-])ccc1Br)C1CC1 ZINC000350270738 379533538 /nfs/dbraw/zinc/53/35/38/379533538.db2.gz UOZJLMLHYJJKQM-UHFFFAOYSA-N -1 3 282.181 3.305 20 30 CGEDHM C=C(C)CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000351060990 379631662 /nfs/dbraw/zinc/63/16/62/379631662.db2.gz GGKRVCKTPYXUOK-UHFFFAOYSA-N -1 3 283.331 3.090 20 30 CGEDHM C=CCN(Cc1nc(C)ccc1[O-])c1ccccc1 ZINC000351494421 379724226 /nfs/dbraw/zinc/72/42/26/379724226.db2.gz NMMJTRZIOYAJDD-UHFFFAOYSA-N -1 3 254.333 3.288 20 30 CGEDHM C=CCOc1ccc(CNCc2cc([O-])cc(F)c2)cc1 ZINC000352923769 380039899 /nfs/dbraw/zinc/03/98/99/380039899.db2.gz XADYFDXFNXJAFL-UHFFFAOYSA-N -1 3 287.334 3.386 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(C)cc(Cl)c1 ZINC000417605118 380647039 /nfs/dbraw/zinc/64/70/39/380647039.db2.gz AGWBSRFTOGXEIN-ZDUSSCGKSA-N -1 3 267.756 3.157 20 30 CGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000360231377 381490678 /nfs/dbraw/zinc/49/06/78/381490678.db2.gz SDRBVUPLHGZXGF-ZETCQYMHSA-N -1 3 299.339 3.010 20 30 CGEDHM O=C(NCCC1CCCCC1)c1cc(F)cc2nn[n-]c21 ZINC000328657446 542444151 /nfs/dbraw/zinc/44/41/51/542444151.db2.gz PAICZQQUYMRQGF-UHFFFAOYSA-N -1 3 290.342 3.372 20 30 CGEDHM O=C(NCCC1CCCCC1)c1cc(F)cc2[n-]nnc21 ZINC000328657446 542444155 /nfs/dbraw/zinc/44/41/55/542444155.db2.gz PAICZQQUYMRQGF-UHFFFAOYSA-N -1 3 290.342 3.372 20 30 CGEDHM O=C(NCCC1CCCCC1)c1cc(F)cc2n[n-]nc21 ZINC000328657446 542444159 /nfs/dbraw/zinc/44/41/59/542444159.db2.gz PAICZQQUYMRQGF-UHFFFAOYSA-N -1 3 290.342 3.372 20 30 CGEDHM C=CCOc1ccccc1C(=O)Nc1ccc(OC)cc1[O-] ZINC000443578968 542668045 /nfs/dbraw/zinc/66/80/45/542668045.db2.gz TXIWEXYOJCTHIA-UHFFFAOYSA-N -1 3 299.326 3.218 20 30 CGEDHM CC(C)[C@@H](/N=C/c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000121547512 392414042 /nfs/dbraw/zinc/41/40/42/392414042.db2.gz WTRVCZPKUCBQAK-NGWPFTMJSA-N -1 3 277.364 3.177 20 30 CGEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c2ccccc21 ZINC000049456634 416471708 /nfs/dbraw/zinc/47/17/08/416471708.db2.gz VOGJQDJPMRLWKR-CYBMUJFWSA-N -1 3 275.311 3.063 20 30 CGEDHM Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000049457956 416471925 /nfs/dbraw/zinc/47/19/25/416471925.db2.gz PUCPUOFDQNBXMV-ZDUSSCGKSA-N -1 3 296.374 3.140 20 30 CGEDHM C[C@@H](C(=O)Nc1ccccc1[O-])c1cccc(C#N)c1 ZINC000336032724 228179844 /nfs/dbraw/zinc/17/98/44/228179844.db2.gz KEOOCGRSBUXXPM-LLVKDONJSA-N -1 3 266.300 3.006 20 30 CGEDHM CC(C)c1ccc(C(=O)NC[C@@H]2CCCC2=O)c([O-])c1 ZINC000331245645 264178821 /nfs/dbraw/zinc/17/88/21/264178821.db2.gz ROUVNXABJNYHPC-LBPRGKRZSA-N -1 3 275.348 3.189 20 30 CGEDHM C=CC[C@@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189652126 264317464 /nfs/dbraw/zinc/31/74/64/264317464.db2.gz ZNFYAHPHRCWNQI-MRVPVSSYSA-N -1 3 295.795 3.486 20 30 CGEDHM CC[C@](C)(C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000582102684 327855550 /nfs/dbraw/zinc/85/55/50/327855550.db2.gz YYBLDNIJYZOCKF-GOSISDBHSA-N -1 3 296.370 3.286 20 30 CGEDHM CC(C)O[C@@H]1C[C@H](/N=C/c2ccccc2[O-])C1(C)C ZINC000274161738 328208768 /nfs/dbraw/zinc/20/87/68/328208768.db2.gz FOFWJMBWVFAYRF-HGHQNMJOSA-N -1 3 261.365 3.403 20 30 CGEDHM C[C@H](C#N)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000340327286 328256772 /nfs/dbraw/zinc/25/67/72/328256772.db2.gz NQNAPRRZPLCIPQ-GFCCVEGCSA-N -1 3 280.327 3.081 20 30 CGEDHM CCc1cc(C(=O)NCC2CCC(C#N)CC2)ccc1[O-] ZINC000291760871 328266220 /nfs/dbraw/zinc/26/62/20/328266220.db2.gz UUJNKULMYFIHHF-UHFFFAOYSA-N -1 3 286.375 3.014 20 30 CGEDHM C=CC1CCN(C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000111632078 328371782 /nfs/dbraw/zinc/37/17/82/328371782.db2.gz JTILVPHIDWOOFI-UHFFFAOYSA-N -1 3 259.349 3.047 20 30 CGEDHM Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000156952930 330754857 /nfs/dbraw/zinc/75/48/57/330754857.db2.gz ASKOBAZMCGPTFG-INIZCTEOSA-N -1 3 294.354 3.476 20 30 CGEDHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000447926929 330880291 /nfs/dbraw/zinc/88/02/91/330880291.db2.gz NVJQVKAXPLPBCP-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM C#C[C@H](C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000491664233 332273325 /nfs/dbraw/zinc/27/33/25/332273325.db2.gz NVQLWIJULFTLOG-AWEZNQCLSA-N -1 3 293.366 3.077 20 30 CGEDHM CCc1cccc(C(=O)N2CCC(CCC#N)CC2)c1[O-] ZINC000568987797 334849821 /nfs/dbraw/zinc/84/98/21/334849821.db2.gz KYGIVEWCOGYJNY-UHFFFAOYSA-N -1 3 286.375 3.111 20 30 CGEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000336851783 335121401 /nfs/dbraw/zinc/12/14/01/335121401.db2.gz CCBFGKLXRYNHNR-KRWDZBQOSA-N -1 3 297.354 3.167 20 30 CGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000522576760 333290868 /nfs/dbraw/zinc/29/08/68/333290868.db2.gz BYQZNMHMURBXEN-QMMMGPOBSA-N -1 3 294.203 3.236 20 30 CGEDHM Cc1ccc2cc(C([O-])=C(C#N)c3ccccn3)ccc2n1 ZINC000136538052 334157234 /nfs/dbraw/zinc/15/72/34/334157234.db2.gz HHTRQLHFWGNTJY-HNNXBMFYSA-N -1 3 287.322 3.428 20 30 CGEDHM C=CCCOCCCCC(=O)Nc1c(C)cccc1[O-] ZINC000352642315 527336996 /nfs/dbraw/zinc/33/69/96/527336996.db2.gz DUHTVOMGDGLADG-UHFFFAOYSA-N -1 3 277.364 3.402 20 30 CGEDHM CCCC1(CNC(=O)c2csc(=O)[n-]2)CCC1 ZINC000329984852 528036389 /nfs/dbraw/zinc/03/63/89/528036389.db2.gz QPGHDPWAJFOCSX-UHFFFAOYSA-N -1 3 254.355 3.124 20 30 CGEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000355098237 528081723 /nfs/dbraw/zinc/08/17/23/528081723.db2.gz LQHNIFYAALPBLZ-CYBMUJFWSA-N -1 3 265.316 3.090 20 30 CGEDHM CC[C@H](C)n1nc(C([O-])=C(C#N)c2ccccn2)cc1C ZINC000350917748 529286813 /nfs/dbraw/zinc/28/68/13/529286813.db2.gz KBXZJVOAFLDIMK-WCQYABFASA-N -1 3 282.347 3.048 20 30 CGEDHM Cc1ccc([O-])c(C=NNc2cccc3ncccc32)n1 ZINC000728780982 571820747 /nfs/dbraw/zinc/82/07/47/571820747.db2.gz HRXMTQNZWNZNPE-UHFFFAOYSA-N -1 3 278.315 3.090 20 30 CGEDHM CC(=NNCCCc1ccccc1)c1ccc([O-])cc1F ZINC000729933281 571937355 /nfs/dbraw/zinc/93/73/55/571937355.db2.gz WIIYKJJYDBYJJG-UHFFFAOYSA-N -1 3 286.350 3.478 20 30 CGEDHM N#CCCCCOC(=O)c1cccc(Br)c1[O-] ZINC000730363327 572346498 /nfs/dbraw/zinc/34/64/98/572346498.db2.gz AUXWQLYLSLORRC-UHFFFAOYSA-N -1 3 298.136 3.005 20 30 CGEDHM N#Cc1cccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000739134135 572402872 /nfs/dbraw/zinc/40/28/72/572402872.db2.gz WFHHCTVMKMTFEB-KRWDZBQOSA-N -1 3 294.354 3.254 20 30 CGEDHM Cc1cc(N=NC(C)c2ccc3ccccc3c2[O-])ncn1 ZINC000731935647 572439025 /nfs/dbraw/zinc/43/90/25/572439025.db2.gz KECARNMKMUWYKL-UHFFFAOYSA-N -1 3 292.342 3.480 20 30 CGEDHM CCC(CC)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000726366167 572574053 /nfs/dbraw/zinc/57/40/53/572574053.db2.gz RBWGJIHUJQJKHG-OAHLLOKOSA-N -1 3 283.371 3.432 20 30 CGEDHM CCOc1ccc(C=Nc2ccc3c(c2)CC(=O)N3)c([O-])c1 ZINC000733749994 572601093 /nfs/dbraw/zinc/60/10/93/572601093.db2.gz HYOCCAWGKUNIIU-UHFFFAOYSA-N -1 3 296.326 3.036 20 30 CGEDHM COc1cccc([O-])c1/C=N\CC(C1CC1)C1CC1 ZINC000743043796 572635971 /nfs/dbraw/zinc/63/59/71/572635971.db2.gz ADCXLUYFYRHZEJ-YVLHZVERSA-N -1 3 259.349 3.256 20 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20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(C(C)(C)C)oc1C ZINC000900036965 620750604 /nfs/dbraw/zinc/75/06/04/620750604.db2.gz CXMLMWLRXZNETB-ZDUSSCGKSA-N -1 3 279.380 3.395 20 30 CGEDHM O=C(N([O-])Cc1ccc(F)cc1)C1(c2ccccc2)CC1 ZINC000900095310 620761299 /nfs/dbraw/zinc/76/12/99/620761299.db2.gz YDWLVXHFYSGJFA-UHFFFAOYSA-N -1 3 285.318 3.275 20 30 CGEDHM Cc1nc(C2CC2)oc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900094148 620761313 /nfs/dbraw/zinc/76/13/13/620761313.db2.gz HOKBVWLVIATIBY-UHFFFAOYSA-N -1 3 290.294 3.031 20 30 CGEDHM CCN(Cc1cccc(Br)c1[O-])C[C@@H](C)C#N ZINC000091983493 618539083 /nfs/dbraw/zinc/53/90/83/618539083.db2.gz GABIZYUVITZAEQ-JTQLQIEISA-N -1 3 297.196 3.136 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2cccc(Cl)c2F)c1O ZINC000255684513 618777178 /nfs/dbraw/zinc/77/71/78/618777178.db2.gz MSIMPEXXUJCKQA-UHFFFAOYSA-N -1 3 281.670 3.347 20 30 CGEDHM Cc1cc([O-])c(CN[C@H](CC#N)C(F)(F)F)cc1Cl ZINC000896696814 620048213 /nfs/dbraw/zinc/04/82/13/620048213.db2.gz NLUXIYJNBYNHDW-LLVKDONJSA-N -1 3 292.688 3.288 20 30 CGEDHM CCCCCCCCCC(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898264848 620501386 /nfs/dbraw/zinc/50/13/86/620501386.db2.gz DGSIYGGUFJBXSG-UHFFFAOYSA-N -1 3 293.411 3.248 20 30 CGEDHM O=C(c1cc(F)ccc1F)N([O-])Cc1ccc(F)cc1 ZINC000901375596 620868275 /nfs/dbraw/zinc/86/82/75/620868275.db2.gz HNAPTAMIADWWNN-UHFFFAOYSA-N -1 3 281.233 3.136 20 30 CGEDHM C=CCN(C)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902097136 621147068 /nfs/dbraw/zinc/14/70/68/621147068.db2.gz XGMRYYYYQKJUDM-UHFFFAOYSA-N -1 3 273.254 3.021 20 30 CGEDHM CSCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171118 621883825 /nfs/dbraw/zinc/88/38/25/621883825.db2.gz RWRUYEQPONTVOY-UHFFFAOYSA-N -1 3 275.373 3.311 20 30 CGEDHM O=C(CC1(O)CCCC1)N([O-])Cc1cccc2ccccc21 ZINC000904172089 621884364 /nfs/dbraw/zinc/88/43/64/621884364.db2.gz YXEDXQXJHADYDO-UHFFFAOYSA-N -1 3 299.370 3.253 20 30 CGEDHM C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC=CCC1 ZINC000904177516 621885573 /nfs/dbraw/zinc/88/55/73/621885573.db2.gz FWRVEALMUOVQPE-OAHLLOKOSA-N -1 3 263.312 3.290 20 30 CGEDHM CC(C)n1nccc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904190796 621886772 /nfs/dbraw/zinc/88/67/72/621886772.db2.gz QCTJTJHWWBVTNX-UHFFFAOYSA-N -1 3 293.754 3.149 20 30 CGEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000904192156 621887448 /nfs/dbraw/zinc/88/74/48/621887448.db2.gz BZXDMAKPRBZNGT-BXUZGUMPSA-N -1 3 297.782 3.263 20 30 CGEDHM N#CC1(CCCCOC(=O)c2ccc([O-])cc2)CCC1 ZINC000908700707 622367620 /nfs/dbraw/zinc/36/76/20/622367620.db2.gz PLBUAZQDNWBDIE-UHFFFAOYSA-N -1 3 273.332 3.413 20 30 CGEDHM N#Cc1ccc(CNN=Cc2c([O-])cccc2Cl)cc1 ZINC000755802181 626648228 /nfs/dbraw/zinc/64/82/28/626648228.db2.gz LJMPYWQSHNMNCL-UHFFFAOYSA-N -1 3 285.734 3.041 20 30 CGEDHM C[C@H]1CC(=NO[C@@H]2CCCCO2)c2c1c(F)ccc2[O-] ZINC000755818266 626650029 /nfs/dbraw/zinc/65/00/29/626650029.db2.gz BOOBZTYZFXHPQA-TVQRCGJNSA-N -1 3 279.311 3.286 20 30 CGEDHM CC(C)CN(CCC#N)Cc1cccc(Cl)c1[O-] ZINC000775643090 628118156 /nfs/dbraw/zinc/11/81/56/628118156.db2.gz LPXBPZZKHMFQLV-UHFFFAOYSA-N -1 3 266.772 3.417 20 30 CGEDHM CCc1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1C ZINC000777873778 628305785 /nfs/dbraw/zinc/30/57/85/628305785.db2.gz RQWDJRJCFSHNMJ-UHFFFAOYSA-N -1 3 284.359 3.209 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCC=CO1 ZINC000780150516 628457721 /nfs/dbraw/zinc/45/77/21/628457721.db2.gz VTRPDKNIBYZGGW-IYVNWDGISA-N -1 3 251.713 3.157 20 30 CGEDHM Cc1cc(Br)c([O-])c(CN(C)[C@H](C)CC#N)c1 ZINC000781908306 628604039 /nfs/dbraw/zinc/60/40/39/628604039.db2.gz JHXPSIMXISGODW-SNVBAGLBSA-N -1 3 297.196 3.197 20 30 CGEDHM N#CCOc1ccc(COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786034014 628909581 /nfs/dbraw/zinc/90/95/81/628909581.db2.gz WAQJXGCYJIBHRO-UHFFFAOYSA-N -1 3 296.282 3.020 20 30 CGEDHM CCOC(CC/N=C\c1cc(Cl)ccc1[O-])OCC ZINC000787139811 628995560 /nfs/dbraw/zinc/99/55/60/628995560.db2.gz BYRLQZPRVVADRV-YBEGLDIGSA-N -1 3 285.771 3.254 20 30 CGEDHM CCN(Cc1c([O-])cccc1Br)C[C@@H](C)C#N ZINC000862227978 629326070 /nfs/dbraw/zinc/32/60/70/629326070.db2.gz KDVOREJJZZSLNW-JTQLQIEISA-N -1 3 297.196 3.136 20 30 CGEDHM C=CCN(CCC#N)Cc1c([O-])cccc1Br ZINC000862376207 629357338 /nfs/dbraw/zinc/35/73/38/629357338.db2.gz VVWOCXDBEZDOCX-UHFFFAOYSA-N -1 3 295.180 3.056 20 30 CGEDHM CC[C@H](C)CON=C1CCc2c1ccc([O-])c2F ZINC000793147022 629416892 /nfs/dbraw/zinc/41/68/92/629416892.db2.gz XMPURTAXXFEXBG-VIFPVBQESA-N -1 3 251.301 3.244 20 30 CGEDHM CCOC1CC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125438 629480553 /nfs/dbraw/zinc/48/05/53/629480553.db2.gz VZLUCSBGAWHBHJ-UHFFFAOYSA-N -1 3 288.376 3.259 20 30 CGEDHM N#CC[C@H](CC(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000793771246 629501090 /nfs/dbraw/zinc/50/10/90/629501090.db2.gz GCWPOAPOMYBIBB-CQSZACIVSA-N -1 3 272.348 3.064 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CC[C@H]1CCCOC1 ZINC000864344834 629813705 /nfs/dbraw/zinc/81/37/05/629813705.db2.gz HTUNFYMNZNVYJY-WIWNTQSISA-N -1 3 267.756 3.281 20 30 CGEDHM CCO[C@@]1(C)C[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000864346040 629814912 /nfs/dbraw/zinc/81/49/12/629814912.db2.gz MODKAZWWCVWOLW-DVTVXSLWSA-N -1 3 298.180 3.141 20 30 CGEDHM CCC(CC)c1nnc([N-]C(=O)c2coc(C#N)c2)s1 ZINC000864969323 629970850 /nfs/dbraw/zinc/97/08/50/629970850.db2.gz MOPWRBHOHHEVQL-UHFFFAOYSA-N -1 3 290.348 3.159 20 30 CGEDHM C[C@H](C#N)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810634835 630913571 /nfs/dbraw/zinc/91/35/71/630913571.db2.gz ODDHBRQQHZGFCS-ZCFIWIBFSA-N -1 3 268.725 3.199 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc3ccccc3o2)c1 ZINC000811188525 631041924 /nfs/dbraw/zinc/04/19/24/631041924.db2.gz MXGNDBDRVOOEOX-UHFFFAOYSA-N -1 3 293.278 3.367 20 30 CGEDHM COc1cccc([C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811186871 631042367 /nfs/dbraw/zinc/04/23/67/631042367.db2.gz BPSVSEPMTQJOIA-NSHDSACASA-N -1 3 297.310 3.190 20 30 CGEDHM C=CCO[N-]C(=O)CCC(=O)c1ccc(CC(C)C)cc1 ZINC000837044993 634847123 /nfs/dbraw/zinc/84/71/23/634847123.db2.gz UKYDAIOZVBQMQV-UHFFFAOYSA-N -1 3 289.375 3.082 20 30 CGEDHM CCOc1cc(C=NOCC2CC2)cc(Cl)c1[O-] ZINC000814244806 631558539 /nfs/dbraw/zinc/55/85/39/631558539.db2.gz JPZWWMANIFWMDR-UHFFFAOYSA-N -1 3 269.728 3.205 20 30 CGEDHM CN(Cc1cc(Cl)c(F)cc1[O-])CC(C)(C)C#N ZINC000816632527 632028572 /nfs/dbraw/zinc/02/85/72/632028572.db2.gz MPHPENJOMXTSIT-UHFFFAOYSA-N -1 3 270.735 3.166 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc3oncc3c2)ccc1[O-] ZINC000821032058 632715131 /nfs/dbraw/zinc/71/51/31/632715131.db2.gz QIJOXQNCZQWHCI-DJWKRKHSSA-N -1 3 295.294 3.438 20 30 CGEDHM CCc1cnc(CN[C@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866274815 633058426 /nfs/dbraw/zinc/05/84/26/633058426.db2.gz UIHWBKZWNQVWBL-SNVBAGLBSA-N -1 3 287.388 3.134 20 30 CGEDHM Cc1cc([O-])c(CN(C)[C@@H](C)CC#N)cc1Cl ZINC000824714636 633277667 /nfs/dbraw/zinc/27/76/67/633277667.db2.gz SUESHKGFIWRLOF-JTQLQIEISA-N -1 3 252.745 3.088 20 30 CGEDHM Cc1cc([O-])c(CN2CC[C@](C)(C#N)C2)cc1Cl ZINC000827650365 633507229 /nfs/dbraw/zinc/50/72/29/633507229.db2.gz PSRPIKYIFJEREX-CQSZACIVSA-N -1 3 264.756 3.090 20 30 CGEDHM Cc1cc([O-])c(C=NO[C@@H]2CCCCO2)c(Cl)c1 ZINC000841630738 635201797 /nfs/dbraw/zinc/20/17/97/635201797.db2.gz CBXUVIYXWAARRW-CYBMUJFWSA-N -1 3 269.728 3.231 20 30 CGEDHM N#CC(=C([O-])C=CC1CCCCCC1)c1ccncn1 ZINC000845512900 636042773 /nfs/dbraw/zinc/04/27/73/636042773.db2.gz DYFDYEPXHLALDP-WBTMPAOCSA-N -1 3 269.348 3.179 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000846545962 636197955 /nfs/dbraw/zinc/19/79/55/636197955.db2.gz QZVHZAZTFOHFAV-CHWSQXEVSA-N -1 3 261.365 3.365 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000846547703 636199045 /nfs/dbraw/zinc/19/90/45/636199045.db2.gz QEUBWVYJBIGXNT-LBPRGKRZSA-N -1 3 272.348 3.031 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCCc1ccc(C)cc1 ZINC000846550161 636200267 /nfs/dbraw/zinc/20/02/67/636200267.db2.gz LGMQYIZRGVXHIX-CQSZACIVSA-N -1 3 261.365 3.330 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(Cl)c1Cl ZINC000846555717 636202027 /nfs/dbraw/zinc/20/20/27/636202027.db2.gz UVHAVLGNAMAYAG-QMMMGPOBSA-N -1 3 274.147 3.158 20 30 CGEDHM Cn1ncc(C2CC2)c1C/N=C/c1cc(Cl)ccc1[O-] ZINC000849172601 636764735 /nfs/dbraw/zinc/76/47/35/636764735.db2.gz VTFPRWPZDSIWSV-REZTVBANSA-N -1 3 289.766 3.276 20 30 CGEDHM CC(C)c1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000850948582 637197701 /nfs/dbraw/zinc/19/77/01/637197701.db2.gz UGDJCASOZYNROM-AWEZNQCLSA-N -1 3 265.316 3.090 20 30 CGEDHM C[C@H]1CCCCN1N=Cc1c([O-])cccc1Cl ZINC000853378750 637827907 /nfs/dbraw/zinc/82/79/07/637827907.db2.gz CDIWMITXMOIWJS-JTQLQIEISA-N -1 3 252.745 3.254 20 30 CGEDHM CC[C@H](C/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000005111187 638231899 /nfs/dbraw/zinc/23/18/99/638231899.db2.gz KRYUGVVMCWFZTL-HIPSJFSSSA-N -1 3 298.386 3.201 20 30 CGEDHM CC[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000005111185 638232049 /nfs/dbraw/zinc/23/20/49/638232049.db2.gz KRYUGVVMCWFZTL-YRIIZNAFSA-N -1 3 298.386 3.201 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000856031048 638287239 /nfs/dbraw/zinc/28/72/39/638287239.db2.gz CGXFVAGJHDCLKU-HNNXBMFYSA-N -1 3 261.365 3.440 20 30 CGEDHM C=CCCO[N-]C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000856035115 638290002 /nfs/dbraw/zinc/29/00/02/638290002.db2.gz 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813543276 /nfs/dbraw/zinc/54/32/76/813543276.db2.gz OPVFKXCFBDJVJS-ZDUSSCGKSA-N -1 3 297.782 3.033 20 30 CGEDHM Cc1ccc(CO)cc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001242669142 823091672 /nfs/dbraw/zinc/09/16/72/823091672.db2.gz IFUGCHHJTYIXDD-CAOOACKPSA-N -1 3 259.280 3.102 20 30 CGEDHM [O-]N=Cc1ccccc1-c1ccccc1-n1cccn1 ZINC001242712832 823109219 /nfs/dbraw/zinc/10/92/19/823109219.db2.gz IGJUDNSOTCJGFC-UHFFFAOYSA-N -1 3 263.300 3.347 20 30 CGEDHM Cc1cc(C#N)cc([N-]c2noc(C(C)(C)C)n2)c1 ZINC001210388191 814438398 /nfs/dbraw/zinc/43/83/98/814438398.db2.gz VVOBDXFHMGPIFE-UHFFFAOYSA-N -1 3 256.309 3.291 20 30 CGEDHM COCOc1ccc(Nc2cc(C#N)ccc2[O-])c(C)c1 ZINC001210493258 814488573 /nfs/dbraw/zinc/48/85/73/814488573.db2.gz QYXFLXWAVVHXPX-UHFFFAOYSA-N -1 3 284.315 3.299 20 30 CGEDHM Cc1cc(=O)c(C#N)c(OC2CC(C)(C)OC(C)(C)C2)[n-]1 ZINC001225470752 817063686 /nfs/dbraw/zinc/06/36/86/817063686.db2.gz ZVVOWQIOSHJCTN-UHFFFAOYSA-N -1 3 290.363 3.082 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccccc2[N+](=O)[O-])[n-]1 ZINC001225469894 817064173 /nfs/dbraw/zinc/06/41/73/817064173.db2.gz POSWBLIROCQMLI-JTQLQIEISA-N -1 3 299.286 3.016 20 30 CGEDHM CC#CC[C@H](CC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850332 817196911 /nfs/dbraw/zinc/19/69/11/817196911.db2.gz JKHNJGIKERAUIC-QMMMGPOBSA-N -1 3 290.310 3.355 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc[n-]c(=O)c2C)C1 ZINC001226072098 817264861 /nfs/dbraw/zinc/26/48/61/817264861.db2.gz YFKSXUPYHKXQQW-QWHCGFSZSA-N -1 3 260.337 3.170 20 30 CGEDHM C=CCOc1ccccc1[C@H](C)Oc1nc[n-]c(=O)c1C ZINC001226076149 817265961 /nfs/dbraw/zinc/26/59/61/817265961.db2.gz LVASOKRAMCFFOA-LBPRGKRZSA-N -1 3 286.331 3.195 20 30 CGEDHM C[C@H](COC(C)(C)C)Oc1cccc(/C=N/[O-])c1 ZINC001226110726 817275338 /nfs/dbraw/zinc/27/53/38/817275338.db2.gz VAIABJBZFOOAEL-BTAWCLGRSA-N -1 3 251.326 3.077 20 30 CGEDHM [O-]/N=C/c1ccnc(O[C@H]2Cc3cccc4cccc2c34)n1 ZINC001226253139 817312456 /nfs/dbraw/zinc/31/24/56/817312456.db2.gz FGVAWXWRLKGOAH-RPJLVFAOSA-N -1 3 291.310 3.114 20 30 CGEDHM N#C[C@H](Oc1[n-]c(=O)nc2ccccc21)c1ccccc1F ZINC001226980228 817524235 /nfs/dbraw/zinc/52/42/35/817524235.db2.gz FHUJZYQLNUIEQR-AWEZNQCLSA-N -1 3 295.273 3.118 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H]2CCC(=O)c3ccccc32)c1 ZINC001227345556 817628806 /nfs/dbraw/zinc/62/88/06/817628806.db2.gz NUIHIPDIHJNXNS-MRXNPFEDSA-N -1 3 279.295 3.360 20 30 CGEDHM CC(C)Oc1cc(COc2cc(C#N)ccc2[O-])ccn1 ZINC001227352652 817631449 /nfs/dbraw/zinc/63/14/49/817631449.db2.gz MKSWUEUDVVKHLG-UHFFFAOYSA-N -1 3 284.315 3.025 20 30 CGEDHM C#C[C@H](Oc1c([O-])cc(Br)cc1F)C(C)C ZINC001227591520 817677623 /nfs/dbraw/zinc/67/76/23/817677623.db2.gz WQPDTWNZNGDLEU-NSHDSACASA-N -1 3 287.128 3.330 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1ncc(Cl)cc1[O-] ZINC001227982309 817772531 /nfs/dbraw/zinc/77/25/31/817772531.db2.gz BGSVTKNKCSFILY-ZETCQYMHSA-N -1 3 261.774 3.306 20 30 CGEDHM C#CC[C@@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228155499 817826598 /nfs/dbraw/zinc/82/65/98/817826598.db2.gz TZSFMQPGJOXTCO-CYBMUJFWSA-N -1 3 280.323 3.414 20 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/nfs/dbraw/zinc/89/04/02/822890402.db2.gz OGMPTCKTODMZFM-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3ccc(OC(F)F)nc3)ccc21 ZINC001242421812 822988704 /nfs/dbraw/zinc/98/87/04/822988704.db2.gz VLNYCXXVDMHZKA-UYRXBGFRSA-N -1 3 290.269 3.475 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cccc4c3OCCO4)ccc21 ZINC001242471808 823004057 /nfs/dbraw/zinc/00/40/57/823004057.db2.gz VRZZACMUWOGSNN-SDXDJHTJSA-N -1 3 281.311 3.249 20 30 CGEDHM CC(C)c1nc(C(=O)N([O-])Cc2ccccc2Cl)c[nH]1 ZINC001353962974 937084954 /nfs/dbraw/zinc/08/49/54/937084954.db2.gz JZHBEJLAKWUSIL-UHFFFAOYSA-N -1 3 293.754 3.218 20 30 CGEDHM CCCCCCCCCC(=O)Nc1ccncc1[O-] ZINC001457614304 937444008 /nfs/dbraw/zinc/44/40/08/937444008.db2.gz JCBJCVSXIONEMD-UHFFFAOYSA-N -1 3 264.369 3.288 20 30 CGEDHM CC(C)(C)CC(=O)N([O-])Cc1ccccc1Cl ZINC001458004796 937448315 /nfs/dbraw/zinc/44/83/15/937448315.db2.gz YYAOQNNJGHBIFV-UHFFFAOYSA-N -1 3 255.745 3.494 20 30 CGEDHM O=C([C@@H]1CC12CCC2)N([O-])CCCCc1ccccc1 ZINC001458007263 937448818 /nfs/dbraw/zinc/44/88/18/937448818.db2.gz HPIZBGDFLXOQLR-HNNXBMFYSA-N -1 3 273.376 3.417 20 30 CGEDHM C=CC[C@@H](C=C)Oc1ncc(Br)cc1[O-] ZINC001228954177 932058206 /nfs/dbraw/zinc/05/82/06/932058206.db2.gz AUHBHTCBVUYLMT-SECBINFHSA-N -1 3 270.126 3.059 20 30 CGEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C)CS ZINC001228960138 932060329 /nfs/dbraw/zinc/06/03/29/932060329.db2.gz VWLILJUYUSBTGY-VIFPVBQESA-N -1 3 268.378 3.415 20 30 CGEDHM CO[C@H]1CCCC[C@@H]1Oc1ccccc1/C(C)=N/[O-] ZINC001229738288 932477385 /nfs/dbraw/zinc/47/73/85/932477385.db2.gz ISGOTRGMHNJBBQ-SLBRECRISA-N -1 3 263.337 3.221 20 30 CGEDHM CCCCN([O-])C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC001306897659 932890912 /nfs/dbraw/zinc/89/09/12/932890912.db2.gz WTDUKMJDCIEBBA-UHFFFAOYSA-N -1 3 295.408 3.390 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1nc(C)sc1C ZINC001306896734 932893147 /nfs/dbraw/zinc/89/31/47/932893147.db2.gz KPODFALNNAFHIT-UHFFFAOYSA-N -1 3 270.398 3.101 20 30 CGEDHM CCCCCCN([O-])C(=O)c1sc(C)cc1OC ZINC001306896891 932893556 /nfs/dbraw/zinc/89/35/56/932893556.db2.gz QEPIUSBIIMUAAF-UHFFFAOYSA-N -1 3 271.382 3.477 20 30 CGEDHM C#Cc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC001308411002 933107978 /nfs/dbraw/zinc/10/79/78/933107978.db2.gz INCBUWZICXYBPO-UHFFFAOYSA-N -1 3 271.747 3.317 20 30 CGEDHM Cc1cccc(NC(=O)c2[nH]c3ccccc3c2C#N)c1[O-] ZINC001466539638 937710457 /nfs/dbraw/zinc/71/04/57/937710457.db2.gz GJCDBTUNACZUNH-UHFFFAOYSA-N -1 3 291.310 3.306 20 30 CGEDHM CCCCN([O-])C(=O)CCC(=O)c1cc(C)ccc1C ZINC001472621315 937778255 /nfs/dbraw/zinc/77/82/55/937778255.db2.gz PIBWGRIFBAORPM-UHFFFAOYSA-N -1 3 277.364 3.284 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC001472620641 937778263 /nfs/dbraw/zinc/77/82/63/937778263.db2.gz JVDOJDJOOBVTOI-LBPRGKRZSA-N -1 3 274.364 3.300 20 30 CGEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001472620332 937778293 /nfs/dbraw/zinc/77/82/93/937778293.db2.gz XYDZXZYUXNXJOS-KZWBYHQPSA-N -1 3 297.782 3.117 20 30 CGEDHM CCCCN([O-])C(=O)c1cc(-c2cccs2)on1 ZINC001472620742 937778456 /nfs/dbraw/zinc/77/84/56/937778456.db2.gz PBITWYCKUQWXDS-UHFFFAOYSA-N -1 3 266.322 3.035 20 30 CGEDHM CCO[C@H](C(=O)N([O-])CCCCc1ccccc1)C(C)C ZINC001559034052 938219093 /nfs/dbraw/zinc/21/90/93/938219093.db2.gz KTTSXOWJXIDTIT-INIZCTEOSA-N -1 3 293.407 3.288 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ccc2cnccc2n1 ZINC001559034654 938219205 /nfs/dbraw/zinc/21/92/05/938219205.db2.gz JZYXMWNRICFQHP-UHFFFAOYSA-N -1 3 273.336 3.042 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001559035652 938219322 /nfs/dbraw/zinc/21/93/22/938219322.db2.gz ZZLCYPPDKBXLCJ-UONOGXRCSA-N -1 3 269.385 3.132 20 30 CGEDHM CCCCN([O-])C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC001559035464 938219365 /nfs/dbraw/zinc/21/93/65/938219365.db2.gz RGSBGUZPVOABPQ-UHFFFAOYSA-N -1 3 289.375 3.156 20 30 CGEDHM C=CCN(Cc1cc(C)c(C(=O)[O-])o1)C(C)(C)C ZINC000382472260 971815339 /nfs/dbraw/zinc/81/53/39/971815339.db2.gz CWVGPWWCEDIWSB-UHFFFAOYSA-N -1 3 251.326 3.073 20 30 CGEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(Cl)c2[O-])C1 ZINC001583565916 962824040 /nfs/dbraw/zinc/82/40/40/962824040.db2.gz ODGMMNVGITZXJR-ZJUUUORDSA-N -1 3 279.723 3.285 20 30 CGEDHM C=C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000304195138 963123074 /nfs/dbraw/zinc/12/30/74/963123074.db2.gz ASMZYWBTHYEWKG-HQJQHLMTSA-N -1 3 274.147 3.283 20 30 CGEDHM C#C[C@@H](N[C@@H](C)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1 ZINC001588378273 963270280 /nfs/dbraw/zinc/27/02/80/963270280.db2.gz WIFOLXYFHGIIOZ-SWLSCSKDSA-N -1 3 291.366 3.369 20 30 CGEDHM C=CC[C@H](NCc1csc(C(=O)[O-])c1)c1ccncc1 ZINC001588749085 963309521 /nfs/dbraw/zinc/30/95/21/963309521.db2.gz FQVMLHCBFSCQRP-ZDUSSCGKSA-N -1 3 288.372 3.248 20 30 CGEDHM C=CC[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccncc1 ZINC001588746277 963311880 /nfs/dbraw/zinc/31/18/80/963311880.db2.gz RABSFQWDOSXRMT-MLGOLLRUSA-N -1 3 297.358 3.143 20 30 CGEDHM CC[C@@H]1CC[C@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001597296369 987396115 /nfs/dbraw/zinc/39/61/15/987396115.db2.gz PMZYRXXUEBTOBT-QWHCGFSZSA-N -1 3 286.375 3.267 20 30 CGEDHM C[C@H](NCc1ccsc1C(=O)[O-])c1cccc(C#N)c1 ZINC001593310150 994771231 /nfs/dbraw/zinc/77/12/31/994771231.db2.gz HAJIGWICQLIQCP-JTQLQIEISA-N -1 3 286.356 3.169 20 30 CGEDHM C[C@H](C#N)CN(C)Cc1c([O-])ccc2ccccc21 ZINC000068870783 345366899 /nfs/dbraw/zinc/36/68/99/345366899.db2.gz OWYSYBKPZPAZMH-GFCCVEGCSA-N -1 3 254.333 3.137 20 30 CGEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)co1 ZINC000588813725 346769526 /nfs/dbraw/zinc/76/95/26/346769526.db2.gz GXORRVIETXXWBP-UHFFFAOYSA-N -1 3 287.344 3.047 20 30 CGEDHM CC(C)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)c([O-])c1 ZINC000597902678 347602616 /nfs/dbraw/zinc/60/26/16/347602616.db2.gz CAUFWELOLZIPLJ-CYBMUJFWSA-N -1 3 286.375 3.281 20 30 CGEDHM Cc1nocc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000602346176 347949566 /nfs/dbraw/zinc/94/95/66/347949566.db2.gz FAQWRUDWIMEOHG-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM Cc1cccc(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC000613291130 348586073 /nfs/dbraw/zinc/58/60/73/348586073.db2.gz UPQRLPGSCJPVGQ-AWEZNQCLSA-N -1 3 287.322 3.428 20 30 CGEDHM CCc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000615767040 348764305 /nfs/dbraw/zinc/76/43/05/348764305.db2.gz RJZCZBXMFRAQPH-GFCCVEGCSA-N -1 3 294.354 3.317 20 30 CGEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000617781965 349010647 /nfs/dbraw/zinc/01/06/47/349010647.db2.gz WFWBYCZPTAXKQQ-CQSZACIVSA-N -1 3 273.376 3.437 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000617787311 349012857 /nfs/dbraw/zinc/01/28/57/349012857.db2.gz LQLOXKJRPVKQDN-ZDUSSCGKSA-N -1 3 259.349 3.129 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c(CC)c1 ZINC000620303333 349353008 /nfs/dbraw/zinc/35/30/08/349353008.db2.gz NVENFBHPFUQCGV-GASCZTMLSA-N -1 3 271.360 3.278 20 30 CGEDHM C=CCCC(C)(C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000633963711 351406544 /nfs/dbraw/zinc/40/65/44/351406544.db2.gz PZQSIORXVORTQR-UHFFFAOYSA-N -1 3 298.386 3.250 20 30 CGEDHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)c1cccc(C#N)c1 ZINC000436625780 237145042 /nfs/dbraw/zinc/14/50/42/237145042.db2.gz PNGGHLZYBRIWML-NSHDSACASA-N -1 3 291.310 3.466 20 30 CGEDHM CC(C)c1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000122396335 370905342 /nfs/dbraw/zinc/90/53/42/370905342.db2.gz MWUXWCDBVYXJIK-JTQLQIEISA-N -1 3 271.345 3.152 20 30 CGEDHM N#Cc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)cc1 ZINC000493589883 244193716 /nfs/dbraw/zinc/19/37/16/244193716.db2.gz TVDWPPJAYBLZTC-HJWRWDBZSA-N -1 3 282.274 3.055 20 30 CGEDHM Cc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c([O-])c1 ZINC000433132352 372581799 /nfs/dbraw/zinc/58/17/99/372581799.db2.gz XAUISIYHAYQRHN-OAHLLOKOSA-N -1 3 294.354 3.412 20 30 CGEDHM C=CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000447927546 373523986 /nfs/dbraw/zinc/52/39/86/373523986.db2.gz BLCBKHYXJDPLEW-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM CC(C)Oc1ccc(NC(=O)c2cccc([O-])c2)cc1C#N ZINC000182850400 374335744 /nfs/dbraw/zinc/33/57/44/374335744.db2.gz KMGUVKBWTOTLQP-UHFFFAOYSA-N -1 3 296.326 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C=CCN(CC=C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184783062 262299097 /nfs/dbraw/zinc/29/90/97/262299097.db2.gz CBTXQZDDHOBHDL-UHFFFAOYSA-N -1 3 271.360 3.085 20 30 CGEDHM CCOc1cc(-c2noc([C@](C)(C#N)CC)n2)ccc1[O-] ZINC000289146461 263107844 /nfs/dbraw/zinc/10/78/44/263107844.db2.gz NAJZCTJMAVGSAT-HNNXBMFYSA-N -1 3 287.319 3.032 20 30 CGEDHM N#CC[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000295603228 263180343 /nfs/dbraw/zinc/18/03/43/263180343.db2.gz SSMWWXOPZIOXMV-JSGCOSHPSA-N -1 3 298.386 3.083 20 30 CGEDHM Cc1ccc2c(c1)CC[C@@H]2/N=C/c1c([O-])c(C)ncc1CO ZINC000299175902 263233439 /nfs/dbraw/zinc/23/34/39/263233439.db2.gz WYASHYHNFIGRQC-WZIKDTQPSA-N -1 3 296.370 3.003 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000120281325 263285097 /nfs/dbraw/zinc/28/50/97/263285097.db2.gz WELAUWWKQAPMNE-UHFFFAOYSA-N -1 3 292.360 3.023 20 30 CGEDHM CC(C)(C)n1cnc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000330541352 263971549 /nfs/dbraw/zinc/97/15/49/263971549.db2.gz AFOQHOOCTNYINB-UHFFFAOYSA-N -1 3 294.742 3.028 20 30 CGEDHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])C1CCOCC1 ZINC000331229916 264152078 /nfs/dbraw/zinc/15/20/78/264152078.db2.gz GZTDTVLFEKRGHA-CQSZACIVSA-N -1 3 277.364 3.210 20 30 CGEDHM COc1cccc(C(=O)NCC2CCC(C#N)CC2)c1[O-] ZINC000331303749 264200584 /nfs/dbraw/zinc/20/05/84/264200584.db2.gz QODIVQQLBGGLCC-UHFFFAOYSA-N -1 3 288.347 3.035 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000161513922 264288368 /nfs/dbraw/zinc/28/83/68/264288368.db2.gz AOPOHYRDBDDASV-UHFFFAOYSA-N -1 3 284.359 3.287 20 30 CGEDHM Cc1cc(C#N)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000227793663 267305727 /nfs/dbraw/zinc/30/57/27/267305727.db2.gz WKFYYHNSWXHHFD-UHFFFAOYSA-N -1 3 277.283 3.289 20 30 CGEDHM CCCN(CC#N)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290565398 328259376 /nfs/dbraw/zinc/25/93/76/328259376.db2.gz XZIZAENTEMCFLZ-UHFFFAOYSA-N -1 3 272.270 3.147 20 30 CGEDHM CC(C)N(Cc1ccc(C#N)cc1)Cc1ncccc1[O-] ZINC000570365803 322271684 /nfs/dbraw/zinc/27/16/84/322271684.db2.gz QXONXPUMVVBRJW-UHFFFAOYSA-N -1 3 281.359 3.069 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1C ZINC000177767613 329186724 /nfs/dbraw/zinc/18/67/24/329186724.db2.gz KFGVRQHUFRQYKO-LLVKDONJSA-N -1 3 287.388 3.404 20 30 CGEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000159333190 330846228 /nfs/dbraw/zinc/84/62/28/330846228.db2.gz PGLDXIIXAQMKDH-CYBMUJFWSA-N -1 3 286.718 3.040 20 30 CGEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000452041909 331051757 /nfs/dbraw/zinc/05/17/57/331051757.db2.gz NASDIQQUFIILRV-UHFFFAOYSA-N -1 3 299.339 3.011 20 30 CGEDHM C=CCCc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000453243809 331106612 /nfs/dbraw/zinc/10/66/12/331106612.db2.gz ZTXIKHXEMBJWDJ-UHFFFAOYSA-N -1 3 270.332 3.440 20 30 CGEDHM C=CCC1(CNC(=O)c2ccc([O-])c(OC)c2)CCCC1 ZINC000456491033 331194236 /nfs/dbraw/zinc/19/42/36/331194236.db2.gz YZMCQSOVSGUBRP-UHFFFAOYSA-N -1 3 289.375 3.267 20 30 CGEDHM CCN(Cc1cccc([O-])c1Br)C[C@H](C)C#N ZINC000459328119 331276315 /nfs/dbraw/zinc/27/63/15/331276315.db2.gz OJXPQWMJOUNQFX-SNVBAGLBSA-N -1 3 297.196 3.136 20 30 CGEDHM C=CCOc1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000185530017 333143084 /nfs/dbraw/zinc/14/30/84/333143084.db2.gz IEJCZLUVZIPCJR-UHFFFAOYSA-N -1 3 287.334 3.386 20 30 CGEDHM C=CCC(C)(C)CNCc1c(F)ccc([O-])c1F ZINC000552312149 334315622 /nfs/dbraw/zinc/31/56/22/334315622.db2.gz STIUGFUJZZGDQH-UHFFFAOYSA-N -1 3 255.308 3.362 20 30 CGEDHM C=C(C)CCc1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000347239719 526463658 /nfs/dbraw/zinc/46/36/58/526463658.db2.gz SYVNEPXOWLBGMO-UHFFFAOYSA-N -1 3 281.319 3.030 20 30 CGEDHM CC(C)(CCC#N)CNCc1c(F)ccc([O-])c1F ZINC000353533179 526999213 /nfs/dbraw/zinc/99/92/13/526999213.db2.gz XPYTWPKHUFUZHD-UHFFFAOYSA-N -1 3 268.307 3.090 20 30 CGEDHM C=CCC[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000350510690 527445464 /nfs/dbraw/zinc/44/54/64/527445464.db2.gz IFXQMEJCKWSANJ-GFCCVEGCSA-N -1 3 288.372 3.286 20 30 CGEDHM CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]c1nncn1C1CC1 ZINC000329112776 529291331 /nfs/dbraw/zinc/29/13/31/529291331.db2.gz KVTYYHGFIOLWMA-DGCLKSJQSA-N -1 3 292.383 3.186 20 30 CGEDHM Cc1ccc(NN=Cc2cc(Cl)ccc2[O-])nc1 ZINC000727263359 571736891 /nfs/dbraw/zinc/73/68/91/571736891.db2.gz ZNHNCFXLSJZSRM-UHFFFAOYSA-N -1 3 261.712 3.195 20 30 CGEDHM CN(C)c1ccc(/C=C\C(=O)c2cccc([O-])c2)cc1F ZINC000727653964 571761198 /nfs/dbraw/zinc/76/11/98/571761198.db2.gz DBKGNKJNQFBKNB-CLFYSBASSA-N -1 3 285.318 3.493 20 30 CGEDHM Cc1ncc(CO)c(C=Nc2cc(F)ccc2Cl)c1[O-] ZINC000727973229 571782190 /nfs/dbraw/zinc/78/21/90/571782190.db2.gz VMJCPYAQUAWMHP-UHFFFAOYSA-N -1 3 294.713 3.131 20 30 CGEDHM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc([O-])cc1F ZINC000729931710 571937225 /nfs/dbraw/zinc/93/72/25/571937225.db2.gz SOXXKGDEBRONBZ-UHFFFAOYSA-N -1 3 289.266 3.276 20 30 CGEDHM CCCOC(=O)CC/N=C\c1c([O-])ccc2ccccc21 ZINC000730147185 571951140 /nfs/dbraw/zinc/95/11/40/571951140.db2.gz MGDWOHWHKWQPPN-PDGQHHTCSA-N -1 3 285.343 3.308 20 30 CGEDHM N#CCOc1cccc(/C=C2/Cc3c(cccc3[O-])C2=O)c1 ZINC000730150947 571951759 /nfs/dbraw/zinc/95/17/59/571951759.db2.gz GNABMJSMJSYKRA-LCYFTJDESA-N -1 3 291.306 3.117 20 30 CGEDHM N#CCOc1cccc(/C=C2\Cc3c(cccc3[O-])C2=O)c1 ZINC000730150951 571951802 /nfs/dbraw/zinc/95/18/02/571951802.db2.gz GNABMJSMJSYKRA-UKTHLTGXSA-N -1 3 291.306 3.117 20 30 CGEDHM CCOc1ccc(/C=N/CCc2c(C)noc2C)c([O-])c1 ZINC000730434118 572353308 /nfs/dbraw/zinc/35/33/08/572353308.db2.gz GGRCWGCUQRIHEX-LICLKQGHSA-N -1 3 288.347 3.057 20 30 CGEDHM [O-]c1cccc(C=Nc2ccc3c(c2)OC(F)(F)O3)c1O ZINC000730547700 572362125 /nfs/dbraw/zinc/36/21/25/572362125.db2.gz ZVIQYKDQFGAUGL-UHFFFAOYSA-N -1 3 293.225 3.170 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1ccsc1 ZINC000739427213 572414221 /nfs/dbraw/zinc/41/42/21/572414221.db2.gz RDNODRIGCKPPPH-NOAOUHAHSA-N -1 3 281.764 3.260 20 30 CGEDHM Cc1c(C(=O)/C=C/c2ccc([O-])cc2)c(C#N)c2n1CCC2 ZINC000731937706 572439228 /nfs/dbraw/zinc/43/92/28/572439228.db2.gz KPMPSLMCMAEGJO-RMKNXTFCSA-N -1 3 292.338 3.216 20 30 CGEDHM [O-]c1ccccc1/C=N/C[C@H](O)c1c(F)cccc1Cl ZINC000741165002 572485882 /nfs/dbraw/zinc/48/58/82/572485882.db2.gz DCHHBNHLCSSDAZ-PVJNQWLSSA-N -1 3 293.725 3.337 20 30 CGEDHM COc1cccc([O-])c1C=NNc1cc(F)c(F)cc1F ZINC000734302769 572642153 /nfs/dbraw/zinc/64/21/53/572642153.db2.gz NNJLNIUMSLSVED-UHFFFAOYSA-N -1 3 296.248 3.264 20 30 CGEDHM COc1cccc([O-])c1/C=N/Cc1ccc(N(C)C)cc1C ZINC000734366135 572649806 /nfs/dbraw/zinc/64/98/06/572649806.db2.gz GCBCTSMSCFTDMF-XDHOZWIPSA-N -1 3 298.386 3.394 20 30 CGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1sccc1C ZINC000735450779 572720554 /nfs/dbraw/zinc/72/05/54/572720554.db2.gz DDDCOALKNTWYPS-UHFFFAOYSA-N -1 3 298.375 3.073 20 30 CGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1sccc1C ZINC000735450779 572720557 /nfs/dbraw/zinc/72/05/57/572720557.db2.gz DDDCOALKNTWYPS-UHFFFAOYSA-N -1 3 298.375 3.073 20 30 CGEDHM C=CCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735416724 572721871 /nfs/dbraw/zinc/72/18/71/572721871.db2.gz POTJZBXRVRIDTI-SNVBAGLBSA-N -1 3 260.366 3.237 20 30 CGEDHM C=CCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735416724 572721876 /nfs/dbraw/zinc/72/18/76/572721876.db2.gz POTJZBXRVRIDTI-SNVBAGLBSA-N -1 3 260.366 3.237 20 30 CGEDHM CC[C@](NCc1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC000736919962 572825195 /nfs/dbraw/zinc/82/51/95/572825195.db2.gz FCXURGPAJFTUPL-GOSISDBHSA-N -1 3 294.354 3.038 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cccc(F)n1 ZINC000747691925 572941154 /nfs/dbraw/zinc/94/11/54/572941154.db2.gz XJVOWFNMGZZABR-FRKPEAEDSA-N -1 3 264.687 3.199 20 30 CGEDHM Cc1ncc(CO)c(C=Nc2ccc(F)cc2Cl)c1[O-] ZINC000747707434 572942183 /nfs/dbraw/zinc/94/21/83/572942183.db2.gz HXNXACFNUUIBQX-UHFFFAOYSA-N -1 3 294.713 3.131 20 30 CGEDHM CCOc1ccc(/C=N/CCCOCC2CC2)c([O-])c1 ZINC000747714978 572942844 /nfs/dbraw/zinc/94/28/44/572942844.db2.gz AOAWWBKAVWHQFD-GZTJUZNOSA-N -1 3 277.364 3.027 20 30 CGEDHM C[C@H](Cc1ccncc1)/N=C/c1cc(Cl)ccc1[O-] ZINC000749844143 573046447 /nfs/dbraw/zinc/04/64/47/573046447.db2.gz HVIBLGZTBLEYAI-VDCVXVNISA-N -1 3 274.751 3.491 20 30 CGEDHM N#CCCCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826381682 607844636 /nfs/dbraw/zinc/84/46/36/607844636.db2.gz UVQACAWPWKBKMB-UHFFFAOYSA-N -1 3 293.783 3.306 20 30 CGEDHM N#CCCCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826381682 607844637 /nfs/dbraw/zinc/84/46/37/607844637.db2.gz UVQACAWPWKBKMB-UHFFFAOYSA-N -1 3 293.783 3.306 20 30 CGEDHM C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000050509929 600761453 /nfs/dbraw/zinc/76/14/53/600761453.db2.gz VJFVNKSAWCAPGY-LRDDRELGSA-N -1 3 280.327 3.035 20 30 CGEDHM C[C@@H]1CCC[C@H](N(C)Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833607492 604605041 /nfs/dbraw/zinc/60/50/41/604605041.db2.gz GLMHYTFOSDKROV-OCCSQVGLSA-N -1 3 286.375 3.267 20 30 CGEDHM CC(C)C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833482952 604609289 /nfs/dbraw/zinc/60/92/89/604609289.db2.gz ISGLNOYXIFSQFJ-ZDUSSCGKSA-N -1 3 286.375 3.124 20 30 CGEDHM CCc1onc(C)c1/C=C\C(=O)c1cc(C)c([O-])c(O)c1 ZINC000899380744 620688178 /nfs/dbraw/zinc/68/81/78/620688178.db2.gz JYOLTNPPXUNIPL-WAYWQWQTSA-N -1 3 287.315 3.161 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822284019 606389116 /nfs/dbraw/zinc/38/91/16/606389116.db2.gz GFSYFEAMEGYAQR-FNORWQNLSA-N -1 3 296.355 3.133 20 30 CGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000822923501 606389827 /nfs/dbraw/zinc/38/98/27/606389827.db2.gz SNJIPJCSISCLIP-SOFGYWHQSA-N -1 3 288.376 3.091 20 30 CGEDHM CC(=NNc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958542 608091639 /nfs/dbraw/zinc/09/16/39/608091639.db2.gz PZIVYTQOJLXOKD-UHFFFAOYSA-N -1 3 298.375 3.073 20 30 CGEDHM C#C[C@@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000890653492 617732777 /nfs/dbraw/zinc/73/27/77/617732777.db2.gz LONHCQSNVMHWGX-OAHLLOKOSA-N -1 3 279.339 3.173 20 30 CGEDHM CSc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)o1 ZINC000901372088 620866583 /nfs/dbraw/zinc/86/65/83/620866583.db2.gz PVGZTFXKTPAZIU-UHFFFAOYSA-N -1 3 281.308 3.172 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1F ZINC000901372033 620866707 /nfs/dbraw/zinc/86/67/07/620866707.db2.gz NXDPFAJWFIQGAK-LLVKDONJSA-N -1 3 291.297 3.486 20 30 CGEDHM O=C(c1cc(F)cc(F)c1)N([O-])Cc1ccc(F)cc1 ZINC000901375800 620868192 /nfs/dbraw/zinc/86/81/92/620868192.db2.gz KLPQWACMLWXGOU-UHFFFAOYSA-N -1 3 281.233 3.136 20 30 CGEDHM CCn1cncc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000901454763 620893269 /nfs/dbraw/zinc/89/32/69/620893269.db2.gz WPIUJFPFIIPAEC-NJQKBMNKSA-N -1 3 286.306 3.131 20 30 CGEDHM C=CCN(CCC(C)(C)C(=O)[O-])Cc1ccccc1F ZINC000902168636 621181623 /nfs/dbraw/zinc/18/16/23/621181623.db2.gz VCNUNTZNXWRLAH-UHFFFAOYSA-N -1 3 279.355 3.315 20 30 CGEDHM C[C@H](NCC1(C#N)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000903109564 621582768 /nfs/dbraw/zinc/58/27/68/621582768.db2.gz RLBZFQOVPYJCPC-JTQLQIEISA-N -1 3 280.318 3.405 20 30 CGEDHM O=C(CCOCC1CC1)N([O-])Cc1cccc2ccccc21 ZINC000904171709 621884582 /nfs/dbraw/zinc/88/45/82/621884582.db2.gz RTJNTLVAVZSKBU-UHFFFAOYSA-N -1 3 299.370 3.374 20 30 CGEDHM CC(=O)[C@@H](C)CCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173262 621884770 /nfs/dbraw/zinc/88/47/70/621884770.db2.gz HZDQVQPNTGFENF-LBPRGKRZSA-N -1 3 295.354 3.329 20 30 CGEDHM CCCCN([O-])C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000904210399 621886083 /nfs/dbraw/zinc/88/60/83/621886083.db2.gz OCWIPVQSJQJVDB-UHFFFAOYSA-N -1 3 292.310 3.041 20 30 CGEDHM CC(=O)C(C)(C)CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904191084 621886776 /nfs/dbraw/zinc/88/67/76/621886776.db2.gz SOAGTBFEAYYALJ-UHFFFAOYSA-N -1 3 297.782 3.453 20 30 CGEDHM O=C(CCC(F)F)N([O-])Cc1ccccc1Cl ZINC000904193661 621887588 /nfs/dbraw/zinc/88/75/88/621887588.db2.gz SGFMPGKQBNMVMK-UHFFFAOYSA-N -1 3 263.671 3.103 20 30 CGEDHM CSC1(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC000904198107 621888364 /nfs/dbraw/zinc/88/83/64/621888364.db2.gz TWJBMUGCSVSVFA-UHFFFAOYSA-N -1 3 279.405 3.123 20 30 CGEDHM CCCCN([O-])C(=O)CCCC(=O)c1cccc(OC)c1 ZINC000904213300 621890609 /nfs/dbraw/zinc/89/06/09/621890609.db2.gz NWMOAJJACXGRRT-UHFFFAOYSA-N -1 3 293.363 3.066 20 30 CGEDHM CC(C)(C)c1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1 ZINC000917554552 624287882 /nfs/dbraw/zinc/28/78/82/624287882.db2.gz GQKXLIUUVLZXFW-UHFFFAOYSA-N -1 3 294.362 3.096 20 30 CGEDHM CCCCCCCC(=O)[N-]OCCC(F)(F)F ZINC000155048901 624416015 /nfs/dbraw/zinc/41/60/15/624416015.db2.gz ZBPIMSAYRXEFLM-UHFFFAOYSA-N -1 3 255.280 3.347 20 30 CGEDHM C[C@@H]1CC(=NO[C@H]2CCCCO2)c2c1c(F)ccc2[O-] ZINC000755818264 626650134 /nfs/dbraw/zinc/65/01/34/626650134.db2.gz BOOBZTYZFXHPQA-RNCFNFMXSA-N -1 3 279.311 3.286 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=CCCCCC3)nc1-2 ZINC000774104378 627945295 /nfs/dbraw/zinc/94/52/95/627945295.db2.gz IEUWCDVNEFGKCK-CYBMUJFWSA-N -1 3 294.358 3.333 20 30 CGEDHM CC(=NNCCC(C)(C)C)c1ccc([O-])c(F)c1 ZINC000782908640 628667377 /nfs/dbraw/zinc/66/73/77/628667377.db2.gz XMRWRPDKGZKMLI-UHFFFAOYSA-N -1 3 252.333 3.281 20 30 CGEDHM C=CCCCCCSCc1nc(C)cc(=O)[n-]1 ZINC000783456170 628715255 /nfs/dbraw/zinc/71/52/55/628715255.db2.gz DDVFGJKMQXIZGZ-UHFFFAOYSA-N -1 3 252.383 3.470 20 30 CGEDHM C#CC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000862571471 629409902 /nfs/dbraw/zinc/40/99/02/629409902.db2.gz UHWCZRMAVFSAHB-CYBMUJFWSA-N -1 3 271.360 3.001 20 30 CGEDHM CC1CC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125182 629480615 /nfs/dbraw/zinc/48/06/15/629480615.db2.gz PDBSPMSTBUDSAC-UHFFFAOYSA-N -1 3 258.350 3.490 20 30 CGEDHM C[C@@H]1CSC[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000794678253 629565451 /nfs/dbraw/zinc/56/54/51/629565451.db2.gz ZXZPLIDKWANDEP-NUOZQYKXSA-N -1 3 255.770 3.216 20 30 CGEDHM C[C@@H]1CSC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000794678251 629565832 /nfs/dbraw/zinc/56/58/32/629565832.db2.gz ZXZPLIDKWANDEP-NAUUUVFWSA-N -1 3 255.770 3.216 20 30 CGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cccc(O)c1 ZINC000794933630 629602404 /nfs/dbraw/zinc/60/24/04/629602404.db2.gz KCXKUTRWNLYERT-XQRVVYSFSA-N -1 3 276.238 3.272 20 30 CGEDHM Cc1ccoc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC000794941562 629602814 /nfs/dbraw/zinc/60/28/14/629602814.db2.gz RAEKIRSYEYWENT-DUXPYHPUSA-N -1 3 264.227 3.468 20 30 CGEDHM CC(C)(C#N)CCCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188785 631042474 /nfs/dbraw/zinc/04/24/74/631042474.db2.gz XLUPNCDLAYZFLM-UHFFFAOYSA-N -1 3 286.331 3.141 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCc3ccccc32)c1 ZINC000811186927 631042482 /nfs/dbraw/zinc/04/24/82/631042482.db2.gz DFRQCSMXITXKOO-MRXNPFEDSA-N -1 3 279.295 3.108 20 30 CGEDHM C=CCC(F)(F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000815850246 631828642 /nfs/dbraw/zinc/82/86/42/631828642.db2.gz DJDMZBPPWUSGQW-UHFFFAOYSA-N -1 3 261.655 3.196 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]CC(F)(F)c1ccccc1 ZINC000816428897 631971737 /nfs/dbraw/zinc/97/17/37/631971737.db2.gz JQWYWLVLTSXZHN-UHFFFAOYSA-N -1 3 275.245 3.106 20 30 CGEDHM C=CCC1(C(=O)[N-]OC/C=C\Cl)CCCCC1 ZINC000832273457 634040489 /nfs/dbraw/zinc/04/04/89/634040489.db2.gz SPEZUGBCZXTPCQ-POHAHGRESA-N -1 3 257.761 3.313 20 30 CGEDHM CCC(CCC(F)(F)F)N=Nc1nc(C)cc(=O)[n-]1 ZINC000872324102 634108810 /nfs/dbraw/zinc/10/88/10/634108810.db2.gz KXVISROURSHGQU-UHFFFAOYSA-N -1 3 276.262 3.011 20 30 CGEDHM CC1(C)C[C@H](/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000124153216 634171101 /nfs/dbraw/zinc/17/11/01/634171101.db2.gz DHOWXCDDEZYOMD-GFQQVXNGSA-N -1 3 267.756 3.422 20 30 CGEDHM CCOc1cc(C=NOC(C)C)cc(Cl)c1[O-] ZINC000835003914 634310203 /nfs/dbraw/zinc/31/02/03/634310203.db2.gz BYZOHHBXMGCTEE-UHFFFAOYSA-N -1 3 257.717 3.203 20 30 CGEDHM Cc1cc([O-])c(CN(C[C@H](C)C#N)C2CC2)c(Cl)c1 ZINC000840922982 635082389 /nfs/dbraw/zinc/08/23/89/635082389.db2.gz QQUKKGHVQSSVDN-LLVKDONJSA-N -1 3 278.783 3.478 20 30 CGEDHM CCCON=C(C)c1cc(Br)ccc1[O-] ZINC000842565412 635403588 /nfs/dbraw/zinc/40/35/88/635403588.db2.gz HDGUPOXIXOQSCB-UHFFFAOYSA-N -1 3 272.142 3.305 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC3CCCC3)nc1-2 ZINC000842724266 635449215 /nfs/dbraw/zinc/44/92/15/635449215.db2.gz UTRCHTBZUJGXOS-FWWRYZNZSA-N -1 3 294.358 3.189 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000844548105 635927717 /nfs/dbraw/zinc/92/77/17/635927717.db2.gz VSYODSXWGYMIFX-MRVPVSSYSA-N -1 3 269.370 3.068 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C2CCC2)cs1 ZINC000844658364 635950922 /nfs/dbraw/zinc/95/09/22/635950922.db2.gz XIAGJEGGOLROAF-QMMMGPOBSA-N -1 3 267.354 3.038 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1c(Cl)cccc1Cl ZINC000846541352 636196183 /nfs/dbraw/zinc/19/61/83/636196183.db2.gz UHYMNYQSEHGPNT-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000846540715 636196247 /nfs/dbraw/zinc/19/62/47/636196247.db2.gz HQYAJARQAQJQQO-UHFFFAOYSA-N -1 3 285.343 3.088 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(Cl)cc1Cl ZINC000846540735 636196539 /nfs/dbraw/zinc/19/65/39/636196539.db2.gz IKIMYWGBSWZTIJ-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Cc1c(C)nc2ccccc2c1C ZINC000846542790 636197235 /nfs/dbraw/zinc/19/72/35/636197235.db2.gz CERPZJFJHNDNKN-NSHDSACASA-N -1 3 284.359 3.016 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000846546580 636198093 /nfs/dbraw/zinc/19/80/93/636198093.db2.gz WUVSLFGXVIHBSX-ZFWWWQNUSA-N -1 3 261.365 3.439 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCOc1cc(C)cc(C)c1C ZINC000846545465 636198333 /nfs/dbraw/zinc/19/83/33/636198333.db2.gz OMATUBXJUCDLGW-ZDUSSCGKSA-N -1 3 277.364 3.003 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ncccc1F ZINC000129562123 636308545 /nfs/dbraw/zinc/30/85/45/636308545.db2.gz QHAZSYNBIJLCQH-FRKPEAEDSA-N -1 3 264.687 3.199 20 30 CGEDHM Cc1cc([O-])c(C=NOCC(F)(F)F)cc1Cl ZINC000853321862 637809323 /nfs/dbraw/zinc/80/93/23/637809323.db2.gz SRHFCUJTWJLGFH-UHFFFAOYSA-N -1 3 267.634 3.267 20 30 CGEDHM C[C@@H](C#N)N(C(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000855583380 638219252 /nfs/dbraw/zinc/21/92/52/638219252.db2.gz XRLBAEOREACCFB-NSHDSACASA-N -1 3 280.327 3.062 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1ccccn1 ZINC000091438922 640713130 /nfs/dbraw/zinc/71/31/30/640713130.db2.gz ABRZOLKPKRKGRZ-FVOPLDGLSA-N -1 3 283.718 3.020 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)c1ccsc1 ZINC000304314173 640860769 /nfs/dbraw/zinc/86/07/69/640860769.db2.gz RDNODRIGCKPPPH-WXYNBALXSA-N -1 3 281.764 3.260 20 30 CGEDHM Cc1cc2nc(-c3ccc(C#N)cc3[O-])[nH]c2c(C)c1 ZINC001251332205 805884039 /nfs/dbraw/zinc/88/40/39/805884039.db2.gz MQFPDJUWWMAAOI-UHFFFAOYSA-N -1 3 263.300 3.424 20 30 CGEDHM C=CCC[C@@H](O)CNc1ccc(Cl)c(Cl)c1[O-] ZINC001252608691 806085224 /nfs/dbraw/zinc/08/52/24/806085224.db2.gz FHGYFGSVBWQIJE-MRVPVSSYSA-N -1 3 276.163 3.438 20 30 CGEDHM COC1(CN=Nc2nc3ccccc3[n-]c2=S)CCC1 ZINC001118948630 802621138 /nfs/dbraw/zinc/62/11/38/802621138.db2.gz DEUQRLOELFJPJZ-UHFFFAOYSA-N -1 3 288.376 3.259 20 30 CGEDHM CCCCCCCS(=O)(=O)[N-]c1c[nH]nc1C(C)C ZINC001119002475 802627408 /nfs/dbraw/zinc/62/74/08/802627408.db2.gz PCBNIZLKBKRVJN-UHFFFAOYSA-N -1 3 287.429 3.245 20 30 CGEDHM COCc1cc(OC)ccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001244018800 803143030 /nfs/dbraw/zinc/14/30/30/803143030.db2.gz NHHJUYSUKKSDPV-GIJQJNRQSA-N -1 3 289.306 3.456 20 30 CGEDHM N#Cc1c[nH]c2nccc(-c3c([O-])cccc3Cl)c12 ZINC001244048767 803160841 /nfs/dbraw/zinc/16/08/41/803160841.db2.gz SQACCTLPGYNKGN-UHFFFAOYSA-N -1 3 269.691 3.461 20 30 CGEDHM C[C@@H](NC(=S)Nc1ccc([O-])c(C#N)c1)c1ccccc1 ZINC001245517878 803784380 /nfs/dbraw/zinc/78/43/80/803784380.db2.gz GLTCYZMDUBALFO-LLVKDONJSA-N -1 3 297.383 3.311 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cnc(N)c(Cl)c2)cc1 ZINC001245569080 803821721 /nfs/dbraw/zinc/82/17/21/803821721.db2.gz NXBNMULJPWWTQM-CAOOACKPSA-N -1 3 261.712 3.182 20 30 CGEDHM N#Cc1ccc2c(c1)CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140462278 804441851 /nfs/dbraw/zinc/44/18/51/804441851.db2.gz DGTFLCUNJGOLDI-UHFFFAOYSA-N -1 3 298.773 3.476 20 30 CGEDHM C#C[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(Cl)cc1 ZINC001141799924 804670312 /nfs/dbraw/zinc/67/03/12/804670312.db2.gz RYCNHBGAXVXIAK-HNNXBMFYSA-N -1 3 299.757 3.458 20 30 CGEDHM Cc1ccccc1CCC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001144435589 804988365 /nfs/dbraw/zinc/98/83/65/804988365.db2.gz PGKBRKSZGXUYDF-UHFFFAOYSA-N -1 3 280.327 3.144 20 30 CGEDHM N#Cc1cc(NC(=O)c2scc3c2CCCC3)ccc1[O-] ZINC001153626552 805408276 /nfs/dbraw/zinc/40/82/76/805408276.db2.gz GMQMTVGGNGPYCS-UHFFFAOYSA-N -1 3 298.367 3.456 20 30 CGEDHM Cc1ccc(-c2ccc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)cc2)cc1 ZINC001171365502 808036089 /nfs/dbraw/zinc/03/60/89/808036089.db2.gz ZIYBBNGBGLJVKW-GUYCJALGSA-N -1 3 296.370 3.310 20 30 CGEDHM CC(=O)c1cccc(Nc2ccc([O-])c(C#N)c2)c1 ZINC001173901415 808752667 /nfs/dbraw/zinc/75/26/67/808752667.db2.gz DZBVMTKALMOAAW-UHFFFAOYSA-N -1 3 252.273 3.210 20 30 CGEDHM CCOc1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001175093568 809267756 /nfs/dbraw/zinc/26/77/56/809267756.db2.gz VNFJGPMBBJGFIU-UHFFFAOYSA-N -1 3 254.289 3.406 20 30 CGEDHM N#CCc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175266020 809330501 /nfs/dbraw/zinc/33/05/01/809330501.db2.gz SPUDMXQGLSMQKJ-UHFFFAOYSA-N -1 3 260.243 3.480 20 30 CGEDHM N#Cc1cccc(Cl)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429400 809401155 /nfs/dbraw/zinc/40/11/55/809401155.db2.gz KHKDOMOQXUODNB-UHFFFAOYSA-N -1 3 296.721 3.135 20 30 CGEDHM N#Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001175429295 809401526 /nfs/dbraw/zinc/40/15/26/809401526.db2.gz VFZKXYWWJFHEDL-UHFFFAOYSA-N -1 3 296.721 3.135 20 30 CGEDHM C[C@@H](C#N)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175429856 809401762 /nfs/dbraw/zinc/40/17/62/809401762.db2.gz RTZRPIDEMNCEND-NSHDSACASA-N -1 3 290.330 3.237 20 30 CGEDHM N#Cc1cccc([O-])c1Nc1cc([N+](=O)[O-])ccc1F ZINC001175738569 809525084 /nfs/dbraw/zinc/52/50/84/809525084.db2.gz LBELIMPPDWITJG-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(/C=C/[N+](=O)[O-])cc2)c1 ZINC001175903395 809569378 /nfs/dbraw/zinc/56/93/78/809569378.db2.gz WCADEFIELXAMDH-BQYQJAHWSA-N -1 3 281.271 3.255 20 30 CGEDHM N#Cc1cc(NC(=O)C2CCC3(CC3)CC2)ccc1[O-] ZINC001183882956 810166737 /nfs/dbraw/zinc/16/67/37/810166737.db2.gz ZTRMZGAYQPCNAC-UHFFFAOYSA-N -1 3 270.332 3.173 20 30 CGEDHM CN(Cc1cc(C#N)cs1)Cc1cccc(F)c1[O-] ZINC001184035965 810175876 /nfs/dbraw/zinc/17/58/76/810175876.db2.gz SPAXYTLCWSAEMP-UHFFFAOYSA-N -1 3 276.336 3.096 20 30 CGEDHM N#Cc1ccc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001214593942 815428794 /nfs/dbraw/zinc/42/87/94/815428794.db2.gz UOIHXNPNTIUAIQ-UHFFFAOYSA-N -1 3 294.289 3.332 20 30 CGEDHM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1cccc(C)c1F ZINC001200863901 811758395 /nfs/dbraw/zinc/75/83/95/811758395.db2.gz BNBGVVGCYMUCCT-UHFFFAOYSA-N -1 3 297.326 3.110 20 30 CGEDHM N#Cc1ccc(Nc2cncc([O-])c2)c(Br)c1 ZINC001201635748 811926032 /nfs/dbraw/zinc/92/60/32/811926032.db2.gz IRLGFWXDNBDEAX-UHFFFAOYSA-N -1 3 290.120 3.165 20 30 CGEDHM N#Cc1cnoc1[N-]C(=O)Nc1ccccc1C(F)(F)F ZINC001202156635 812026190 /nfs/dbraw/zinc/02/61/90/812026190.db2.gz RYTQNYKVGAEDOC-UHFFFAOYSA-N -1 3 296.208 3.209 20 30 CGEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(F)cc1 ZINC001202354883 812073226 /nfs/dbraw/zinc/07/32/26/812073226.db2.gz PPCPXNYGXPNOJB-UHFFFAOYSA-N -1 3 271.251 3.047 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)Nc1cccc(C#N)c1 ZINC001202786760 812173881 /nfs/dbraw/zinc/17/38/81/812173881.db2.gz BEQVIUCBJHVLMB-UHFFFAOYSA-N -1 3 267.288 3.216 20 30 CGEDHM N#Cc1ccc(-c2csc([N-]c3cnoc3)n2)s1 ZINC001203236742 812275473 /nfs/dbraw/zinc/27/54/73/812275473.db2.gz ISTHOACTMZVTPA-UHFFFAOYSA-N -1 3 274.330 3.475 20 30 CGEDHM N#Cc1ncc(Cl)cc1Nc1cc(F)c([O-])cc1F ZINC001215572285 815537387 /nfs/dbraw/zinc/53/73/87/815537387.db2.gz BWWAUWGBYNZMET-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM Cc1cc(-c2noc(-c3cc([O-])ccc3F)n2)ccc1C#N ZINC001215749937 815573563 /nfs/dbraw/zinc/57/35/63/815573563.db2.gz WCIQSXXCIADSLU-UHFFFAOYSA-N -1 3 295.273 3.428 20 30 CGEDHM N#Cc1cc(F)c(Nc2cc([O-])cc(F)c2)c(F)c1 ZINC001206850871 813451631 /nfs/dbraw/zinc/45/16/31/813451631.db2.gz DUXXVWHHWBGTHG-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1ncc(Cl)cc1Nc1ccc(F)cc1[O-] ZINC001210017130 814246649 /nfs/dbraw/zinc/24/66/49/814246649.db2.gz XHVUTQJMAOBWJL-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM N#Cc1ncccc1[N-]c1snnc1-c1ccccc1 ZINC001210142461 814308570 /nfs/dbraw/zinc/30/85/70/814308570.db2.gz XDXGLRCTOAOYJB-UHFFFAOYSA-N -1 3 279.328 3.215 20 30 CGEDHM Cc1cc(C#N)ccc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001210376869 814431910 /nfs/dbraw/zinc/43/19/10/814431910.db2.gz NAOIEROHPSAXGE-UHFFFAOYSA-N -1 3 295.342 3.018 20 30 CGEDHM Cc1noc([N-]c2ccc(Cl)c3c[nH]nc32)c1C#N ZINC001216054086 815674275 /nfs/dbraw/zinc/67/42/75/815674275.db2.gz GCQWNXJUTDMWGN-UHFFFAOYSA-N -1 3 273.683 3.128 20 30 CGEDHM [O-]/N=C(/c1ccccc1)[C@H](OCC1COC1)c1ccccc1 ZINC001224746943 816871565 /nfs/dbraw/zinc/87/15/65/816871565.db2.gz SKCLBCODGXQALQ-LYHOESIGSA-N -1 3 297.354 3.269 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cccc(F)c2)[n-]1 ZINC001225466515 817061255 /nfs/dbraw/zinc/06/12/55/817061255.db2.gz FCMYDRPPQRQYIE-JTQLQIEISA-N -1 3 272.279 3.246 20 30 CGEDHM C=C[C@@H](CC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852830 817196903 /nfs/dbraw/zinc/19/69/03/817196903.db2.gz LLNGLQINTZRRSW-LURJTMIESA-N -1 3 264.272 3.128 20 30 CGEDHM CC#CC[C@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533087 817389535 /nfs/dbraw/zinc/38/95/35/817389535.db2.gz YRJKNFQMSNAZBU-LBPRGKRZSA-N -1 3 286.327 3.378 20 30 CGEDHM Cc1cc(O[C@@H](C)c2ccccc2C#N)[n-]c(=S)n1 ZINC001226797273 817468062 /nfs/dbraw/zinc/46/80/62/817468062.db2.gz AFWKYVWTRRJWNO-JTQLQIEISA-N -1 3 271.345 3.085 20 30 CGEDHM CCCC(=O)[C@H](CCC)Oc1cc(C#N)ccc1[O-] ZINC001227345110 817628626 /nfs/dbraw/zinc/62/86/26/817628626.db2.gz JYHRDLIAVSPHOW-AWEZNQCLSA-N -1 3 261.321 3.181 20 30 CGEDHM C=C(C)C[C@H](Oc1n[n-]c(-c2ccncc2)n1)C(=C)C ZINC001228699686 817979384 /nfs/dbraw/zinc/97/93/84/817979384.db2.gz IWOQPSQPPALJEZ-ZDUSSCGKSA-N -1 3 270.336 3.156 20 30 CGEDHM Cc1cccc2c1CN(Cc1cc(C#N)ccc1[O-])C2 ZINC001232674140 818415971 /nfs/dbraw/zinc/41/59/71/818415971.db2.gz RRZNYTYXTCFQMV-UHFFFAOYSA-N -1 3 264.328 3.088 20 30 CGEDHM CN(Cc1ccccc1F)Cc1cc(C#N)ccc1[O-] ZINC001232679219 818417001 /nfs/dbraw/zinc/41/70/01/818417001.db2.gz HDDODRWCBHCIPA-UHFFFAOYSA-N -1 3 270.307 3.035 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1OC1CCC(C)CC1 ZINC001233802520 818708841 /nfs/dbraw/zinc/70/88/41/818708841.db2.gz HCHXOFDJHURPPN-MHWRWJLKSA-N -1 3 263.337 3.461 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@H]2CCc3ccccc32)c1 ZINC001234139714 818787626 /nfs/dbraw/zinc/78/76/26/818787626.db2.gz KIJUSVMUXGEMLG-INIZCTEOSA-N -1 3 251.285 3.330 20 30 CGEDHM COc1ccccc1[C@@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234142416 818790141 /nfs/dbraw/zinc/79/01/41/818790141.db2.gz UWUVWGANKQTYAF-LLVKDONJSA-N -1 3 269.300 3.412 20 30 CGEDHM N#CC[C@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234143184 818790570 /nfs/dbraw/zinc/79/05/70/818790570.db2.gz AKYVAUABYMCZRL-INIZCTEOSA-N -1 3 264.284 3.298 20 30 CGEDHM N#C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccc(F)c1 ZINC001234453182 818859183 /nfs/dbraw/zinc/85/91/83/818859183.db2.gz UQENVTJGSNWFNK-CYBMUJFWSA-N -1 3 283.262 3.051 20 30 CGEDHM N#C[C@H](Oc1nc2ccsc2[n-]1)c1ccccc1 ZINC001234846349 818931703 /nfs/dbraw/zinc/93/17/03/818931703.db2.gz BGCOCVURJYATCH-NSHDSACASA-N -1 3 255.302 3.268 20 30 CGEDHM Cc1cc(-c2ccc3c(c2)CC/C3=N/[O-])cnc1F ZINC001243400604 823393316 /nfs/dbraw/zinc/39/33/16/823393316.db2.gz MEAUUDBEUJCZAZ-JXAWBTAJSA-N -1 3 256.280 3.321 20 30 CGEDHM N#Cc1cc(C(F)(F)F)ccc1-c1ccc(=S)[n-]n1 ZINC001238843266 820131973 /nfs/dbraw/zinc/13/19/73/820131973.db2.gz RUDBIWCZLFPOTQ-UHFFFAOYSA-N -1 3 281.262 3.323 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3c(c2)CCO3)c1 ZINC001239807315 820622656 /nfs/dbraw/zinc/62/26/56/820622656.db2.gz YGMHPSBBBWEVDT-RQZCQDPDSA-N -1 3 257.264 3.236 20 30 CGEDHM [O-]N=Cc1ccc(F)c(-c2ccc3[nH]cnc3c2)c1 ZINC001241703462 822084515 /nfs/dbraw/zinc/08/45/15/822084515.db2.gz LEGQBWJDIXRZEU-CNHKJKLMSA-N -1 3 255.252 3.177 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3nc[nH]c3c2)c1 ZINC001241703462 822084517 /nfs/dbraw/zinc/08/45/17/822084517.db2.gz LEGQBWJDIXRZEU-CNHKJKLMSA-N -1 3 255.252 3.177 20 30 CGEDHM COc1ncc(-c2ccc3c(c2)CC/C3=N/[O-])cc1C ZINC001242431916 822992089 /nfs/dbraw/zinc/99/20/89/822992089.db2.gz GYTCKUJDIHIKDM-SDXDJHTJSA-N -1 3 268.316 3.190 20 30 CGEDHM CC(C)n1ccc(-c2ccc3c(c2)CC/C3=N/[O-])n1 ZINC001242455883 822998208 /nfs/dbraw/zinc/99/82/08/822998208.db2.gz KEAWMWREUQNFIG-ICFOKQHNSA-N -1 3 255.321 3.256 20 30 CGEDHM CC(C)n1nccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001242559255 823032311 /nfs/dbraw/zinc/03/23/11/823032311.db2.gz XTEDUFYBMQDISS-VKAVYKQESA-N -1 3 255.321 3.256 20 30 CGEDHM CC(C)(C)CN(CCC#N)Cc1ccc([O-])c(F)c1 ZINC001335415683 936144749 /nfs/dbraw/zinc/14/47/49/936144749.db2.gz CCBBUKQWTGANMG-UHFFFAOYSA-N -1 3 264.344 3.293 20 30 CGEDHM CC#CC[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096563 927321271 /nfs/dbraw/zinc/32/12/71/927321271.db2.gz FKGHXPKUBJTKHI-SNVBAGLBSA-N -1 3 299.164 3.431 20 30 CGEDHM CCOc1ccccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001357599626 937175307 /nfs/dbraw/zinc/17/53/07/937175307.db2.gz XBAOXHGUPZUFRD-LBPRGKRZSA-N -1 3 284.290 3.109 20 30 CGEDHM C=C[C@@H](CCC)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231091595 928078312 /nfs/dbraw/zinc/07/83/12/928078312.db2.gz XPOFFPHFHPTCEB-VIFPVBQESA-N -1 3 299.754 3.351 20 30 CGEDHM CCCCCCN([O-])C(=O)C1(C#N)CCCCC1 ZINC001458008971 937448550 /nfs/dbraw/zinc/44/85/50/937448550.db2.gz CBAUBEGCPFTVCQ-UHFFFAOYSA-N -1 3 252.358 3.259 20 30 CGEDHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)C1CC1 ZINC001458007206 937448664 /nfs/dbraw/zinc/44/86/64/937448664.db2.gz FXRMHNPKACQCIE-ZDUSSCGKSA-N -1 3 261.365 3.273 20 30 CGEDHM CCCCN([O-])C(=O)c1ncsc1-c1ccccc1 ZINC001161832209 931986425 /nfs/dbraw/zinc/98/64/25/931986425.db2.gz LHXZQONGGCTRES-UHFFFAOYSA-N -1 3 276.361 3.442 20 30 CGEDHM C#C[C@H](Oc1nc(=S)[n-]c2scc(C)c21)C(C)C ZINC001229353581 932138965 /nfs/dbraw/zinc/13/89/65/932138965.db2.gz QGYGJHVWNRSTKQ-VIFPVBQESA-N -1 3 278.402 3.325 20 30 CGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(C)[n-]c(=O)c2C)O1 ZINC001229685386 932188912 /nfs/dbraw/zinc/18/89/12/932188912.db2.gz MGCPZUCDSQCNNG-MLGOLLRUSA-N -1 3 292.379 3.080 20 30 CGEDHM C=C[C@]1(C)CC[C@@H](Oc2nc(C)[n-]c(=O)c2C)C(C)(C)O1 ZINC001229690672 932469583 /nfs/dbraw/zinc/46/95/83/932469583.db2.gz QLPQXGYKYMKIPZ-MLGOLLRUSA-N -1 3 292.379 3.080 20 30 CGEDHM C=C[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229951049 932507324 /nfs/dbraw/zinc/50/73/24/932507324.db2.gz PANUYUJAVINWKM-AWEZNQCLSA-N -1 3 278.315 3.173 20 30 CGEDHM C=C[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229951049 932507330 /nfs/dbraw/zinc/50/73/30/932507330.db2.gz 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C[C@H](COc1cccc(/C=N/[O-])c1)Oc1ccccc1 ZINC001226114062 817275919 /nfs/dbraw/zinc/27/59/19/817275919.db2.gz DLWYNAIYXZCGJI-VVBXCHJUSA-N -1 3 271.316 3.341 20 30 CGEDHM C[C@@H](COc1cc(C#N)ccc1[O-])Oc1ccccc1 ZINC001227350891 817630474 /nfs/dbraw/zinc/63/04/74/817630474.db2.gz QPIYEUKIKHRFRQ-LBPRGKRZSA-N -1 3 269.300 3.110 20 30 CGEDHM CC#C[C@@H](CC)Oc1c([O-])cc(Br)cc1F ZINC001227590057 817677217 /nfs/dbraw/zinc/67/72/17/817677217.db2.gz BTUNEIRYXQQSFN-SECBINFHSA-N -1 3 287.128 3.475 20 30 CGEDHM N#C[C@H](Oc1ncc(Cl)cc1[O-])c1ccccc1F ZINC001227983809 817772750 /nfs/dbraw/zinc/77/27/50/817772750.db2.gz TYUYQCWVNKQYDD-LBPRGKRZSA-N -1 3 278.670 3.223 20 30 CGEDHM C#C[C@@H](CC(C)C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622387 817955896 /nfs/dbraw/zinc/95/58/96/817955896.db2.gz IKGZMLDEGBLLGW-LBPRGKRZSA-N -1 3 286.327 3.234 20 30 CGEDHM C[C@H](CC(C)(C)S)Oc1cc2c(cc1[O-])CCC2=O ZINC001228855560 818023549 /nfs/dbraw/zinc/02/35/49/818023549.db2.gz MSRHSMDFRBHXFD-SECBINFHSA-N -1 3 280.389 3.387 20 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/nfs/dbraw/zinc/24/73/50/928247350.db2.gz CSMKPHVMVBWVMO-VOTSOKGWSA-N -1 3 282.225 3.125 20 30 CGEDHM O=C(C=Cc1ccccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000072673280 928247363 /nfs/dbraw/zinc/24/73/63/928247363.db2.gz CSMKPHVMVBWVMO-VOTSOKGWSA-N -1 3 282.225 3.125 20 30 CGEDHM C#CCOc1ccc(NC(=O)c2cccc(CC)c2[O-])cc1 ZINC001443940578 937348984 /nfs/dbraw/zinc/34/89/84/937348984.db2.gz DXXOXGSNPDIYLO-UHFFFAOYSA-N -1 3 295.338 3.219 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](C)Oc1cccc(F)c1 ZINC001458009072 937448778 /nfs/dbraw/zinc/44/87/78/937448778.db2.gz COUNYQYDBADPMW-LBPRGKRZSA-N -1 3 283.343 3.391 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001458024609 937449477 /nfs/dbraw/zinc/44/94/77/937449477.db2.gz QNAGSFALLCZWCO-NXEZZACHSA-N -1 3 287.281 3.225 20 30 CGEDHM C=C[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229100434 932095208 /nfs/dbraw/zinc/09/52/08/932095208.db2.gz RWSGISFXGADHSU-MRVPVSSYSA-N -1 3 273.126 3.204 20 30 CGEDHM C#CC[C@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354306 932135585 /nfs/dbraw/zinc/13/55/85/932135585.db2.gz VSLAXRDJEHFODA-QMMMGPOBSA-N -1 3 264.375 3.079 20 30 CGEDHM C/C(=N\[O-])c1ccccc1O[C@H](C)C1CCOCC1 ZINC001229739670 932477346 /nfs/dbraw/zinc/47/73/46/932477346.db2.gz FMAMXXIZIDIWHM-PILJQMSFSA-N -1 3 263.337 3.079 20 30 CGEDHM C/C(=N\[O-])c1ccccc1OC1Cc2ccccc2C1 ZINC001229742413 932479242 /nfs/dbraw/zinc/47/92/42/932479242.db2.gz ZOOYQABEBRRZOZ-LDADJPATSA-N -1 3 267.328 3.431 20 30 CGEDHM CCN1CC(Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229933391 932505049 /nfs/dbraw/zinc/50/50/49/932505049.db2.gz PQSVRZOINAKEFC-YBFXNURJSA-N -1 3 296.370 3.226 20 30 CGEDHM C=C[C@H](CCCCC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074569 932673089 /nfs/dbraw/zinc/67/30/89/932673089.db2.gz VZJREEHSXCEZTH-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM Cc1ccoc1CC(=O)N([O-])Cc1ccccc1Cl ZINC001306894432 932890958 /nfs/dbraw/zinc/89/09/58/932890958.db2.gz LFUWKBOYZUNADM-UHFFFAOYSA-N -1 3 279.723 3.202 20 30 CGEDHM CCc1ccc([O-])c(NC(=O)c2ccsc2C#N)c1 ZINC001466549258 937710381 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937852903 /nfs/dbraw/zinc/85/29/03/937852903.db2.gz IYRZDHRIRJADIE-UHFFFAOYSA-N -1 3 279.330 3.438 20 30 CGEDHM N#Cc1cc(Cl)ccc1[N-]C(=O)c1ocnc1C(F)F ZINC001532393137 938086578 /nfs/dbraw/zinc/08/65/78/938086578.db2.gz WMYYKJLBPBWVNH-UHFFFAOYSA-N -1 3 297.648 3.390 20 30 CGEDHM C=C(CC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001548672187 938151824 /nfs/dbraw/zinc/15/18/24/938151824.db2.gz MMQWEZGADMGWCC-UHFFFAOYSA-N -1 3 259.227 3.316 20 30 CGEDHM CCCCN([O-])C(=O)c1sccc1-n1cccc1 ZINC001559035278 938219157 /nfs/dbraw/zinc/21/91/57/938219157.db2.gz KGMVSMDVCSJIAU-UHFFFAOYSA-N -1 3 264.350 3.170 20 30 CGEDHM O=C(c1cc2c(o1)CCCC2)N([O-])Cc1ccc(F)cc1 ZINC001559037088 938219195 /nfs/dbraw/zinc/21/91/95/938219195.db2.gz ILMSCQFTKCPGEU-UHFFFAOYSA-N -1 3 289.306 3.329 20 30 CGEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC001566435689 960939951 /nfs/dbraw/zinc/93/99/51/960939951.db2.gz SZQXRHFUCOLEQE-ZDUSSCGKSA-N -1 3 298.317 3.242 20 30 CGEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(Cl)c2[O-])C1 ZINC001583565915 962824736 /nfs/dbraw/zinc/82/47/36/962824736.db2.gz ODGMMNVGITZXJR-VHSXEESVSA-N -1 3 279.723 3.285 20 30 CGEDHM C=CC[C@H](CC)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001588540998 963288393 /nfs/dbraw/zinc/28/83/93/963288393.db2.gz HQCHWGMXAKKJQC-NSHDSACASA-N -1 3 294.362 3.182 20 30 CGEDHM C=CC[C@H](CC)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001588540998 963288399 /nfs/dbraw/zinc/28/83/99/963288399.db2.gz HQCHWGMXAKKJQC-NSHDSACASA-N -1 3 294.362 3.182 20 30 CGEDHM C=CCCCNc1cc(-c2nn[n-]n2)ccc1NCCC ZINC001588600903 963289686 /nfs/dbraw/zinc/28/96/86/963289686.db2.gz SXXVJHMPJXMYET-UHFFFAOYSA-N -1 3 286.383 3.067 20 30 CGEDHM C=CCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588689133 963296656 /nfs/dbraw/zinc/29/66/56/963296656.db2.gz GOOFGYJLQIUBFD-UHFFFAOYSA-N -1 3 278.315 3.099 20 30 CGEDHM C=CCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588689133 963296665 /nfs/dbraw/zinc/29/66/65/963296665.db2.gz GOOFGYJLQIUBFD-UHFFFAOYSA-N -1 3 278.315 3.099 20 30 CGEDHM CC(=NOC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588782909 963315550 /nfs/dbraw/zinc/31/55/50/963315550.db2.gz ZHKQSLPEWHZTLF-UHFFFAOYSA-N -1 3 293.758 3.059 20 30 CGEDHM CC(=NOC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588782909 963315562 /nfs/dbraw/zinc/31/55/62/963315562.db2.gz ZHKQSLPEWHZTLF-UHFFFAOYSA-N -1 3 293.758 3.059 20 30 CGEDHM C=CCCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621981128 349616829 /nfs/dbraw/zinc/61/68/29/349616829.db2.gz DTTRLAXVOUABQG-UHFFFAOYSA-N -1 3 273.254 3.107 20 30 CGEDHM C=C(C)CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622088273 349627669 /nfs/dbraw/zinc/62/76/69/349627669.db2.gz LXMLTFHSXCJAMJ-UHFFFAOYSA-N -1 3 273.254 3.107 20 30 CGEDHM CN(Cc1cc([O-])ccc1Br)CC(C)(C)C#N ZINC000354019264 529980359 /nfs/dbraw/zinc/98/03/59/529980359.db2.gz WJXMVPFLDQFVRH-UHFFFAOYSA-N -1 3 297.196 3.136 20 30 CGEDHM Cc1cc(F)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000076822222 345552098 /nfs/dbraw/zinc/55/20/98/345552098.db2.gz YKJKXSQIQBSYPE-CQSZACIVSA-N -1 3 283.306 3.031 20 30 CGEDHM Cc1ncoc1C(=O)[N-]c1ccccc1SCCC#N ZINC000081689235 345718173 /nfs/dbraw/zinc/71/81/73/345718173.db2.gz CWJCTCBSKGZOSJ-UHFFFAOYSA-N -1 3 287.344 3.241 20 30 CGEDHM CCc1cccc(C(=O)N(C)Cc2ccc(C#N)cc2)c1[O-] ZINC000081937802 345720641 /nfs/dbraw/zinc/72/06/41/345720641.db2.gz TZVKDUYAOXMDEO-UHFFFAOYSA-N -1 3 294.354 3.098 20 30 CGEDHM N#Cc1ccc(SCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000584826262 346717274 /nfs/dbraw/zinc/71/72/74/346717274.db2.gz WXBWPHRXLYVWAG-UHFFFAOYSA-N -1 3 283.356 3.224 20 30 CGEDHM CCc1ocnc1C(=O)[N-]c1sc(C)c(CC)c1C#N ZINC000351771835 219202533 /nfs/dbraw/zinc/20/25/33/219202533.db2.gz SINXEBWJQUSVAP-UHFFFAOYSA-N -1 3 289.360 3.293 20 30 CGEDHM C[C@H](CC#N)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000597624362 347585409 /nfs/dbraw/zinc/58/54/09/347585409.db2.gz HSTLDLSOVHRTHG-SNVBAGLBSA-N -1 3 260.337 3.178 20 30 CGEDHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@@H]1CCC[C@@H]1C#N ZINC000601818223 347917333 /nfs/dbraw/zinc/91/73/33/347917333.db2.gz KNSSCKRKDRBGOH-CZUORRHYSA-N -1 3 298.386 3.035 20 30 CGEDHM C=CC(C)(C)CNC(=O)c1cc(SC)ccc1[O-] ZINC000615831774 348767224 /nfs/dbraw/zinc/76/72/24/348767224.db2.gz QXXYGDRPTRDPLW-UHFFFAOYSA-N -1 3 265.378 3.056 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000617035532 348902757 /nfs/dbraw/zinc/90/27/57/348902757.db2.gz NSGISDDEBDLWBO-IUODEOHRSA-N -1 3 259.349 3.257 20 30 CGEDHM C=CCCC1(CNC(=O)c2csc(=O)[n-]2)CCCC1 ZINC000617417008 348959459 /nfs/dbraw/zinc/95/94/59/348959459.db2.gz HPXZBQNPGJDOPU-UHFFFAOYSA-N -1 3 280.393 3.105 20 30 CGEDHM Cc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1C#N ZINC000352026595 219293361 /nfs/dbraw/zinc/29/33/61/219293361.db2.gz LIPOJEOACFYAOI-CLTKARDFSA-N -1 3 277.327 3.410 20 30 CGEDHM C=CC(C)(C)CCNC(=O)c1ccc([O-])c(CC)c1 ZINC000628312576 350494093 /nfs/dbraw/zinc/49/40/93/350494093.db2.gz HEVIIMHCANDTDM-UHFFFAOYSA-N -1 3 261.365 3.287 20 30 CGEDHM C=CC[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000628490628 350557457 /nfs/dbraw/zinc/55/74/57/350557457.db2.gz CNQNFFFVQPYCLC-JTQLQIEISA-N -1 3 265.740 3.084 20 30 CGEDHM C=CC[C@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000628491561 350558402 /nfs/dbraw/zinc/55/84/02/350558402.db2.gz BFPDKGCISSAAGR-JTQLQIEISA-N -1 3 299.292 3.449 20 30 CGEDHM Cc1c2occ([O-])c2ccc1OCCCC(C)(C)C#N ZINC000634560522 351514525 /nfs/dbraw/zinc/51/45/25/351514525.db2.gz MTGPCLYSHDWGMU-UHFFFAOYSA-N -1 3 273.332 3.279 20 30 CGEDHM CCCc1nc(C(=O)[N-]c2sc(CC)cc2C#N)co1 ZINC000274276763 192515419 /nfs/dbraw/zinc/51/54/19/192515419.db2.gz ILODBYPUHNLBGZ-UHFFFAOYSA-N -1 3 289.360 3.375 20 30 CGEDHM N#Cc1cccc(/C=C\C(=O)Nc2ccc([O-])cc2F)c1 ZINC000493456008 244165727 /nfs/dbraw/zinc/16/57/27/244165727.db2.gz DIIIGMRPXQMRGB-DAXSKMNVSA-N -1 3 282.274 3.055 20 30 CGEDHM C=CCN(Cc1ccc(OC)cc1)Cc1nc(C)ccc1[O-] ZINC000092217488 370094822 /nfs/dbraw/zinc/09/48/22/370094822.db2.gz OWMNRRXQEXYSMP-UHFFFAOYSA-N -1 3 298.386 3.292 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2ccnc(C#N)c2)c([O-])c1 ZINC000337354025 214024691 /nfs/dbraw/zinc/02/46/91/214024691.db2.gz AVEXMQUXEIBOAM-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1CCC(C)C ZINC000160142801 372216086 /nfs/dbraw/zinc/21/60/86/372216086.db2.gz KTULBYFHSJAVBI-AWEZNQCLSA-N -1 3 296.374 3.123 20 30 CGEDHM CCN(Cc1ccc([O-])c2nc(C)ccc12)C[C@H](C)C#N ZINC000429691330 372375712 /nfs/dbraw/zinc/37/57/12/372375712.db2.gz VYGVPSGGNSGQHZ-GFCCVEGCSA-N -1 3 283.375 3.230 20 30 CGEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000433295206 372585393 /nfs/dbraw/zinc/58/53/93/372585393.db2.gz COANHFCOVAHKLG-AWEZNQCLSA-N -1 3 280.327 3.103 20 30 CGEDHM CC[C@](C)(NC(=O)c1csc(=O)[n-]1)c1nc(C)cs1 ZINC000329906639 374440820 /nfs/dbraw/zinc/44/08/20/374440820.db2.gz KGOKLMKPZMQTOF-LBPRGKRZSA-N -1 3 297.405 3.244 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2csnn2)c([O-])c1 ZINC000330386360 374457292 /nfs/dbraw/zinc/45/72/92/374457292.db2.gz AZXKOPSZWOVEKY-UHFFFAOYSA-N -1 3 277.349 3.178 20 30 CGEDHM Cc1nc(CC2CC2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000190832802 375542289 /nfs/dbraw/zinc/54/22/89/375542289.db2.gz GSEXEDUQLSHAGZ-GFCCVEGCSA-N -1 3 297.383 3.289 20 30 CGEDHM Cn1cccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000338186785 376277563 /nfs/dbraw/zinc/27/75/63/376277563.db2.gz BLHHTWTYSZCYQZ-JTQLQIEISA-N -1 3 281.340 3.125 20 30 CGEDHM C=C(C)[C@H](CC(=O)Nc1c([O-])cccc1Cl)OCC ZINC000564471477 377477649 /nfs/dbraw/zinc/47/76/49/377477649.db2.gz SXVZELRJVKRZPJ-LBPRGKRZSA-N -1 3 283.755 3.355 20 30 CGEDHM C=CCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000274521655 378845838 /nfs/dbraw/zinc/84/58/38/378845838.db2.gz BIWVCTIGPMNJHD-UHFFFAOYSA-N -1 3 270.332 3.027 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2cc(Cl)cc(F)c2F)o1 ZINC000334900036 207262881 /nfs/dbraw/zinc/26/28/81/207262881.db2.gz FWFWFAAZTUHDLB-UHFFFAOYSA-N -1 3 282.633 3.335 20 30 CGEDHM CN(CC(C)(C)C#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000334345990 392722279 /nfs/dbraw/zinc/72/22/79/392722279.db2.gz POBMVUGFGLJQPQ-UHFFFAOYSA-N -1 3 282.343 3.167 20 30 CGEDHM Cc1cc2sc(C(=O)N[O-])c(Cl)c2c(C)c1 ZINC000671997570 543195535 /nfs/dbraw/zinc/19/55/35/543195535.db2.gz GSVGPKGEPODNAP-UHFFFAOYSA-N -1 3 255.726 3.291 20 30 CGEDHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1ccccn1 ZINC000049457231 416470725 /nfs/dbraw/zinc/47/07/25/416470725.db2.gz UZNKTCZBILWFLJ-ZDUSSCGKSA-N -1 3 275.311 3.361 20 30 CGEDHM N#CC(=C([O-])c1ccc2sccc2c1)c1ccncn1 ZINC000354462807 227002260 /nfs/dbraw/zinc/00/22/60/227002260.db2.gz ILMJDPYSUCMQNJ-LBPRGKRZSA-N -1 3 279.324 3.181 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C3CC3)cc2)nc(C)n1 ZINC000659024443 418957724 /nfs/dbraw/zinc/95/77/24/418957724.db2.gz CZJFHBDSOSHWAF-INIZCTEOSA-N -1 3 291.354 3.461 20 30 CGEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)C)cc1 ZINC000272404810 263003850 /nfs/dbraw/zinc/00/38/50/263003850.db2.gz FOZMKPWUYMSLEC-CQSZACIVSA-N -1 3 280.318 3.141 20 30 CGEDHM C[C@H]1COCC[C@H]1/N=C/c1c([O-])ccc2ccccc21 ZINC000277382843 263040803 /nfs/dbraw/zinc/04/08/03/263040803.db2.gz NHJWDPBFZSEWQO-BSNGOPDNSA-N -1 3 269.344 3.389 20 30 CGEDHM CC1(C)CCCN(Cc2cc([O-])cc(F)c2)[C@@H]1C#N ZINC000278380932 263047850 /nfs/dbraw/zinc/04/78/50/263047850.db2.gz LUCNHVUVMYMLEY-CQSZACIVSA-N -1 3 262.328 3.045 20 30 CGEDHM Cc1ccc(C(=O)NCC2CCC(C#N)CC2)c([O-])c1C ZINC000282120990 263074542 /nfs/dbraw/zinc/07/45/42/263074542.db2.gz ATJPGLWGCJLDFX-UHFFFAOYSA-N -1 3 286.375 3.069 20 30 CGEDHM CCc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)ccc1[O-] ZINC000291984110 263126921 /nfs/dbraw/zinc/12/69/21/263126921.db2.gz RFLGDBAJZIAGKR-PXAZEXFGSA-N -1 3 286.375 3.157 20 30 CGEDHM CCOc1cc(CN[C@H](CC)CC#N)cc(Cl)c1[O-] ZINC000297557858 263206256 /nfs/dbraw/zinc/20/62/56/263206256.db2.gz GZLMAKCGPRUSIQ-LLVKDONJSA-N -1 3 282.771 3.226 20 30 CGEDHM CCOc1cc(CN(CC)CCC#N)cc(Cl)c1[O-] ZINC000297638110 263207328 /nfs/dbraw/zinc/20/73/28/263207328.db2.gz IETSAYSKBMNIKZ-UHFFFAOYSA-N -1 3 282.771 3.180 20 30 CGEDHM CCc1ccc(C(=O)NC[C@@H]2CCC[C@H]2OC)c([O-])c1 ZINC000331233597 264173788 /nfs/dbraw/zinc/17/37/88/264173788.db2.gz KAHURWNEMJZUGT-SWLSCSKDSA-N -1 3 277.364 3.074 20 30 CGEDHM N#Cc1cc(F)c(C(=O)[N-]c2ncccc2Cl)c(F)c1 ZINC000179974779 327740125 /nfs/dbraw/zinc/74/01/25/327740125.db2.gz KMOIHQMCFZASMY-UHFFFAOYSA-N -1 3 293.660 3.137 20 30 CGEDHM CC(C)O[C@H]1C[C@@H](/N=C/c2ccccc2[O-])C1(C)C ZINC000274161736 328208667 /nfs/dbraw/zinc/20/86/67/328208667.db2.gz FOFWJMBWVFAYRF-BIJYSIMDSA-N -1 3 261.365 3.403 20 30 CGEDHM CC(C)O[C@H]1C[C@H](/N=C/c2ccccc2[O-])C1(C)C ZINC000274161741 328208798 /nfs/dbraw/zinc/20/87/98/328208798.db2.gz FOFWJMBWVFAYRF-VOSWBJTRSA-N -1 3 261.365 3.403 20 30 CGEDHM CCc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)ccc1[O-] ZINC000291832170 328266542 /nfs/dbraw/zinc/26/65/42/328266542.db2.gz DULCZKLFMUIDHZ-HNNXBMFYSA-N -1 3 286.375 3.157 20 30 CGEDHM C=C(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000451800443 331042498 /nfs/dbraw/zinc/04/24/98/331042498.db2.gz CQULLYUEOVBNHB-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM C=CCN(Cc1ccccc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000255493635 326984440 /nfs/dbraw/zinc/98/44/40/326984440.db2.gz BJSBIFRWKMCPEW-HJWRWDBZSA-N -1 3 294.354 3.015 20 30 CGEDHM C=CC(C)(C)CNCc1cccc([O-])c1Br ZINC000315579264 330477683 /nfs/dbraw/zinc/47/76/83/330477683.db2.gz MHWBOPKCOXIDBD-UHFFFAOYSA-N -1 3 284.197 3.457 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000431187570 330581549 /nfs/dbraw/zinc/58/15/49/330581549.db2.gz PTLPBOMLETYDAZ-UHFFFAOYSA-N -1 3 294.401 3.128 20 30 CGEDHM CCc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c([O-])c1 ZINC000436798226 330685527 /nfs/dbraw/zinc/68/55/27/330685527.db2.gz KRMXFANQAOMAEK-OAHLLOKOSA-N -1 3 298.317 3.088 20 30 CGEDHM C=CCN(CCc1ccccc1)C(=O)c1ccccc1[O-] ZINC000194736170 331035355 /nfs/dbraw/zinc/03/53/55/331035355.db2.gz KRRKAAYXVSSPGB-UHFFFAOYSA-N -1 3 281.355 3.263 20 30 CGEDHM C#C[C@@H]([N-]C(=O)CC(F)(F)F)c1ccc(Cl)cc1F ZINC000491181268 332161672 /nfs/dbraw/zinc/16/16/72/332161672.db2.gz RRUBSHOTLPYTDE-SNVBAGLBSA-N -1 3 293.647 3.222 20 30 CGEDHM C#C[C@H](C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000491253121 332174706 /nfs/dbraw/zinc/17/47/06/332174706.db2.gz LXWKJFDLQUBYQC-ZDUSSCGKSA-N -1 3 295.338 3.278 20 30 CGEDHM C=C[C@@H](C)ON=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000496903276 332564006 /nfs/dbraw/zinc/56/40/06/332564006.db2.gz QLCXIGLFZNHKNQ-SECBINFHSA-N -1 3 297.380 3.415 20 30 CGEDHM C=CC1CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC000568758697 334839534 /nfs/dbraw/zinc/83/95/34/334839534.db2.gz PGVBCTVBBSHCHB-UHFFFAOYSA-N -1 3 279.767 3.436 20 30 CGEDHM CC(C)CC1(CNC(=O)c2csc(=O)[n-]2)CCC1 ZINC000329988052 527689410 /nfs/dbraw/zinc/68/94/10/527689410.db2.gz TXNLJOZOZKWSNH-UHFFFAOYSA-N -1 3 268.382 3.370 20 30 CGEDHM CC(C)c1cccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000354506756 528162072 /nfs/dbraw/zinc/16/20/72/528162072.db2.gz IOTMUJOIYFSPBZ-GFCCVEGCSA-N -1 3 265.316 3.090 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cccc(O)c2)ccc1[O-] ZINC000728232053 571797371 /nfs/dbraw/zinc/79/73/71/571797371.db2.gz RQKFBVUAVHMILN-FNORWQNLSA-N -1 3 254.285 3.302 20 30 CGEDHM Cc1ccc([O-])c(CN=Nc2nccc3sccc32)n1 ZINC000728781447 571820787 /nfs/dbraw/zinc/82/07/87/571820787.db2.gz VUIFAHWTJVVWMJ-UHFFFAOYSA-N -1 3 284.344 3.151 20 30 CGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@@H](C(C)C)C2)c1[O-] ZINC000728785548 571822041 /nfs/dbraw/zinc/82/20/41/571822041.db2.gz KLXIIXIEIFETQJ-ULZILONCSA-N -1 3 290.407 3.222 20 30 CGEDHM Cc1cccc2c1CC[C@@H]2/N=C/c1c([O-])c(C)ncc1CO ZINC000729641409 571926371 /nfs/dbraw/zinc/92/63/71/571926371.db2.gz HMTFERAOMMSFAI-WZIKDTQPSA-N -1 3 296.370 3.003 20 30 CGEDHM Cc1cccc2c1CC[C@H]2/N=C\c1ccc(O)c([O-])c1O ZINC000729641089 571926520 /nfs/dbraw/zinc/92/65/20/571926520.db2.gz BOTAMVFAYKSSIT-BBSXFRJVSA-N -1 3 283.327 3.218 20 30 CGEDHM Cc1ccc(C[C@H](C)/N=C/c2ccc(O)c([O-])c2O)c(C)c1 ZINC000731155580 572398152 /nfs/dbraw/zinc/39/81/52/572398152.db2.gz LMMFAACFURBSHE-UZPSYVQNSA-N -1 3 299.370 3.470 20 30 CGEDHM N#CCC1(COC(=O)c2cc3ccsc3[n-]2)CC1 ZINC000744276340 572427346 /nfs/dbraw/zinc/42/73/46/572427346.db2.gz RRGKVRLPMDVVGI-UHFFFAOYSA-N -1 3 260.318 3.080 20 30 CGEDHM CCOc1ccc(C=NNc2cccc(OC)c2)c([O-])c1 ZINC000725853104 572446075 /nfs/dbraw/zinc/44/60/75/572446075.db2.gz FEMYNUPLOZKQHX-UHFFFAOYSA-N -1 3 286.331 3.246 20 30 CGEDHM COc1cccc([O-])c1/C=N\CCc1ccc(F)cc1F ZINC000732621957 572473833 /nfs/dbraw/zinc/47/38/33/572473833.db2.gz MDORBCKKCBOAJK-GRSHGNNSSA-N -1 3 291.297 3.341 20 30 CGEDHM C[C@@H]1CC[C@H](/N=C/c2ccc(O)c([O-])c2O)[C@@H](C)C1 ZINC000733080846 572507072 /nfs/dbraw/zinc/50/70/72/572507072.db2.gz DAIYJDLRBPPLCZ-XIOJRIKGSA-N -1 3 263.337 3.047 20 30 CGEDHM N#Cc1ccc(/C=C2/CCc3c([O-])cccc3C2=O)cc1 ZINC000742434568 572582518 /nfs/dbraw/zinc/58/25/18/572582518.db2.gz KCPDXZXPPZLXCA-UVTDQMKNSA-N -1 3 275.307 3.476 20 30 CGEDHM CCOc1ccc(/C=N\Cc2cc(C#N)ccc2F)c([O-])c1 ZINC000743042639 572635701 /nfs/dbraw/zinc/63/57/01/572635701.db2.gz MUAOJHMLAUMVRV-JMIUGGIZSA-N -1 3 298.317 3.421 20 30 CGEDHM C=CCCCCCN(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735408181 572719771 /nfs/dbraw/zinc/71/97/71/572719771.db2.gz GZRBDUYOQQJSHF-UHFFFAOYSA-N -1 3 271.368 3.049 20 30 CGEDHM C=CCCCCCN(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735408181 572719772 /nfs/dbraw/zinc/71/97/72/572719772.db2.gz GZRBDUYOQQJSHF-UHFFFAOYSA-N -1 3 271.368 3.049 20 30 CGEDHM CCOc1ccc(/C=N/[C@@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC000745976962 572846036 /nfs/dbraw/zinc/84/60/36/572846036.db2.gz POPHAPQJZXUQNF-NOPJKMJJSA-N -1 3 291.391 3.413 20 30 CGEDHM CCOc1ccc(/C=N/[C@H]2CCCSC2)c([O-])c1 ZINC000749007571 572988175 /nfs/dbraw/zinc/98/81/75/572988175.db2.gz JKIIEUKMMOGTOG-DGGAMASNSA-N -1 3 265.378 3.105 20 30 CGEDHM C[C@@H]1CCC[C@H](C)N1Cc1cccc(C(=O)[O-])c1C#N ZINC000833609361 604609493 /nfs/dbraw/zinc/60/94/93/604609493.db2.gz GJGIXQUPMAFLFD-TXEJJXNPSA-N -1 3 272.348 3.019 20 30 CGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822345763 606389273 /nfs/dbraw/zinc/38/92/73/606389273.db2.gz QXEWIOIDHUECBP-SOFGYWHQSA-N -1 3 296.355 3.133 20 30 CGEDHM C=CCCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823894207 608588191 /nfs/dbraw/zinc/58/81/91/608588191.db2.gz KBGSFYXVGIWFKB-LLVKDONJSA-N -1 3 257.341 3.023 20 30 CGEDHM N#Cc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cs1 ZINC000900047045 620751875 /nfs/dbraw/zinc/75/18/75/620751875.db2.gz ANTBIEPZRKKKDY-CABCVRRESA-N -1 3 298.367 3.023 20 30 CGEDHM O=C(c1ccccn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096963 620762432 /nfs/dbraw/zinc/76/24/32/620762432.db2.gz WYFDIAORLKOOBL-UHFFFAOYSA-N -1 3 297.141 3.420 20 30 CGEDHM C=CC(C)(C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000891266699 618068894 /nfs/dbraw/zinc/06/88/94/618068894.db2.gz SZNPKNCKCQZFER-UHFFFAOYSA-N -1 3 273.254 3.105 20 30 CGEDHM COc1cc(C(=O)/C=C\c2cccnc2C)c(OC)cc1[O-] ZINC000255381066 618244671 /nfs/dbraw/zinc/24/46/71/618244671.db2.gz SWKSMYULHSBOLS-SREVYHEPSA-N -1 3 299.326 3.009 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2cccc(C(F)F)c2)c1O ZINC000255548921 618666177 /nfs/dbraw/zinc/66/61/77/618666177.db2.gz IMJBQOHEXTULJV-UHFFFAOYSA-N -1 3 279.242 3.492 20 30 CGEDHM C[C@@H](NCC1(C#N)CCCC1)c1cc([O-])cc(F)c1 ZINC000926874871 618960725 /nfs/dbraw/zinc/96/07/25/618960725.db2.gz VEEBCPIEZNVAQH-LLVKDONJSA-N -1 3 262.328 3.266 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccccn1 ZINC000005227358 619238663 /nfs/dbraw/zinc/23/86/63/619238663.db2.gz WWRNUVBIGCWLQQ-OVCLIPMQSA-N -1 3 291.148 3.169 20 30 CGEDHM CC(=NN[C@@H](C)C(C)(C)C)c1ccc([O-])cc1F ZINC000793113884 619679750 /nfs/dbraw/zinc/67/97/50/619679750.db2.gz HQORDGGMAINZTI-JTQLQIEISA-N -1 3 252.333 3.280 20 30 CGEDHM CCC[C@H](C/N=C/c1cc(Cl)ccc1[O-])OC ZINC000840706842 620085840 /nfs/dbraw/zinc/08/58/40/620085840.db2.gz LHIFFWGSJRJTEP-AZZDOICSSA-N -1 3 255.745 3.280 20 30 CGEDHM O=C(C1=Cc2ccccc2OC1)N([O-])Cc1ccc(F)cc1 ZINC000901375489 620868051 /nfs/dbraw/zinc/86/80/51/620868051.db2.gz GKQPMPHGRLWUGF-UHFFFAOYSA-N -1 3 299.301 3.020 20 30 CGEDHM Cn1c(C(=O)N([O-])Cc2ccc(F)cc2)cc2ccccc21 ZINC000901376401 620868719 /nfs/dbraw/zinc/86/87/19/620868719.db2.gz RZNBQLGULDKXPC-UHFFFAOYSA-N -1 3 298.317 3.349 20 30 CGEDHM C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC000901908203 621066170 /nfs/dbraw/zinc/06/61/70/621066170.db2.gz QNEUNKRETFCFFB-HBNTYKKESA-N 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PSMIOYUMHFUYRL-UHFFFAOYSA-N -1 3 299.779 3.053 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000904212332 621890646 /nfs/dbraw/zinc/89/06/46/621890646.db2.gz OPUAGDOVDLNSFP-MNOVXSKESA-N -1 3 253.367 3.178 20 30 CGEDHM CC(=NNCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000769825329 625577171 /nfs/dbraw/zinc/57/71/71/625577171.db2.gz QRSJGCHXCCSFDX-UHFFFAOYSA-N -1 3 282.265 3.421 20 30 CGEDHM CCCCCNC(=S)NN=Cc1cc(Cl)ccc1[O-] ZINC000916360659 624152182 /nfs/dbraw/zinc/15/21/82/624152182.db2.gz DBVVXSFHYYITKX-UHFFFAOYSA-N -1 3 299.827 3.034 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCCCO1 ZINC000920386992 624489759 /nfs/dbraw/zinc/48/97/59/624489759.db2.gz JDJIDAMXKQQQAU-AZZDOICSSA-N -1 3 253.729 3.034 20 30 CGEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC1CCCC1 ZINC000175066147 624611122 /nfs/dbraw/zinc/61/11/22/624611122.db2.gz AADOZZADBRLKKI-VJCPFXPRSA-N -1 3 295.766 3.339 20 30 CGEDHM N#CCCCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751734093 626402596 /nfs/dbraw/zinc/40/25/96/626402596.db2.gz HQCGYSAAJSFVRY-UHFFFAOYSA-N -1 3 271.675 3.035 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=C3CC[C@H](C)C3)nc1-2 ZINC000753809902 626466734 /nfs/dbraw/zinc/46/67/34/626466734.db2.gz MGAIZJFELSFAIX-VIWYGSGWSA-N -1 3 294.358 3.189 20 30 CGEDHM CCOc1cc(C=NN[C@@H](C)CC)cc(Cl)c1[O-] ZINC000790184255 626600007 /nfs/dbraw/zinc/60/00/07/626600007.db2.gz SYZDGOARHAYDMA-VIFPVBQESA-N -1 3 270.760 3.166 20 30 CGEDHM Cc1nnc([C@H](C)/N=C\c2cc(Cl)ccc2[O-])s1 ZINC000758814757 626860831 /nfs/dbraw/zinc/86/08/31/626860831.db2.gz IDOKHUKQESILEZ-LCMBMATOSA-N -1 3 281.768 3.386 20 30 CGEDHM C=C(C)COc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000764442350 627208052 /nfs/dbraw/zinc/20/80/52/627208052.db2.gz OTZMSHIRPXCOCU-ALCCZGGFSA-N -1 3 298.342 3.316 20 30 CGEDHM CCC(CC)CNN=C(C)c1ccc([O-])cc1F ZINC000774477444 627996214 /nfs/dbraw/zinc/99/62/14/627996214.db2.gz WZFWWKUQNCRWKB-UHFFFAOYSA-N -1 3 252.333 3.281 20 30 CGEDHM N#Cc1ccccc1COC(=O)c1cccc(Cl)c1[O-] ZINC000775931445 628150529 /nfs/dbraw/zinc/15/05/29/628150529.db2.gz XVKXJZODAKKLNP-UHFFFAOYSA-N -1 3 287.702 3.274 20 30 CGEDHM CC(=NNc1ccc2n[nH]cc2c1)c1ccc([O-])cc1F ZINC000779818592 628435473 /nfs/dbraw/zinc/43/54/73/628435473.db2.gz LIUKWRKUVCSMRK-UHFFFAOYSA-N -1 3 284.294 3.244 20 30 CGEDHM COc1ccc(NN=C(C)c2cc(Cl)ccc2[O-])nc1 ZINC000780270692 628474815 /nfs/dbraw/zinc/47/48/15/628474815.db2.gz KYJZXJKWNIGFSR-UHFFFAOYSA-N -1 3 291.738 3.285 20 30 CGEDHM C=CCOc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780909015 628523552 /nfs/dbraw/zinc/52/35/52/628523552.db2.gz XXBYSMMBUUNGAU-UHFFFAOYSA-N -1 3 299.326 3.223 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/CC[C@@H]1CCOC1 ZINC000783685333 628739109 /nfs/dbraw/zinc/73/91/09/628739109.db2.gz MMJVULRSBZQFGE-XBLUXWHVSA-N -1 3 298.180 3.000 20 30 CGEDHM COCC(C)(C)CN=Nc1nc2ccccc2[n-]c1=S ZINC000863124704 629480610 /nfs/dbraw/zinc/48/06/10/629480610.db2.gz AUIXXTHLAAAWTM-UHFFFAOYSA-N -1 3 290.392 3.363 20 30 CGEDHM CO[C@H](C)C(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128939 629481550 /nfs/dbraw/zinc/48/15/50/629481550.db2.gz RQEQKUHKZZUSJO-SECBINFHSA-N -1 3 276.365 3.115 20 30 CGEDHM CS[C@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000864346858 629814464 /nfs/dbraw/zinc/81/44/64/629814464.db2.gz FRIMLIGOMKCNHF-UCENCCDJSA-N -1 3 255.770 3.359 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1C[C@H]1C(F)(F)F ZINC000864346936 629815359 /nfs/dbraw/zinc/81/53/59/629815359.db2.gz HHZOEGNZFYYDAV-QGDUROMISA-N -1 3 263.646 3.415 20 30 CGEDHM C=C(C)C[C@@H](NCc1c(F)cc(C)cc1Cl)C(=O)[O-] ZINC000864530018 629856423 /nfs/dbraw/zinc/85/64/23/629856423.db2.gz QRRNEKQEIRQWSQ-CYBMUJFWSA-N -1 3 285.746 3.297 20 30 CGEDHM C#C[C@@H](/N=C\c1cc(Br)ccc1[O-])C(C)C ZINC000798344079 630047425 /nfs/dbraw/zinc/04/74/25/630047425.db2.gz ZAWFTBZAGXDXQP-PWDRSIHYSA-N -1 3 280.165 3.231 20 30 CGEDHM COc1cc(C=NNCC2CCCC2)cc(Cl)c1[O-] ZINC000808005367 630616469 /nfs/dbraw/zinc/61/64/69/630616469.db2.gz CGBFMVXNSRZLHJ-UHFFFAOYSA-N -1 3 282.771 3.168 20 30 CGEDHM COc1cc(C(=O)/C=C/c2cccc(F)c2C#N)ccc1[O-] ZINC000811688420 631109696 /nfs/dbraw/zinc/10/96/96/631109696.db2.gz XFQRIKKYNZUPIA-FNORWQNLSA-N -1 3 297.285 3.308 20 30 CGEDHM CC1(C)C[C@@H](NN=Cc2ccc3ccccc3c2[O-])CCO1 ZINC000814908464 631675377 /nfs/dbraw/zinc/67/53/77/631675377.db2.gz PQLYJDXKWHFIOX-HNNXBMFYSA-N -1 3 298.386 3.427 20 30 CGEDHM CCOc1ccc(NN=Cc2ccc([O-])c(F)c2)cc1 ZINC000814983088 631701808 /nfs/dbraw/zinc/70/18/08/631701808.db2.gz BZOKNOQVOYSRLM-UHFFFAOYSA-N -1 3 274.295 3.376 20 30 CGEDHM C#C[C@H]([N-]C(=O)C(F)(F)CC=C)c1ccc(Cl)cc1 ZINC000816778476 632049532 /nfs/dbraw/zinc/04/95/32/632049532.db2.gz AJLNWDCXFRFXTC-LBPRGKRZSA-N -1 3 283.705 3.342 20 30 CGEDHM CCc1nc(CN[C@@H](C)c2cccc(C#N)c2[O-])cs1 ZINC000866263387 633050732 /nfs/dbraw/zinc/05/07/32/633050732.db2.gz PCCUOTSNYQGNTA-JTQLQIEISA-N -1 3 287.388 3.134 20 30 CGEDHM C[C@@H]1CCCC[C@H]1CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824939917 633307662 /nfs/dbraw/zinc/30/76/62/633307662.db2.gz XZVTZGRZTXSBNP-YPMHNXCESA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@@H]1CCCC[C@H]1CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824939917 633307666 /nfs/dbraw/zinc/30/76/66/633307666.db2.gz XZVTZGRZTXSBNP-YPMHNXCESA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000122896704 633528288 /nfs/dbraw/zinc/52/82/88/633528288.db2.gz YRTKIGNGNNKRJE-VCBXAZPMSA-N -1 3 267.756 3.280 20 30 CGEDHM CC1(C)OCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000840706080 635037996 /nfs/dbraw/zinc/03/79/96/635037996.db2.gz HBWPJLSVYQUDET-PWDRSIHYSA-N -1 3 298.180 3.141 20 30 CGEDHM COCC[C@@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000840710939 635039930 /nfs/dbraw/zinc/03/99/30/635039930.db2.gz NOXREJZDWWCPHX-KXUVPBGPSA-N -1 3 255.745 3.137 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000846548472 636198775 /nfs/dbraw/zinc/19/87/75/636198775.db2.gz KBETWZFHPVAPSC-KPPDAEKUSA-N -1 3 279.302 3.368 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000846554781 636202113 /nfs/dbraw/zinc/20/21/13/636202113.db2.gz ORSYVCRPYFPNNT-AMFGXWJMSA-N -1 3 291.313 3.223 20 30 CGEDHM CCO[C@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000849170078 636761558 /nfs/dbraw/zinc/76/15/58/636761558.db2.gz KSMFZZJFXHAWGI-KRDHVXDDSA-N -1 3 253.729 3.032 20 30 CGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccnc1 ZINC000007333188 636997072 /nfs/dbraw/zinc/99/70/72/636997072.db2.gz ZEDQQLMSRCGPSD-FKVCUQLRSA-N -1 3 269.275 3.310 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1c[nH]c2c1cccc2C ZINC000856031863 638286856 /nfs/dbraw/zinc/28/68/56/638286856.db2.gz DSHRFXAHFCHXBH-UHFFFAOYSA-N -1 3 272.348 3.033 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000856031897 638287081 /nfs/dbraw/zinc/28/70/81/638287081.db2.gz BSLRWYWDKRJVCA-UHFFFAOYSA-N -1 3 272.348 3.033 20 30 CGEDHM N#Cc1cc([O-])ccc1-c1ncccc1N1CCCCC1 ZINC000857832963 638573010 /nfs/dbraw/zinc/57/30/10/638573010.db2.gz FLVOPNKICJRKRN-UHFFFAOYSA-N -1 3 279.343 3.316 20 30 CGEDHM C[C@@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)c2ccccc2)C1 ZINC000116811441 639160224 /nfs/dbraw/zinc/16/02/24/639160224.db2.gz QGTJVRLXQWFSNG-IUODEOHRSA-N -1 3 292.329 3.367 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000862133214 639649839 /nfs/dbraw/zinc/64/98/39/639649839.db2.gz VCCQHLRAJWRYMV-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM CCc1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000041493132 639903908 /nfs/dbraw/zinc/90/39/08/639903908.db2.gz ZACSYWNWJOHDNB-NSHDSACASA-N -1 3 256.330 3.196 20 30 CGEDHM COC(=O)CCCCC/N=C/c1cc(Cl)ccc1[O-] ZINC000194863319 640558589 /nfs/dbraw/zinc/55/85/89/640558589.db2.gz QQNBZSIYPSFLRW-MHWRWJLKSA-N -1 3 283.755 3.198 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000092895018 640750262 /nfs/dbraw/zinc/75/02/62/640750262.db2.gz AERIMMGFZDOEIG-UHFFFAOYSA-N -1 3 255.317 3.006 20 30 CGEDHM N#Cc1ccc([O-])c(-c2nc3c([nH]2)c(F)c(F)cc3F)c1 ZINC001251180179 805859536 /nfs/dbraw/zinc/85/95/36/805859536.db2.gz HKNNLZXMCKCJPH-UHFFFAOYSA-N -1 3 289.216 3.224 20 30 CGEDHM C=C(C)c1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC001158609971 805974779 /nfs/dbraw/zinc/97/47/79/805974779.db2.gz KNXXDOWSNGPXGA-UHFFFAOYSA-N -1 3 296.305 3.382 20 30 CGEDHM Cc1ccc(C(=O)N(O)Cc2ccccc2Cl)c([O-])c1 ZINC001161802297 806456840 /nfs/dbraw/zinc/45/68/40/806456840.db2.gz PTCCDWPXNNXICL-UHFFFAOYSA-N -1 3 291.734 3.386 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001161826962 806466133 /nfs/dbraw/zinc/46/61/33/806466133.db2.gz QWAGSOSDQROJEI-CQSZACIVSA-N -1 3 297.782 3.442 20 30 CGEDHM O=C(C1=COCCC1)N([O-])Cc1cccc2ccccc21 ZINC001161842294 806470008 /nfs/dbraw/zinc/47/00/08/806470008.db2.gz AABGWKBNBREOJS-UHFFFAOYSA-N -1 3 283.327 3.252 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001164415230 806945375 /nfs/dbraw/zinc/94/53/75/806945375.db2.gz ZELULVYSGZZVTA-BNOWGMLFSA-N -1 3 259.349 3.049 20 30 CGEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1ccoc1C1CC1 ZINC001123234626 802920493 /nfs/dbraw/zinc/92/04/93/802920493.db2.gz YTYYZKCPBVRDPO-JTQLQIEISA-N -1 3 289.722 3.034 20 30 CGEDHM N#Cc1ccc(F)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001244558508 803438109 /nfs/dbraw/zinc/43/81/09/803438109.db2.gz QISDGWUJNYYMMU-UHFFFAOYSA-N -1 3 299.252 3.462 20 30 CGEDHM N#Cc1c[nH]c2nccc(-c3ccc([O-])cc3Cl)c12 ZINC001245081395 803636310 /nfs/dbraw/zinc/63/63/10/803636310.db2.gz FIVOOMACVYYFSW-UHFFFAOYSA-N -1 3 269.691 3.412 20 30 CGEDHM CC(C)Oc1ncc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001245262938 803683679 /nfs/dbraw/zinc/68/36/79/803683679.db2.gz KOHUJTSNCAVRAR-CYVLTUHYSA-N -1 3 283.331 3.055 20 30 CGEDHM N#Cc1cn(-c2ccc([O-])c(F)c2F)c2cc(N)ccc12 ZINC001212013718 814966719 /nfs/dbraw/zinc/96/67/19/814966719.db2.gz GKDTYFULIUWTJL-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM CCCN(CCC#N)Cc1c([O-])cccc1Cl ZINC001140345226 804419830 /nfs/dbraw/zinc/41/98/30/804419830.db2.gz QHSPWDPRBMXNGF-UHFFFAOYSA-N -1 3 252.745 3.171 20 30 CGEDHM CCCN(CCC#N)Cc1cccc([O-])c1Br ZINC001140548082 804457654 /nfs/dbraw/zinc/45/76/54/804457654.db2.gz DALSXCNRLNUJAH-UHFFFAOYSA-N -1 3 297.196 3.280 20 30 CGEDHM N#C[C@@H]1C[C@H](F)CN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142118553 804696218 /nfs/dbraw/zinc/69/62/18/804696218.db2.gz QJLYJABWDSNBQZ-YUMQZZPRSA-N -1 3 289.137 3.135 20 30 CGEDHM C=CCN(Cc1cc(F)c([O-])cc1F)C(C)(C)C ZINC001144663501 805027943 /nfs/dbraw/zinc/02/79/43/805027943.db2.gz FKNHSWMIYXDDFG-UHFFFAOYSA-N -1 3 255.308 3.457 20 30 CGEDHM C=CCOc1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001148463829 805183326 /nfs/dbraw/zinc/18/33/26/805183326.db2.gz QKKCIQQGYPSMMP-UHFFFAOYSA-N -1 3 287.290 3.348 20 30 CGEDHM CC(C)Cc1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC001263304398 807945756 /nfs/dbraw/zinc/94/57/56/807945756.db2.gz AXACEJWOCWJSCO-NSHDSACASA-N -1 3 285.372 3.227 20 30 CGEDHM CCCCCCC[C@@H](CC)Nc1cnc(C)[n-]c1=O ZINC001172355330 808250819 /nfs/dbraw/zinc/25/08/19/808250819.db2.gz AXMDICUNWQKMAB-ZIAGYGMSSA-N -1 3 265.401 3.113 20 30 CGEDHM COc1ccc(OC)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001173919769 808760779 /nfs/dbraw/zinc/76/07/79/808760779.db2.gz NWKKLOFSLSXMBQ-UHFFFAOYSA-N -1 3 270.288 3.025 20 30 CGEDHM COc1cc(C#N)cc(Nc2ccc([O-])c(F)c2)c1 ZINC001174739243 809147875 /nfs/dbraw/zinc/14/78/75/809147875.db2.gz SAHIKGAKVMNOAS-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1ncc(F)cc1Nc1cc([O-])cc(Cl)c1 ZINC001176624927 809733772 /nfs/dbraw/zinc/73/37/72/809733772.db2.gz ASVKQNZEUZVQNK-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM C=C(C)c1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC001180114668 809975294 /nfs/dbraw/zinc/97/52/94/809975294.db2.gz DASQAPQDMYVWHZ-UHFFFAOYSA-N -1 3 278.315 3.243 20 30 CGEDHM N#Cc1cc(NC(=O)CCC(F)=C(F)F)ccc1[O-] ZINC001180278049 809988842 /nfs/dbraw/zinc/98/88/42/809988842.db2.gz WPKBKGUKVRVJRR-UHFFFAOYSA-N -1 3 270.210 3.060 20 30 CGEDHM N#Cc1cc(NC(=O)C2CC3(C2)CC(F)(F)C3)ccc1[O-] ZINC001184202063 810182138 /nfs/dbraw/zinc/18/21/38/810182138.db2.gz GJSZRAZFYCHWGQ-UHFFFAOYSA-N -1 3 292.285 3.028 20 30 CGEDHM O=C([C@@H]1C[C@H]1C1CCC1)N([O-])Cc1ccccc1Cl ZINC001184284071 810189209 /nfs/dbraw/zinc/18/92/09/810189209.db2.gz YDLDGXWBXQGULU-QWHCGFSZSA-N -1 3 279.767 3.494 20 30 CGEDHM CCCCCCN([O-])C(=O)CSC[C@H]1CCCCO1 ZINC001184305376 810190185 /nfs/dbraw/zinc/19/01/85/810190185.db2.gz IAOFCADICWKUAW-CYBMUJFWSA-N -1 3 289.441 3.087 20 30 CGEDHM CCCCCCCNC(=O)Nc1nc(C)ccc1[O-] ZINC001191084871 810673128 /nfs/dbraw/zinc/67/31/28/810673128.db2.gz ZTFOYYULLHCKKL-UHFFFAOYSA-N -1 3 265.357 3.188 20 30 CGEDHM CCCCCCC[C@@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC001195835276 811296023 /nfs/dbraw/zinc/29/60/23/811296023.db2.gz KITRJFOFCVVHGD-CYBMUJFWSA-N -1 3 299.436 3.420 20 30 CGEDHM CC(C)(C)c1noc([N-]c2cnn(C(F)F)c2)c1C#N ZINC001201728932 811950180 /nfs/dbraw/zinc/95/01/80/811950180.db2.gz VMAWOABUTGYJNW-UHFFFAOYSA-N -1 3 281.266 3.179 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc3ccccc3[nH]c2=O)c1 ZINC001201758702 811961809 /nfs/dbraw/zinc/96/18/09/811961809.db2.gz GNOPJQHKXIYTCB-UHFFFAOYSA-N -1 3 277.283 3.261 20 30 CGEDHM CCOc1ccccc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001202148038 812025016 /nfs/dbraw/zinc/02/50/16/812025016.db2.gz PLBYBYNFIVOPKY-UHFFFAOYSA-N -1 3 297.314 3.307 20 30 CGEDHM CCc1cccc(NC(=O)[N-]c2oc(C)nc2C#N)c1 ZINC001202876752 812192908 /nfs/dbraw/zinc/19/29/08/812192908.db2.gz BFXBNFNOGUPTHW-UHFFFAOYSA-N -1 3 270.292 3.061 20 30 CGEDHM CCc1ccc(NC(=O)Nc2ccc([O-])cc2C#N)cc1 ZINC001202944329 812206380 /nfs/dbraw/zinc/20/63/80/812206380.db2.gz QOBMUJDLYGRFJO-UHFFFAOYSA-N -1 3 281.315 3.470 20 30 CGEDHM CN(Cc1cccc(C#N)c1)Cc1cc(F)cc(F)c1[O-] ZINC001205078002 812850091 /nfs/dbraw/zinc/85/00/91/812850091.db2.gz XCMMLVYSTJGZJX-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM COc1ccc(Nc2c(F)ccc(C)c2[O-])cc1C#N ZINC001215740596 815571271 /nfs/dbraw/zinc/57/12/71/815571271.db2.gz LEANTLFLDQAETL-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM N#Cc1ccc([N-]c2snnc2-c2ccccc2)cn1 ZINC001209545881 814080291 /nfs/dbraw/zinc/08/02/91/814080291.db2.gz YXTOMDAPQDIZKU-UHFFFAOYSA-N -1 3 279.328 3.215 20 30 CGEDHM N#Cc1cc(Nc2ccc3c(c2)C(=O)CC3)ccc1[O-] ZINC001210529447 814510549 /nfs/dbraw/zinc/51/05/49/814510549.db2.gz IKTQNEXENUENDG-UHFFFAOYSA-N -1 3 264.284 3.136 20 30 CGEDHM Cc1ccc(C)c(Nc2ccc([O-])c(C#N)c2)c1C#N ZINC001210536783 814513789 /nfs/dbraw/zinc/51/37/89/814513789.db2.gz VQFMTHDOAMOYAF-UHFFFAOYSA-N -1 3 263.300 3.496 20 30 CGEDHM CC#Cc1cncc(Nc2cc([O-])c(F)cc2F)c1 ZINC001211058762 814725862 /nfs/dbraw/zinc/72/58/62/814725862.db2.gz HQVGZJNQQWKXIH-UHFFFAOYSA-N -1 3 260.243 3.180 20 30 CGEDHM CSc1ccc(Nc2cc(C#N)ccc2[O-])c(C)n1 ZINC001215911451 815627720 /nfs/dbraw/zinc/62/77/20/815627720.db2.gz AYBDOSRUSZQWOI-UHFFFAOYSA-N -1 3 271.345 3.433 20 30 CGEDHM CO/N=C/c1cc(-c2ccc(F)c([O-])c2)cc(F)c1F ZINC001243048867 823225424 /nfs/dbraw/zinc/22/54/24/823225424.db2.gz BAGDSJILNPCVPJ-CNHKJKLMSA-N -1 3 281.233 3.457 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCC=CCCC2)[n-]1 ZINC001225469500 817062762 /nfs/dbraw/zinc/06/27/62/817062762.db2.gz LFOZUPWPHYTMMT-LBPRGKRZSA-N -1 3 258.321 3.235 20 30 CGEDHM C=CC[C@H](Oc1nc[n-]c(=O)c1C)c1ccccc1 ZINC001226077297 817268029 /nfs/dbraw/zinc/26/80/29/817268029.db2.gz QIWVOLIGERMCLB-ZDUSSCGKSA-N -1 3 256.305 3.187 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@H]2C[C@@H](OCc3ccccc3)C2)c1 ZINC001227348608 817629643 /nfs/dbraw/zinc/62/96/43/817629643.db2.gz ACVMZXIRXGJEAN-IYBDPMFKSA-N -1 3 295.338 3.390 20 30 CGEDHM C=C(C)C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(=C)C ZINC001227691442 817695386 /nfs/dbraw/zinc/69/53/86/817695386.db2.gz OKKHFYHLPABESS-LLVKDONJSA-N -1 3 288.307 3.156 20 30 CGEDHM C=C(C)C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(=C)C ZINC001227691444 817695850 /nfs/dbraw/zinc/69/58/50/817695850.db2.gz OKKHFYHLPABESS-NSHDSACASA-N -1 3 288.307 3.156 20 30 CGEDHM C#CC[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227941816 817760455 /nfs/dbraw/zinc/76/04/55/817760455.db2.gz XNGMKBNGWQTQLP-GFCCVEGCSA-N -1 3 296.322 3.119 20 30 CGEDHM C#C[C@@H](Oc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227980023 817771590 /nfs/dbraw/zinc/77/15/90/817771590.db2.gz JZPRTBUDGJVKNH-CYBMUJFWSA-N -1 3 259.692 3.194 20 30 CGEDHM C=C[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228687851 817973465 /nfs/dbraw/zinc/97/34/65/817973465.db2.gz CKFLEFSDODBFFU-LBPRGKRZSA-N -1 3 286.287 3.310 20 30 CGEDHM C=C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1 ZINC001228698408 817980032 /nfs/dbraw/zinc/98/00/32/817980032.db2.gz QIIFWAAUKOXNLM-AWEZNQCLSA-N -1 3 278.315 3.173 20 30 CGEDHM C=C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1 ZINC001228698408 817980038 /nfs/dbraw/zinc/98/00/38/817980038.db2.gz QIIFWAAUKOXNLM-AWEZNQCLSA-N -1 3 278.315 3.173 20 30 CGEDHM C=CC[C@H](CCCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698782 817980386 /nfs/dbraw/zinc/98/03/86/817980386.db2.gz SIUUAPNONATWRZ-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM C=CC[C@H](CCCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698782 817980391 /nfs/dbraw/zinc/98/03/91/817980391.db2.gz SIUUAPNONATWRZ-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM C=CC[C@H](CCCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698782 817980396 /nfs/dbraw/zinc/98/03/96/817980396.db2.gz SIUUAPNONATWRZ-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM C#C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228853027 818022457 /nfs/dbraw/zinc/02/24/57/818022457.db2.gz FVWGWTNJWBQHGC-KRWDZBQOSA-N -1 3 278.307 3.274 20 30 CGEDHM N#CCCN(Cc1cccc([O-])c1F)C1CCCC1 ZINC001233051943 818511296 /nfs/dbraw/zinc/51/12/96/818511296.db2.gz CFOXRCOPENCYOR-UHFFFAOYSA-N -1 3 262.328 3.190 20 30 CGEDHM C[C@]1(C#N)CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455542 818623979 /nfs/dbraw/zinc/62/39/79/818623979.db2.gz PCZTYHAKBCHQQU-CYBMUJFWSA-N -1 3 284.281 3.147 20 30 CGEDHM C=C[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497172 818628064 /nfs/dbraw/zinc/62/80/64/818628064.db2.gz FSXIELBOGIUTDY-LURJTMIESA-N -1 3 267.672 3.078 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)CC(C)(C)S ZINC001233807217 818710248 /nfs/dbraw/zinc/71/02/48/818710248.db2.gz PELJOXJJGQTHPJ-KXUVPBGPSA-N -1 3 283.393 3.369 20 30 CGEDHM [O-]c1cccc(OC(C(F)(F)F)C(F)(F)F)c1F ZINC001233868347 818721000 /nfs/dbraw/zinc/72/10/00/818721000.db2.gz QNBWWWUXZDWQSO-UHFFFAOYSA-N -1 3 278.123 3.403 20 30 CGEDHM Cc1ccc([C@@H](C)Oc2cc([O-])cc(C#N)c2)cn1 ZINC001234144060 818789794 /nfs/dbraw/zinc/78/97/94/818789794.db2.gz IQASSNOEZVNFKK-LLVKDONJSA-N -1 3 254.289 3.107 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H](C#N)c2cccc(F)c2)c1 ZINC001234144553 818790115 /nfs/dbraw/zinc/79/01/15/818790115.db2.gz PZWRQKCAXGESBS-HNNXBMFYSA-N -1 3 268.247 3.047 20 30 CGEDHM C#C[C@@H](Oc1c(Cl)ccc([O-])c1F)c1ccncc1 ZINC001234262672 818819733 /nfs/dbraw/zinc/81/97/33/818819733.db2.gz DCPLEFQBWWLMDY-GFCCVEGCSA-N -1 3 277.682 3.333 20 30 CGEDHM N#CC1(c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC001243425187 823401342 /nfs/dbraw/zinc/40/13/42/823401342.db2.gz YNARFHXYMJRKQE-UHFFFAOYSA-N -1 3 287.326 3.089 20 30 CGEDHM N#CC1(c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC001243425187 823401344 /nfs/dbraw/zinc/40/13/44/823401344.db2.gz YNARFHXYMJRKQE-UHFFFAOYSA-N -1 3 287.326 3.089 20 30 CGEDHM N#CC[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127247 819673268 /nfs/dbraw/zinc/67/32/68/819673268.db2.gz XRNRONPHSDWSEI-JTQLQIEISA-N -1 3 282.746 3.310 20 30 CGEDHM C#C[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798641 819844864 /nfs/dbraw/zinc/84/48/64/819844864.db2.gz JSDHGQNAODBEDS-JTQLQIEISA-N -1 3 267.731 3.030 20 30 CGEDHM COC(=O)Cc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001243599169 823461483 /nfs/dbraw/zinc/46/14/83/823461483.db2.gz BGPOVZFMZFOWEL-VCHYOVAHSA-N -1 3 287.290 3.016 20 30 CGEDHM CNc1ccc(-c2ccc(/C(C)=N/[O-])cc2)c(F)n1 ZINC001239436474 820304342 /nfs/dbraw/zinc/30/43/42/820304342.db2.gz NAYAMZIJJNVJEC-GIJQJNRQSA-N -1 3 259.284 3.128 20 30 CGEDHM CC(=O)Nc1cccc(-c2ccccc2C=N[O-])c1 ZINC001239532928 820385462 /nfs/dbraw/zinc/38/54/62/820385462.db2.gz OEBCGHWKMCEGED-UHFFFAOYSA-N -1 3 254.289 3.120 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cc(F)ccc3O)ccc21 ZINC001240698513 821255740 /nfs/dbraw/zinc/25/57/40/821255740.db2.gz NOJNOSMXEGDEEN-VKAVYKQESA-N -1 3 257.264 3.323 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cc(CO)ccc3F)ccc21 ZINC001241154386 821605834 /nfs/dbraw/zinc/60/58/34/821605834.db2.gz ULBMAJMXHZLUDF-VLGSPTGOSA-N -1 3 271.291 3.110 20 30 CGEDHM COc1ncc(C)cc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001241367406 821769232 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C=C(CC)C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001463874803 937682196 /nfs/dbraw/zinc/68/21/96/937682196.db2.gz ZUIMHUMHXXTPJW-UHFFFAOYSA-N -1 3 297.351 3.125 20 30 CGEDHM CCCCCCCC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001472091429 937772525 /nfs/dbraw/zinc/77/25/25/937772525.db2.gz WTMZNRPDCDEDTD-UHFFFAOYSA-N -1 3 295.383 3.274 20 30 CGEDHM CCCCCCCC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001472091429 937772526 /nfs/dbraw/zinc/77/25/26/937772526.db2.gz WTMZNRPDCDEDTD-UHFFFAOYSA-N -1 3 295.383 3.274 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1ccccc1Cl ZINC001472621535 937778504 /nfs/dbraw/zinc/77/85/04/937778504.db2.gz YLAZETLMCPZYIL-SNVBAGLBSA-N -1 3 271.744 3.125 20 30 CGEDHM CC(=NNCc1ccc(F)cc1)c1ccc([O-])cc1F ZINC001333358107 935528837 /nfs/dbraw/zinc/52/88/37/935528837.db2.gz QWENRDKQIIYMKE-UHFFFAOYSA-N -1 3 276.286 3.184 20 30 CGEDHM O=C(CC1CC1)N([O-])Cc1cccc2ccccc21 ZINC001334858334 936119229 /nfs/dbraw/zinc/11/92/29/936119229.db2.gz QVYMWKXFVPSQFU-UHFFFAOYSA-N -1 3 255.317 3.358 20 30 CGEDHM Cc1[nH]c(C#N)cc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC001546343049 938000912 /nfs/dbraw/zinc/00/09/12/938000912.db2.gz BGSXAWYOUGYFMV-UHFFFAOYSA-N -1 3 289.722 3.115 20 30 CGEDHM C#CC(C)(C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001543620301 938140772 /nfs/dbraw/zinc/14/07/72/938140772.db2.gz QMNNAUJCIBRXEQ-UHFFFAOYSA-N -1 3 293.366 3.125 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001559034869 938219374 /nfs/dbraw/zinc/21/93/74/938219374.db2.gz SGPSFLPJCHGXFD-UHFFFAOYSA-N -1 3 292.379 3.078 20 30 CGEDHM C=C[C@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC001569459235 961767367 /nfs/dbraw/zinc/76/73/67/961767367.db2.gz WQGQWFACLSPCKI-ZDUSSCGKSA-N -1 3 293.326 3.177 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1ccc2ccccc2c1 ZINC001586065520 963062643 /nfs/dbraw/zinc/06/26/43/963062643.db2.gz CLKGGFSVXHKRDY-UHFFFAOYSA-N -1 3 269.344 3.396 20 30 CGEDHM C=CC[C@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588558528 963284827 /nfs/dbraw/zinc/28/48/27/963284827.db2.gz AEMBABBGZDWRRW-GXTWGEPZSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588558528 963284834 /nfs/dbraw/zinc/28/48/34/963284834.db2.gz AEMBABBGZDWRRW-GXTWGEPZSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@@H]1CC[C@@H](Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588559095 963288364 /nfs/dbraw/zinc/28/83/64/963288364.db2.gz HDINXRYUBBDXEP-VXGBXAGGSA-N -1 3 299.378 3.032 20 30 CGEDHM C=CC[C@@H]1CC[C@@H](Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588559095 963288371 /nfs/dbraw/zinc/28/83/71/963288371.db2.gz HDINXRYUBBDXEP-VXGBXAGGSA-N -1 3 299.378 3.032 20 30 CGEDHM C=CCN(CCc1ccco1)Cc1csc(C(=O)[O-])c1 ZINC001588829273 963322855 /nfs/dbraw/zinc/32/28/55/963322855.db2.gz NEBNLNWKLABRGR-UHFFFAOYSA-N -1 3 291.372 3.270 20 30 CGEDHM C#CCN(Cc1cc(Cl)c([O-])c(OCC)c1)C1CC1 ZINC000297768868 260134012 /nfs/dbraw/zinc/13/40/12/260134012.db2.gz VMQIVALEVLSKEK-UHFFFAOYSA-N -1 3 279.767 3.042 20 30 CGEDHM N#CCN(Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000050898579 345085482 /nfs/dbraw/zinc/08/54/82/345085482.db2.gz 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ZINC000084407172 287081131 /nfs/dbraw/zinc/08/11/31/287081131.db2.gz XTMKCEUWUJGWQX-UHFFFAOYSA-N -1 3 272.329 3.140 20 30 CGEDHM C=C(C)CN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338811720 262563386 /nfs/dbraw/zinc/56/33/86/262563386.db2.gz DWGJDMQHOIJASO-UHFFFAOYSA-N -1 3 273.254 3.059 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(C(=O)[O-])c1 ZINC000659801495 418994601 /nfs/dbraw/zinc/99/46/01/418994601.db2.gz DVQCUPWKBTYMKB-TXEJJXNPSA-N -1 3 263.362 3.129 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccc(Cl)cc1SC ZINC000656632438 419187039 /nfs/dbraw/zinc/18/70/39/419187039.db2.gz DYCYRSVHCUOGEE-UHFFFAOYSA-N -1 3 291.825 3.380 20 30 CGEDHM C=CC[C@H]1N(Cc2nc(CC)cc(=O)[n-]2)CCCC1(C)C ZINC000444785661 261179690 /nfs/dbraw/zinc/17/96/90/261179690.db2.gz RQDLUQLYKHLICV-CQSZACIVSA-N -1 3 289.423 3.311 20 30 CGEDHM CC(C)C[C@@H]1C[C@@H](/N=C/c2ccccc2[O-])CCO1 ZINC000271955700 263000659 /nfs/dbraw/zinc/00/06/59/263000659.db2.gz SFBUEDJAXCOKEK-FLKQJBRMSA-N -1 3 261.365 3.405 20 30 CGEDHM CC1(C)CCCN(Cc2cc([O-])cc(F)c2)[C@H]1C#N ZINC000278380930 263047780 /nfs/dbraw/zinc/04/77/80/263047780.db2.gz LUCNHVUVMYMLEY-AWEZNQCLSA-N -1 3 262.328 3.045 20 30 CGEDHM C#CCN(CC#N)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000281536929 263070112 /nfs/dbraw/zinc/07/01/12/263070112.db2.gz NBLHHDGQZHTWIN-UHFFFAOYSA-N -1 3 298.386 3.238 20 30 CGEDHM Cc1nn(C(C)C)cc1/C=C1/Cc2cccc([O-])c2C1=O ZINC000295926504 263183902 /nfs/dbraw/zinc/18/39/02/263183902.db2.gz NGQJPZFPFIVKCV-JYRVWZFOSA-N -1 3 282.343 3.300 20 30 CGEDHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC[C@@H](C)C2)c1 ZINC000331231086 264152511 /nfs/dbraw/zinc/15/25/11/264152511.db2.gz IGPSLCLAHVKEAL-ZYHUDNBSSA-N -1 3 290.363 3.091 20 30 CGEDHM C#C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(C)(C)C ZINC000288445464 264666987 /nfs/dbraw/zinc/66/69/87/264666987.db2.gz YUCCDUCFJKSRNR-GFCCVEGCSA-N -1 3 299.292 3.189 20 30 CGEDHM N#Cc1cc(C(=O)Nc2cccc([O-])c2)ccc1Cl ZINC000554484575 289284928 /nfs/dbraw/zinc/28/49/28/289284928.db2.gz SNSBQCORLCNJDN-UHFFFAOYSA-N -1 3 272.691 3.170 20 30 CGEDHM C=C(C)C[C@@H](C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000572814417 328132045 /nfs/dbraw/zinc/13/20/45/328132045.db2.gz VZIWFQBJGWYRGJ-SECBINFHSA-N -1 3 269.308 3.078 20 30 CGEDHM C[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000271193174 328195818 /nfs/dbraw/zinc/19/58/18/328195818.db2.gz GRBDKHZUCDAEGJ-FKTXRZKZSA-N -1 3 298.180 3.141 20 30 CGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(CCC(C)C)cc1 ZINC000562792359 327515373 /nfs/dbraw/zinc/51/53/73/327515373.db2.gz AKASYMMLJCGINL-OAHLLOKOSA-N -1 3 294.420 3.319 20 30 CGEDHM C=C(C)[C@@H](NCc1ncccc1[O-])c1ccc(F)c(F)c1 ZINC000583898706 329530488 /nfs/dbraw/zinc/53/04/88/329530488.db2.gz IDWQWOCKKBGFLX-MRXNPFEDSA-N -1 3 290.313 3.472 20 30 CGEDHM C#C[C@@H](NCc1nc(C)ccc1[O-])c1ccc(Cl)cc1 ZINC000491772275 332338589 /nfs/dbraw/zinc/33/85/89/332338589.db2.gz QGLWUADAVIJELB-CQSZACIVSA-N -1 3 286.762 3.213 20 30 CGEDHM C=C(C)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000492049104 332380544 /nfs/dbraw/zinc/38/05/44/332380544.db2.gz QYBZQMQUQNQFBX-UHFFFAOYSA-N -1 3 294.203 3.156 20 30 CGEDHM C=CCOc1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000553064826 334359552 /nfs/dbraw/zinc/35/95/52/334359552.db2.gz IYGAELNWTIHYAZ-UHFFFAOYSA-N -1 3 297.354 3.195 20 30 CGEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccccc2C#N)n1 ZINC000178253263 534018387 /nfs/dbraw/zinc/01/83/87/534018387.db2.gz YRCNOQAOOOSCPR-JTQLQIEISA-N -1 3 271.345 3.216 20 30 CGEDHM CCc1cccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000530959764 517852801 /nfs/dbraw/zinc/85/28/01/517852801.db2.gz VMIGMKMBICHZDG-GFCCVEGCSA-N -1 3 294.354 3.317 20 30 CGEDHM C=CCN(CCc1ccco1)Cc1c(F)ccc([O-])c1F ZINC000352830441 526325477 /nfs/dbraw/zinc/32/54/77/526325477.db2.gz KBGRFUQLHMAEKY-UHFFFAOYSA-N -1 3 293.313 3.494 20 30 CGEDHM COc1cccc([O-])c1/C=N/CCSC(C)(C)C ZINC000727264957 571734751 /nfs/dbraw/zinc/73/47/51/571734751.db2.gz BLWZRDBZONRSBQ-XNTDXEJSSA-N -1 3 267.394 3.351 20 30 CGEDHM Cc1ccc([O-])c(C=NNc2ccc(OC(F)F)cc2)n1 ZINC000728781197 571820739 /nfs/dbraw/zinc/82/07/39/571820739.db2.gz NZSCUBDEQGMDLH-UHFFFAOYSA-N -1 3 293.273 3.143 20 30 CGEDHM Cc1ccc([O-])c(C=NNc2cccc(Cl)c2F)n1 ZINC000728781188 571820757 /nfs/dbraw/zinc/82/07/57/571820757.db2.gz NWPLTNDYCIHFPU-UHFFFAOYSA-N -1 3 279.702 3.334 20 30 CGEDHM COc1cccc([O-])c1/C=N\Cc1ccc(F)cc1F ZINC000745624131 571941231 /nfs/dbraw/zinc/94/12/31/571941231.db2.gz GLIMARWHUWQBJD-NVMNQCDNSA-N -1 3 277.270 3.298 20 30 CGEDHM CC(=NNc1ccnc2ccccc21)c1cc(F)ccc1[O-] ZINC000730147674 571950987 /nfs/dbraw/zinc/95/09/87/571950987.db2.gz IBHCDGAGYPDZGR-UHFFFAOYSA-N -1 3 295.317 3.338 20 30 CGEDHM Cc1ccc2c(c1)[C@H](/N=C/c1c([O-])c(C)ncc1CO)CC2 ZINC000730147025 571951018 /nfs/dbraw/zinc/95/10/18/571951018.db2.gz JRJVTYXIMBESGF-BSNPHMGVSA-N -1 3 296.370 3.003 20 30 CGEDHM COc1ccc2c(c1)OCC[C@H]2/N=C\c1ccccc1[O-] ZINC000741757085 572523077 /nfs/dbraw/zinc/52/30/77/572523077.db2.gz LOGYSRODJZNPNQ-JQFNYASXSA-N -1 3 283.327 3.344 20 30 CGEDHM C[C@@H]1CCCC[C@H]1CC/N=C/c1ccc(O)c([O-])c1O ZINC000733903657 572611347 /nfs/dbraw/zinc/61/13/47/572611347.db2.gz NWJNPJJNAUVBDC-VGZAMENASA-N -1 3 277.364 3.439 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/[C@H]1CCSC1 ZINC000743043808 572636093 /nfs/dbraw/zinc/63/60/93/572636093.db2.gz AMRMQAVPZXAIFT-RGZVIEDOSA-N -1 3 257.358 3.470 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CC[C@@H](SC)C1 ZINC000743043242 572636142 /nfs/dbraw/zinc/63/61/42/572636142.db2.gz ULALGMAUWRETTC-HQAZHCQUSA-N -1 3 265.378 3.104 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CC[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000734366567 572649831 /nfs/dbraw/zinc/64/98/31/572649831.db2.gz XNXQCYMTKIEHSC-KCELOSIBSA-N -1 3 290.407 3.223 20 30 CGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1nccs1 ZINC000735229407 572708087 /nfs/dbraw/zinc/70/80/87/572708087.db2.gz ZETUBRVSPPXVOQ-QHRPWQPMSA-N -1 3 275.304 3.371 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H](C)CCc1cccn1C ZINC000741845840 572720213 /nfs/dbraw/zinc/72/02/13/572720213.db2.gz WZUOMIGEQLWQOK-HTMJNSLASA-N -1 3 286.375 3.180 20 30 CGEDHM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])co1 ZINC000736108416 572768431 /nfs/dbraw/zinc/76/84/31/572768431.db2.gz DUWXAEWSGSWBTK-UHFFFAOYSA-N -1 3 285.343 3.209 20 30 CGEDHM Cc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1Cl ZINC000745976480 572845664 /nfs/dbraw/zinc/84/56/64/572845664.db2.gz ISQSLAVTYGATDY-UHFFFAOYSA-N -1 3 290.750 3.300 20 30 CGEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCCCCCC1 ZINC000823743062 607253178 /nfs/dbraw/zinc/25/31/78/607253178.db2.gz RSOPCUHZYYDFAI-UHFFFAOYSA-N -1 3 298.394 3.057 20 30 CGEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCCCCCC1 ZINC000823743062 607253179 /nfs/dbraw/zinc/25/31/79/607253179.db2.gz RSOPCUHZYYDFAI-UHFFFAOYSA-N -1 3 298.394 3.057 20 30 CGEDHM C=CC[C@H](NCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000819713258 598203591 /nfs/dbraw/zinc/20/35/91/598203591.db2.gz FOEDHXBEHAVPQY-INIZCTEOSA-N -1 3 282.343 3.187 20 30 CGEDHM CCc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737272540 600727934 /nfs/dbraw/zinc/72/79/34/600727934.db2.gz MFQUZOPELFYLHX-QGZVFWFLSA-N -1 3 294.354 3.036 20 30 CGEDHM CC[C@H](C)[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372181 620866645 /nfs/dbraw/zinc/86/66/45/620866645.db2.gz UCJOHHABXPZCGV-QWRGUYRKSA-N -1 3 253.317 3.226 20 30 CGEDHM O=C([O-])C[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000833207087 601413960 /nfs/dbraw/zinc/41/39/60/601413960.db2.gz HKTWXZBGOZQNBO-HNNXBMFYSA-N -1 3 291.778 3.021 20 30 CGEDHM C[C@@H](C1CC1)N(Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833516238 604605003 /nfs/dbraw/zinc/60/50/03/604605003.db2.gz SYGOALZKXVHPBT-NSHDSACASA-N -1 3 284.359 3.019 20 30 CGEDHM C[C@@H]1CCC[C@@H](C)N1Cc1cccc(C(=O)[O-])c1C#N ZINC000833609362 604610439 /nfs/dbraw/zinc/61/04/39/604610439.db2.gz GJGIXQUPMAFLFD-VXGBXAGGSA-N -1 3 272.348 3.019 20 30 CGEDHM C#C[C@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000890653491 617732571 /nfs/dbraw/zinc/73/25/71/617732571.db2.gz LONHCQSNVMHWGX-HNNXBMFYSA-N -1 3 279.339 3.173 20 30 CGEDHM CCc1ccc(C(=O)N(O)Cc2ccc(F)cc2)c([O-])c1 ZINC000900095357 620761231 /nfs/dbraw/zinc/76/12/31/620761231.db2.gz ZXLJJHPOMKQZFZ-UHFFFAOYSA-N -1 3 289.306 3.125 20 30 CGEDHM O=C(Cc1cscn1)N([O-])Cc1cccc2ccccc21 ZINC000900091618 620761527 /nfs/dbraw/zinc/76/15/27/620761527.db2.gz DLKAUSBBSBOQPM-UHFFFAOYSA-N -1 3 298.367 3.257 20 30 CGEDHM N#CC1(C(=O)Nc2ccc(Cl)cc2[O-])CCSCC1 ZINC000935101007 618726453 /nfs/dbraw/zinc/72/64/53/618726453.db2.gz RYPYUVRQTFKHJU-UHFFFAOYSA-N -1 3 296.779 3.021 20 30 CGEDHM C[C@H](NN=Cc1c(F)ccc([O-])c1F)C(C)(C)C ZINC000793115595 619680703 /nfs/dbraw/zinc/68/07/03/619680703.db2.gz NXRPPJUCVPWBEY-QMMMGPOBSA-N -1 3 256.296 3.029 20 30 CGEDHM Cc1cc([O-])c(CN2CCC[C@@H](C#N)C2)cc1Cl ZINC000896500544 620017876 /nfs/dbraw/zinc/01/78/76/620017876.db2.gz HESBJPSNLGJJPQ-NSHDSACASA-N -1 3 264.756 3.090 20 30 CGEDHM Cc1cc([O-])c(CN[C@H](CC#N)C(F)(F)F)c(Cl)c1 ZINC000896696097 620048172 /nfs/dbraw/zinc/04/81/72/620048172.db2.gz GJYJHDSKGYSIPT-LLVKDONJSA-N -1 3 292.688 3.288 20 30 CGEDHM COC1(C/N=C\c2cc(Cl)ccc2[O-])CCCC1 ZINC000840705897 620077431 /nfs/dbraw/zinc/07/74/31/620077431.db2.gz HZWNHUNJSYOZGB-SXGWCWSVSA-N -1 3 267.756 3.424 20 30 CGEDHM CCCCCCCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211370 620488153 /nfs/dbraw/zinc/48/81/53/620488153.db2.gz OHCFKXRFTXWCSY-ZDUSSCGKSA-N -1 3 293.411 3.182 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CC[C@H](C2CC2)O1 ZINC000899231580 620628494 /nfs/dbraw/zinc/62/84/94/620628494.db2.gz RRYFEHNQDYDQMC-ZHKVGQMOSA-N -1 3 279.767 3.422 20 30 CGEDHM C[C@H](CC(F)(F)F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177604 621885616 /nfs/dbraw/zinc/88/56/16/621885616.db2.gz IZZSPNVFQQPHOA-MRVPVSSYSA-N -1 3 279.233 3.132 20 30 CGEDHM O=C([C@H]1CCCCS1)N([O-])Cc1ccccc1Cl ZINC000904191130 621886890 /nfs/dbraw/zinc/88/68/90/621886890.db2.gz UNXKAIQXHQPCNZ-GFCCVEGCSA-N -1 3 285.796 3.344 20 30 CGEDHM CCCCN([O-])C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000904213263 621890664 /nfs/dbraw/zinc/89/06/64/621890664.db2.gz MTNMHTKECJDSCR-CQSZACIVSA-N -1 3 260.337 3.092 20 30 CGEDHM CCc1nc(-c2ccc([O-])cc2C#N)cn1CC1CC1 ZINC000906177652 622170220 /nfs/dbraw/zinc/17/02/20/622170220.db2.gz HWXCLXBCDKBANU-UHFFFAOYSA-N -1 3 267.332 3.100 20 30 CGEDHM CC(C)(C)C[C@@H](O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000172156820 623226581 /nfs/dbraw/zinc/22/65/81/623226581.db2.gz MMISWUZBCDGEMW-GGNJANJASA-N -1 3 269.772 3.262 20 30 CGEDHM CC(C)CN(CCC#N)C(=O)c1cc([O-])ccc1Cl ZINC000232595360 623405416 /nfs/dbraw/zinc/40/54/16/623405416.db2.gz OROLHWUSFBCUOA-UHFFFAOYSA-N -1 3 280.755 3.057 20 30 CGEDHM N#CCCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000914625213 623838235 /nfs/dbraw/zinc/83/82/35/623838235.db2.gz WFKYULOFIYOUQN-UHFFFAOYSA-N -1 3 261.108 3.172 20 30 CGEDHM CC(=NN[C@@H]1CCOC1(C)C)c1ccc2ccccc2c1[O-] ZINC000835014623 623857011 /nfs/dbraw/zinc/85/70/11/623857011.db2.gz JUQIOBUSHRPYOA-MRXNPFEDSA-N -1 3 298.386 3.427 20 30 CGEDHM C[C@@]1(C#N)CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000753586825 626457143 /nfs/dbraw/zinc/45/71/43/626457143.db2.gz JTAGQIZMDGMZID-AWEZNQCLSA-N -1 3 264.756 3.171 20 30 CGEDHM [O-]c1ccc(C=NOCc2ccc(C(F)(F)F)cc2)nc1 ZINC000755804410 626648343 /nfs/dbraw/zinc/64/83/43/626648343.db2.gz MOHJXYRQFBUERJ-UHFFFAOYSA-N -1 3 296.248 3.357 20 30 CGEDHM CC(=NOCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000764839499 627228450 /nfs/dbraw/zinc/22/84/50/627228450.db2.gz HRGHRWXBBXFSOW-UHFFFAOYSA-N -1 3 267.634 3.349 20 30 CGEDHM C=C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000769336958 627543824 /nfs/dbraw/zinc/54/38/24/627543824.db2.gz AILGTKGFRAAODE-UHFFFAOYSA-N -1 3 282.181 3.307 20 30 CGEDHM CCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1C ZINC000769551487 627565095 /nfs/dbraw/zinc/56/50/95/627565095.db2.gz MAPLISFFHSYRPV-UHFFFAOYSA-N -1 3 271.316 3.425 20 30 CGEDHM C=C(CC)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000773176922 627865352 /nfs/dbraw/zinc/86/53/52/627865352.db2.gz BAXMQZQBYZGCQK-UHFFFAOYSA-N -1 3 269.344 3.396 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OC/C=C\c2ccccc2)c1 ZINC000776273607 628187569 /nfs/dbraw/zinc/18/75/69/628187569.db2.gz JNFCRPIDXJCQOV-DAXSKMNVSA-N -1 3 279.295 3.134 20 30 CGEDHM N#C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C1CCCCC1 ZINC000776373276 628199700 /nfs/dbraw/zinc/19/97/00/628199700.db2.gz SOCDNNONZRTFER-OAHLLOKOSA-N -1 3 299.330 3.299 20 30 CGEDHM N#C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C1CCCCC1 ZINC000776373276 628199702 /nfs/dbraw/zinc/19/97/02/628199702.db2.gz SOCDNNONZRTFER-OAHLLOKOSA-N -1 3 299.330 3.299 20 30 CGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(F)nc1 ZINC000777467875 628275117 /nfs/dbraw/zinc/27/51/17/628275117.db2.gz NLMGOVALXWHWMN-VSBFRKNKSA-N -1 3 287.265 3.449 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc(F)nc2C)ccc1[O-] ZINC000782305519 628636978 /nfs/dbraw/zinc/63/69/78/628636978.db2.gz IFMYXYBKQGJQSS-UTCJRWHESA-N -1 3 287.290 3.139 20 30 CGEDHM CC(C)Cc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000791878415 629314532 /nfs/dbraw/zinc/31/45/32/629314532.db2.gz YGTADFZTGDCTOH-HNNXBMFYSA-N -1 3 279.343 3.165 20 30 CGEDHM CCSCCN=Nc1nc2ccccc2[n-]c1=S ZINC000863125426 629480606 /nfs/dbraw/zinc/48/06/06/629480606.db2.gz VULBETOYSAGJBM-UHFFFAOYSA-N -1 3 278.406 3.443 20 30 CGEDHM COCC(N=Nc1nc2ccccc2[n-]c1=S)C(C)C ZINC000863128201 629481492 /nfs/dbraw/zinc/48/14/92/629481492.db2.gz HOGIIQWOLNUODU-UHFFFAOYSA-N -1 3 290.392 3.363 20 30 CGEDHM [O-]c1ccc(F)c(C=NNc2ccc(Cl)nc2)c1F ZINC000794515763 629549166 /nfs/dbraw/zinc/54/91/66/629549166.db2.gz MLHWGNHGAGTJCZ-UHFFFAOYSA-N -1 3 283.665 3.165 20 30 CGEDHM C[C@@H]1CC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000794676663 629564544 /nfs/dbraw/zinc/56/45/44/629564544.db2.gz PNQPPUJORILFTH-QMGANUGASA-N -1 3 268.154 3.372 20 30 CGEDHM N#Cc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)s1 ZINC000794947011 629604659 /nfs/dbraw/zinc/60/46/59/629604659.db2.gz SEUHGXOYBYSEQB-DUXPYHPUSA-N -1 3 291.278 3.500 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1C[C@H]1C(F)(F)F ZINC000864346935 629815195 /nfs/dbraw/zinc/81/51/95/629815195.db2.gz HHZOEGNZFYYDAV-CKQYODEISA-N -1 3 263.646 3.415 20 30 CGEDHM COc1ccccc1CON=Cc1cc(F)ccc1[O-] ZINC000799118470 630146567 /nfs/dbraw/zinc/14/65/67/630146567.db2.gz HSZHTBSNRSGJED-UHFFFAOYSA-N -1 3 275.279 3.091 20 30 CGEDHM CCc1cccc(C)c1NN=Cc1ccc([O-])cn1 ZINC000799494228 630190772 /nfs/dbraw/zinc/19/07/72/630190772.db2.gz FLOPFHSVJAHRAD-UHFFFAOYSA-N -1 3 255.321 3.104 20 30 CGEDHM C=CCCc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000800576941 630293626 /nfs/dbraw/zinc/29/36/26/630293626.db2.gz BJUWMMJFXYYEII-OAHLLOKOSA-N -1 3 290.363 3.385 20 30 CGEDHM C=CCCc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000800576941 630293629 /nfs/dbraw/zinc/29/36/29/630293629.db2.gz BJUWMMJFXYYEII-OAHLLOKOSA-N -1 3 290.363 3.385 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccc[nH]1)c1nccc2ccccc21 ZINC000802226269 630384973 /nfs/dbraw/zinc/38/49/73/630384973.db2.gz JUHZJSMRCZUYCZ-KXPUMZMLSA-N -1 3 287.322 3.453 20 30 CGEDHM C=CCCCCCC/N=C/c1c([O-])c(C)ncc1CO ZINC000804599036 630541881 /nfs/dbraw/zinc/54/18/81/630541881.db2.gz UALHGYLROVMOMY-GZTJUZNOSA-N -1 3 276.380 3.143 20 30 CGEDHM C=CCCCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000811009045 631002006 /nfs/dbraw/zinc/00/20/06/631002006.db2.gz PIVJEIOHCCJYFT-UHFFFAOYSA-N -1 3 260.293 3.183 20 30 CGEDHM C=CCCCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000811009045 631002011 /nfs/dbraw/zinc/00/20/11/631002011.db2.gz PIVJEIOHCCJYFT-UHFFFAOYSA-N -1 3 260.293 3.183 20 30 CGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811187216 631042187 /nfs/dbraw/zinc/04/21/87/631042187.db2.gz MPFUWGWPIWKHFD-NSHDSACASA-N -1 3 267.284 3.182 20 30 CGEDHM COCc1nc(C/N=C/c2cc(Cl)ccc2[O-])cs1 ZINC000811625579 631093187 /nfs/dbraw/zinc/09/31/87/631093187.db2.gz PXSZQHLTUSIHKT-PJQLUOCWSA-N -1 3 296.779 3.268 20 30 CGEDHM C=CCO[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000837044216 634847035 /nfs/dbraw/zinc/84/70/35/634847035.db2.gz KJCBQZVUFLHXLJ-JTQLQIEISA-N -1 3 287.281 3.433 20 30 CGEDHM C=CCO[N-]C(=O)CCCc1csc2ccccc12 ZINC000837047513 634847814 /nfs/dbraw/zinc/84/78/14/634847814.db2.gz GQGYZFBJHWPKHD-UHFFFAOYSA-N -1 3 275.373 3.458 20 30 CGEDHM CSCCON=Cc1ccc2ccccc2c1[O-] ZINC000814921921 631682625 /nfs/dbraw/zinc/68/26/25/631682625.db2.gz KFYGLBCMJBUCLB-UHFFFAOYSA-N -1 3 261.346 3.259 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C(C)C)c(C)s1 ZINC000824267696 633220744 /nfs/dbraw/zinc/22/07/44/633220744.db2.gz HWKLFQIRQBSGLH-QMMMGPOBSA-N -1 3 269.370 3.203 20 30 CGEDHM Cc1cc([O-])c(CN(C)[C@H](C)CC#N)cc1Cl ZINC000824714638 633277853 /nfs/dbraw/zinc/27/78/53/633277853.db2.gz SUESHKGFIWRLOF-SNVBAGLBSA-N -1 3 252.745 3.088 20 30 CGEDHM Cc1cc([O-])c(CNCC2(C#N)CCC2)c(Cl)c1 ZINC000841898878 635250812 /nfs/dbraw/zinc/25/08/12/635250812.db2.gz PVWYWVSZMTUAPH-UHFFFAOYSA-N -1 3 264.756 3.138 20 30 CGEDHM C[C@@H]1SCC[C@@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000843264199 635628439 /nfs/dbraw/zinc/62/84/39/635628439.db2.gz NEILWMMBNOMTEH-BCZIDPNWSA-N -1 3 255.770 3.359 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccc(C(C)C)cc1 ZINC000846551747 636200719 /nfs/dbraw/zinc/20/07/19/636200719.db2.gz WREVFFSTMVYFAT-CYBMUJFWSA-N -1 3 277.364 3.201 20 30 CGEDHM CCc1cc(C(=O)[N-]c2sc(C)c(C)c2C#N)no1 ZINC000887643956 637879832 /nfs/dbraw/zinc/87/98/32/637879832.db2.gz JGHCOMWIIPEAHQ-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM C=C[C@@H](CC(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856348517 638348501 /nfs/dbraw/zinc/34/85/01/638348501.db2.gz IPVARQRICFVYRJ-AWEZNQCLSA-N -1 3 259.349 3.194 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCCOC1 ZINC000193679834 640489105 /nfs/dbraw/zinc/48/91/05/640489105.db2.gz CTNOXCVWRYRGBR-XBLUXWHVSA-N -1 3 298.180 3.000 20 30 CGEDHM COc1ccc2onc(C(=O)[N-]c3ccsc3C#N)c2c1 ZINC001156720476 805727629 /nfs/dbraw/zinc/72/76/29/805727629.db2.gz OXMJUKMDSXWZCI-UHFFFAOYSA-N -1 3 299.311 3.022 20 30 CGEDHM C=CCC[C@H](O)CNc1ccc(Cl)c(Cl)c1[O-] ZINC001252608692 806085933 /nfs/dbraw/zinc/08/59/33/806085933.db2.gz FHGYFGSVBWQIJE-QMMMGPOBSA-N -1 3 276.163 3.438 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC001161826584 806465810 /nfs/dbraw/zinc/46/58/10/806465810.db2.gz GPGAXAMLFXNJIE-UHFFFAOYSA-N -1 3 296.323 3.015 20 30 CGEDHM CCCCN([O-])C(=O)CCSc1ccccc1F ZINC001161827229 806467161 /nfs/dbraw/zinc/46/71/61/806467161.db2.gz YCQYGCOLTRFKRH-UHFFFAOYSA-N -1 3 271.357 3.326 20 30 CGEDHM COc1cc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000210527988 799133085 /nfs/dbraw/zinc/13/30/85/799133085.db2.gz CRAMKQFGRNRZIJ-ALCCZGGFSA-N -1 3 299.282 3.205 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCCOCC1 ZINC000588386989 799685908 /nfs/dbraw/zinc/68/59/08/799685908.db2.gz BPZCKBVPZPCSNC-ZENNRRHLSA-N -1 3 253.729 3.034 20 30 CGEDHM CO[C@](C)(C/N=C\c1cc(Cl)ccc1[O-])C1CC1 ZINC000812445372 800450095 /nfs/dbraw/zinc/45/00/95/800450095.db2.gz WKLZGLSAROOOIY-MEFZMRIGSA-N -1 3 267.756 3.280 20 30 CGEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1ccoc1C1CC1 ZINC001123234627 802920634 /nfs/dbraw/zinc/92/06/34/802920634.db2.gz YTYYZKCPBVRDPO-SNVBAGLBSA-N -1 3 289.722 3.034 20 30 CGEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1coc(C(F)F)c1 ZINC001123337868 802931123 /nfs/dbraw/zinc/93/11/23/802931123.db2.gz VJNQKEQKJNQAEX-SSDOTTSWSA-N -1 3 299.664 3.094 20 30 CGEDHM CCN(C)C(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001206504526 813338604 /nfs/dbraw/zinc/33/86/04/813338604.db2.gz JXEGPDCTTVGOHN-LDADJPATSA-N -1 3 282.343 3.254 20 30 CGEDHM Cc1cc(-c2ccccc2OCC#N)cc([O-])c1F ZINC001244521323 803415589 /nfs/dbraw/zinc/41/55/89/803415589.db2.gz RIRBNBMOYLBRSH-UHFFFAOYSA-N -1 3 257.264 3.409 20 30 CGEDHM C=CCCCCN(C)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249780648 805244348 /nfs/dbraw/zinc/24/43/48/805244348.db2.gz ZQIMEEOOCCGHSM-UHFFFAOYSA-N -1 3 283.318 3.451 20 30 CGEDHM COC(=O)c1ccc([O-])c(Nc2cc(C)ccc2C#N)c1 ZINC001249901230 805290485 /nfs/dbraw/zinc/29/04/85/805290485.db2.gz KNIARLBFUCFVEV-UHFFFAOYSA-N -1 3 282.299 3.103 20 30 CGEDHM N#Cc1cccc2[nH]cc(C(=O)Nc3cc(F)ccc3[O-])c21 ZINC001153467953 805398987 /nfs/dbraw/zinc/39/89/87/805398987.db2.gz MEMXBPNIGSUHPR-UHFFFAOYSA-N -1 3 295.273 3.137 20 30 CGEDHM N#CCOc1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001212597375 815081927 /nfs/dbraw/zinc/08/19/27/815081927.db2.gz QQRKCWZMHOPCTH-UHFFFAOYSA-N -1 3 275.695 3.087 20 30 CGEDHM [O-]/N=C/c1cccc(N[C@H]2CCCc3cccnc32)c1 ZINC001168661331 807471380 /nfs/dbraw/zinc/47/13/80/807471380.db2.gz NAZLZZZSAGLLCM-LZNAANCOSA-N -1 3 267.332 3.379 20 30 CGEDHM N#Cc1cc(Cl)cc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430088 809401702 /nfs/dbraw/zinc/40/17/02/809401702.db2.gz DRASUTYDVKDBHF-UHFFFAOYSA-N -1 3 296.721 3.135 20 30 CGEDHM C=CCCCCCCCNC(=O)c1ccc(O)cc1[O-] ZINC001298885381 809541054 /nfs/dbraw/zinc/54/10/54/809541054.db2.gz ABPMBNBLJIBSPC-UHFFFAOYSA-N -1 3 277.364 3.354 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cnn(-c3ccccc3)c2)c1 ZINC001175794868 809545506 /nfs/dbraw/zinc/54/55/06/809545506.db2.gz UEISLEYUTYNAMA-UHFFFAOYSA-N -1 3 276.299 3.193 20 30 CGEDHM C#Cc1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001175972760 809587605 /nfs/dbraw/zinc/58/76/05/809587605.db2.gz GDJPRXXXFOZMQU-UHFFFAOYSA-N -1 3 289.132 3.275 20 30 CGEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccs2)ccc1[O-] ZINC001177543973 809807688 /nfs/dbraw/zinc/80/76/88/809807688.db2.gz FBAYJDVEIPHZHD-VXGBXAGGSA-N -1 3 284.340 3.068 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ncccc1CC ZINC001184305236 810189970 /nfs/dbraw/zinc/18/99/70/810189970.db2.gz APOLCTZFCARUKL-UHFFFAOYSA-N -1 3 250.342 3.056 20 30 CGEDHM CCCCN([O-])C(=O)COc1ccc(Cl)c(C)c1 ZINC001184314904 810190629 /nfs/dbraw/zinc/19/06/29/810190629.db2.gz OEJHPRFCGSCYTC-UHFFFAOYSA-N -1 3 271.744 3.045 20 30 CGEDHM CC1(C)CC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001184347725 810194952 /nfs/dbraw/zinc/19/49/52/810194952.db2.gz BBTYQFCYFUZAJJ-LBPRGKRZSA-N -1 3 265.328 3.370 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cccc(Cl)c2C)o1 ZINC001184655092 810214185 /nfs/dbraw/zinc/21/41/85/810214185.db2.gz KNYVHGZSXKKQEY-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM COc1c(C)cc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1C ZINC001191071656 810671241 /nfs/dbraw/zinc/67/12/41/810671241.db2.gz WEWADWCETGYKIA-UHFFFAOYSA-N -1 3 296.326 3.142 20 30 CGEDHM CC(=O)c1ccc(F)c([N-]c2oc(C)nc2C#N)c1F ZINC001214756037 815448173 /nfs/dbraw/zinc/44/81/73/815448173.db2.gz VGTWELLVBJERQC-UHFFFAOYSA-N -1 3 277.230 3.079 20 30 CGEDHM Cc1cc(CO)cc(C)c1Nc1cc(C#N)ccc1[O-] ZINC001214957937 815469586 /nfs/dbraw/zinc/46/95/86/815469586.db2.gz QHCMNGRLLVOJQJ-UHFFFAOYSA-N -1 3 268.316 3.117 20 30 CGEDHM CCOc1ncc(Cl)cc1Nc1cc(C#N)ccc1[O-] ZINC001201510952 811876841 /nfs/dbraw/zinc/87/68/41/811876841.db2.gz MZYYPVYOHYKLCL-UHFFFAOYSA-N -1 3 289.722 3.455 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cc(C)cc(C)c2)o1 ZINC001202839058 812186076 /nfs/dbraw/zinc/18/60/76/812186076.db2.gz YERHZYXHMRXQLZ-UHFFFAOYSA-N -1 3 270.292 3.116 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(Cl)c(CO)c2F)c1 ZINC001215608173 815546754 /nfs/dbraw/zinc/54/67/54/815546754.db2.gz FZHCFOUCPHVXDQ-UHFFFAOYSA-N -1 3 292.697 3.292 20 30 CGEDHM CCc1nc(C#N)cc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205087058 812856060 /nfs/dbraw/zinc/85/60/60/812856060.db2.gz KIQRCTNRRNZSHT-UHFFFAOYSA-N -1 3 293.248 3.302 20 30 CGEDHM N#Cc1ccc(Cl)nc1Nc1ccc(F)cc1[O-] ZINC001210017374 814246712 /nfs/dbraw/zinc/24/67/12/814246712.db2.gz YWKHUHXZLWQVPA-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM N#Cc1ccc(Nc2cccc(Cl)c2[O-])c(O)c1 ZINC001210222992 814350507 /nfs/dbraw/zinc/35/05/07/814350507.db2.gz GLVVFORWLQGBTH-UHFFFAOYSA-N -1 3 260.680 3.366 20 30 CGEDHM N#Cc1cc(Nc2cc(F)c(F)cc2C#N)ccc1[O-] ZINC001210532311 814512187 /nfs/dbraw/zinc/51/21/87/814512187.db2.gz AIIMHUSIEBVEPX-UHFFFAOYSA-N -1 3 271.226 3.157 20 30 CGEDHM COc1cc(C#N)c(F)cc1Nc1ccc([O-])c(C#N)c1 ZINC001210533292 814512823 /nfs/dbraw/zinc/51/28/23/814512823.db2.gz OXLRLRFBIWHCCR-UHFFFAOYSA-N -1 3 283.262 3.027 20 30 CGEDHM Cc1cc(Nc2cc(Cl)ncc2[O-])ccc1C#N ZINC001210806265 814637720 /nfs/dbraw/zinc/63/77/20/814637720.db2.gz VNTFADBNXVSFRQ-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM CSc1ncc(Nc2cc(C#N)ccc2[O-])cc1C ZINC001215830578 815608365 /nfs/dbraw/zinc/60/83/65/815608365.db2.gz NMUGELUWXUYISJ-UHFFFAOYSA-N -1 3 271.345 3.433 20 30 CGEDHM CSc1ncc(Cl)cc1[N-]c1onc(C)c1C#N ZINC001215914238 815627956 /nfs/dbraw/zinc/62/79/56/815627956.db2.gz CJMPTSXXRZVBEK-UHFFFAOYSA-N -1 3 280.740 3.369 20 30 CGEDHM Cc1cc(Nc2cc(C#N)cnc2C)cc([O-])c1F ZINC001216079446 815684712 /nfs/dbraw/zinc/68/47/12/815684712.db2.gz MQFCERGRLCFOML-UHFFFAOYSA-N -1 3 257.268 3.158 20 30 CGEDHM N#Cc1cc(Nc2cc(F)cc([N+](=O)[O-])c2)ccc1[O-] ZINC001216484579 815839096 /nfs/dbraw/zinc/83/90/96/815839096.db2.gz SJTBSUZCDIVCFC-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM C=CCn1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001222409351 816437763 /nfs/dbraw/zinc/43/77/63/816437763.db2.gz WNUUUUVWBDNGNI-UHFFFAOYSA-N -1 3 255.346 3.032 20 30 CGEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1cccnc1Cl ZINC001223978226 816713822 /nfs/dbraw/zinc/71/38/22/816713822.db2.gz QYRLTSYSCCCWJL-KWSCKXNYSA-N -1 3 277.711 3.044 20 30 CGEDHM Cc1cccc([C@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c1 ZINC001225469475 817062050 /nfs/dbraw/zinc/06/20/50/817062050.db2.gz KSLGIWYECVDKMP-LBPRGKRZSA-N -1 3 268.316 3.416 20 30 CGEDHM COC(C)(C)C[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226115719 817276680 /nfs/dbraw/zinc/27/66/80/817276680.db2.gz ICLNAXUQDOXNLV-KBVGCWLLSA-N -1 3 251.326 3.077 20 30 CGEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]c(=O)ncc1C(C)=O ZINC001226237582 817306296 /nfs/dbraw/zinc/30/62/96/817306296.db2.gz KNJXEOPTSYRGTI-SCDSUCTJSA-N -1 3 290.363 3.145 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ncc2C(C)=O)C1 ZINC001226239112 817307743 /nfs/dbraw/zinc/30/77/43/817307743.db2.gz GDFFPHAQSAXEDT-JSGCOSHPSA-N -1 3 288.347 3.065 20 30 CGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cc(=O)[n-]c(CC)n2)O1 ZINC001226473757 817368451 /nfs/dbraw/zinc/36/84/51/817368451.db2.gz BKTGVFKJATVNSH-ZBEGNZNMSA-N -1 3 292.379 3.026 20 30 CGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cc(=O)[n-]c(CC)n2)O1 ZINC001226473755 817368963 /nfs/dbraw/zinc/36/89/63/817368963.db2.gz BKTGVFKJATVNSH-MEDUHNTESA-N -1 3 292.379 3.026 20 30 CGEDHM C=CC[C@H](Oc1c([O-])ccc2ccc(=O)oc21)C(C)C ZINC001226599321 817410099 /nfs/dbraw/zinc/41/00/99/817410099.db2.gz KWJLAENHFUROKC-ZDUSSCGKSA-N -1 3 274.316 3.478 20 30 CGEDHM C=CCOCC(COCC=C)Oc1cccc([O-])c1Cl ZINC001226711382 817441777 /nfs/dbraw/zinc/44/17/77/817441777.db2.gz JMIGYOMFKWZXGR-UHFFFAOYSA-N -1 3 298.766 3.198 20 30 CGEDHM C=CCC(CC=C)Oc1[n-]c(=S)ncc1CC ZINC001227062686 817548014 /nfs/dbraw/zinc/54/80/14/817548014.db2.gz ZGQAKISYHWSVLA-UHFFFAOYSA-N -1 3 250.367 3.227 20 30 CGEDHM COc1ccc(OC[C@H](C)Oc2cc(C#N)ccc2[O-])cc1 ZINC001227350635 817629490 /nfs/dbraw/zinc/62/94/90/817629490.db2.gz OSYIUTLOWUOGSK-LBPRGKRZSA-N -1 3 299.326 3.119 20 30 CGEDHM C=CC[C@@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1ccccc1 ZINC001227616486 817683086 /nfs/dbraw/zinc/68/30/86/817683086.db2.gz QYEQOWKVGIAZKP-LLVKDONJSA-N -1 3 298.371 3.338 20 30 CGEDHM C=C[C@@H](CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621961 817955796 /nfs/dbraw/zinc/95/57/96/817955796.db2.gz FQPDBACYXZCFJN-JTQLQIEISA-N -1 3 260.289 3.150 20 30 CGEDHM C=CCC(CC=C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228859436 818026371 /nfs/dbraw/zinc/02/63/71/818026371.db2.gz WPUTUPVGVDZZOF-UHFFFAOYSA-N -1 3 258.317 3.421 20 30 CGEDHM O=C1C=C[C@H](Oc2ccccc2Oc2ccccc2[O-])C1 ZINC001231222399 818060389 /nfs/dbraw/zinc/06/03/89/818060389.db2.gz DRFDNNXYROAWBN-ZDUSSCGKSA-N -1 3 282.295 3.461 20 30 CGEDHM CN(Cc1cccc(C#N)c1)Cc1cccc([O-])c1F ZINC001233054781 818513626 /nfs/dbraw/zinc/51/36/26/818513626.db2.gz YPHQBYOPZBWPHG-UHFFFAOYSA-N -1 3 270.307 3.035 20 30 CGEDHM CCOC(=O)c1ccc(OC)c(-c2cccc(/C=N/[O-])c2)c1 ZINC001243331701 823349607 /nfs/dbraw/zinc/34/96/07/823349607.db2.gz JVKNDZODRGZTAX-WOJGMQOQSA-N -1 3 299.326 3.347 20 30 CGEDHM N#Cc1ccc(CN2CCC[C@@H]2c2nccs2)c([O-])c1 ZINC001233386893 818606904 /nfs/dbraw/zinc/60/69/04/818606904.db2.gz MOQHGEZHQWBCFE-CYBMUJFWSA-N -1 3 285.372 3.057 20 30 CGEDHM N#CCCN(Cc1c(F)ccc([O-])c1F)C1CCCC1 ZINC001233395638 818610136 /nfs/dbraw/zinc/61/01/36/818610136.db2.gz HEIWVPTWJAZSPE-UHFFFAOYSA-N -1 3 280.318 3.329 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCCC[C@H]1C ZINC001233800364 818707407 /nfs/dbraw/zinc/70/74/07/818707407.db2.gz PAXNUQSJWFUKJD-HJCXSIFHSA-N -1 3 263.337 3.461 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@H]2CCCc3cccnc32)c1 ZINC001234139035 818788683 /nfs/dbraw/zinc/78/86/83/818788683.db2.gz FGDWPAYITPKQJM-HNNXBMFYSA-N -1 3 266.300 3.115 20 30 CGEDHM C[C@H](COc1cc([O-])cc(C#N)c1)Oc1ccccc1 ZINC001234143177 818790823 /nfs/dbraw/zinc/79/08/23/818790823.db2.gz AHBLICLGARZJHA-GFCCVEGCSA-N -1 3 269.300 3.110 20 30 CGEDHM C#C[C@@H]1CCC[C@H]1Oc1c(Cl)ccc([O-])c1F ZINC001234263291 818820048 /nfs/dbraw/zinc/82/00/48/818820048.db2.gz WLXWNFXKUNJFNG-LDYMZIIASA-N -1 3 254.688 3.365 20 30 CGEDHM C#C[C@@H]1CCC[C@@H]1Oc1c([O-])cc(Cl)cc1F ZINC001234446963 818857970 /nfs/dbraw/zinc/85/79/70/818857970.db2.gz HUTJNCDUUGXMLU-PELKAZGASA-N -1 3 254.688 3.365 20 30 CGEDHM C#C[C@@H](CC(C)C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234691321 818917003 /nfs/dbraw/zinc/91/70/03/818917003.db2.gz HGYXXDHKLBXEFQ-AWEZNQCLSA-N -1 3 282.343 3.276 20 30 CGEDHM CC(=O)n1ncc2ccc(-c3ccc(/C=N/[O-])c(F)c3)cc21 ZINC001243481193 823417464 /nfs/dbraw/zinc/41/74/64/823417464.db2.gz JEROLKYAFZLIKZ-DJKKODMXSA-N -1 3 297.289 3.311 20 30 CGEDHM C=CCN(CC=C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237798526 819845129 /nfs/dbraw/zinc/84/51/29/819845129.db2.gz HVXNNEKEDVQCNT-UHFFFAOYSA-N -1 3 255.720 3.359 20 30 CGEDHM N#CC1(c2ccc(-c3cccc([O-])c3F)nc2)CCOCC1 ZINC001243543665 823436456 /nfs/dbraw/zinc/43/64/56/823436456.db2.gz HUPMWYCBYYVXDI-UHFFFAOYSA-N -1 3 298.317 3.165 20 30 CGEDHM COc1ccc(-c2ccc([O-])c(F)c2)c(CC#N)c1 ZINC001240786360 821326845 /nfs/dbraw/zinc/32/68/45/821326845.db2.gz IIMUQSUXPCUEHH-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM COc1cc(OC)cc(-c2cccc(/C=N/[O-])c2)c1 ZINC001241130264 821585696 /nfs/dbraw/zinc/58/56/96/821585696.db2.gz COMFCZOFFXPVCY-MHWRWJLKSA-N -1 3 257.289 3.179 20 30 CGEDHM COc1ncc(C)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001241366401 821767400 /nfs/dbraw/zinc/76/74/00/821767400.db2.gz DHTUXMFOJGSYMI-SDXDJHTJSA-N -1 3 268.316 3.190 20 30 CGEDHM COc1cc(-c2ccc(F)cc2[O-])ccc1CC#N ZINC001242220643 822916866 /nfs/dbraw/zinc/91/68/66/822916866.db2.gz ITCNKHZOLDANKC-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM CCOC(=O)Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242564218 823034346 /nfs/dbraw/zinc/03/43/46/823034346.db2.gz SJJOTATVSSUTHX-UHFFFAOYSA-N -1 3 281.311 3.036 20 30 CGEDHM Cc1cc(-c2ccc([O-])c(C#N)c2)cc2c1NC(=O)CC2 ZINC001242565606 823036058 /nfs/dbraw/zinc/03/60/58/823036058.db2.gz MJYQSXSZHUXCMA-UHFFFAOYSA-N -1 3 278.311 3.124 20 30 CGEDHM C#CCC[C@@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001345059898 936799626 /nfs/dbraw/zinc/79/96/26/936799626.db2.gz POBHDZHEBIYNGR-SECBINFHSA-N -1 3 292.285 3.459 20 30 CGEDHM O=C([C@H]1CC12CCC2)N([O-])CCCCc1ccccc1 ZINC001458007264 937448443 /nfs/dbraw/zinc/44/84/43/937448443.db2.gz HPIZBGDFLXOQLR-OAHLLOKOSA-N -1 3 273.376 3.417 20 30 CGEDHM C=CCn1c(SC[C@@H]2CCCCC2(C)C)n[n-]c1=O ZINC001458998749 937478081 /nfs/dbraw/zinc/47/80/81/937478081.db2.gz XVBAOBBLLIIQLC-NSHDSACASA-N -1 3 281.425 3.478 20 30 CGEDHM C#C[C@H]1CCC[C@@H]1Oc1nc(=S)[n-]c2sccc21 ZINC001229569544 932173670 /nfs/dbraw/zinc/17/36/70/932173670.db2.gz KJLAUZCNXKYLKW-WPRPVWTQSA-N -1 3 276.386 3.161 20 30 CGEDHM O=C(CCc1ccccn1)N([O-])Cc1ccccc1Cl ZINC001306893968 932763416 /nfs/dbraw/zinc/76/34/16/932763416.db2.gz DEBRRRXRLRZPAD-UHFFFAOYSA-N -1 3 290.750 3.086 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc(C)cc(C)n1 ZINC001306896632 932892513 /nfs/dbraw/zinc/89/25/13/932892513.db2.gz GEYZFFFXBRLQGH-UHFFFAOYSA-N -1 3 250.342 3.110 20 30 CGEDHM CC(C)C[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306899808 932893045 /nfs/dbraw/zinc/89/30/45/932893045.db2.gz CLQVWJUQBJAZRF-NSHDSACASA-N -1 3 253.317 3.226 20 30 CGEDHM CCCCN([O-])C(=O)CSc1ccccc1Cl ZINC001306897467 932893382 /nfs/dbraw/zinc/89/33/82/932893382.db2.gz NXVMHHUBKVKXRC-UHFFFAOYSA-N -1 3 273.785 3.450 20 30 CGEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001309713582 933242229 /nfs/dbraw/zinc/24/22/29/933242229.db2.gz UKZTVVAMUDHLTF-UHFFFAOYSA-N -1 3 293.841 3.282 20 30 CGEDHM CCCCCCCC[C@@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC001466101363 937706604 /nfs/dbraw/zinc/70/66/04/937706604.db2.gz JKCUOYLPBFNWJW-LLVKDONJSA-N -1 3 282.388 3.139 20 30 CGEDHM CCCCCCCC[C@@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC001466101363 937706605 /nfs/dbraw/zinc/70/66/05/937706605.db2.gz JKCUOYLPBFNWJW-LLVKDONJSA-N -1 3 282.388 3.139 20 30 CGEDHM CCCCCCCC[C@@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC001466101363 937706606 /nfs/dbraw/zinc/70/66/06/937706606.db2.gz JKCUOYLPBFNWJW-LLVKDONJSA-N -1 3 282.388 3.139 20 30 CGEDHM Cc1cc(C)nc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001472620303 937778058 /nfs/dbraw/zinc/77/80/58/937778058.db2.gz XBTGGRPEBANKND-UHFFFAOYSA-N -1 3 290.750 3.383 20 30 CGEDHM CCCCN([O-])C(=O)COc1cccc(OCC(C)C)c1 ZINC001472620786 937778689 /nfs/dbraw/zinc/77/86/89/937778689.db2.gz RJRZORXMQSGEEV-UHFFFAOYSA-N -1 3 295.379 3.118 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCC/C=C/c1ccccc1 ZINC001473005122 937790303 /nfs/dbraw/zinc/79/03/03/937790303.db2.gz MAOREEQKWAAKTF-UXBLZVDNSA-N -1 3 287.388 3.365 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)c(F)c1 ZINC001524218972 938043127 /nfs/dbraw/zinc/04/31/27/938043127.db2.gz VSICBARVKKRTLR-UHFFFAOYSA-N -1 3 294.207 3.367 20 30 CGEDHM N#Cc1ccc(CC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001556784566 938205823 /nfs/dbraw/zinc/20/58/23/938205823.db2.gz XWEPEHPKDDEYJH-UHFFFAOYSA-N -1 3 286.718 3.098 20 30 CGEDHM CCCCCCN([O-])C(=O)CCc1nc2ccccc2[nH]1 ZINC001559034877 938219317 /nfs/dbraw/zinc/21/93/17/938219317.db2.gz SUEUHPJKCUGKAG-UHFFFAOYSA-N -1 3 289.379 3.294 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@H]1CCC2(CCC2)O1 ZINC001559035150 938219383 /nfs/dbraw/zinc/21/93/83/938219383.db2.gz DYJKQNIAWZYTHQ-CYBMUJFWSA-N -1 3 269.385 3.276 20 30 CGEDHM C=C[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001560795165 938276283 /nfs/dbraw/zinc/27/62/83/938276283.db2.gz NSESDYVMDRYNAH-NSHDSACASA-N -1 3 253.292 3.211 20 30 CGEDHM N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(=O)[O-])s1 ZINC001594627159 956322288 /nfs/dbraw/zinc/32/22/88/956322288.db2.gz MRPZMUODMFSKRL-AWEZNQCLSA-N -1 3 298.367 3.095 20 30 CGEDHM C=CCC[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001573358262 963025890 /nfs/dbraw/zinc/02/58/90/963025890.db2.gz XKOPKHPRRLWOPA-AWEZNQCLSA-N -1 3 284.359 3.187 20 30 CGEDHM N#Cc1cccc(O[N-]C(=O)C[C@H]2CCc3ccccc32)c1 ZINC001587204881 963177751 /nfs/dbraw/zinc/17/77/51/963177751.db2.gz BRQWXWQCUQSAKK-OAHLLOKOSA-N -1 3 292.338 3.088 20 30 CGEDHM CCc1ccc([C@@H](NCc2ccc(C#N)cc2)C(=O)[O-])cc1 ZINC000426810977 529712186 /nfs/dbraw/zinc/71/21/86/529712186.db2.gz KMNBVZDCGPCZNG-QGZVFWFLSA-N -1 3 294.354 3.036 20 30 CGEDHM CCc1nnc([N-]C(=O)c2sc(CC)nc2C)s1 ZINC000050257476 345079168 /nfs/dbraw/zinc/07/91/68/345079168.db2.gz CHMBCZRDWHBXPX-UHFFFAOYSA-N -1 3 282.394 3.064 20 30 CGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000066315899 345288961 /nfs/dbraw/zinc/28/89/61/345288961.db2.gz ANYPWOHMTNUFHZ-BDAKNGLRSA-N -1 3 296.252 3.215 20 30 CGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000066315899 345288965 /nfs/dbraw/zinc/28/89/65/345288965.db2.gz ANYPWOHMTNUFHZ-BDAKNGLRSA-N -1 3 296.252 3.215 20 30 CGEDHM Cc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)ccc1[O-] ZINC000573752568 334963655 /nfs/dbraw/zinc/96/36/55/334963655.db2.gz JRUMTMTWSYRFGR-QGZVFWFLSA-N -1 3 286.375 3.293 20 30 CGEDHM N#Cc1[n-]c(=NC[C@@H]2CCCC23CC3)sc1Cl ZINC000599197819 347725667 /nfs/dbraw/zinc/72/56/67/347725667.db2.gz ADSNALFWPVUXIQ-QMMMGPOBSA-N -1 3 267.785 3.082 20 30 CGEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000617787310 349013053 /nfs/dbraw/zinc/01/30/53/349013053.db2.gz LQLOXKJRPVKQDN-CYBMUJFWSA-N -1 3 259.349 3.129 20 30 CGEDHM C=CC[C@@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000628406320 350530168 /nfs/dbraw/zinc/53/01/68/350530168.db2.gz HJSSFUPTGNHFOR-LLVKDONJSA-N -1 3 251.757 3.444 20 30 CGEDHM C=C1CC(C)(C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000632138900 351171343 /nfs/dbraw/zinc/17/13/43/351171343.db2.gz IDROKFYLJMYHEH-UHFFFAOYSA-N -1 3 251.713 3.340 20 30 CGEDHM C=CCCCCCN(C)C(=O)c1cc(OC)ccc1[O-] ZINC000156856826 188285513 /nfs/dbraw/zinc/28/55/13/188285513.db2.gz PMRQDXCFBOENHC-UHFFFAOYSA-N -1 3 277.364 3.219 20 30 CGEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C#N)cc1Cl ZINC000292547327 198327659 /nfs/dbraw/zinc/32/76/59/198327659.db2.gz AQZPCAYANUKGDZ-SECBINFHSA-N -1 3 281.743 3.311 20 30 CGEDHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1cccc(C#N)c1 ZINC000336310033 213152735 /nfs/dbraw/zinc/15/27/35/213152735.db2.gz NIBGCBXDFZUANO-SNVBAGLBSA-N -1 3 284.290 3.145 20 30 CGEDHM Cc1ocnc1C(=O)[N-]c1sc(C(C)(C)C)cc1C#N ZINC000297715692 200267200 /nfs/dbraw/zinc/26/72/00/200267200.db2.gz JBIAXVNMVIMLIN-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM C[C@@H](O[N-]C(=O)/C=C/c1cccc(C#N)c1)c1ccccc1 ZINC000493861010 244245377 /nfs/dbraw/zinc/24/53/77/244245377.db2.gz SOEMVAFDAPPVBQ-PLSXKVAHSA-N -1 3 292.338 3.380 20 30 CGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000432299210 372555252 /nfs/dbraw/zinc/55/52/52/372555252.db2.gz PJSSPRPMPIHJRX-UHFFFAOYSA-N -1 3 285.384 3.015 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000294718064 372668734 /nfs/dbraw/zinc/66/87/34/372668734.db2.gz WXLPJBIENQGDLE-MRVPVSSYSA-N -1 3 275.245 3.353 20 30 CGEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c([O-])c1C ZINC000436545150 372835764 /nfs/dbraw/zinc/83/57/64/372835764.db2.gz RDXDNFWIZMMRRB-APPDUMDISA-N -1 3 286.375 3.211 20 30 CGEDHM N#CCc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436777336 372840956 /nfs/dbraw/zinc/84/09/56/372840956.db2.gz MHVLJTMTCBTEGX-UHFFFAOYSA-N -1 3 277.283 3.175 20 30 CGEDHM CCS[C@@H]1CCC[C@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000176413849 373593732 /nfs/dbraw/zinc/59/37/32/373593732.db2.gz HHVXMZXHDLHWQU-JOUPJPQCSA-N -1 3 295.404 3.287 20 30 CGEDHM CC(C)(C#N)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179810593 373921955 /nfs/dbraw/zinc/92/19/55/373921955.db2.gz XCMKTMGJEJUNQR-UHFFFAOYSA-N -1 3 294.354 3.471 20 30 CGEDHM CC(C)(C)CN(CCC#N)Cc1cc(F)ccc1[O-] ZINC000180077890 373964000 /nfs/dbraw/zinc/96/40/00/373964000.db2.gz QNGDPAHTEOGSOP-UHFFFAOYSA-N -1 3 264.344 3.293 20 30 CGEDHM CCC(CC)n1nc(C([O-])=C(C#N)c2ccccn2)cc1C ZINC000181099637 374081321 /nfs/dbraw/zinc/08/13/21/374081321.db2.gz QWLJKRJFKOYRJS-CQSZACIVSA-N -1 3 296.374 3.438 20 30 CGEDHM Cc1cc(/N=C/c2ccccc2[O-])ccc1N1CCOCC1 ZINC000180919121 374058788 /nfs/dbraw/zinc/05/87/88/374058788.db2.gz WQIWRQVABONNHI-CPNJWEJPSA-N -1 3 296.370 3.288 20 30 CGEDHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000328639626 374372719 /nfs/dbraw/zinc/37/27/19/374372719.db2.gz CDKAWTBGNFRYKH-BXKDBHETSA-N -1 3 290.342 3.370 20 30 CGEDHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000328639626 374372725 /nfs/dbraw/zinc/37/27/25/374372725.db2.gz CDKAWTBGNFRYKH-BXKDBHETSA-N -1 3 290.342 3.370 20 30 CGEDHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328639626 374372734 /nfs/dbraw/zinc/37/27/34/374372734.db2.gz CDKAWTBGNFRYKH-BXKDBHETSA-N -1 3 290.342 3.370 20 30 CGEDHM Cc1nc(C(C)(C)NC(=O)c2csc(=O)[n-]2)sc1C ZINC000329956817 374445003 /nfs/dbraw/zinc/44/50/03/374445003.db2.gz PUEMWJZDVFIVIR-UHFFFAOYSA-N -1 3 297.405 3.162 20 30 CGEDHM CCO[N-]C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000184012065 374482131 /nfs/dbraw/zinc/48/21/31/374482131.db2.gz HJYUICIHERLPKD-SNVBAGLBSA-N -1 3 279.365 3.154 20 30 CGEDHM C=CCCCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469628440 374991285 /nfs/dbraw/zinc/99/12/85/374991285.db2.gz BQBTYIDZASSWDQ-UHFFFAOYSA-N -1 3 279.355 3.327 20 30 CGEDHM CCc1cc([O-])ccc1NC(=O)c1sccc1C#N ZINC000191078442 375573431 /nfs/dbraw/zinc/57/34/31/375573431.db2.gz YMSIYLRXNMQVFY-UHFFFAOYSA-N -1 3 272.329 3.140 20 30 CGEDHM C=CCCCN(C)C(=O)c1cc([O-])ccc1Cl ZINC000234260996 376613043 /nfs/dbraw/zinc/61/30/43/376613043.db2.gz RAUOBASVWQKXGM-UHFFFAOYSA-N -1 3 253.729 3.084 20 30 CGEDHM N#CC(=C([O-])c1ccc(SC2CC2)cc1)c1ccncn1 ZINC000545446921 376822237 /nfs/dbraw/zinc/82/22/37/376822237.db2.gz ZZJZEFDWFOKPQJ-AWEZNQCLSA-N -1 3 295.367 3.221 20 30 CGEDHM CCc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1[O-] ZINC000557492250 376939958 /nfs/dbraw/zinc/93/99/58/376939958.db2.gz QHXSOBAVAXMKLL-LBPRGKRZSA-N -1 3 294.354 3.317 20 30 CGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cccs3)nc21 ZINC000345424523 378281163 /nfs/dbraw/zinc/28/11/63/378281163.db2.gz PMOLUJALKABRHD-JTQLQIEISA-N -1 3 281.340 3.423 20 30 CGEDHM Cc1cc(Br)cc(CN(C)C[C@@H](C)C#N)c1[O-] ZINC000271737465 378503253 /nfs/dbraw/zinc/50/32/53/378503253.db2.gz PAXNLBMZDSENHC-VIFPVBQESA-N -1 3 297.196 3.055 20 30 CGEDHM C=CCCC1(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)CC1 ZINC000359840011 381373085 /nfs/dbraw/zinc/37/30/85/381373085.db2.gz HPXCOZKDINZRAP-UHFFFAOYSA-N -1 3 286.335 3.058 20 30 CGEDHM C=CCCC1(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)CC1 ZINC000359840011 381373096 /nfs/dbraw/zinc/37/30/96/381373096.db2.gz HPXCOZKDINZRAP-UHFFFAOYSA-N -1 3 286.335 3.058 20 30 CGEDHM C=CCCC1(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CC1 ZINC000359840011 381373107 /nfs/dbraw/zinc/37/31/07/381373107.db2.gz HPXCOZKDINZRAP-UHFFFAOYSA-N -1 3 286.335 3.058 20 30 CGEDHM C#CCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000192213350 533010723 /nfs/dbraw/zinc/01/07/23/533010723.db2.gz LTHFIGKWQXPECY-LBPRGKRZSA-N -1 3 257.333 3.036 20 30 CGEDHM CCn1nc(C)c([N-]c2nc(Cl)c(C#N)s2)c1C ZINC000288187126 197022383 /nfs/dbraw/zinc/02/23/83/197022383.db2.gz BVVRNPBGIMKPON-UHFFFAOYSA-N -1 3 281.772 3.245 20 30 CGEDHM Cc1cccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000078266710 287046438 /nfs/dbraw/zinc/04/64/38/287046438.db2.gz PUZGFYYTRWMCGN-GFCCVEGCSA-N -1 3 280.327 3.063 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1CCCC(F)(F)C1 ZINC000337737609 262468238 /nfs/dbraw/zinc/46/82/38/262468238.db2.gz BEUZOKSZQZOCNJ-VIFPVBQESA-N -1 3 289.351 3.087 20 30 CGEDHM CC1(C#N)CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000272527089 263005764 /nfs/dbraw/zinc/00/57/64/263005764.db2.gz MJLXACWKFNVGAK-UHFFFAOYSA-N -1 3 264.756 3.171 20 30 CGEDHM CCc1ccc(C(=O)N(CCC#N)CCC(C)C)c([O-])c1 ZINC000276380769 263036562 /nfs/dbraw/zinc/03/65/62/263036562.db2.gz QBJFORUKMZUMGF-UHFFFAOYSA-N -1 3 288.391 3.357 20 30 CGEDHM CC(C)[C@H](C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294577647 263164081 /nfs/dbraw/zinc/16/40/81/263164081.db2.gz KNXUAAVRIVBTMW-INIZCTEOSA-N -1 3 296.370 3.142 20 30 CGEDHM Cc1noc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000331225703 264149870 /nfs/dbraw/zinc/14/98/70/264149870.db2.gz CJXXAFXBYQPMNL-VIFPVBQESA-N -1 3 289.335 3.273 20 30 CGEDHM N#Cc1ccsc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000194590543 268303575 /nfs/dbraw/zinc/30/35/75/268303575.db2.gz OPLUYNMWCGWPTI-UHFFFAOYSA-N -1 3 299.380 3.294 20 30 CGEDHM CCO[N-]C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000184010174 327823547 /nfs/dbraw/zinc/82/35/47/327823547.db2.gz FEDXNBRZEXANHP-SNVBAGLBSA-N -1 3 279.365 3.011 20 30 CGEDHM Cc1ccc([O-])c(C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000028434994 328245207 /nfs/dbraw/zinc/24/52/07/328245207.db2.gz OWJGNQOKMZSUEI-UHFFFAOYSA-N -1 3 266.300 3.019 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)c(C2CC2)n1 ZINC000560365987 327302607 /nfs/dbraw/zinc/30/26/07/327302607.db2.gz DKZJLTOTPJLVSC-CQSZACIVSA-N -1 3 277.327 3.153 20 30 CGEDHM Cc1sc([N-]C(=O)c2ocnc2C2CC2)c(C#N)c1C ZINC000580473797 330145215 /nfs/dbraw/zinc/14/52/15/330145215.db2.gz DQRLIRDVRGCCJZ-UHFFFAOYSA-N -1 3 287.344 3.354 20 30 CGEDHM CCC(C#N)(CC)c1nc(-c2ccc([O-])cc2)no1 ZINC000528154643 330309983 /nfs/dbraw/zinc/30/99/83/330309983.db2.gz GXHAQPVBZOZGKT-UHFFFAOYSA-N -1 3 257.293 3.024 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccc(C)cc1OCCC ZINC000120087756 330385361 /nfs/dbraw/zinc/38/53/61/330385361.db2.gz FMCLXJCMLHITCS-UHFFFAOYSA-N -1 3 283.393 3.102 20 30 CGEDHM CCCCc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1 ZINC000088475988 330480432 /nfs/dbraw/zinc/48/04/32/330480432.db2.gz DGAGOTOEBOVLBY-CQSZACIVSA-N -1 3 280.393 3.073 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000431207825 330582222 /nfs/dbraw/zinc/58/22/22/330582222.db2.gz HZCOVGRNLMKUFY-UHFFFAOYSA-N -1 3 295.404 3.233 20 30 CGEDHM C=CCC(F)(F)c1nc(-c2ccc([O-])cc2)no1 ZINC000436516026 330678954 /nfs/dbraw/zinc/67/89/54/330678954.db2.gz SZPQWYOWIKAWEZ-UHFFFAOYSA-N -1 3 252.220 3.110 20 30 CGEDHM C=CCN(Cc1cccc([O-])c1Br)C1CC1 ZINC000459488832 331284522 /nfs/dbraw/zinc/28/45/22/331284522.db2.gz SQWQQUNEMGCOOD-UHFFFAOYSA-N -1 3 282.181 3.305 20 30 CGEDHM COC(=O)Nc1ccc(CCN=Cc2ccccc2[O-])cc1 ZINC000491405073 332205765 /nfs/dbraw/zinc/20/57/65/332205765.db2.gz KQECCPSMSYIGFT-LDADJPATSA-N -1 3 298.342 3.232 20 30 CGEDHM C=C(C)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000492259513 332389544 /nfs/dbraw/zinc/38/95/44/332389544.db2.gz PNHIHEKZVBBCGG-UHFFFAOYSA-N -1 3 295.791 3.348 20 30 CGEDHM CCc1ccc([O-])c(NC(=O)c2sccc2C#N)c1 ZINC000174080727 335147525 /nfs/dbraw/zinc/14/75/25/335147525.db2.gz KACCZFUVSRVGAK-UHFFFAOYSA-N -1 3 272.329 3.140 20 30 CGEDHM Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)c([O-])c1C ZINC000052512316 526060900 /nfs/dbraw/zinc/06/09/00/526060900.db2.gz UMHREUUJHDHRMM-UHFFFAOYSA-N -1 3 294.354 3.153 20 30 CGEDHM C=CCN(CC=C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000344284386 527638632 /nfs/dbraw/zinc/63/86/32/527638632.db2.gz ZZDSQGHACPFVMR-UHFFFAOYSA-N -1 3 285.265 3.225 20 30 CGEDHM CCOc1ccc(C#N)cc1NC(=O)c1cccc(C)c1[O-] ZINC000194274830 528381696 /nfs/dbraw/zinc/38/16/96/528381696.db2.gz MGMSZOAKVZYVJX-UHFFFAOYSA-N -1 3 296.326 3.223 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=NNCc1ccc(F)cc1F ZINC000727060141 571709885 /nfs/dbraw/zinc/70/98/85/571709885.db2.gz HCETUSARBAIHBZ-UHFFFAOYSA-N -1 3 296.704 3.448 20 30 CGEDHM CCc1ccccc1NN=Cc1nc(C)ccc1[O-] ZINC000728781558 571820627 /nfs/dbraw/zinc/82/06/27/571820627.db2.gz XHLPJQLNOKWEGJ-UHFFFAOYSA-N -1 3 255.321 3.104 20 30 CGEDHM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc([O-])cc1F ZINC000729931874 571937126 /nfs/dbraw/zinc/93/71/26/571937126.db2.gz XVSMXYFXVIZRTG-UHFFFAOYSA-N -1 3 289.266 3.276 20 30 CGEDHM CC1(c2ccccc2)CC(/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000729937502 571937909 /nfs/dbraw/zinc/93/79/09/571937909.db2.gz ULPAIPKCYHOPRQ-ODLFYWEKSA-N -1 3 297.354 3.343 20 30 CGEDHM Cc1ccccc1CN(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738772328 572392044 /nfs/dbraw/zinc/39/20/44/572392044.db2.gz YLLPVFLBYOZVBF-KRWDZBQOSA-N -1 3 294.354 3.124 20 30 CGEDHM Cc1ccc(C[C@@H](C)/N=C\c2ccc(O)c([O-])c2O)c(C)c1 ZINC000731155581 572398202 /nfs/dbraw/zinc/39/82/02/572398202.db2.gz LMMFAACFURBSHE-XTBHVRTMSA-N -1 3 299.370 3.470 20 30 CGEDHM N#Cc1ccc(Sc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737722333 572410304 /nfs/dbraw/zinc/41/03/04/572410304.db2.gz HUBUZWPHTIPURI-UHFFFAOYSA-N -1 3 297.318 3.029 20 30 CGEDHM CC1(C)CCC(/N=C\c2ccc(O)c([O-])c2O)CC1 ZINC000741466322 572413487 /nfs/dbraw/zinc/41/34/87/572413487.db2.gz MOPWGZVZNFOWRV-SXGWCWSVSA-N -1 3 263.337 3.191 20 30 CGEDHM COc1cccc([O-])c1/C=N/CCc1ccc(F)cc1F ZINC000732621958 572473696 /nfs/dbraw/zinc/47/36/96/572473696.db2.gz MDORBCKKCBOAJK-VXLYETTFSA-N -1 3 291.297 3.341 20 30 CGEDHM CC[C@@H](/N=C/c1c([O-])cccc1OC)c1ccncc1 ZINC000741466048 572500515 /nfs/dbraw/zinc/50/05/15/572500515.db2.gz BVPPOQSDURUIJI-XWAFYUISSA-N -1 3 270.332 3.366 20 30 CGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1nccs1 ZINC000735229405 572708095 /nfs/dbraw/zinc/70/80/95/572708095.db2.gz ZETUBRVSPPXVOQ-DGUDBNDOSA-N -1 3 275.304 3.371 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000735208233 572708938 /nfs/dbraw/zinc/70/89/38/572708938.db2.gz KWSKYFFDYABLMB-VCFDLTMXSA-N -1 3 290.750 3.344 20 30 CGEDHM CC[C@H](/N=C/c1c([O-])cccc1OC)C1CCOCC1 ZINC000746394817 572869395 /nfs/dbraw/zinc/86/93/95/572869395.db2.gz SHNJBEDMCGGDDR-MPMPPSQCSA-N -1 3 277.364 3.025 20 30 CGEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccccc1[O-] ZINC000747061872 572907242 /nfs/dbraw/zinc/90/72/42/572907242.db2.gz OAUZUJBNPTXYIO-UHFFFAOYSA-N -1 3 285.303 3.445 20 30 CGEDHM C#CC[C@H](OC(=O)c1cc2ccsc2[n-]1)C(C)C ZINC000747196708 572918595 /nfs/dbraw/zinc/91/85/95/572918595.db2.gz VNNFVNDQVBFFMC-LBPRGKRZSA-N -1 3 261.346 3.434 20 30 CGEDHM O=C(/C=C\c1ccc(Cl)nc1)c1cccc([O-])c1 ZINC000749000639 572987990 /nfs/dbraw/zinc/98/79/90/572987990.db2.gz ZFUAIGUVZFSCFP-XQRVVYSFSA-N -1 3 259.692 3.337 20 30 CGEDHM CC(C)=CCCC(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820005603 606433755 /nfs/dbraw/zinc/43/37/55/606433755.db2.gz TXKFDZDGCVIVAW-UHFFFAOYSA-N -1 3 284.367 3.401 20 30 CGEDHM CC(C)=CCCC(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820005603 606433756 /nfs/dbraw/zinc/43/37/56/606433756.db2.gz TXKFDZDGCVIVAW-UHFFFAOYSA-N -1 3 284.367 3.401 20 30 CGEDHM C[C@H]1CCC[C@@H](CN=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928800 608533668 /nfs/dbraw/zinc/53/36/68/608533668.db2.gz UNCJKEPCWWVIPP-NWDGAFQWSA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@H]1CCC[C@@H](CN=Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928800 608533670 /nfs/dbraw/zinc/53/36/70/608533670.db2.gz UNCJKEPCWWVIPP-NWDGAFQWSA-N -1 3 284.367 3.091 20 30 CGEDHM CCCCCCN([O-])C(=O)CCCn1nc(C)cc1C ZINC000900680104 620806239 /nfs/dbraw/zinc/80/62/39/620806239.db2.gz XZPHWGHQLDOOKO-UHFFFAOYSA-N -1 3 281.400 3.078 20 30 CGEDHM CCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255520234 618654102 /nfs/dbraw/zinc/65/41/02/618654102.db2.gz ZZVSLJBFFYEQHH-UHFFFAOYSA-N -1 3 257.289 3.116 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2ccc(OCC3CC3)cc2)c1O ZINC000255676339 618776056 /nfs/dbraw/zinc/77/60/56/618776056.db2.gz UWJGHGOGZFJOGX-UHFFFAOYSA-N -1 3 299.326 3.343 20 30 CGEDHM COc1cc(C(=O)/C=C\c2cc(C#N)cs2)ccc1[O-] ZINC000255697193 618778540 /nfs/dbraw/zinc/77/85/40/618778540.db2.gz LLMUWSANXVSHHJ-HYXAFXHYSA-N -1 3 285.324 3.230 20 30 CGEDHM Cc1ncsc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000103716972 619070876 /nfs/dbraw/zinc/07/08/76/619070876.db2.gz LRCMVKOITIOKHG-LHHJGKSTSA-N -1 3 266.753 3.430 20 30 CGEDHM CN(C)c1cccc(C/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000162336051 619071332 /nfs/dbraw/zinc/07/13/32/619071332.db2.gz LIRTVVNKVCIFRU-RQZCQDPDSA-N -1 3 289.766 3.126 20 30 CGEDHM C=C[C@@H]1OCCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000840707934 620091737 /nfs/dbraw/zinc/09/17/37/620091737.db2.gz BHJUPIPAFMESCC-HJEHRXJMSA-N -1 3 265.740 3.198 20 30 CGEDHM N#CC1(CC(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC000928711243 620208261 /nfs/dbraw/zinc/20/82/61/620208261.db2.gz LYMZQODUTSMUPS-UHFFFAOYSA-N -1 3 290.338 3.012 20 30 CGEDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000008322393 620372479 /nfs/dbraw/zinc/37/24/79/620372479.db2.gz INFDRUVVQFRLNU-CMDGGOBGSA-N -1 3 269.256 3.197 20 30 CGEDHM C[C@@H]1CC2(CC(/N=C/c3cc(Cl)ccc3[O-])C2)CO1 ZINC000899232705 620629144 /nfs/dbraw/zinc/62/91/44/620629144.db2.gz SRMOGTSPMSSBTR-YBFIAZTKSA-N -1 3 279.767 3.422 20 30 CGEDHM O=C(CC1CCSCC1)N([O-])Cc1ccc(F)cc1 ZINC000901371464 620866496 /nfs/dbraw/zinc/86/64/96/620866496.db2.gz CVBMWBQLNJWCNN-UHFFFAOYSA-N -1 3 283.368 3.077 20 30 CGEDHM O=C([C@H]1C[C@@H]1C1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901372071 620866685 /nfs/dbraw/zinc/86/66/85/620866685.db2.gz PEVPWIYSJIVZHE-CABCVRRESA-N -1 3 277.339 3.370 20 30 CGEDHM O=C([C@@H]1CCc2ccccc2C1)N([O-])Cc1ccc(F)cc1 ZINC000901375115 620868083 /nfs/dbraw/zinc/86/80/83/620868083.db2.gz DEWCNMYFNFLZFC-MRXNPFEDSA-N -1 3 299.345 3.349 20 30 CGEDHM CC[C@](C)(C#N)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171773 621884587 /nfs/dbraw/zinc/88/45/87/621884587.db2.gz SWBPJVFLWDHOED-QGZVFWFLSA-N -1 3 282.343 3.497 20 30 CGEDHM C[C@@]1(C(=O)N([O-])Cc2ccccc2Cl)CC1(F)F ZINC000904193847 621887284 /nfs/dbraw/zinc/88/72/84/621887284.db2.gz WXMGQPZCSBLHMX-NSHDSACASA-N -1 3 275.682 3.103 20 30 CGEDHM O=C(CCc1ccccn1)N([O-])CCCCc1ccccc1 ZINC000904197932 621888715 /nfs/dbraw/zinc/88/87/15/621888715.db2.gz QQRZHPWHYZPIQP-UHFFFAOYSA-N -1 3 298.386 3.255 20 30 CGEDHM CC(C)O[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCOC1 ZINC000905002712 622027428 /nfs/dbraw/zinc/02/74/28/622027428.db2.gz KTADGEWJHOQVQC-IWAJPKQASA-N -1 3 297.782 3.049 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CCCCc2ccccc2)c1[O-] ZINC000027067331 622268351 /nfs/dbraw/zinc/26/83/51/622268351.db2.gz HEOIRKYDMJPKKZ-XDHOZWIPSA-N -1 3 298.386 3.030 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccsc2)nc(C)n1 ZINC000916880732 624220975 /nfs/dbraw/zinc/22/09/75/624220975.db2.gz VDRZHNVJSBBCPD-SCOBNMCVSA-N -1 3 283.356 3.045 20 30 CGEDHM COc1ccc(N=Cc2cc(Cl)ccc2[O-])cn1 ZINC000920943261 624554469 /nfs/dbraw/zinc/55/44/69/624554469.db2.gz TWDRCNUZZAIEFE-UHFFFAOYSA-N -1 3 262.696 3.200 20 30 CGEDHM C=CCCC[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000921814642 625887410 /nfs/dbraw/zinc/88/74/10/625887410.db2.gz ANJNIFDFCOUYJT-NSHDSACASA-N -1 3 280.343 3.075 20 30 CGEDHM C#Cc1cccc(N(CC)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000838892203 626280358 /nfs/dbraw/zinc/28/03/58/626280358.db2.gz QWEPUWCCYCTZGH-UHFFFAOYSA-N -1 3 293.370 3.067 20 30 CGEDHM CCc1nc2ccccc2n1N=Cc1cc(F)ccc1[O-] ZINC000755623461 626632534 /nfs/dbraw/zinc/63/25/34/626632534.db2.gz AVDAPCGLNUIWCL-UHFFFAOYSA-N -1 3 283.306 3.326 20 30 CGEDHM CC(=NNCc1cccc(C)c1)c1ccc([O-])cc1F ZINC000764708022 627219229 /nfs/dbraw/zinc/21/92/29/627219229.db2.gz BSOZTRIPPJNTQW-UHFFFAOYSA-N -1 3 272.323 3.354 20 30 CGEDHM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1[O-] ZINC000767035146 627377053 /nfs/dbraw/zinc/37/70/53/627377053.db2.gz YGMNEJDQSFYHQX-UHFFFAOYSA-N -1 3 285.303 3.445 20 30 CGEDHM CCc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1CC ZINC000774541086 628004172 /nfs/dbraw/zinc/00/41/72/628004172.db2.gz JFSGDIBDWVBVBE-UHFFFAOYSA-N -1 3 298.386 3.463 20 30 CGEDHM C#CCN(C(=O)c1ccc(CC)cc1[O-])C1CCCCC1 ZINC000786844560 628966798 /nfs/dbraw/zinc/96/67/98/628966798.db2.gz PYPCHPYEMFBXFZ-UHFFFAOYSA-N -1 3 285.387 3.363 20 30 CGEDHM COc1cc(/C=C\C(=O)c2cc(C)on2)cc(Cl)c1[O-] ZINC000791431151 629276572 /nfs/dbraw/zinc/27/65/72/629276572.db2.gz GKPHCOMEYICWFM-ARJAWSKDSA-N -1 3 293.706 3.247 20 30 CGEDHM CSCCON=C(C)c1cc(Cl)ccc1[O-] ZINC000794572780 629557312 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ZINC000867455430 633246226 /nfs/dbraw/zinc/24/62/26/633246226.db2.gz HYDRSJSPIWRYEW-SNVBAGLBSA-N -1 3 282.299 3.011 20 30 CGEDHM C=CCC[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OCC ZINC000825117457 633329925 /nfs/dbraw/zinc/32/99/25/633329925.db2.gz DQBXQSJQGSSKDO-CYBMUJFWSA-N -1 3 297.782 3.033 20 30 CGEDHM C=CCC[C@H](NCc1c([O-])cccc1Cl)C(=O)OCC ZINC000825118802 633330045 /nfs/dbraw/zinc/33/00/45/633330045.db2.gz XLTWUOBULHTNMW-ZDUSSCGKSA-N -1 3 297.782 3.033 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(C(F)F)cc1 ZINC000869153468 633408893 /nfs/dbraw/zinc/40/88/93/633408893.db2.gz CLHYYPCQZFDHPS-JTQLQIEISA-N -1 3 269.291 3.179 20 30 CGEDHM CC1(C)[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@@H]2CCO[C@@H]21 ZINC000123239378 633613673 /nfs/dbraw/zinc/61/36/73/633613673.db2.gz GUVXUQXCXNGLSQ-PIBVMBOKSA-N -1 3 279.767 3.278 20 30 CGEDHM CC(=NN[C@H](C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000834996824 634305408 /nfs/dbraw/zinc/30/54/08/634305408.db2.gz WOQWORIAUNSVAW-SSDOTTSWSA-N -1 3 280.677 3.310 20 30 CGEDHM C=CCCCCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000837557928 634933346 /nfs/dbraw/zinc/93/33/46/634933346.db2.gz WGKBZCKJUGDVHK-UHFFFAOYSA-N -1 3 293.319 3.084 20 30 CGEDHM N#CC1(CO[N-]C(=O)Cc2cccc3ccccc32)CCC1 ZINC000842030092 635259882 /nfs/dbraw/zinc/25/98/82/635259882.db2.gz PQTSPOMVFBFTGH-UHFFFAOYSA-N -1 3 294.354 3.124 20 30 CGEDHM N#CC1(CNCc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC000846011322 636129139 /nfs/dbraw/zinc/12/91/39/636129139.db2.gz SCQAPPZTAOJLIF-UHFFFAOYSA-N -1 3 282.746 3.358 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCCOc1cccc(C)c1 ZINC000846539811 636196023 /nfs/dbraw/zinc/19/60/23/636196023.db2.gz ODCZVNPSAPSTLW-UHFFFAOYSA-N -1 3 277.364 3.168 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCCC(=O)c1ccccc1 ZINC000846545120 636197091 /nfs/dbraw/zinc/19/70/91/636197091.db2.gz MGCWILJKYZHATH-ZDUSSCGKSA-N -1 3 275.348 3.052 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000846549199 636198610 /nfs/dbraw/zinc/19/86/10/636198610.db2.gz PAGGEDJWSIDSGZ-LBPRGKRZSA-N -1 3 261.365 3.149 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC000846549699 636200046 /nfs/dbraw/zinc/20/00/46/636200046.db2.gz RZVOATWXHRVQRL-OLZOCXBDSA-N -1 3 277.364 3.201 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cccc(OCC=C(C)C)c1 ZINC000846553444 636200862 /nfs/dbraw/zinc/20/08/62/636200862.db2.gz AWVYFCMKCGNJBH-CQSZACIVSA-N -1 3 289.375 3.196 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCSc1ccc(OC)cc1 ZINC000846555170 636202128 /nfs/dbraw/zinc/20/21/28/636202128.db2.gz OWEYFRWPVZNNAZ-LBPRGKRZSA-N -1 3 295.404 3.190 20 30 CGEDHM C#CC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000849345216 636815404 /nfs/dbraw/zinc/81/54/04/636815404.db2.gz WTJMEPFMRVGPNK-LBPRGKRZSA-N -1 3 291.778 3.274 20 30 CGEDHM C[C@@H]1CCCCN1N=Cc1cc(Cl)ccc1[O-] ZINC000853378468 637827718 /nfs/dbraw/zinc/82/77/18/637827718.db2.gz DFSPLEMWZUVFQT-SNVBAGLBSA-N -1 3 252.745 3.254 20 30 CGEDHM COc1cc2[nH]c(-c3ccc(C#N)cc3[O-])nc2cc1Cl ZINC001251332007 805882921 /nfs/dbraw/zinc/88/29/21/805882921.db2.gz FRSRSLZAXNEBFX-UHFFFAOYSA-N -1 3 299.717 3.469 20 30 CGEDHM C[Si](C)(C)C#Cc1ccnc(NCc2ncccc2[O-])c1 ZINC001158775953 806001389 /nfs/dbraw/zinc/00/13/89/806001389.db2.gz OBZVRAWFQQDWAN-UHFFFAOYSA-N -1 3 297.434 3.023 20 30 CGEDHM C=C[C@](C)(O)CNc1cc(Cl)cc(Cl)c1[O-] ZINC001252564168 806067331 /nfs/dbraw/zinc/06/73/31/806067331.db2.gz COBARORKFIXCOE-NSHDSACASA-N -1 3 262.136 3.048 20 30 CGEDHM N#Cc1ccccc1-c1cn(-c2cc(Cl)ccc2[O-])nn1 ZINC001254167621 806358907 /nfs/dbraw/zinc/35/89/07/806358907.db2.gz VUZSVGZLIWKRFI-UHFFFAOYSA-N -1 3 296.717 3.165 20 30 CGEDHM [O-]N=C(Nc1ccccn1)c1ccc(OC(F)(F)F)cc1 ZINC001163761732 806819553 /nfs/dbraw/zinc/81/95/53/806819553.db2.gz KPVVGJHQTBLOGL-UHFFFAOYSA-N -1 3 297.236 3.228 20 30 CGEDHM CC[C@@H](N[C@@H](C)c1nccn1CC)c1cccc(C#N)c1[O-] ZINC000822658633 800463469 /nfs/dbraw/zinc/46/34/69/800463469.db2.gz FWGLPROXVSBOCD-SWLSCSKDSA-N -1 3 298.390 3.282 20 30 CGEDHM C=C(C)CN(CC)C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001165140874 806972041 /nfs/dbraw/zinc/97/20/41/806972041.db2.gz CVTHWWNCWGHHLQ-UHFFFAOYSA-N 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JZXDNKLQLVQWKS-UHFFFAOYSA-N -1 3 279.409 3.232 20 30 CGEDHM N#Cc1nc(Cl)ccc1Nc1cc(F)cc(F)c1[O-] ZINC001212477662 815033963 /nfs/dbraw/zinc/03/39/63/815033963.db2.gz KZRWNZHNBMDSJF-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM C=CCCNC(=S)Nc1c([O-])cccc1C(F)(F)F ZINC001247655514 804794005 /nfs/dbraw/zinc/79/40/05/804794005.db2.gz NIYGECQCTQSKII-UHFFFAOYSA-N -1 3 290.310 3.274 20 30 CGEDHM C=CCCCCN(C)Cc1cc(F)c([O-])cc1F ZINC001144660162 805027022 /nfs/dbraw/zinc/02/70/22/805027022.db2.gz VLBFWASDBICAMH-UHFFFAOYSA-N -1 3 255.308 3.459 20 30 CGEDHM C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001148616968 805200606 /nfs/dbraw/zinc/20/06/06/805200606.db2.gz BXHPWHUYYWAFNK-JTQLQIEISA-N -1 3 284.290 3.411 20 30 CGEDHM CNc1ccc(C#N)cc1Nc1cccc([O-])c1F ZINC001212552452 815065135 /nfs/dbraw/zinc/06/51/35/815065135.db2.gz SBORHJMRDUJQLT-UHFFFAOYSA-N -1 3 257.268 3.188 20 30 CGEDHM N#Cc1cc(Nc2cccc([O-])c2F)cc(F)c1F ZINC001212552167 815065494 /nfs/dbraw/zinc/06/54/94/815065494.db2.gz DMRUBOACGTWPDI-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2cccs2)cc1 ZINC001171365984 808036930 /nfs/dbraw/zinc/03/69/30/808036930.db2.gz OVQISRKUJWPBBE-HZMBPMFUSA-N -1 3 288.372 3.063 20 30 CGEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])cc1F ZINC001173863245 808721235 /nfs/dbraw/zinc/72/12/35/808721235.db2.gz BFMMWXRKUKCNCO-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM CCCn1cc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001174218711 808907608 /nfs/dbraw/zinc/90/76/08/808907608.db2.gz HUQNJIRALXIPIC-UHFFFAOYSA-N -1 3 273.340 3.194 20 30 CGEDHM COc1c(F)ccc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001174663835 809123390 /nfs/dbraw/zinc/12/33/90/809123390.db2.gz NROXZEBIXACWDD-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM CC(C)n1ncc(C#N)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213375046 815272253 /nfs/dbraw/zinc/27/22/53/815272253.db2.gz NCNAERPKKODNOA-UHFFFAOYSA-N -1 3 278.262 3.063 20 30 CGEDHM N#Cc1ncc(Cl)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213377230 815273512 /nfs/dbraw/zinc/27/35/12/815273512.db2.gz DFOTYBHCATZRSC-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM N#Cc1cn(-c2cc(F)c([O-])c(F)c2)c2cc(N)ccc12 ZINC001213386492 815274588 /nfs/dbraw/zinc/27/45/88/815274588.db2.gz GEJZJFCULYENEM-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM N#Cc1sccc1Nc1c(F)cc([O-])cc1F ZINC001175095686 809268932 /nfs/dbraw/zinc/26/89/32/809268932.db2.gz KFDNNROFZRLHBN-UHFFFAOYSA-N -1 3 252.245 3.347 20 30 CGEDHM Cc1cc([O-])ccc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001186167170 810318433 /nfs/dbraw/zinc/31/84/33/810318433.db2.gz IVCMSAOVFKLZJG-UHFFFAOYSA-N -1 3 298.367 3.375 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cc(Cl)ccc2C)o1 ZINC001188701725 810504455 /nfs/dbraw/zinc/50/44/55/810504455.db2.gz FCAFBSJJOZHMPU-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM N#Cc1cc([O-])ccc1NC(=O)NC1CCCCCC1 ZINC001191272822 810695740 /nfs/dbraw/zinc/69/57/40/810695740.db2.gz JUSLBWDSFGPIHH-UHFFFAOYSA-N -1 3 273.336 3.108 20 30 CGEDHM CC(C)(C)c1ccc(C(=O)NCC2(C#N)CCC2)c([O-])c1 ZINC001192336215 810788395 /nfs/dbraw/zinc/78/83/95/810788395.db2.gz VGLCUFLOWOWSOJ-UHFFFAOYSA-N -1 3 286.375 3.113 20 30 CGEDHM CCCOc1cc([N-]c2oncc2C#N)c(Cl)cn1 ZINC001214732873 815446509 /nfs/dbraw/zinc/44/65/09/815446509.db2.gz LKKWHKBMZHDZBP-UHFFFAOYSA-N -1 3 278.699 3.127 20 30 CGEDHM N#Cc1cc(F)c(Nc2cncc([O-])c2)c(Cl)c1 ZINC001201642628 811929909 /nfs/dbraw/zinc/92/99/09/811929909.db2.gz WVINBYHQUWZFKG-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM Cc1cc(-c2noc(-c3ccccc3[O-])n2)ccc1C#N ZINC001215141852 815487794 /nfs/dbraw/zinc/48/77/94/815487794.db2.gz CPMVQZIODMTDQW-UHFFFAOYSA-N -1 3 277.283 3.289 20 30 CGEDHM CCOc1cc(C)c(Nc2cc(C#N)ccc2[O-])cn1 ZINC001203046670 812228211 /nfs/dbraw/zinc/22/82/11/812228211.db2.gz XKQFJCZDUIRBHA-UHFFFAOYSA-N -1 3 269.304 3.110 20 30 CGEDHM N#Cc1cn(-c2cc(F)c([O-])cc2F)c2cc(N)ccc12 ZINC001215575979 815538340 /nfs/dbraw/zinc/53/83/40/815538340.db2.gz IJICIWWNRUQVOJ-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM N#Cc1sccc1Nc1cc(F)c([O-])cc1F ZINC001215571798 815537736 /nfs/dbraw/zinc/53/77/36/815537736.db2.gz HESSMMXNGUABPU-UHFFFAOYSA-N -1 3 252.245 3.347 20 30 CGEDHM CCc1nnc([N-]c2c(C)cc(C#N)cc2C)s1 ZINC001215645147 815550935 /nfs/dbraw/zinc/55/09/35/815550935.db2.gz DLPMNYVGNTXYTQ-UHFFFAOYSA-N -1 3 258.350 3.333 20 30 CGEDHM Cc1nn(C)c2ccc(Nc3cc(C#N)ccc3[O-])cc12 ZINC001204870171 812758370 /nfs/dbraw/zinc/75/83/70/812758370.db2.gz KRZLPZXPXIJKLB-UHFFFAOYSA-N -1 3 278.315 3.203 20 30 CGEDHM COc1cc(-c2ccc([O-])cc2C(F)(F)F)ncc1C#N ZINC001205065941 812845198 /nfs/dbraw/zinc/84/51/98/812845198.db2.gz ATSPHAFBFBPPCO-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM COc1ccc(C(C)=O)cc1Nc1ccc(C#N)cc1[O-] ZINC001210079312 814277445 /nfs/dbraw/zinc/27/74/45/814277445.db2.gz CCJOIOSZHGIZLO-UHFFFAOYSA-N -1 3 282.299 3.219 20 30 CGEDHM Cc1cc(C#N)ccc1Nc1cc(Cl)ncc1[O-] ZINC001210374825 814430410 /nfs/dbraw/zinc/43/04/10/814430410.db2.gz SNPZLBVVTZBDSN-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM Cc1cc(C#N)cc(C)c1Nc1ccc([O-])c(C#N)c1 ZINC001210528984 814510963 /nfs/dbraw/zinc/51/09/63/814510963.db2.gz BTVWSKHPUIDRJG-UHFFFAOYSA-N -1 3 263.300 3.496 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cccnc2OC(F)F)c1 ZINC001210628014 814563607 /nfs/dbraw/zinc/56/36/07/814563607.db2.gz VOLPLEVLUDEAFO-UHFFFAOYSA-N -1 3 277.230 3.004 20 30 CGEDHM Cc1cc(Nc2ncc(Cl)cc2[O-])ccc1C#N ZINC001210805817 814636506 /nfs/dbraw/zinc/63/65/06/814636506.db2.gz KWQJCPDMRHADIK-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM Cc1cnc(C#N)c(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242781531 823131778 /nfs/dbraw/zinc/13/17/78/823131778.db2.gz KLRDOHNHUNRFJB-UHFFFAOYSA-N -1 3 279.221 3.048 20 30 CGEDHM COc1ccc(C#N)c(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242783913 823132045 /nfs/dbraw/zinc/13/20/45/823132045.db2.gz WJHVIYZYFBRLJY-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM CSc1cncc(Nc2cc(C#N)ccc2[O-])c1 ZINC001211072793 814731972 /nfs/dbraw/zinc/73/19/72/814731972.db2.gz IUEHDXFMQUPDDR-UHFFFAOYSA-N -1 3 257.318 3.124 20 30 CGEDHM Cc1ccc([N+](=O)[O-])cc1Nc1c([O-])cccc1C#N ZINC001211289656 814871921 /nfs/dbraw/zinc/87/19/21/814871921.db2.gz HMQZDBHOYRNORK-UHFFFAOYSA-N -1 3 269.260 3.224 20 30 CGEDHM Cc1cc(Nc2cnc(C#N)c(C)c2)cc([O-])c1F ZINC001216079892 815685964 /nfs/dbraw/zinc/68/59/64/815685964.db2.gz XMQQTUAQTVXUCC-UHFFFAOYSA-N -1 3 257.268 3.158 20 30 CGEDHM CN(C)c1cc(F)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001216161797 815717597 /nfs/dbraw/zinc/71/75/97/815717597.db2.gz KCIXKBWPGOVCHC-UHFFFAOYSA-N -1 3 271.295 3.213 20 30 CGEDHM Cc1nc(Nc2cc(Cl)ccc2[O-])c(C#N)cc1C#N ZINC001216397333 815811199 /nfs/dbraw/zinc/81/11/99/815811199.db2.gz GEYPMNHYBXBREI-UHFFFAOYSA-N -1 3 284.706 3.236 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001222657335 816492670 /nfs/dbraw/zinc/49/26/70/816492670.db2.gz QWJQUMAKBQHFBQ-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001222657335 816492674 /nfs/dbraw/zinc/49/26/74/816492674.db2.gz QWJQUMAKBQHFBQ-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM CO/N=C/c1cc(-c2ccc(F)c([O-])c2)ccc1F ZINC001243046863 823223978 /nfs/dbraw/zinc/22/39/78/823223978.db2.gz OIYVYXUQHGDPKY-CAOOACKPSA-N -1 3 263.243 3.318 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1ccc2c([O-])coc2c1 ZINC001225340379 817018277 /nfs/dbraw/zinc/01/82/77/817018277.db2.gz KPRHEBWJVYMTDU-VIFPVBQESA-N -1 3 266.362 3.128 20 30 CGEDHM N#C[C@@H](Oc1ccc2c([O-])coc2c1)c1ccccc1F ZINC001225340316 817018421 /nfs/dbraw/zinc/01/84/21/817018421.db2.gz IABXBTQIVLMCJN-MRXNPFEDSA-N -1 3 283.258 3.044 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2c(F)cccc2F)[n-]1 ZINC001225466447 817061716 /nfs/dbraw/zinc/06/17/16/817061716.db2.gz DPHJIDUVIZJFHF-VIFPVBQESA-N -1 3 290.269 3.386 20 30 CGEDHM Cc1ccc([C@H](C)Oc2[n-]c(C)cc(=O)c2C#N)cc1 ZINC001225469031 817062274 /nfs/dbraw/zinc/06/22/74/817062274.db2.gz GGIVWVWMESGKRE-LBPRGKRZSA-N -1 3 268.316 3.416 20 30 CGEDHM CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225469053 817062589 /nfs/dbraw/zinc/06/25/89/817062589.db2.gz XKYWBEYQTCGFQH-HNNXBMFYSA-N -1 3 292.338 3.176 20 30 CGEDHM Cc1ccc2c(c1)[C@@H](Oc1[n-]c(C)cc(=O)c1C#N)CC2 ZINC001225467842 817063188 /nfs/dbraw/zinc/06/31/88/817063188.db2.gz YSAYTRKJJPMWJF-INIZCTEOSA-N -1 3 280.327 3.342 20 30 CGEDHM C=C[C@@H](CCCCCC)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226238220 817307188 /nfs/dbraw/zinc/30/71/88/817307188.db2.gz QGVAGAWIYVUZQQ-LBPRGKRZSA-N -1 3 278.352 3.289 20 30 CGEDHM C=C[C@@H](CCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481074 817371179 /nfs/dbraw/zinc/37/11/79/817371179.db2.gz CBCLKFDYOYIYGO-JTQLQIEISA-N -1 3 250.294 3.034 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@H]2C[C@H](OCc3ccccc3)C2)c1 ZINC001227352078 817631359 /nfs/dbraw/zinc/63/13/59/817631359.db2.gz ACVMZXIRXGJEAN-WKILWMFISA-N -1 3 295.338 3.390 20 30 CGEDHM C=C[C@H](CCCCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820474 817726602 /nfs/dbraw/zinc/72/66/02/817726602.db2.gz WDBGLZFYAYVDPI-LLVKDONJSA-N -1 3 279.336 3.088 20 30 CGEDHM C=CC[C@H](CCCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227823926 817726957 /nfs/dbraw/zinc/72/69/57/817726957.db2.gz ACUNDYIUKKPBBY-LLVKDONJSA-N -1 3 279.336 3.088 20 30 CGEDHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCC(C#N)CC1 ZINC001228628014 817956812 /nfs/dbraw/zinc/95/68/12/817956812.db2.gz HOGIBQBNTXEJEE-UHFFFAOYSA-N -1 3 299.326 3.268 20 30 CGEDHM C#C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)[C@@H](CC)CCCC ZINC001228697262 817977229 /nfs/dbraw/zinc/97/72/29/817977229.db2.gz ISCGGTHCCGSJPR-DZGCQCFKSA-N -1 3 298.390 3.464 20 30 CGEDHM N#CC[C@H]1CCCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733752 818161341 /nfs/dbraw/zinc/16/13/41/818161341.db2.gz GDXXWDSMWHSPFJ-LLVKDONJSA-N -1 3 264.756 3.171 20 30 CGEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc([O-])c1Cl ZINC001232788390 818441937 /nfs/dbraw/zinc/44/19/37/818441937.db2.gz RHBTUMZAOYWTPT-UOJUARBOSA-N -1 3 276.767 3.312 20 30 CGEDHM C=C1O[C@H](CC)C(=O)C1Oc1cc(Cl)c([O-])cc1C ZINC001233591530 818652307 /nfs/dbraw/zinc/65/23/07/818652307.db2.gz GXIQAWNKJORBFK-LLVKDONJSA-N -1 3 282.723 3.342 20 30 CGEDHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CC[C@@H](C#N)C1 ZINC001233591979 818652555 /nfs/dbraw/zinc/65/25/55/818652555.db2.gz ITEZYJFEVFNYLG-NXEZZACHSA-N -1 3 251.713 3.425 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1cccnc1 ZINC001233801426 818706997 /nfs/dbraw/zinc/70/69/97/818706997.db2.gz ZRHPLJOACKPBQL-DTQASYIRSA-N -1 3 272.304 3.038 20 30 CGEDHM C=CC[C@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234148251 818792307 /nfs/dbraw/zinc/79/23/07/818792307.db2.gz GEIGHQOUTACZKJ-AWEZNQCLSA-N -1 3 283.327 3.187 20 30 CGEDHM C=C(C)C(=O)OC[C@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234263437 818820054 /nfs/dbraw/zinc/82/00/54/818820054.db2.gz BBVPTENXPSPMCZ-QMMMGPOBSA-N -1 3 288.702 3.071 20 30 CGEDHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1C#N ZINC001234447891 818857369 /nfs/dbraw/zinc/85/73/69/818857369.db2.gz QPBOLZZZDZNILK-SNVBAGLBSA-N -1 3 279.299 3.280 20 30 CGEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H]3CCC=CCCC3)c12 ZINC001234514244 818871282 /nfs/dbraw/zinc/87/12/82/818871282.db2.gz UFVNQRKWKVWPQS-ZDUSSCGKSA-N -1 3 295.342 3.475 20 30 CGEDHM CC#CC[C@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792481 818923693 /nfs/dbraw/zinc/92/36/93/818923693.db2.gz BPKUEADFWKSTPP-ZDUSSCGKSA-N -1 3 290.359 3.483 20 30 CGEDHM C#C[C@@H]1CCC[C@H]1Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234793835 818924491 /nfs/dbraw/zinc/92/44/91/818924491.db2.gz VOLDORBDPLZUPP-TZMCWYRMSA-N -1 3 288.343 3.093 20 30 CGEDHM COc1cccc(-c2ccccc2C=N[O-])c1OC ZINC001239819961 820635195 /nfs/dbraw/zinc/63/51/95/820635195.db2.gz RLXGUKLBXGADJA-UHFFFAOYSA-N -1 3 257.289 3.179 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2cccc(-n3cccn3)c2)c1 ZINC001240250798 820919619 /nfs/dbraw/zinc/91/96/19/820919619.db2.gz VDNLXWODZKKHTC-YBFXNURJSA-N -1 3 281.290 3.487 20 30 CGEDHM COc1ccc(-c2cccc(/C=N/[O-])c2)c(OC)c1OC ZINC001240932267 821424445 /nfs/dbraw/zinc/42/44/45/821424445.db2.gz OXUJDTAPSJUISW-LICLKQGHSA-N -1 3 287.315 3.188 20 30 CGEDHM COC(=O)c1ccc(-c2ccc(F)cc2[O-])cc1CC#N ZINC001242219180 822915481 /nfs/dbraw/zinc/91/54/81/822915481.db2.gz LTDGZDIMUFUYIQ-UHFFFAOYSA-N -1 3 285.274 3.051 20 30 CGEDHM Cc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1CO ZINC001242385633 822977316 /nfs/dbraw/zinc/97/73/16/822977316.db2.gz CXQRIKCIEXPZRY-CAOOACKPSA-N -1 3 259.280 3.102 20 30 CGEDHM N#Cc1cc(-c2ccc3c(c2)CC/C3=N/O)ccc1[O-] ZINC001242567171 823037262 /nfs/dbraw/zinc/03/72/62/823037262.db2.gz QAQBHGSASIAXQI-SDXDJHTJSA-N -1 3 264.284 3.055 20 30 CGEDHM N#CC(=C([O-])c1ccc2ccccc2n1)c1cccc(F)n1 ZINC001342557965 936469758 /nfs/dbraw/zinc/46/97/58/936469758.db2.gz LBTQURNQTRMNKJ-LBPRGKRZSA-N -1 3 291.285 3.259 20 30 CGEDHM Cc1cccc(F)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001353962422 937084725 /nfs/dbraw/zinc/08/47/25/937084725.db2.gz FIPKEQQEPDSDQW-UHFFFAOYSA-N -1 3 277.270 3.305 20 30 CGEDHM CCCCN([O-])C(=O)CCc1cc(Cl)cs1 ZINC001458019810 937448453 /nfs/dbraw/zinc/44/84/53/937448453.db2.gz AVKNXZZOCOGEMT-UHFFFAOYSA-N -1 3 261.774 3.352 20 30 CGEDHM CCCCN([O-])C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001458020546 937448636 /nfs/dbraw/zinc/44/86/36/937448636.db2.gz FEEBTNFGYHWOAG-GFCCVEGCSA-N -1 3 265.353 3.207 20 30 CGEDHM CCCCN([O-])C(=O)Cc1c(C)cccc1Cl ZINC001458019774 937448690 /nfs/dbraw/zinc/44/86/90/937448690.db2.gz AEGACYJJQNWAEW-UHFFFAOYSA-N -1 3 255.745 3.209 20 30 CGEDHM C=C[C@H](CCC)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231091592 932677402 /nfs/dbraw/zinc/67/74/02/932677402.db2.gz XPOFFPHFHPTCEB-SECBINFHSA-N -1 3 299.754 3.351 20 30 CGEDHM CCCCCCN([O-])C(=O)C(C)(C)C(C)(F)F ZINC001306896988 932893015 /nfs/dbraw/zinc/89/30/15/932893015.db2.gz UUKFQSHUGBZFLV-UHFFFAOYSA-N -1 3 251.317 3.466 20 30 CGEDHM CCCCCCCCCCNC(=O)c1cnncc1[O-] ZINC001465826434 937703720 /nfs/dbraw/zinc/70/37/20/937703720.db2.gz WEJXWGSQQKAECC-UHFFFAOYSA-N -1 3 279.384 3.053 20 30 CGEDHM Cc1cnc(F)c(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001472620234 937778429 /nfs/dbraw/zinc/77/84/29/937778429.db2.gz UKQGKAUBCIJFJZ-UHFFFAOYSA-N -1 3 294.713 3.214 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001472621470 937777863 /nfs/dbraw/zinc/77/78/63/937777863.db2.gz VVQCYROERJILFP-QWHCGFSZSA-N -1 3 299.411 3.152 20 30 CGEDHM CSc1cc(F)ccc1[N-]C(=O)c1coc(C#N)c1 ZINC001529660035 938074034 /nfs/dbraw/zinc/07/40/34/938074034.db2.gz BHZIHZZYGXVCPH-UHFFFAOYSA-N -1 3 276.292 3.265 20 30 CGEDHM O=C(c1cc(Cl)ccn1)N([O-])Cc1ccccc1Cl ZINC001559033217 938150602 /nfs/dbraw/zinc/15/06/02/938150602.db2.gz ACXSVGGWHUPORF-UHFFFAOYSA-N -1 3 297.141 3.420 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001559035650 938219227 /nfs/dbraw/zinc/21/92/27/938219227.db2.gz ZZLCYPPDKBXLCJ-KBPBESRZSA-N -1 3 269.385 3.132 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001559035651 938219312 /nfs/dbraw/zinc/21/93/12/938219312.db2.gz ZZLCYPPDKBXLCJ-KGLIPLIRSA-N -1 3 269.385 3.132 20 30 CGEDHM C=CC[C@@H]1CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001560206467 938247051 /nfs/dbraw/zinc/24/70/51/938247051.db2.gz YXRSVBHYTQTAFG-CYBMUJFWSA-N -1 3 279.767 3.399 20 30 CGEDHM CCN(Cc1ccc(Cl)cc1[O-])C[C@@H](C)C#N ZINC001560693285 938270906 /nfs/dbraw/zinc/27/09/06/938270906.db2.gz CEHGUXYPNKPEGD-JTQLQIEISA-N -1 3 252.745 3.027 20 30 CGEDHM C=CC[C@H](CC)Nc1cc(C)cc(F)c1-c1nnn[n-]1 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CC(=O)c1ccc(C(=O)[N-]c2sc(C)c(C)c2C#N)o1 ZINC000335392633 208357812 /nfs/dbraw/zinc/35/78/12/208357812.db2.gz JNESWYCRJKGNPC-UHFFFAOYSA-N -1 3 288.328 3.285 20 30 CGEDHM CC(C)Cn1cc(/C=C2\Cc3c(cccc3[O-])C2=O)cn1 ZINC000180723528 392711440 /nfs/dbraw/zinc/71/14/40/392711440.db2.gz IOZXCEHUKCLYRK-AWNIVKPZSA-N -1 3 282.343 3.067 20 30 CGEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000354208264 393241324 /nfs/dbraw/zinc/24/13/24/393241324.db2.gz OQDAWXWFCUKANE-LBPRGKRZSA-N -1 3 286.253 3.289 20 30 CGEDHM CC(=O)c1cccc(NC(=O)CCCCCC#N)c1[O-] ZINC000648904399 393286440 /nfs/dbraw/zinc/28/64/40/393286440.db2.gz VQFANZNPXVEAPM-UHFFFAOYSA-N -1 3 274.320 3.007 20 30 CGEDHM CN(C)c1ccc(/C=C/C(=O)c2cccc([O-])c2)cc1 ZINC000009694371 170384591 /nfs/dbraw/zinc/38/45/91/170384591.db2.gz VZXBTKOMYVEZHM-DHZHZOJOSA-N -1 3 267.328 3.354 20 30 CGEDHM C=C(C)CN(CC)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000652370054 418957411 /nfs/dbraw/zinc/95/74/11/418957411.db2.gz NRSHJIKWJOWDJX-LLVKDONJSA-N -1 3 251.326 3.245 20 30 CGEDHM CCCCCc1cc(C([O-])=C(C#N)c2ccccn2)n[nH]1 ZINC000659028341 418958116 /nfs/dbraw/zinc/95/81/16/418958116.db2.gz KKPKRLAQFBQUBX-CYBMUJFWSA-N -1 3 282.347 3.027 20 30 CGEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000657036799 419226288 /nfs/dbraw/zinc/22/62/88/419226288.db2.gz NTGDYQPVCAXTFK-QWHCGFSZSA-N -1 3 283.393 3.001 20 30 CGEDHM C=CCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000657077020 419227719 /nfs/dbraw/zinc/22/77/19/419227719.db2.gz IUJIGNKQIYWOGK-UHFFFAOYSA-N -1 3 294.203 3.156 20 30 CGEDHM C#CCO[C@H](C)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000297647617 260131113 /nfs/dbraw/zinc/13/11/13/260131113.db2.gz DTWCAEOVLZKTIV-GFCCVEGCSA-N -1 3 290.363 3.008 20 30 CGEDHM N#CC(=C([O-])c1cc2c(s1)CCC2)c1ccccn1 ZINC000105697837 261314668 /nfs/dbraw/zinc/31/46/68/261314668.db2.gz YQJKXGHSVUXQCK-NSHDSACASA-N -1 3 268.341 3.122 20 30 CGEDHM CCCOc1ccc(/C=N/CC(C)(C)OCC)c([O-])c1 ZINC000186945461 262117297 /nfs/dbraw/zinc/11/72/97/262117297.db2.gz MSNVJGMBGJGQKB-GZTJUZNOSA-N -1 3 279.380 3.415 20 30 CGEDHM CCCOc1ccc(/C=N/[C@@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000277417352 263041052 /nfs/dbraw/zinc/04/10/52/263041052.db2.gz OYTFIOFMGJCIRP-MTMUGNLHSA-N -1 3 277.364 3.025 20 30 CGEDHM C=CCN(CCC#N)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000297433557 263204743 /nfs/dbraw/zinc/20/47/43/263204743.db2.gz NNGXCXXFCRBQEM-UHFFFAOYSA-N -1 3 294.782 3.346 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@@H](CC)C2CCOCC2)c1 ZINC000331234125 264173519 /nfs/dbraw/zinc/17/35/19/264173519.db2.gz KFFDEQBPTAUUET-HNNXBMFYSA-N -1 3 291.391 3.464 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)C[C@H](CC#N)c2ccccc2)n1 ZINC000357166343 266258759 /nfs/dbraw/zinc/25/87/59/266258759.db2.gz JOCYEFQEHDUTLK-AWEZNQCLSA-N -1 3 295.342 3.122 20 30 CGEDHM C=CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000357552443 266322240 /nfs/dbraw/zinc/32/22/40/266322240.db2.gz MLXIQOHFZWSGTR-UHFFFAOYSA-N -1 3 295.342 3.232 20 30 CGEDHM C=CCCCC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000531121165 327406010 /nfs/dbraw/zinc/40/60/10/327406010.db2.gz HAOWSEKAXAIGKV-UHFFFAOYSA-N -1 3 269.348 3.102 20 30 CGEDHM C=CCCC(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000523289165 333314553 /nfs/dbraw/zinc/31/45/53/333314553.db2.gz CANAXJNGAYZUGZ-UHFFFAOYSA-N -1 3 283.375 3.329 20 30 CGEDHM Cc1ccc2cc(C([O-])=C(C#N)c3ccccn3)ccc2n1 ZINC000136538105 334157255 /nfs/dbraw/zinc/15/72/55/334157255.db2.gz HHTRQLHFWGNTJY-OAHLLOKOSA-N -1 3 287.322 3.428 20 30 CGEDHM N#Cc1cc2c(nc1SCc1ncccc1[O-])CCCC2 ZINC000581049977 336000736 /nfs/dbraw/zinc/00/07/36/336000736.db2.gz SJZKZGJKXYTKRL-UHFFFAOYSA-N -1 3 297.383 3.225 20 30 CGEDHM Cc1nc2c(cccc2C([O-])=C(C#N)c2ccccn2)o1 ZINC000347759253 534627572 /nfs/dbraw/zinc/62/75/72/534627572.db2.gz KGZMNNDSDRKIGD-GFCCVEGCSA-N -1 3 277.283 3.021 20 30 CGEDHM C=CCN(CCc1ccco1)Cc1cc([O-])cc(F)c1 ZINC000351977119 526327041 /nfs/dbraw/zinc/32/70/41/526327041.db2.gz YPPNCRLQAKOBMH-UHFFFAOYSA-N -1 3 275.323 3.355 20 30 CGEDHM C=C(CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000354686611 526878955 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[O-]c1ccc2ccccc2c1/C=N/[C@@H]1CCSC1 ZINC000743043806 572635476 /nfs/dbraw/zinc/63/54/76/572635476.db2.gz AMRMQAVPZXAIFT-GFQQVXNGSA-N -1 3 257.358 3.470 20 30 CGEDHM CC(=NNc1ccc(Cl)nc1)c1cc(F)ccc1[O-] ZINC000743449629 572662917 /nfs/dbraw/zinc/66/29/17/572662917.db2.gz AOJMOPULNVCUTC-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\C[C@H]2CCc3ccccc3C2)c1O ZINC000735228746 572707071 /nfs/dbraw/zinc/70/70/71/572707071.db2.gz GWMXGYLHOJLNLG-XHEYCZLTSA-N -1 3 297.354 3.027 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCC[C@H](SC)C1 ZINC000735229468 572708270 /nfs/dbraw/zinc/70/82/70/572708270.db2.gz ZYXYAECPLBZGEC-GIBJHAEVSA-N -1 3 279.405 3.494 20 30 CGEDHM C=CCCCSCc1ccccc1-c1nnn[n-]1 ZINC000735413183 572717363 /nfs/dbraw/zinc/71/73/63/572717363.db2.gz PLCDVPBTNFRSCC-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM C=CCCCSCc1ccccc1-c1nn[n-]n1 ZINC000735413183 572717366 /nfs/dbraw/zinc/71/73/66/572717366.db2.gz PLCDVPBTNFRSCC-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM CCCCC(CC)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736439135 572792651 /nfs/dbraw/zinc/79/26/51/572792651.db2.gz NXIFOJTVZLOZQU-UHFFFAOYSA-N -1 3 272.356 3.235 20 30 CGEDHM CCCCC(CC)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736439135 572792654 /nfs/dbraw/zinc/79/26/54/572792654.db2.gz NXIFOJTVZLOZQU-UHFFFAOYSA-N -1 3 272.356 3.235 20 30 CGEDHM CCC(=NOCc1cccnc1)c1ccc([O-])cc1 ZINC000746587994 572883513 /nfs/dbraw/zinc/88/35/13/572883513.db2.gz IDHBOCJPNFQDAO-UHFFFAOYSA-N -1 3 256.305 3.118 20 30 CGEDHM [O-]c1ccccc1/C=N/CCc1cc(F)cc(F)c1 ZINC000748584408 572980843 /nfs/dbraw/zinc/98/08/43/572980843.db2.gz PVWVWPCEQSGHOP-VCHYOVAHSA-N -1 3 261.271 3.332 20 30 CGEDHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(C#N)c(F)c1 ZINC000820147724 598195873 /nfs/dbraw/zinc/19/58/73/598195873.db2.gz BPHXCIQJTNKWRV-NSHDSACASA-N -1 3 298.317 3.246 20 30 CGEDHM C=CCCCSCc1cc(-c2nnn[n-]2)ccc1OC ZINC000819740195 607367173 /nfs/dbraw/zinc/36/71/73/607367173.db2.gz SYCUCFDOCGUEIP-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C=CCCCSCc1cc(-c2nn[n-]n2)ccc1OC ZINC000819740195 607367175 /nfs/dbraw/zinc/36/71/75/607367175.db2.gz SYCUCFDOCGUEIP-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C#CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833360015 605133050 /nfs/dbraw/zinc/13/30/50/605133050.db2.gz AKBIADXRGCMQHQ-CQSZACIVSA-N -1 3 285.368 3.301 20 30 CGEDHM C#CCO[N-]C(=O)[C@](C)(CCC)CCCCCC ZINC000812787025 617853048 /nfs/dbraw/zinc/85/30/48/617853048.db2.gz ZJRIAPXOHNORFM-OAHLLOKOSA-N -1 3 253.386 3.444 20 30 CGEDHM CCCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255544664 618661749 /nfs/dbraw/zinc/66/17/49/618661749.db2.gz GWSAACDEYYSBSS-UHFFFAOYSA-N -1 3 287.315 3.343 20 30 CGEDHM C=CCOc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255556803 618670209 /nfs/dbraw/zinc/67/02/09/618670209.db2.gz CESPXAZBFPQLLV-UHFFFAOYSA-N -1 3 285.299 3.119 20 30 CGEDHM CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1[O-] ZINC000926531118 618726762 /nfs/dbraw/zinc/72/67/62/618726762.db2.gz GDRLDDGFTVPUJO-UGFHNGPFSA-N -1 3 296.374 3.207 20 30 CGEDHM C=C[C@@H](CC(=O)[N-]OC[C@H](C)CC)c1ccccc1 ZINC000794863285 619777588 /nfs/dbraw/zinc/77/75/88/619777588.db2.gz HNXIRIIVQKYFMT-KGLIPLIRSA-N -1 3 261.365 3.440 20 30 CGEDHM Cc1cc([O-])c(CN[C@@H](CC#N)C(F)(F)F)c(Cl)c1 ZINC000896696098 620047897 /nfs/dbraw/zinc/04/78/97/620047897.db2.gz GJYJHDSKGYSIPT-NSHDSACASA-N -1 3 292.688 3.288 20 30 CGEDHM COC1(CC/N=C\c2cc(Cl)ccc2[O-])CCC1 ZINC000840705353 620074763 /nfs/dbraw/zinc/07/47/63/620074763.db2.gz FOQZRYZECQAHGE-YBEGLDIGSA-N -1 3 267.756 3.424 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000899231578 620628825 /nfs/dbraw/zinc/62/88/25/620628825.db2.gz RRYFEHNQDYDQMC-YAPWYDGBSA-N -1 3 279.767 3.422 20 30 CGEDHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccc1C ZINC000901375785 620868197 /nfs/dbraw/zinc/86/81/97/620868197.db2.gz JWXRONIVEPVUNS-UHFFFAOYSA-N -1 3 289.306 3.174 20 30 CGEDHM Cc1ccccc1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376734 620868730 /nfs/dbraw/zinc/86/87/30/620868730.db2.gz XPULATGICMNWAY-UHFFFAOYSA-N -1 3 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ZINC000810720298 630934271 /nfs/dbraw/zinc/93/42/71/630934271.db2.gz IPQWSXVKKPVVSW-UHFFFAOYSA-N -1 3 285.730 3.208 20 30 CGEDHM C#C[C@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000811861483 631127831 /nfs/dbraw/zinc/12/78/31/631127831.db2.gz GRJBUCYDOXYBAA-JTQLQIEISA-N -1 3 293.735 3.491 20 30 CGEDHM C=CCO[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000837048408 634847650 /nfs/dbraw/zinc/84/76/50/634847650.db2.gz RFBZMBZCYQUDIH-SNVBAGLBSA-N -1 3 287.281 3.433 20 30 CGEDHM CCN(CCC#N)Cc1ccc2ccccc2c1[O-] ZINC000816484037 631988809 /nfs/dbraw/zinc/98/88/09/631988809.db2.gz NRLQFZCUTAJJKU-UHFFFAOYSA-N -1 3 254.333 3.281 20 30 CGEDHM C=C[C@@H](CC(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817399261 632136996 /nfs/dbraw/zinc/13/69/96/632136996.db2.gz IMTUYTKNZLOBFU-AWEZNQCLSA-N -1 3 259.349 3.194 20 30 CGEDHM CCN(CCC#N)Cc1cc(Cl)c(C)cc1[O-] ZINC000824555182 633253757 /nfs/dbraw/zinc/25/37/57/633253757.db2.gz CIHGPZXVQHJCSQ-UHFFFAOYSA-N -1 3 252.745 3.090 20 30 CGEDHM Cc1cc([O-])c(CN2CC[C@@](C)(C#N)C2)cc1Cl ZINC000827650363 633507695 /nfs/dbraw/zinc/50/76/95/633507695.db2.gz PSRPIKYIFJEREX-AWEZNQCLSA-N -1 3 264.756 3.090 20 30 CGEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000122896463 633528316 /nfs/dbraw/zinc/52/83/16/633528316.db2.gz YRTKIGNGNNKRJE-JSJZUPIVSA-N -1 3 267.756 3.280 20 30 CGEDHM C[C@@H]1SCC[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000843264200 635628269 /nfs/dbraw/zinc/62/82/69/635628269.db2.gz NEILWMMBNOMTEH-STOMPXAJSA-N -1 3 255.770 3.359 20 30 CGEDHM CC[C@H](C)C[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC ZINC000843264897 635628512 /nfs/dbraw/zinc/62/85/12/635628512.db2.gz DDZQVZGUVXURTB-USBPFXEUSA-N -1 3 297.782 3.442 20 30 CGEDHM C#CC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000844045995 635810038 /nfs/dbraw/zinc/81/00/38/635810038.db2.gz AFQAAWAXWGVQNQ-UHFFFAOYSA-N -1 3 279.339 3.031 20 30 CGEDHM CC1(CNN=Cc2ccc([O-])cc2F)CCCC1 ZINC000844597536 635939947 /nfs/dbraw/zinc/93/99/47/635939947.db2.gz JCMWGRVFWYULCN-UHFFFAOYSA-N -1 3 250.317 3.035 20 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289.762 3.068 20 30 CGEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(CCC)cc2)cc1 ZINC001255218198 806579423 /nfs/dbraw/zinc/57/94/23/806579423.db2.gz YLKYQFRGRLPCJN-UHFFFAOYSA-N -1 3 299.395 3.421 20 30 CGEDHM C#CCN(Cc1cc(C(=O)[O-])c(C)o1)C1CCCCC1 ZINC000688871060 799756076 /nfs/dbraw/zinc/75/60/76/799756076.db2.gz VITDHKMWJYPCRS-UHFFFAOYSA-N -1 3 275.348 3.054 20 30 CGEDHM O=C1OCc2c1cccc2N=Cc1cc(Cl)ccc1[O-] ZINC000809144854 800413150 /nfs/dbraw/zinc/41/31/50/800413150.db2.gz SKHUBVMMKMQXRB-UHFFFAOYSA-N -1 3 287.702 3.467 20 30 CGEDHM CC[C@@H](N[C@H](C)c1nccn1CC)c1cccc(C#N)c1[O-] ZINC000822658632 800463564 /nfs/dbraw/zinc/46/35/64/800463564.db2.gz FWGLPROXVSBOCD-IUODEOHRSA-N -1 3 298.390 3.282 20 30 CGEDHM N#Cc1cc(-c2ccc([O-])cc2Cl)nc(C2CC2)n1 ZINC001245079487 803635123 /nfs/dbraw/zinc/63/51/23/803635123.db2.gz OYTPWWYOBVFIQJ-UHFFFAOYSA-N -1 3 271.707 3.252 20 30 CGEDHM COC(=O)c1ccc(C#N)cc1-c1ccc([O-])cc1Cl ZINC001245082976 803637550 /nfs/dbraw/zinc/63/75/50/803637550.db2.gz 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C[C@@H](COc1cccc(/C=N/[O-])c1)Oc1ccccc1 ZINC001226114061 817275664 /nfs/dbraw/zinc/27/56/64/817275664.db2.gz DLWYNAIYXZCGJI-HNEYUBDGSA-N -1 3 271.316 3.341 20 30 CGEDHM C[C@@H](COCc1ccccc1)Oc1cccc(/C=N/[O-])c1 ZINC001226114908 817276451 /nfs/dbraw/zinc/27/64/51/817276451.db2.gz UEUFIJZOCFTEMC-BGARDKSCSA-N -1 3 285.343 3.479 20 30 CGEDHM C=CC[C@H](Oc1[n-]c(=O)ncc1C(C)=O)c1ccccc1 ZINC001226238142 817307208 /nfs/dbraw/zinc/30/72/08/817307208.db2.gz PRIAHFATAMIPMO-AWEZNQCLSA-N -1 3 284.315 3.081 20 30 CGEDHM N#C[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001226341862 817332505 /nfs/dbraw/zinc/33/25/05/817332505.db2.gz WDDWVHDBOSHBAS-CYBMUJFWSA-N -1 3 288.234 3.083 20 30 CGEDHM C=CC[C@@H](CCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481049 817371791 /nfs/dbraw/zinc/37/17/91/817371791.db2.gz BLIUWJXMWREEMF-NSHDSACASA-N -1 3 264.321 3.424 20 30 CGEDHM C=CC[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)C(C)C ZINC001226482742 817372213 /nfs/dbraw/zinc/37/22/13/817372213.db2.gz PXZWCHGYZQQUAA-CYBMUJFWSA-N -1 3 264.321 3.280 20 30 CGEDHM C=CC[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)C(C)C ZINC001226599318 817409138 /nfs/dbraw/zinc/40/91/38/817409138.db2.gz KWJLAENHFUROKC-CYBMUJFWSA-N -1 3 274.316 3.478 20 30 CGEDHM C=C[C@H](Oc1cc(C)nc(=S)[n-]1)c1ccccc1 ZINC001226802054 817469897 /nfs/dbraw/zinc/46/98/97/817469897.db2.gz FYFKKONPBABTIW-LBPRGKRZSA-N -1 3 258.346 3.380 20 30 CGEDHM CCc1cnc(=S)[n-]c1O[C@@H](CC#N)c1ccccc1 ZINC001227061289 817546479 /nfs/dbraw/zinc/54/64/79/817546479.db2.gz GSRDLBYJMJZSAT-ZDUSSCGKSA-N -1 3 285.372 3.361 20 30 CGEDHM C=CCCCCCC[C@@H](C)Oc1ccc(=O)[n-]n1 ZINC001227093539 817556346 /nfs/dbraw/zinc/55/63/46/817556346.db2.gz NULCUMXRKMRHAV-GFCCVEGCSA-N -1 3 250.342 3.476 20 30 CGEDHM C=C[C@H](C#CC(C)(C)C)Oc1cc(C#N)ccc1[O-] ZINC001227348689 817629547 /nfs/dbraw/zinc/62/95/47/817629547.db2.gz BFQVFMZPAXBQOQ-CYBMUJFWSA-N -1 3 255.317 3.247 20 30 CGEDHM Cc1cnc(F)c([C@@H](C)Oc2cc(C#N)ccc2[O-])c1 ZINC001227348643 817629867 /nfs/dbraw/zinc/62/98/67/817629867.db2.gz AUKBRIMFQSYYBJ-SNVBAGLBSA-N -1 3 272.279 3.246 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H](C#N)c2cccc(F)c2)c1 ZINC001227351812 817631470 /nfs/dbraw/zinc/63/14/70/817631470.db2.gz YTGCRMSNKHPWQE-HNNXBMFYSA-N -1 3 268.247 3.047 20 30 CGEDHM C#C[C@H]1CCC[C@H]1Oc1c([O-])cc(Br)cc1F ZINC001227588957 817677788 /nfs/dbraw/zinc/67/77/88/817677788.db2.gz WMADEIYTSGGLIS-QPUJVOFHSA-N -1 3 299.139 3.475 20 30 CGEDHM C=C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227696473 817696875 /nfs/dbraw/zinc/69/68/75/817696875.db2.gz YAOYNUPQCWMXHV-LBPRGKRZSA-N -1 3 296.286 3.172 20 30 CGEDHM C=CC[C@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1 ZINC001228011191 817784408 /nfs/dbraw/zinc/78/44/08/817784408.db2.gz YEZGESTYKRPVRK-AWEZNQCLSA-N -1 3 293.326 3.427 20 30 CGEDHM N#C[C@H]1CCCCN1Cc1ccc2ccccc2c1[O-] ZINC001231881648 818199905 /nfs/dbraw/zinc/19/99/05/818199905.db2.gz ZYHGDGBIFAHUPR-OAHLLOKOSA-N -1 3 266.344 3.423 20 30 CGEDHM CC(C)C[C@H](Oc1cc([O-])cc(C#N)c1)C(=O)OC(C)C ZINC001234142461 818790355 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821876842 /nfs/dbraw/zinc/87/68/42/821876842.db2.gz PIGRXTKHOWGRII-CNHKJKLMSA-N -1 3 269.279 3.486 20 30 CGEDHM O=C1CCc2cc(-c3ccccc3C=N[O-])ccc21 ZINC001242158565 822899888 /nfs/dbraw/zinc/89/98/88/822899888.db2.gz FVCSRSIHSHLTKQ-UHFFFAOYSA-N -1 3 251.285 3.291 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccc3c(c2)OCCCO3)c1 ZINC001242206197 822909821 /nfs/dbraw/zinc/90/98/21/822909821.db2.gz KGXZIZNUSFEWSS-GZTJUZNOSA-N -1 3 269.300 3.323 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)c(C)s1 ZINC001344322497 936529499 /nfs/dbraw/zinc/52/94/99/936529499.db2.gz QOWFSVFPYYFGTN-JTQLQIEISA-N -1 3 293.779 3.242 20 30 CGEDHM Cc1coc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c1C ZINC001346088425 936837297 /nfs/dbraw/zinc/83/72/97/936837297.db2.gz XTNNFZDACHREEL-AWEZNQCLSA-N -1 3 296.326 3.166 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccccc2)ccc1[O-] ZINC000205335897 928126283 /nfs/dbraw/zinc/12/62/83/928126283.db2.gz SBOLHVAMAJVIIF-CLFYSBASSA-N -1 3 254.285 3.297 20 30 CGEDHM CCCCN([O-])C(=O)C[C@H](C)c1cccc(OC)c1 ZINC001458020549 937448557 /nfs/dbraw/zinc/44/85/57/937448557.db2.gz FEEBTNFGYHWOAG-LBPRGKRZSA-N -1 3 265.353 3.207 20 30 CGEDHM CCCCN([O-])C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458020444 937448711 /nfs/dbraw/zinc/44/87/11/937448711.db2.gz DJYJABJSDVOYAH-UHFFFAOYSA-N -1 3 292.335 3.034 20 30 CGEDHM O=C(C(C1CC1)C1CC1)N([O-])Cc1ccccc1Cl ZINC001457993055 937448743 /nfs/dbraw/zinc/44/87/43/937448743.db2.gz MSCSUYDVJAPKBA-UHFFFAOYSA-N -1 3 279.767 3.494 20 30 CGEDHM C#C[C@H]1CCC[C@H]1Oc1cc(O)cc([O-])c1Br ZINC001229096371 932093421 /nfs/dbraw/zinc/09/34/21/932093421.db2.gz COSQOMMPBASNMP-GZMMTYOYSA-N -1 3 297.148 3.041 20 30 CGEDHM C=CC[C@@H](C)Oc1cccc([O-])c1Br ZINC001229140098 932103487 /nfs/dbraw/zinc/10/34/87/932103487.db2.gz SYFJGURDPAVCIQ-MRVPVSSYSA-N -1 3 257.127 3.498 20 30 CGEDHM CCCCCCN([O-])C(=O)c1nncc2ccccc21 ZINC001306896889 932893109 /nfs/dbraw/zinc/89/31/09/932893109.db2.gz QDCRKRXHELHWQJ-UHFFFAOYSA-N -1 3 273.336 3.042 20 30 CGEDHM Cc1nocc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001472623207 937778296 /nfs/dbraw/zinc/77/82/96/937778296.db2.gz XRFFFWQWMPLSAU-UHFFFAOYSA-N -1 3 282.299 3.168 20 30 CGEDHM CCCCN([O-])C(=O)Cc1cccc(Cl)c1OCC ZINC001472620787 937778646 /nfs/dbraw/zinc/77/86/46/937778646.db2.gz RKGFXAYBHQQUNI-UHFFFAOYSA-N -1 3 285.771 3.299 20 30 CGEDHM CC(F)(F)C1(C(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC001334073676 936083249 /nfs/dbraw/zinc/08/32/49/936083249.db2.gz YSSPLKBBFMGLMF-UHFFFAOYSA-N -1 3 289.709 3.493 20 30 CGEDHM CC(C)(C)c1ccc(N=NCc2ccc([O-])c(F)c2)nn1 ZINC001335768321 936159628 /nfs/dbraw/zinc/15/96/28/936159628.db2.gz OGWGBDPICAHIBB-UHFFFAOYSA-N -1 3 288.326 3.065 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1C[C@@H]1C1CCOCC1 ZINC001549733949 938016160 /nfs/dbraw/zinc/01/61/60/938016160.db2.gz CIGNWTZESSKBJP-JDEPJGEESA-N -1 3 279.767 3.280 20 30 CGEDHM COc1cccc(SC)c1[N-]C(=O)c1coc(C#N)c1 ZINC001525777175 938051417 /nfs/dbraw/zinc/05/14/17/938051417.db2.gz UUMCLGCRFQJFEV-UHFFFAOYSA-N -1 3 288.328 3.134 20 30 CGEDHM CCCCN([O-])C(=O)C1CCc2ccccc2CC1 ZINC001559035396 938219284 /nfs/dbraw/zinc/21/92/84/938219284.db2.gz OSCIROWJOQJTDN-UHFFFAOYSA-N -1 3 261.365 3.200 20 30 CGEDHM C=CC[C@@H]1CC[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573329826 962251366 /nfs/dbraw/zinc/25/13/66/962251366.db2.gz PPUPAFUPIJVYSH-RISCZKNCSA-N -1 3 269.352 3.023 20 30 CGEDHM C=CC[C@@H]1CC[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573329826 962251390 /nfs/dbraw/zinc/25/13/90/962251390.db2.gz PPUPAFUPIJVYSH-RISCZKNCSA-N -1 3 269.352 3.023 20 30 CGEDHM C=CC[C@H]1CC[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573329803 962251568 /nfs/dbraw/zinc/25/15/68/962251568.db2.gz PPUPAFUPIJVYSH-FZMZJTMJSA-N -1 3 269.352 3.023 20 30 CGEDHM C=CC[C@H]1CC[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573329803 962251588 /nfs/dbraw/zinc/25/15/88/962251588.db2.gz PPUPAFUPIJVYSH-FZMZJTMJSA-N -1 3 269.352 3.023 20 30 CGEDHM C=C(C)CSCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588429091 963267752 /nfs/dbraw/zinc/26/77/52/963267752.db2.gz CCPCAIBQARUYBA-UHFFFAOYSA-N -1 3 280.784 3.329 20 30 CGEDHM C=C(C)CSCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588429091 963267768 /nfs/dbraw/zinc/26/77/68/963267768.db2.gz CCPCAIBQARUYBA-UHFFFAOYSA-N -1 3 280.784 3.329 20 30 CGEDHM C[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001593203807 994191060 /nfs/dbraw/zinc/19/10/60/994191060.db2.gz HYTIVGULPOEGLW-NEPJUHHUSA-N -1 3 295.342 3.063 20 30 CGEDHM CCc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041574114 344971612 /nfs/dbraw/zinc/97/16/12/344971612.db2.gz GAKMPDHWFQSLOW-OAHLLOKOSA-N -1 3 279.343 3.146 20 30 CGEDHM Cc1ccc([O-])c(C=NNc2cccc(Cl)c2)n1 ZINC000728777271 571820050 /nfs/dbraw/zinc/82/00/50/571820050.db2.gz FJEJABYHCAYRFA-UHFFFAOYSA-N -1 3 261.712 3.195 20 30 CGEDHM N#Cc1cc(-c2ccc(C[C@@H](O)C3CC3)cc2)ccc1[O-] ZINC000593952586 347122601 /nfs/dbraw/zinc/12/26/01/347122601.db2.gz LVRDPNMIASBWLA-GOSISDBHSA-N -1 3 279.339 3.244 20 30 CGEDHM N#CC1(CC(=O)Nc2ccccc2[O-])CCCCC1 ZINC000596882488 347517795 /nfs/dbraw/zinc/51/77/95/347517795.db2.gz RXGUPIIRVSAOPZ-UHFFFAOYSA-N -1 3 258.321 3.195 20 30 CGEDHM N#CC[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000597176945 347545581 /nfs/dbraw/zinc/54/55/81/347545581.db2.gz JUMKNLLPXJZNTC-NSHDSACASA-N -1 3 264.756 3.171 20 30 CGEDHM C[C@]1(C#N)CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000599362471 347739911 /nfs/dbraw/zinc/73/99/11/347739911.db2.gz NXVKWXMKOQTNDQ-CQSZACIVSA-N -1 3 264.756 3.171 20 30 CGEDHM CCc1cc(=O)[n-]c(CSCc2ccc(C)c(C#N)c2)n1 ZINC000600621374 347815828 /nfs/dbraw/zinc/81/58/28/347815828.db2.gz HTZZIVMPUDGTFR-UHFFFAOYSA-N -1 3 299.399 3.358 20 30 CGEDHM CC[C@@H](C)c1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000600657336 347826960 /nfs/dbraw/zinc/82/69/60/347826960.db2.gz PORSRGBIRUDLFF-RISCZKNCSA-N -1 3 280.393 3.244 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000617787031 349012767 /nfs/dbraw/zinc/01/27/67/349012767.db2.gz GDLCQFWOXRCORH-ZDUSSCGKSA-N -1 3 259.349 3.129 20 30 CGEDHM C=CC[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000628490629 350557492 /nfs/dbraw/zinc/55/74/92/350557492.db2.gz CNQNFFFVQPYCLC-SNVBAGLBSA-N -1 3 265.740 3.084 20 30 CGEDHM C=CC[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000628490950 350558194 /nfs/dbraw/zinc/55/81/94/350558194.db2.gz KYUINEYIDLAOKN-AWEZNQCLSA-N -1 3 291.366 3.279 20 30 CGEDHM CC(C)(C)c1cc([N-]C(=O)c2cocn2)c(C#N)s1 ZINC000271570570 191219808 /nfs/dbraw/zinc/21/98/08/191219808.db2.gz FVKKXOIOXXPFGU-UHFFFAOYSA-N -1 3 275.333 3.158 20 30 CGEDHM Cc1csc([N-]C(=O)c2ccc(C#N)s2)c1C#N ZINC000335657477 212375114 /nfs/dbraw/zinc/37/51/14/212375114.db2.gz QIJRGTKHBSSDQJ-UHFFFAOYSA-N -1 3 273.342 3.114 20 30 CGEDHM CCc1nnc(Sc2ccc([O-])cc2)c(C#N)c1CC ZINC000124206400 370921575 /nfs/dbraw/zinc/92/15/75/370921575.db2.gz WRMNFOAVWNUELJ-UHFFFAOYSA-N -1 3 285.372 3.330 20 30 CGEDHM COc1ccc(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000046440477 369293748 /nfs/dbraw/zinc/29/37/48/369293748.db2.gz WNCWTWZMIUEZEV-GFCCVEGCSA-N -1 3 286.718 3.234 20 30 CGEDHM CSc1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000107408697 370355110 /nfs/dbraw/zinc/35/51/10/370355110.db2.gz MQNOUKUGICDAFX-VIFPVBQESA-N -1 3 274.370 3.355 20 30 CGEDHM CC(C)Oc1ccc([C@H](O)C/N=C/c2ccccc2[O-])cc1 ZINC000115961614 370542495 /nfs/dbraw/zinc/54/24/95/370542495.db2.gz OIWARVYWROKSRV-HDAJJNEKSA-N -1 3 299.370 3.332 20 30 CGEDHM N#CC(=C([O-])c1cnc2c(F)cccc2c1)c1ccccn1 ZINC000429686908 372375521 /nfs/dbraw/zinc/37/55/21/372375521.db2.gz QAQDTDCXSYZNFT-ZDUSSCGKSA-N -1 3 291.285 3.259 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000295820430 372923474 /nfs/dbraw/zinc/92/34/74/372923474.db2.gz VEUPNARGBXSGMV-UHFFFAOYSA-N -1 3 298.211 3.406 20 30 CGEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000439670118 372980386 /nfs/dbraw/zinc/98/03/86/372980386.db2.gz FGXMTWUKRICIEV-LLVKDONJSA-N -1 3 295.367 3.433 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc(C(C)=O)o2)s1 ZINC000447398049 373432957 /nfs/dbraw/zinc/43/29/57/373432957.db2.gz RKJRPQCBSGGZLN-UHFFFAOYSA-N -1 3 288.328 3.230 20 30 CGEDHM C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973697 541902291 /nfs/dbraw/zinc/90/22/91/541902291.db2.gz CAOVMOUWULXQGF-JTQLQIEISA-N -1 3 298.302 3.120 20 30 CGEDHM C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973697 541902295 /nfs/dbraw/zinc/90/22/95/541902295.db2.gz CAOVMOUWULXQGF-JTQLQIEISA-N -1 3 298.302 3.120 20 30 CGEDHM C[C@H](Oc1ccccc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973697 541902299 /nfs/dbraw/zinc/90/22/99/541902299.db2.gz CAOVMOUWULXQGF-JTQLQIEISA-N -1 3 298.302 3.120 20 30 CGEDHM CCS[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329898141 374440150 /nfs/dbraw/zinc/44/01/50/374440150.db2.gz DPBFJBGBENAOLI-DTWKUNHWSA-N -1 3 286.422 3.218 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2coc(C3CCCC3)n2)n1 ZINC000329963418 374445287 /nfs/dbraw/zinc/44/52/87/374445287.db2.gz PXOBFBAIIZMFQK-UHFFFAOYSA-N -1 3 287.319 3.378 20 30 CGEDHM CCc1ccc([O-])c(C(=O)NCC2(CC)CCOCC2)c1 ZINC000330614118 374485332 /nfs/dbraw/zinc/48/53/32/374485332.db2.gz ZRGFGYGDVSJMBU-UHFFFAOYSA-N -1 3 291.391 3.466 20 30 CGEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000188601087 375240609 /nfs/dbraw/zinc/24/06/09/375240609.db2.gz XMKAZIKMIMJNTR-CQSZACIVSA-N -1 3 283.755 3.213 20 30 CGEDHM C=CC[C@H](CC)NC(=O)Cc1ccc([O-])cc1Cl ZINC000337101388 376081091 /nfs/dbraw/zinc/08/10/91/376081091.db2.gz WCUXQWDSIDXAAB-NSHDSACASA-N -1 3 267.756 3.059 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1CCCC(F)(F)C1 ZINC000337737607 376237237 /nfs/dbraw/zinc/23/72/37/376237237.db2.gz BEUZOKSZQZOCNJ-SECBINFHSA-N -1 3 289.351 3.087 20 30 CGEDHM C=CCN(Cc1ccccc1F)[C@@H](CCC)C(=O)[O-] ZINC000571888096 377544396 /nfs/dbraw/zinc/54/43/96/377544396.db2.gz LHYHLKITRGWRBG-AWEZNQCLSA-N -1 3 265.328 3.067 20 30 CGEDHM C=C(C)[C@H](CC(=O)N1CCCc2cccc([O-])c21)OCC ZINC000272542057 378660999 /nfs/dbraw/zinc/66/09/99/378660999.db2.gz RUSZZZRAVKSUJO-HNNXBMFYSA-N -1 3 289.375 3.043 20 30 CGEDHM N#CC(=C([O-])c1ccc(F)c2ccccc12)c1ccncn1 ZINC000361793165 381869900 /nfs/dbraw/zinc/86/99/00/381869900.db2.gz VLISMLGUVGOSKW-AWEZNQCLSA-N -1 3 291.285 3.259 20 30 CGEDHM CCc1cc(=O)[n-]c(CSCc2ccc(C#N)c(C)c2)n1 ZINC000362457358 382000350 /nfs/dbraw/zinc/00/03/50/382000350.db2.gz PSGMCDXLVQDONZ-UHFFFAOYSA-N -1 3 299.399 3.358 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1ccccc1C(F)(F)F ZINC000417623755 393350703 /nfs/dbraw/zinc/35/07/03/393350703.db2.gz JEWIONBMHNIZRQ-LLVKDONJSA-N -1 3 287.281 3.214 20 30 CGEDHM C=CC[C@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000426796699 393452003 /nfs/dbraw/zinc/45/20/03/393452003.db2.gz CZHZFCKXZIUWQX-AWEZNQCLSA-N -1 3 289.306 3.205 20 30 CGEDHM C=CCCC1(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CC1 ZINC000359271754 393542568 /nfs/dbraw/zinc/54/25/68/393542568.db2.gz PXDXENLZWVFDGS-UHFFFAOYSA-N -1 3 281.359 3.184 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000735208720 572708748 /nfs/dbraw/zinc/70/87/48/572708748.db2.gz NRTDIKGWHLGZFN-IHVVCDCBSA-N -1 3 290.750 3.344 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)s1 ZINC000041562690 397611931 /nfs/dbraw/zinc/61/19/31/397611931.db2.gz PUJURZNKNRFJLG-CYBMUJFWSA-N -1 3 285.372 3.262 20 30 CGEDHM C=CC[C@@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000656759305 419211133 /nfs/dbraw/zinc/21/11/33/419211133.db2.gz BQARPCKRSUFIGH-VXGBXAGGSA-N -1 3 263.337 3.327 20 30 CGEDHM O=C(NC1(c2nccs2)CCCC1)c1csc(=O)[n-]1 ZINC000329952955 227995981 /nfs/dbraw/zinc/99/59/81/227995981.db2.gz NNJDJSIEBRPAEW-UHFFFAOYSA-N -1 3 295.389 3.079 20 30 CGEDHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329986387 228007407 /nfs/dbraw/zinc/00/74/07/228007407.db2.gz RUHVIDRVGXNGIG-RKDXNWHRSA-N -1 3 268.382 3.368 20 30 CGEDHM CC(C)c1ccc(C(=O)N2CCC(C)(C#N)CC2)c([O-])c1 ZINC000272513981 263005603 /nfs/dbraw/zinc/00/56/03/263005603.db2.gz JRKOYFZUXUMIQC-UHFFFAOYSA-N -1 3 286.375 3.281 20 30 CGEDHM CCCOc1ccc(/C=N/[C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000277417353 263041154 /nfs/dbraw/zinc/04/11/54/263041154.db2.gz OYTFIOFMGJCIRP-OSMMRYEZSA-N -1 3 277.364 3.025 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc(C#N)cn2)c1 ZINC000107759978 270050190 /nfs/dbraw/zinc/05/01/90/270050190.db2.gz ONDHOMQQFCRALW-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM CCOc1cc(-c2noc(C3(C#N)CCCC3)n2)ccc1[O-] ZINC000278196578 328224560 /nfs/dbraw/zinc/22/45/60/328224560.db2.gz YELWAGGFQVKHPV-UHFFFAOYSA-N -1 3 299.330 3.176 20 30 CGEDHM CC[C@@H](CC#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294882253 328283603 /nfs/dbraw/zinc/28/36/03/328283603.db2.gz FJAPPVUIMFQQOL-HNNXBMFYSA-N -1 3 296.370 3.286 20 30 CGEDHM C=CCCC[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000447943589 330880670 /nfs/dbraw/zinc/88/06/70/330880670.db2.gz KHRRFGAQHRFYJR-UHFFFAOYSA-N -1 3 291.775 3.032 20 30 CGEDHM CCN(Cc1cccc([O-])c1Br)C[C@@H](C)C#N ZINC000459328115 331276367 /nfs/dbraw/zinc/27/63/67/331276367.db2.gz OJXPQWMJOUNQFX-JTQLQIEISA-N -1 3 297.196 3.136 20 30 CGEDHM C=CCn1cccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000488820335 332027526 /nfs/dbraw/zinc/02/75/26/332027526.db2.gz IZJNFVWEBONYIF-UHFFFAOYSA-N -1 3 276.723 3.285 20 30 CGEDHM N#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000236556579 333373716 /nfs/dbraw/zinc/37/37/16/333373716.db2.gz QGQWGVJADCNYES-CQSZACIVSA-N -1 3 292.766 3.248 20 30 CGEDHM COc1cc(-c2noc(-c3cc(C#N)cs3)n2)ccc1[O-] ZINC000350578090 335516252 /nfs/dbraw/zinc/51/62/52/335516252.db2.gz JRVQSRHPWAPKHB-UHFFFAOYSA-N -1 3 299.311 3.051 20 30 CGEDHM CC(C)(C)c1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354481773 526797896 /nfs/dbraw/zinc/79/78/96/526797896.db2.gz YMHVWZNPARHVNH-ZDUSSCGKSA-N -1 3 279.343 3.264 20 30 CGEDHM C=CCn1c(SC[C@@H]2CCC[C@@H](C)C2)n[n-]c1=O ZINC000354505094 527331635 /nfs/dbraw/zinc/33/16/35/527331635.db2.gz JJHXJICPDFFCIO-GHMZBOCLSA-N -1 3 267.398 3.088 20 30 CGEDHM O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)N[O-] ZINC000727868511 571775029 /nfs/dbraw/zinc/77/50/29/571775029.db2.gz TXLWYXDCJOXTKY-UHFFFAOYSA-N -1 3 298.317 3.412 20 30 CGEDHM Cc1ccc([O-])c(C=NN=c2[nH]c3ccccc3s2)n1 ZINC000728778034 571820098 /nfs/dbraw/zinc/82/00/98/571820098.db2.gz OCUXFYMTFCAUSJ-UHFFFAOYSA-N -1 3 284.344 3.151 20 30 CGEDHM C=CCCCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000382475685 572344453 /nfs/dbraw/zinc/34/44/53/572344453.db2.gz HYPTZHBPJZVUFB-UHFFFAOYSA-N -1 3 267.756 3.436 20 30 CGEDHM CCOc1ccc(/C=N/C[C@H](O)c2ccccc2C)c([O-])c1 ZINC000732714035 572478623 /nfs/dbraw/zinc/47/86/23/572478623.db2.gz QDEVPLWZUHJFOE-PYJSORCASA-N -1 3 299.370 3.252 20 30 CGEDHM N#Cc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000737727976 572485526 /nfs/dbraw/zinc/48/55/26/572485526.db2.gz VUBJODUAVPLGIX-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000737727976 572485527 /nfs/dbraw/zinc/48/55/27/572485527.db2.gz VUBJODUAVPLGIX-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM C[C@@H]1CCC[C@@H](CC/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000734366584 572649764 /nfs/dbraw/zinc/64/97/64/572649764.db2.gz YEPGRNSETUVRTD-VGZAMENASA-N -1 3 277.364 3.439 20 30 CGEDHM CCCC(CCC)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448426 572663235 /nfs/dbraw/zinc/66/32/35/572663235.db2.gz OOLMEEISZSALFT-UHFFFAOYSA-N -1 3 296.436 3.105 20 30 CGEDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(C#N)c1 ZINC000743497403 572666930 /nfs/dbraw/zinc/66/69/30/572666930.db2.gz YKJKNNBFSDFXGJ-LLVKDONJSA-N -1 3 297.314 3.023 20 30 CGEDHM C[C@@H](/N=C\c1ccccc1[O-])c1cccc(C#N)c1 ZINC000743501536 572667516 /nfs/dbraw/zinc/66/75/16/572667516.db2.gz MCFMHGOMOHKKNP-OTWJJXBCSA-N -1 3 250.301 3.444 20 30 CGEDHM CC(C)COc1ccc(N=Cc2cccc([O-])c2O)cn1 ZINC000734979058 572694780 /nfs/dbraw/zinc/69/47/80/572694780.db2.gz JEMOPMCNLLLHAZ-UHFFFAOYSA-N -1 3 286.331 3.278 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000735208722 572708845 /nfs/dbraw/zinc/70/88/45/572708845.db2.gz NRTDIKGWHLGZFN-MUBLQREKSA-N -1 3 290.750 3.344 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CSc3ccccc32)c1O ZINC000735414024 572717517 /nfs/dbraw/zinc/71/75/17/572717517.db2.gz BVTOIGCTJLVBEO-PFJSLNBISA-N -1 3 287.340 3.069 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H](C)CCc1cccn1C ZINC000741845838 572720179 /nfs/dbraw/zinc/72/01/79/572720179.db2.gz WZUOMIGEQLWQOK-CYUIRQCWSA-N -1 3 286.375 3.180 20 30 CGEDHM CCCc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000747712603 572942683 /nfs/dbraw/zinc/94/26/83/572942683.db2.gz CQVYVMBCPSQBHY-UHFFFAOYSA-N -1 3 284.359 3.291 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc(Cl)nc2)ccc1[O-] ZINC000748998461 572987966 /nfs/dbraw/zinc/98/79/66/572987966.db2.gz LRJBTRMZBXBXES-DJWKRKHSSA-N -1 3 289.718 3.345 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCCSC1 ZINC000749008240 572988157 /nfs/dbraw/zinc/98/81/57/572988157.db2.gz SRPIEAYIJHLRGU-LLUUXILJSA-N -1 3 255.770 3.360 20 30 CGEDHM CCOc1ccc(/C=N\[C@@H](C)Cc2ccncc2)c([O-])c1 ZINC000749844588 573045498 /nfs/dbraw/zinc/04/54/98/573045498.db2.gz KVFFGBAHUHOFQC-QXGSTRBFSA-N -1 3 284.359 3.236 20 30 CGEDHM CC(C)[C@@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824213404 607652396 /nfs/dbraw/zinc/65/23/96/607652396.db2.gz AQIIGBXWPTUUEX-ZDUSSCGKSA-N -1 3 284.367 3.091 20 30 CGEDHM CC(C)[C@@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824213404 607652398 /nfs/dbraw/zinc/65/23/98/607652398.db2.gz AQIIGBXWPTUUEX-ZDUSSCGKSA-N -1 3 284.367 3.091 20 30 CGEDHM C=CCN(CCc1ccco1)Cc1cc(C(=O)[O-])oc1C ZINC000833374629 605476938 /nfs/dbraw/zinc/47/69/38/605476938.db2.gz VEBTYHVVLQDAAM-UHFFFAOYSA-N -1 3 289.331 3.110 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cnn(C3CCC3)c2)cc(O)c1[O-] ZINC000899380226 620687718 /nfs/dbraw/zinc/68/77/18/620687718.db2.gz FQPWNOOVJIDSQL-WAYWQWQTSA-N -1 3 298.342 3.224 20 30 CGEDHM CCc1onc(C)c1/C=C/C(=O)c1cc(C)c([O-])c(O)c1 ZINC000899380743 620687834 /nfs/dbraw/zinc/68/78/34/620687834.db2.gz JYOLTNPPXUNIPL-AATRIKPKSA-N -1 3 287.315 3.161 20 30 CGEDHM O=C(/C=C/c1ccc([O-])cc1F)c1ccnn1C1CCC1 ZINC000899397483 620688738 /nfs/dbraw/zinc/68/87/38/620688738.db2.gz QOEPGYFPVFXGOH-FNORWQNLSA-N -1 3 286.306 3.349 20 30 CGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822345764 606389468 /nfs/dbraw/zinc/38/94/68/606389468.db2.gz QXEWIOIDHUECBP-VURMDHGXSA-N -1 3 296.355 3.133 20 30 CGEDHM CCCCCCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821056150 606462694 /nfs/dbraw/zinc/46/26/94/606462694.db2.gz MOJCCFXFTOTRPY-UHFFFAOYSA-N -1 3 294.380 3.055 20 30 CGEDHM CCCCCCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821056150 606462696 /nfs/dbraw/zinc/46/26/96/606462696.db2.gz MOJCCFXFTOTRPY-UHFFFAOYSA-N -1 3 294.380 3.055 20 30 CGEDHM C=CCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823899006 607844182 /nfs/dbraw/zinc/84/41/82/607844182.db2.gz HPCGAVLFADFSEM-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM C=CCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823899006 607844183 /nfs/dbraw/zinc/84/41/83/607844183.db2.gz HPCGAVLFADFSEM-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826281573 607884180 /nfs/dbraw/zinc/88/41/80/607884180.db2.gz ZXNQOTBQJIEYJV-BQYQJAHWSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000826281573 607884181 /nfs/dbraw/zinc/88/41/81/607884181.db2.gz ZXNQOTBQJIEYJV-BQYQJAHWSA-N -1 3 296.355 3.133 20 30 CGEDHM C[C@H]1CCC[C@H](CN=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928801 608533758 /nfs/dbraw/zinc/53/37/58/608533758.db2.gz UNCJKEPCWWVIPP-RYUDHWBXSA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@H]1CCC[C@H](CN=Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928801 608533761 /nfs/dbraw/zinc/53/37/61/608533761.db2.gz UNCJKEPCWWVIPP-RYUDHWBXSA-N -1 3 284.367 3.091 20 30 CGEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000825029372 609471310 /nfs/dbraw/zinc/47/13/10/609471310.db2.gz QPOHNLKEEMLZHG-UHFFFAOYSA-N -1 3 290.758 3.108 20 30 CGEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000825029372 609471311 /nfs/dbraw/zinc/47/13/11/609471311.db2.gz QPOHNLKEEMLZHG-UHFFFAOYSA-N -1 3 290.758 3.108 20 30 CGEDHM [O-]c1c(F)cccc1CN=Nc1nccnc1C1CCC1 ZINC000807991928 618034346 /nfs/dbraw/zinc/03/43/46/618034346.db2.gz VXLWJGXNLFQBLU-UHFFFAOYSA-N -1 3 286.310 3.035 20 30 CGEDHM C=CCCOCC/N=C\c1cc(Cl)ccc1[O-] ZINC000254953718 617689756 /nfs/dbraw/zinc/68/97/56/617689756.db2.gz SWJJAFLRRANJPV-GDNBJRDFSA-N -1 3 253.729 3.057 20 30 CGEDHM [O-]c1ccc(Br)cc1C=NOC/C=C/Cl ZINC000811670462 617711384 /nfs/dbraw/zinc/71/13/84/617711384.db2.gz STEBICIJBOJXBH-AODHEHMHSA-N -1 3 290.544 3.258 20 30 CGEDHM C#C[C@@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000890653971 617734015 /nfs/dbraw/zinc/73/40/15/617734015.db2.gz WKBJUVMOROCETO-GFCCVEGCSA-N -1 3 285.368 3.235 20 30 CGEDHM C[C@@H]1C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096838 620762350 /nfs/dbraw/zinc/76/23/50/620762350.db2.gz QVPGPJOTFYFRDC-HQJQHLMTSA-N -1 3 274.147 3.367 20 30 CGEDHM CCc1nc(C)c(CN[C@@H](CC)c2cccc(C#N)c2[O-])o1 ZINC000926476624 618703779 /nfs/dbraw/zinc/70/37/79/618703779.db2.gz BCWLKCXDYUCLCK-AWEZNQCLSA-N -1 3 299.374 3.364 20 30 CGEDHM CSCCON=C1C[C@H](C)c2c1c([O-])ccc2F ZINC000794575204 619768885 /nfs/dbraw/zinc/76/88/85/619768885.db2.gz ZESVZFXNHIGTCO-QMMMGPOBSA-N -1 3 269.341 3.122 20 30 CGEDHM Cc1cc([O-])c(CN2CCC[C@H](C#N)C2)cc1Cl ZINC000896500543 620017899 /nfs/dbraw/zinc/01/78/99/620017899.db2.gz HESBJPSNLGJJPQ-LLVKDONJSA-N -1 3 264.756 3.090 20 30 CGEDHM C#Cc1cccc(N(CC)C(=O)c2cc(C)ccc2[O-])c1 ZINC000103029018 620312178 /nfs/dbraw/zinc/31/21/78/620312178.db2.gz FYFVKMHQIJRBQU-UHFFFAOYSA-N -1 3 279.339 3.349 20 30 CGEDHM N#CC1CCC(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000903408144 621731462 /nfs/dbraw/zinc/73/14/62/621731462.db2.gz FAKXXQOPRWWZGR-MQBCKMQZSA-N -1 3 298.386 3.000 20 30 CGEDHM C=C1CCN(Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC000903892206 621826110 /nfs/dbraw/zinc/82/61/10/621826110.db2.gz XROFBLOTBZQCMY-UHFFFAOYSA-N -1 3 282.343 3.085 20 30 CGEDHM C=C[C@@](C)(CC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173661 621885039 /nfs/dbraw/zinc/88/50/39/621885039.db2.gz NYXFKYGTDQOMQO-AWEZNQCLSA-N -1 3 251.301 3.146 20 30 CGEDHM N#C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC12CCCC2 ZINC000904177781 621885548 /nfs/dbraw/zinc/88/55/48/621885548.db2.gz NXWXVYUTFPQLAI-MRXNPFEDSA-N -1 3 288.322 3.018 20 30 CGEDHM O=C(CCCn1cccc1)N([O-])Cc1ccccc1Cl ZINC000904191117 621886764 /nfs/dbraw/zinc/88/67/64/621886764.db2.gz UESLVPXBXDOYJL-UHFFFAOYSA-N -1 3 292.766 3.340 20 30 CGEDHM CCC1(C(=O)N([O-])Cc2ccccc2Cl)CCOCC1 ZINC000904190335 621886786 /nfs/dbraw/zinc/88/67/86/621886786.db2.gz KIBQCXGTVHOQQH-UHFFFAOYSA-N -1 3 297.782 3.265 20 30 CGEDHM CC#CCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904190452 621886846 /nfs/dbraw/zinc/88/68/46/621886846.db2.gz MKVJTGHAGHUVDK-UHFFFAOYSA-N -1 3 265.740 3.251 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000904204902 621889326 /nfs/dbraw/zinc/88/93/26/621889326.db2.gz VMHJCPWBPYTDEH-GFCCVEGCSA-N -1 3 295.427 3.014 20 30 CGEDHM CCCCN([O-])C(=O)C12CC(c3ccccc3)(C1)C2 ZINC000904212999 621890624 /nfs/dbraw/zinc/89/06/24/621890624.db2.gz KGSCKLWYLCQEJS-UHFFFAOYSA-N -1 3 259.349 3.126 20 30 CGEDHM [O-]c1ccc2ccccc2c1C=NO[C@H]1CCCCO1 ZINC000755822228 625613527 /nfs/dbraw/zinc/61/35/27/625613527.db2.gz GRPPQDDAJIZINP-INIZCTEOSA-N -1 3 271.316 3.423 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccsc2)nc(C)n1 ZINC000916880731 624221084 /nfs/dbraw/zinc/22/10/84/624221084.db2.gz VDRZHNVJSBBCPD-DHCBQETCSA-N -1 3 283.356 3.045 20 30 CGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000916908571 624222298 /nfs/dbraw/zinc/22/22/98/624222298.db2.gz BCDLPDYHAGKUSG-HNNXBMFYSA-N -1 3 296.326 3.112 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=CC[C@H](C)CC3)nc1-2 ZINC000835183179 634385977 /nfs/dbraw/zinc/38/59/77/634385977.db2.gz FKXBVDHSCWQMMA-GXFFZTMASA-N -1 3 294.358 3.189 20 30 CGEDHM CCOC(=O)[C@H](CC1CC1)/N=C/c1cc(Cl)ccc1[O-] ZINC000751889358 626409139 /nfs/dbraw/zinc/40/91/39/626409139.db2.gz AOCOUZXCACJJBY-YRUBURHZSA-N -1 3 295.766 3.196 20 30 CGEDHM CCOC(=O)[C@H](CC1CC1)/N=C\c1cc(Cl)ccc1[O-] ZINC000751889356 626409165 /nfs/dbraw/zinc/40/91/65/626409165.db2.gz AOCOUZXCACJJBY-OLWAXZHHSA-N -1 3 295.766 3.196 20 30 CGEDHM Cc1nnc([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])s1 ZINC000758814760 626860730 /nfs/dbraw/zinc/86/07/30/626860730.db2.gz IDOKHUKQESILEZ-UNDSANKCSA-N -1 3 281.768 3.386 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N\C1CC=CC1 ZINC000759643073 626911516 /nfs/dbraw/zinc/91/15/16/626911516.db2.gz KWPZDHUFKHWUII-ZSOIEALJSA-N -1 3 266.138 3.292 20 30 CGEDHM [O-]c1ccc(Br)cc1C=NOCC(F)(F)F ZINC000764841443 627228865 /nfs/dbraw/zinc/22/88/65/627228865.db2.gz 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CGEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc[n-]c(=O)c2C)C1 ZINC001226072095 817265200 /nfs/dbraw/zinc/26/52/00/817265200.db2.gz YFKSXUPYHKXQQW-CHWSQXEVSA-N -1 3 260.337 3.170 20 30 CGEDHM C#C[C@@H](CCCC)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120990 817279337 /nfs/dbraw/zinc/27/93/37/817279337.db2.gz XGZBBDAISGJSNX-NSHDSACASA-N -1 3 262.378 3.214 20 30 CGEDHM N#CC[C@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1 ZINC001226300212 817324135 /nfs/dbraw/zinc/32/41/35/817324135.db2.gz MZGCEUJANBVTSJ-AWEZNQCLSA-N -1 3 297.383 3.288 20 30 CGEDHM C=CC[C@@H](Oc1cc(=O)[n-]c(CC)n1)c1ccccc1 ZINC001226474648 817368777 /nfs/dbraw/zinc/36/87/77/817368777.db2.gz GDPHDBVMNIDHOV-CYBMUJFWSA-N -1 3 270.332 3.441 20 30 CGEDHM C=CCC[C@@H](CC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481354 817371283 /nfs/dbraw/zinc/37/12/83/817371283.db2.gz FOKDRLXVHYIYAT-LLVKDONJSA-N -1 3 264.321 3.424 20 30 CGEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cc(=O)[n-]c(C)n2)C1 ZINC001226510823 817381164 /nfs/dbraw/zinc/38/11/64/817381164.db2.gz RAMHIUASYDHSCN-OLZOCXBDSA-N -1 3 260.337 3.170 20 30 CGEDHM COc1cccc2c1[C@@H](Oc1cc(C#N)ccc1[O-])CCO2 ZINC001227350336 817629282 /nfs/dbraw/zinc/62/92/82/817629282.db2.gz MQGDHRXQBDLHFB-HNNXBMFYSA-N -1 3 297.310 3.175 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@H]2CCCN(c3ccccc3)C2)c1 ZINC001227349184 817630093 /nfs/dbraw/zinc/63/00/93/817630093.db2.gz FZMRSLYKWLOHIX-INIZCTEOSA-N -1 3 294.354 3.312 20 30 CGEDHM C=C[C@@H](CCC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744187 817710609 /nfs/dbraw/zinc/71/06/09/817710609.db2.gz DUMVHFKOXDQDKM-JTQLQIEISA-N -1 3 261.281 3.205 20 30 CGEDHM C=C[C@@H](CCC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744187 817710613 /nfs/dbraw/zinc/71/06/13/817710613.db2.gz DUMVHFKOXDQDKM-JTQLQIEISA-N -1 3 261.281 3.205 20 30 CGEDHM C[C@H](CC(C)(C)S)Oc1ncc(Cl)cc1[O-] ZINC001227982308 817773123 /nfs/dbraw/zinc/77/31/23/817773123.db2.gz BGSVTKNKCSFILY-SSDOTTSWSA-N -1 3 261.774 3.306 20 30 CGEDHM C#CC[C@H](C)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228134352 817820363 /nfs/dbraw/zinc/82/03/63/817820363.db2.gz NRKUSBAGWREWMY-NSHDSACASA-N -1 3 260.333 3.338 20 30 CGEDHM C[C@H](CS)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228156227 817826809 /nfs/dbraw/zinc/82/68/09/817826809.db2.gz ZEPZBEGCXNLBGS-LLVKDONJSA-N -1 3 288.368 3.320 20 30 CGEDHM CC#CC[C@@H](CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622805 817956695 /nfs/dbraw/zinc/95/66/95/817956695.db2.gz LKQMVFFHDVAYGG-GFCCVEGCSA-N -1 3 286.327 3.378 20 30 CGEDHM C=CC[C@H](CCCC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700905 817980324 /nfs/dbraw/zinc/98/03/24/817980324.db2.gz ZYNBSTQEVCKSAP-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM CC#CC[C@H](CC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228853345 818023850 /nfs/dbraw/zinc/02/38/50/818023850.db2.gz HUCIRHICKHBRRJ-LBPRGKRZSA-N -1 3 258.317 3.092 20 30 CGEDHM C#C[C@H](CCCCC)Oc1ccc2occ([O-])c2c1 ZINC001233677016 818677009 /nfs/dbraw/zinc/67/70/09/818677009.db2.gz DANJUELWKMPDLI-GFCCVEGCSA-N -1 3 258.317 3.223 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC2CCC1CC2 ZINC001233802555 818708434 /nfs/dbraw/zinc/70/84/34/818708434.db2.gz HIQDZHLEBYAMDF-VSUMSYTHSA-N -1 3 275.348 3.461 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H](c2cccnc2)C2CC2)c1 ZINC001234144153 818790253 /nfs/dbraw/zinc/79/02/53/818790253.db2.gz JLCMNKZOYRDGJH-MRXNPFEDSA-N -1 3 266.300 3.189 20 30 CGEDHM N#CC1(c2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC001243419375 823400087 /nfs/dbraw/zinc/40/00/87/823400087.db2.gz AFBDDWSJQMYARW-UHFFFAOYSA-N -1 3 287.326 3.089 20 30 CGEDHM N#CC1(c2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC001243419375 823400090 /nfs/dbraw/zinc/40/00/90/823400090.db2.gz AFBDDWSJQMYARW-UHFFFAOYSA-N -1 3 287.326 3.089 20 30 CGEDHM COc1ccc(C#N)cc1-c1cccc(/C=N/[O-])c1 ZINC001236544074 819530706 /nfs/dbraw/zinc/53/07/06/819530706.db2.gz ZTTCHWFPMNEIRT-LICLKQGHSA-N -1 3 252.273 3.042 20 30 CGEDHM CCCCN(CCC#N)Cc1ccc(F)c([O-])c1 ZINC001236706015 819577470 /nfs/dbraw/zinc/57/74/70/819577470.db2.gz QYRULFRUTPRLRS-UHFFFAOYSA-N -1 3 250.317 3.047 20 30 CGEDHM CCCCN(CCC#N)Cc1cc([O-])cc(F)c1 ZINC001237278764 819716331 /nfs/dbraw/zinc/71/63/31/819716331.db2.gz KQSWSXSUNSDIQY-UHFFFAOYSA-N -1 3 250.317 3.047 20 30 CGEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(Cl)cc1[O-] ZINC001237950207 819891393 /nfs/dbraw/zinc/89/13/93/819891393.db2.gz QWRUHZLXSLMZJL-WLLOZRIZSA-N -1 3 294.757 3.451 20 30 CGEDHM N#CCOc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001243593102 823460012 /nfs/dbraw/zinc/46/00/12/823460012.db2.gz ARLUUHAZOXBTLQ-VCHYOVAHSA-N -1 3 270.263 3.203 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3c[nH]nc3c2)c1 ZINC001240558628 821143924 /nfs/dbraw/zinc/14/39/24/821143924.db2.gz RFFNQKRYKQUONN-REZTVBANSA-N -1 3 255.252 3.177 20 30 CGEDHM [O-]/N=C/c1cccc(-c2cnn([C@H]3CCCCO3)c2)c1 ZINC001240678703 821238265 /nfs/dbraw/zinc/23/82/65/821238265.db2.gz VTLJQJSATFQONS-GFHWABCWSA-N -1 3 271.320 3.057 20 30 CGEDHM CN(C)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001240915554 821413168 /nfs/dbraw/zinc/41/31/68/821413168.db2.gz XWCBKHRMBOPLSD-LICLKQGHSA-N -1 3 258.296 3.367 20 30 CGEDHM COCc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001240952936 821439407 /nfs/dbraw/zinc/43/94/07/821439407.db2.gz JULLKILBJAQWBU-RQZCQDPDSA-N -1 3 259.280 3.447 20 30 CGEDHM CN(C)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001240985551 821468495 /nfs/dbraw/zinc/46/84/95/821468495.db2.gz DFOISWZFSGEKKT-LICLKQGHSA-N -1 3 258.296 3.367 20 30 CGEDHM COC(=O)c1ccc(-c2ccc(C)cc2[O-])c(C#N)c1 ZINC001241038186 821514167 /nfs/dbraw/zinc/51/41/67/821514167.db2.gz NNAUEOIHQOQKTL-UHFFFAOYSA-N -1 3 267.284 3.026 20 30 CGEDHM COc1ccc(-c2c(F)ccc([O-])c2F)c(CC#N)c1 ZINC001241293357 821710673 /nfs/dbraw/zinc/71/06/73/821710673.db2.gz VCCDNDJDSIVDBM-UHFFFAOYSA-N -1 3 275.254 3.412 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccc3c(c2)OCCN3)cc1F ZINC001241459815 821858859 /nfs/dbraw/zinc/85/88/59/821858859.db2.gz ALCLDGCVPMUCIW-GIJQJNRQSA-N -1 3 272.279 3.105 20 30 CGEDHM O=C(NC1CC1)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001241598590 821980802 /nfs/dbraw/zinc/98/08/02/821980802.db2.gz UWEDRRZFRYBHDL-UHFFFAOYSA-N -1 3 280.327 3.054 20 30 CGEDHM CSc1ncc(-c2ccc(/C(C)=N/[O-])cc2)cn1 ZINC001241630986 822009426 /nfs/dbraw/zinc/00/94/26/822009426.db2.gz DKLFVCGXWVGJKW-CXUHLZMHSA-N -1 3 259.334 3.064 20 30 CGEDHM COCCOc1ccc(-c2cccc(/C=N/[O-])c2)cc1 ZINC001241749576 822121746 /nfs/dbraw/zinc/12/17/46/822121746.db2.gz RXFQTGZIPIMYMW-SFQUDFHCSA-N -1 3 271.316 3.187 20 30 CGEDHM C[C@H](O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001242552987 823029850 /nfs/dbraw/zinc/02/98/50/823029850.db2.gz ATUZYRGFCCFGGQ-VJCPFXPRSA-N -1 3 259.280 3.354 20 30 CGEDHM COC(=O)/C=C\c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242566368 823036834 /nfs/dbraw/zinc/03/68/34/823036834.db2.gz VVBQFGVFHIXYPV-WTKPLQERSA-N -1 3 279.295 3.117 20 30 CGEDHM N#CC(=C([O-])c1cc2c(s1)CCC2)c1cccc(F)n1 ZINC001344004124 936522322 /nfs/dbraw/zinc/52/23/22/936522322.db2.gz JVMFNPRXDCJPLV-SNVBAGLBSA-N -1 3 286.331 3.261 20 30 CGEDHM O=C(N([O-])CCCCc1ccccc1)C1(CF)CCC1 ZINC001472619199 937099876 /nfs/dbraw/zinc/09/98/76/937099876.db2.gz AVBRQSIUJUZRGT-UHFFFAOYSA-N -1 3 279.355 3.367 20 30 CGEDHM CCCCN([O-])C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001458025320 937449163 /nfs/dbraw/zinc/44/91/63/937449163.db2.gz SYNQDPJSKWYSFP-LBPRGKRZSA-N -1 3 265.353 3.207 20 30 CGEDHM C#C[C@H]1CCC[C@@H]1Oc1cc(O)cc([O-])c1Br ZINC001229096373 932093495 /nfs/dbraw/zinc/09/34/95/932093495.db2.gz COSQOMMPBASNMP-KWQFWETISA-N -1 3 297.148 3.041 20 30 CGEDHM C=CC(C=C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354355 932138258 /nfs/dbraw/zinc/13/82/58/932138258.db2.gz XESVCNDWYFYJDB-UHFFFAOYSA-N -1 3 264.375 3.408 20 30 CGEDHM C=CC[C@H](C=C)Oc1nc(=S)[n-]c2sccc21 ZINC001229567827 932173225 /nfs/dbraw/zinc/17/32/25/932173225.db2.gz SXDKYCCSKZTALF-QMMMGPOBSA-N -1 3 264.375 3.490 20 30 CGEDHM CCCCN([O-])C(=O)CSc1nccc2ccccc21 ZINC001306897563 932891065 /nfs/dbraw/zinc/89/10/65/932891065.db2.gz SEXIXILSKUYZBR-UHFFFAOYSA-N -1 3 290.388 3.345 20 30 CGEDHM CCCCN([O-])C(=O)c1cc2cccc(OC)c2o1 ZINC001306897432 932893204 /nfs/dbraw/zinc/89/32/04/932893204.db2.gz MMJOWFRIUXOALH-UHFFFAOYSA-N -1 3 263.293 3.073 20 30 CGEDHM Cc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCCC1 ZINC001320366761 934037294 /nfs/dbraw/zinc/03/72/94/934037294.db2.gz VXWRVKIVDMVOIU-UHFFFAOYSA-N -1 3 278.302 3.039 20 30 CGEDHM C=C[C@H](C)ONC(=O)N([O-])Cc1cccc2ccccc21 ZINC001470679628 937756275 /nfs/dbraw/zinc/75/62/75/937756275.db2.gz IUFDMKUGKMYSPF-LBPRGKRZSA-N -1 3 286.331 3.247 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001472621515 937778259 /nfs/dbraw/zinc/77/82/59/937778259.db2.gz XKUWYMLIIRKHLJ-CQSZACIVSA-N -1 3 277.364 3.097 20 30 CGEDHM CCCCN([O-])C(=O)c1ncoc1-c1ccc(F)cc1 ZINC001472620563 937778338 /nfs/dbraw/zinc/77/83/38/937778338.db2.gz HKZPTGJCSWIMDS-UHFFFAOYSA-N -1 3 278.283 3.112 20 30 CGEDHM CCCCCCN([O-])C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001472621138 937778477 /nfs/dbraw/zinc/77/84/77/937778477.db2.gz INMOGCQBQUMMHN-UHFFFAOYSA-N -1 3 294.351 3.326 20 30 CGEDHM C=CCn1c(SC[C@@H]2CCCC[C@@H]2C)n[n-]c1=O ZINC001473004780 937790370 /nfs/dbraw/zinc/79/03/70/937790370.db2.gz HEWJGSQHTOOVIU-QWRGUYRKSA-N -1 3 267.398 3.088 20 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C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC000235221299 960400077 /nfs/dbraw/zinc/40/00/77/960400077.db2.gz MECIWXIWENSUIA-SNVBAGLBSA-N -1 3 286.356 3.169 20 30 CGEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(Cl)c2[O-])C1 ZINC001583565913 962827238 /nfs/dbraw/zinc/82/72/38/962827238.db2.gz ODGMMNVGITZXJR-NXEZZACHSA-N -1 3 279.723 3.285 20 30 CGEDHM C#C[C@H](N[C@H](C)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1 ZINC001588378270 963268293 /nfs/dbraw/zinc/26/82/93/963268293.db2.gz WIFOLXYFHGIIOZ-DOMZBBRYSA-N -1 3 291.366 3.369 20 30 CGEDHM C=C[C@@H](C(=O)[O-])N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001588664924 963300753 /nfs/dbraw/zinc/30/07/53/963300753.db2.gz ZRYCCQLXQITWNW-HNNXBMFYSA-N -1 3 293.313 3.083 20 30 CGEDHM C=CC[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccncc1 ZINC001588746275 963310213 /nfs/dbraw/zinc/31/02/13/963310213.db2.gz RABSFQWDOSXRMT-LRDDRELGSA-N -1 3 297.358 3.143 20 30 CGEDHM C=CCCC[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000398152925 973074999 /nfs/dbraw/zinc/07/49/99/973074999.db2.gz FDYPLEPKARKAIW-VHSXEESVSA-N -1 3 268.382 3.237 20 30 CGEDHM CCC1CCC(NCC#Cc2ccccc2)(C(=O)[O-])CC1 ZINC001595425213 981045258 /nfs/dbraw/zinc/04/52/58/981045258.db2.gz IPSHGLALBIATRF-UHFFFAOYSA-N -1 3 285.387 3.051 20 30 CGEDHM CC(C)N(Cc1ccoc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC001591596469 992822426 /nfs/dbraw/zinc/82/24/26/992822426.db2.gz FBHRQRYKMHSTKM-UHFFFAOYSA-N -1 3 298.342 3.260 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)[nH]2)c([O-])c1 ZINC000337651367 214197787 /nfs/dbraw/zinc/19/77/87/214197787.db2.gz KFQKBGCXMNKXAO-UHFFFAOYSA-N -1 3 283.331 3.142 20 30 CGEDHM C=CC[C@H](CC)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621991066 349618570 /nfs/dbraw/zinc/61/85/70/349618570.db2.gz FESSSGCCMORKCW-NSHDSACASA-N -1 3 287.281 3.496 20 30 CGEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280279552 346417617 /nfs/dbraw/zinc/41/76/17/346417617.db2.gz FWKYNHSBPUYEJT-HNNXBMFYSA-N -1 3 282.343 3.213 20 30 CGEDHM N#CC1(NC(=O)c2cc([O-])c3ccccc3c2)CCCC1 ZINC000280778427 346418042 /nfs/dbraw/zinc/41/80/42/346418042.db2.gz DUUKKGXFTYDDLY-UHFFFAOYSA-N -1 3 280.327 3.112 20 30 CGEDHM CSc1ccc([O-])c(C(=O)NCC(C)(C)CCC#N)c1 ZINC000597660734 347586210 /nfs/dbraw/zinc/58/62/10/347586210.db2.gz MWHQPDUJBVXDKR-UHFFFAOYSA-N -1 3 292.404 3.174 20 30 CGEDHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000610366622 348379773 /nfs/dbraw/zinc/37/97/73/348379773.db2.gz MZPRAUYCBCGKCI-LBPRGKRZSA-N -1 3 280.327 3.063 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2cc3ccsc3[nH]2)n1 ZINC000613286733 348586306 /nfs/dbraw/zinc/58/63/06/348586306.db2.gz APSFAEMRODXESP-SECBINFHSA-N -1 3 287.369 3.484 20 30 CGEDHM C=CCC1(NC(=O)c2ccc([O-])c(OC)c2)CCCC1 ZINC000619110707 349205529 /nfs/dbraw/zinc/20/55/29/349205529.db2.gz IFUZBSXNICBWHK-UHFFFAOYSA-N -1 3 275.348 3.020 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c(C)c1 ZINC000620305231 349353945 /nfs/dbraw/zinc/35/39/45/349353945.db2.gz AZBJUFJRQLFEQZ-OKILXGFUSA-N -1 3 257.333 3.024 20 30 CGEDHM C=CC[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000629366274 350679740 /nfs/dbraw/zinc/67/97/40/350679740.db2.gz LMZAMLYBFCRDNK-LLVKDONJSA-N -1 3 279.767 3.436 20 30 CGEDHM C=CC[C@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000629366822 350679809 /nfs/dbraw/zinc/67/98/09/350679809.db2.gz YUHACRBKPXCGOD-NSHDSACASA-N -1 3 279.767 3.436 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1csc(C(F)(F)F)c1 ZINC000630460116 350843189 /nfs/dbraw/zinc/84/31/89/350843189.db2.gz ZROISBHGIJFMKW-VIFPVBQESA-N -1 3 293.310 3.276 20 30 CGEDHM Cc1cc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000633900274 351392970 /nfs/dbraw/zinc/39/29/70/351392970.db2.gz OQPSPPCAXFKKSK-GFCCVEGCSA-N -1 3 285.372 3.262 20 30 CGEDHM Cc1cc(OCCCC(C)(C)C#N)cc2occ([O-])c21 ZINC000634561146 351514186 /nfs/dbraw/zinc/51/41/86/351514186.db2.gz NUNXEYXGEHERIC-UHFFFAOYSA-N -1 3 273.332 3.279 20 30 CGEDHM C=CCCCCCN(C)C(=O)c1ccc(OC)cc1[O-] ZINC000156798164 188281754 /nfs/dbraw/zinc/28/17/54/188281754.db2.gz USCUDBNCWZYYTL-UHFFFAOYSA-N -1 3 277.364 3.219 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000124480244 138375969 /nfs/dbraw/zinc/37/59/69/138375969.db2.gz UGMKWBFSCSPMHU-UHFFFAOYSA-N -1 3 282.246 3.289 20 30 CGEDHM CCc1nc(C)c(C(=O)[N-]c2scc(C)c2C#N)o1 ZINC000297841946 200290789 /nfs/dbraw/zinc/29/07/89/200290789.db2.gz RIZUHLVBROZZCT-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM O=C(Nc1n[n-]c(-c2ccccc2Cl)n1)c1ccc[nH]1 ZINC000076365852 369936519 /nfs/dbraw/zinc/93/65/19/369936519.db2.gz YUFOANBSQGFYCK-UHFFFAOYSA-N -1 3 287.710 3.090 20 30 CGEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)cc2)c1[O-] ZINC000116980162 370576551 /nfs/dbraw/zinc/57/65/51/370576551.db2.gz HFCPVWCYNGAEQC-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM Cc1cccc(C(=O)N(CCC#N)CC(C)(C)C)c1[O-] ZINC000118227255 370608287 /nfs/dbraw/zinc/60/82/87/370608287.db2.gz LLJKKMXWYOADAL-UHFFFAOYSA-N -1 3 274.364 3.103 20 30 CGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ncccc3C)nc21 ZINC000429606557 372375126 /nfs/dbraw/zinc/37/51/26/372375126.db2.gz UCDISOUMOSBWQZ-GFCCVEGCSA-N -1 3 290.326 3.065 20 30 CGEDHM C[C@@H](C#N)CN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000436986887 372842589 /nfs/dbraw/zinc/84/25/89/372842589.db2.gz KREYNZWVZKLVOM-LBPRGKRZSA-N -1 3 298.386 3.035 20 30 CGEDHM C=CCn1c(SCc2ccc(C)cc2Cl)n[n-]c1=O ZINC000446065242 373318496 /nfs/dbraw/zinc/31/84/96/373318496.db2.gz ZRYJAMFMYPRGGG-UHFFFAOYSA-N -1 3 295.795 3.424 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)CSc1ccc(C#N)cc1 ZINC000179562855 373888393 /nfs/dbraw/zinc/88/83/93/373888393.db2.gz CDJSCSCFYVAQCS-UHFFFAOYSA-N -1 3 298.367 3.303 20 30 CGEDHM N#CCCN(Cc1ccco1)Cc1cc(F)ccc1[O-] ZINC000179879377 373934871 /nfs/dbraw/zinc/93/48/71/373934871.db2.gz XPHSSOCSFCGOLY-UHFFFAOYSA-N -1 3 274.295 3.040 20 30 CGEDHM C=CCCCN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182766404 374324838 /nfs/dbraw/zinc/32/48/38/374324838.db2.gz CNQMZIOXMJMDKD-UHFFFAOYSA-N -1 3 273.376 3.309 20 30 CGEDHM CCC1(CNC(=O)c2csc(=O)[n-]2)CCCC1 ZINC000329931106 374443037 /nfs/dbraw/zinc/44/30/37/374443037.db2.gz BCJRWFAQJUZOAJ-UHFFFAOYSA-N -1 3 254.355 3.124 20 30 CGEDHM C[C@@H](NC(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000329924175 374443187 /nfs/dbraw/zinc/44/31/87/374443187.db2.gz HMNZKOCIKZMUHJ-MRVPVSSYSA-N -1 3 254.355 3.122 20 30 CGEDHM Cc1ccc(C(=O)N2CCC(CCC#N)CC2)c([O-])c1C ZINC000335500251 375324232 /nfs/dbraw/zinc/32/42/32/375324232.db2.gz AXKOGWICWZMLLJ-UHFFFAOYSA-N -1 3 286.375 3.165 20 30 CGEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)c(Cl)c1 ZINC000336614631 375875656 /nfs/dbraw/zinc/87/56/56/375875656.db2.gz DCJFQSFIBFNZQP-UHFFFAOYSA-N -1 3 298.776 3.074 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)C[C@H](C)O3)n1 ZINC000565245745 377486091 /nfs/dbraw/zinc/48/60/91/377486091.db2.gz LFUPHJDIWXBTEM-GWCFXTLKSA-N -1 3 298.367 3.265 20 30 CGEDHM CC(=O)c1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1[O-] ZINC000567956683 377512180 /nfs/dbraw/zinc/51/21/80/377512180.db2.gz VWZNMJHCONHDCX-KRWDZBQOSA-N -1 3 298.342 3.007 20 30 CGEDHM C=CCCCN(C)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000573926939 377595738 /nfs/dbraw/zinc/59/57/38/377595738.db2.gz FPWMRCQEURQLPR-SNVBAGLBSA-N -1 3 251.326 3.245 20 30 CGEDHM C=C(C)[C@H](CC(=O)Nc1ccc(C)cc1[O-])OCC ZINC000270496589 378359311 /nfs/dbraw/zinc/35/93/11/378359311.db2.gz VNXJWDHWKIWMNX-AWEZNQCLSA-N -1 3 263.337 3.010 20 30 CGEDHM C=C(C)C[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000274323394 378810673 /nfs/dbraw/zinc/81/06/73/378810673.db2.gz AXUPLSBSOQENRH-LBPRGKRZSA-N -1 3 259.349 3.274 20 30 CGEDHM Cc1ccc2c(CN3CCC(F)(C#N)CC3)ccc([O-])c2n1 ZINC000352467766 379827398 /nfs/dbraw/zinc/82/73/98/379827398.db2.gz NOVCEZCXGSBKHW-UHFFFAOYSA-N -1 3 299.349 3.077 20 30 CGEDHM Cn1ccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361532820 381788303 /nfs/dbraw/zinc/78/83/03/381788303.db2.gz ZLXWMGYTMYQLAB-HNNXBMFYSA-N -1 3 275.311 3.063 20 30 CGEDHM C#CCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000192213345 533010347 /nfs/dbraw/zinc/01/03/47/533010347.db2.gz LTHFIGKWQXPECY-GFCCVEGCSA-N -1 3 257.333 3.036 20 30 CGEDHM CC#CCCCc1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000289203332 392416241 /nfs/dbraw/zinc/41/62/41/392416241.db2.gz REIAXDSLKFULTE-UHFFFAOYSA-N -1 3 286.331 3.187 20 30 CGEDHM C=CCCOCCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000342986317 393015953 /nfs/dbraw/zinc/01/59/53/393015953.db2.gz ZEWBPKQNNIVBFJ-UHFFFAOYSA-N -1 3 281.327 3.233 20 30 CGEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(C#N)cc2F)n1 ZINC000488796591 393556281 /nfs/dbraw/zinc/55/62/81/393556281.db2.gz HFPFHZIUMIUFCO-SECBINFHSA-N -1 3 289.335 3.355 20 30 CGEDHM N#Cc1c(Cl)cccc1SCc1cc(=O)c([O-])co1 ZINC000360945652 393621391 /nfs/dbraw/zinc/62/13/91/393621391.db2.gz GIIIDWFBXJDVDI-UHFFFAOYSA-N -1 3 293.731 3.163 20 30 CGEDHM N#Cc1ccc(/C=C/C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000492250268 393710116 /nfs/dbraw/zinc/71/01/16/393710116.db2.gz SABSBDXYEQLOKT-VMPITWQZSA-N -1 3 282.274 3.055 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000671745210 543184842 /nfs/dbraw/zinc/18/48/42/543184842.db2.gz BXLHWWLQAFEHQM-LLVKDONJSA-N -1 3 281.340 3.423 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2c(C)noc2C)s1 ZINC000079263412 287055393 /nfs/dbraw/zinc/05/53/93/287055393.db2.gz VZMSENOQRSKXFS-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM C=CCCCCCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660748918 419189058 /nfs/dbraw/zinc/18/90/58/419189058.db2.gz CPQHIGLZKMYXRM-UHFFFAOYSA-N -1 3 263.385 3.062 20 30 CGEDHM CCCOc1ccc(/C=N/[C@H]2CCSC2)c([O-])c1 ZINC000266337441 262915947 /nfs/dbraw/zinc/91/59/47/262915947.db2.gz LRBHVNJCFOSNIN-DGGAMASNSA-N -1 3 265.378 3.105 20 30 CGEDHM CCCOc1ccc(/C=N/Cc2cnn(CC)c2)c([O-])c1 ZINC000285683216 263094865 /nfs/dbraw/zinc/09/48/65/263094865.db2.gz ZDGJGHVXVXTVRB-GZTJUZNOSA-N -1 3 287.363 3.017 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000295481857 263178180 /nfs/dbraw/zinc/17/81/80/263178180.db2.gz DIANRYAQLHPSJB-JSGCOSHPSA-N -1 3 286.375 3.328 20 30 CGEDHM CC(C)c1ccoc1C([O-])=C(C#N)c1ccccn1 ZINC000342444437 263435188 /nfs/dbraw/zinc/43/51/88/263435188.db2.gz XYCIYKWNPZKDER-LBPRGKRZSA-N -1 3 254.289 3.288 20 30 CGEDHM CC(C)c1ccc(C(=O)NC[C@H](O)C(C)(C)C)c([O-])c1 ZINC000331229265 264151372 /nfs/dbraw/zinc/15/13/72/264151372.db2.gz GGXGMRSCBASJGN-AWEZNQCLSA-N -1 3 279.380 3.227 20 30 CGEDHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC000331231173 264153211 /nfs/dbraw/zinc/15/32/11/264153211.db2.gz HWJJTZBZVZJODD-SWLSCSKDSA-N -1 3 277.364 3.066 20 30 CGEDHM Cc1cc(C#N)ccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000182919198 267307336 /nfs/dbraw/zinc/30/73/36/267307336.db2.gz XNGZVXCLQHKKLJ-UHFFFAOYSA-N -1 3 292.338 3.165 20 30 CGEDHM C=CC[C@H](CC)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281647947 328500485 /nfs/dbraw/zinc/50/04/85/328500485.db2.gz HXMPETWATQEMJC-VIFPVBQESA-N -1 3 287.281 3.496 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1cccc(CC)c1[O-] ZINC000569418269 327174716 /nfs/dbraw/zinc/17/47/16/327174716.db2.gz LPLWCZFYRKYDFV-CYBMUJFWSA-N -1 3 259.349 3.135 20 30 CGEDHM N#CCCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419607253 329742668 /nfs/dbraw/zinc/74/26/68/329742668.db2.gz TYBZVTNNSYFWRB-UHFFFAOYSA-N -1 3 285.372 3.386 20 30 CGEDHM CCc1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c([O-])c1 ZINC000436798224 330685536 /nfs/dbraw/zinc/68/55/36/330685536.db2.gz KRMXFANQAOMAEK-HNNXBMFYSA-N -1 3 298.317 3.088 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccccc1C(C)(F)F ZINC000451087114 331015184 /nfs/dbraw/zinc/01/51/84/331015184.db2.gz OABWLECNHMDUSH-UHFFFAOYSA-N -1 3 275.320 3.116 20 30 CGEDHM CC#CCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000546636567 334042649 /nfs/dbraw/zinc/04/26/49/334042649.db2.gz OCQDAJBCRCZRED-UHFFFAOYSA-N -1 3 296.164 3.287 20 30 CGEDHM N#CCCC[C@@H](NCc1ncccc1[O-])c1ccccc1 ZINC000552313192 334315700 /nfs/dbraw/zinc/31/57/00/334315700.db2.gz UJKFFWGVAWJSME-OAHLLOKOSA-N -1 3 281.359 3.312 20 30 CGEDHM C=CCCSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000555428287 334478622 /nfs/dbraw/zinc/47/86/22/334478622.db2.gz PSOZHJONASIQKN-UHFFFAOYSA-N -1 3 261.350 3.015 20 30 CGEDHM C=CC1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000577380695 335345428 /nfs/dbraw/zinc/34/54/28/335345428.db2.gz IDEPUYAVPSOSND-UHFFFAOYSA-N -1 3 279.767 3.436 20 30 CGEDHM Cc1ocnc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000194765118 336038489 /nfs/dbraw/zinc/03/84/89/336038489.db2.gz OCMLFAZCJRDTAY-UHFFFAOYSA-N -1 3 287.344 3.047 20 30 CGEDHM CC(C)(CCC#N)CNC(=O)c1cc([O-])ccc1Cl ZINC000354971679 526996102 /nfs/dbraw/zinc/99/61/02/526996102.db2.gz DNDBZEBTEVFKBN-UHFFFAOYSA-N -1 3 280.755 3.105 20 30 CGEDHM CC[C@@H](Cc1ccccc1)/N=C\c1ccc(O)c([O-])c1O ZINC000727781087 571768675 /nfs/dbraw/zinc/76/86/75/571768675.db2.gz DGAAKURYKLEVLP-DZBQEORWSA-N -1 3 285.343 3.244 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cccc(O)c2)ccc1[O-] ZINC000728232051 571797390 /nfs/dbraw/zinc/79/73/90/571797390.db2.gz RQKFBVUAVHMILN-ALCCZGGFSA-N -1 3 254.285 3.302 20 30 CGEDHM COc1ccc(CNN=C(C)c2ccc([O-])c(F)c2)cc1 ZINC000728429420 571804949 /nfs/dbraw/zinc/80/49/49/571804949.db2.gz FLHMPGPCFMSRED-UHFFFAOYSA-N -1 3 288.322 3.054 20 30 CGEDHM CCC[C@@H](/N=C/c1ccc(O)c([O-])c1O)c1ccccn1 ZINC000729149562 571879075 /nfs/dbraw/zinc/87/90/75/571879075.db2.gz LOLCYIRRUBLEFO-SGEFVQMOSA-N -1 3 286.331 3.159 20 30 CGEDHM CCCCOCCOCC/N=C/c1cc(Cl)ccc1[O-] ZINC000743044599 572392820 /nfs/dbraw/zinc/39/28/20/572392820.db2.gz MRNIDSXRLRJXDP-SFQUDFHCSA-N -1 3 299.798 3.298 20 30 CGEDHM CCOc1ccc(C=NNc2ccc(Cl)nc2)c([O-])c1 ZINC000743450719 572398699 /nfs/dbraw/zinc/39/86/99/572398699.db2.gz YWVYKFKRZLKVAT-UHFFFAOYSA-N -1 3 291.738 3.285 20 30 CGEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc([O-])cs1 ZINC000731870319 572430614 /nfs/dbraw/zinc/43/06/14/572430614.db2.gz MIJPNOJLZODOFL-UHFFFAOYSA-N -1 3 291.347 3.421 20 30 CGEDHM COc1cccc(C[C@H](C)/N=C\c2ccccc2[O-])c1 ZINC000732926394 572493777 /nfs/dbraw/zinc/49/37/77/572493777.db2.gz OJCCCDGWGROZHI-CYUIRQCWSA-N -1 3 269.344 3.451 20 30 CGEDHM COc1cccc(C[C@H](C)/N=C/c2ccccc2[O-])c1 ZINC000732926396 572493936 /nfs/dbraw/zinc/49/39/36/572493936.db2.gz OJCCCDGWGROZHI-HTMJNSLASA-N -1 3 269.344 3.451 20 30 CGEDHM Cc1cc(C)cc(C[C@H](C)/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000741844929 572534706 /nfs/dbraw/zinc/53/47/06/572534706.db2.gz REDALTYNRJODKJ-UZPSYVQNSA-N -1 3 299.370 3.470 20 30 CGEDHM Cc1cccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1C ZINC000734366283 572650035 /nfs/dbraw/zinc/65/00/35/572650035.db2.gz LPAZFMHFZAXPHM-PCQWDSEFSA-N -1 3 298.386 3.385 20 30 CGEDHM Cc1cc(C)c(NN=C2c3ccc([O-])cc3NC2=O)c(C)c1 ZINC000743445058 572661919 /nfs/dbraw/zinc/66/19/19/572661919.db2.gz BKOXIQNNQNWOLC-UHFFFAOYSA-N -1 3 295.342 3.086 20 30 CGEDHM COc1cc(/C=C/C(=O)c2cncs2)cc(Cl)c1[O-] ZINC000735793004 572742108 /nfs/dbraw/zinc/74/21/08/572742108.db2.gz PTPXVGUPHGGPTJ-NSCUHMNNSA-N -1 3 295.747 3.407 20 30 CGEDHM C[C@H]1CC[C@@]2(CCN(Cc3cccc(C(=O)[O-])c3C#N)C2)C1 ZINC000833612082 605140873 /nfs/dbraw/zinc/14/08/73/605140873.db2.gz QGAYAZQXDRDULK-SCLBCKFNSA-N -1 3 298.386 3.269 20 30 CGEDHM C=CCNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819750264 606765811 /nfs/dbraw/zinc/76/58/11/606765811.db2.gz BRXTVYNCAUKLKJ-UHFFFAOYSA-N -1 3 293.330 3.257 20 30 CGEDHM C=CCNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819750264 606765812 /nfs/dbraw/zinc/76/58/12/606765812.db2.gz BRXTVYNCAUKLKJ-UHFFFAOYSA-N -1 3 293.330 3.257 20 30 CGEDHM C[C@H](SCCCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549938 606987153 /nfs/dbraw/zinc/98/71/53/606987153.db2.gz TVFJCQBUKQWLBE-NSHDSACASA-N -1 3 287.392 3.355 20 30 CGEDHM C[C@H](SCCCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549938 606987154 /nfs/dbraw/zinc/98/71/54/606987154.db2.gz TVFJCQBUKQWLBE-NSHDSACASA-N -1 3 287.392 3.355 20 30 CGEDHM C=CC[C@@H]1CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000890553677 617637600 /nfs/dbraw/zinc/63/76/00/617637600.db2.gz YIZSIJGIMQYUBC-LLVKDONJSA-N -1 3 273.357 3.398 20 30 CGEDHM O=C(CCc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000900095398 620761153 /nfs/dbraw/zinc/76/11/53/620761153.db2.gz BSCYZNLDOMDPAY-UHFFFAOYSA-N -1 3 273.307 3.176 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCSCC1 ZINC000255421344 618438893 /nfs/dbraw/zinc/43/88/93/618438893.db2.gz BXTNVNCJWZIAPM-ZSOIEALJSA-N -1 3 255.770 3.360 20 30 CGEDHM CCc1ncc(CN[C@@H](CC)c2cccc(C#N)c2[O-])o1 ZINC000926543139 618731997 /nfs/dbraw/zinc/73/19/97/618731997.db2.gz VTNWTVOCIDCMKM-AWEZNQCLSA-N -1 3 285.347 3.055 20 30 CGEDHM Cc1cc([O-])c(CN2CCC[C@](C)(C#N)C2)c(Cl)c1 ZINC000840938676 619227891 /nfs/dbraw/zinc/22/78/91/619227891.db2.gz FEZADDGSLQNJJW-OAHLLOKOSA-N -1 3 278.783 3.480 20 30 CGEDHM Cc1ncsc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000142897729 619823433 /nfs/dbraw/zinc/82/34/33/619823433.db2.gz KNVYHCSGGZRQFS-WAYWQWQTSA-N -1 3 259.330 3.362 20 30 CGEDHM C=C1CCC(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CC1 ZINC000897006745 620118260 /nfs/dbraw/zinc/11/82/60/620118260.db2.gz TXLVMNJWHAMXHM-UHFFFAOYSA-N -1 3 286.335 3.058 20 30 CGEDHM CC(C)(CC#N)C/N=C/c1cc(Cl)ccc1[O-] ZINC000840711346 620138690 /nfs/dbraw/zinc/13/86/90/620138690.db2.gz QEJUPGQLUYHWDM-LZYBPNLTSA-N -1 3 250.729 3.404 20 30 CGEDHM CSc1cc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)o1 ZINC000901372473 620861322 /nfs/dbraw/zinc/86/13/22/620861322.db2.gz DTKGFTXCJMVRFL-UHFFFAOYSA-N -1 3 295.335 3.481 20 30 CGEDHM O=C([C@@H]1C[C@H]1C1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901372074 620866202 /nfs/dbraw/zinc/86/62/02/620866202.db2.gz PEVPWIYSJIVZHE-LSDHHAIUSA-N -1 3 277.339 3.370 20 30 CGEDHM CCOC1CC(C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000901371567 620866691 /nfs/dbraw/zinc/86/66/91/620866691.db2.gz VWUNEWLCAUFBMU-UHFFFAOYSA-N -1 3 299.370 3.373 20 30 CGEDHM CCS[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C(C)C ZINC000901374888 620868019 /nfs/dbraw/zinc/86/80/19/620868019.db2.gz VLMMUPGQADWWBY-CYBMUJFWSA-N -1 3 285.384 3.321 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)C(C)(C)C ZINC000901376150 620868540 /nfs/dbraw/zinc/86/85/40/620868540.db2.gz QAHZRLOPYCLWGB-SNVBAGLBSA-N -1 3 253.317 3.226 20 30 CGEDHM COCCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380189 620869500 /nfs/dbraw/zinc/86/95/00/620869500.db2.gz OCUZSHIXHUEVJM-UHFFFAOYSA-N -1 3 292.162 3.138 20 30 CGEDHM C[C@@H](NCC1(C#N)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000903109565 621582268 /nfs/dbraw/zinc/58/22/68/621582268.db2.gz RLBZFQOVPYJCPC-SNVBAGLBSA-N -1 3 280.318 3.405 20 30 CGEDHM CC(C)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000904174316 621884798 /nfs/dbraw/zinc/88/47/98/621884798.db2.gz YZTFNJJTOLEXOM-UHFFFAOYSA-N -1 3 288.322 3.376 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000904208339 621886091 /nfs/dbraw/zinc/88/60/91/621886091.db2.gz VERHSARSQYKXKO-SNVBAGLBSA-N -1 3 298.364 3.093 20 30 CGEDHM O=C([C@@H]1CCCCS1)N([O-])Cc1ccccc1Cl ZINC000904191131 621886823 /nfs/dbraw/zinc/88/68/23/621886823.db2.gz UNXKAIQXHQPCNZ-LBPRGKRZSA-N -1 3 285.796 3.344 20 30 CGEDHM N#CC1(C(=O)N([O-])CCCCc2ccccc2)CC2(CC2)C1 ZINC000904196487 621888177 /nfs/dbraw/zinc/88/81/77/621888177.db2.gz WUOBCEMQLKPHGM-UHFFFAOYSA-N -1 3 298.386 3.311 20 30 CGEDHM CC(C)O[C@]1(C/N=C\c2cc(Cl)ccc2[O-])CCOC1 ZINC000905002714 622027615 /nfs/dbraw/zinc/02/76/15/622027615.db2.gz KTADGEWJHOQVQC-QTISIFFUSA-N -1 3 297.782 3.049 20 30 CGEDHM CC(=NN[C@@H](C)C(F)(F)F)c1ccc([O-])cc1Cl ZINC000905477651 622076705 /nfs/dbraw/zinc/07/67/05/622076705.db2.gz SRHDPAJGGFASLZ-ZETCQYMHSA-N -1 3 280.677 3.310 20 30 CGEDHM CC(=NNCCC(F)(F)F)c1ccc([O-])cc1Cl ZINC000905466602 622079072 /nfs/dbraw/zinc/07/90/72/622079072.db2.gz GMQRENSMNKPOTC-UHFFFAOYSA-N -1 3 280.677 3.312 20 30 CGEDHM CC(=NNC[C@H]1CCSC1)c1ccc([O-])cc1Cl ZINC000905472639 622079625 /nfs/dbraw/zinc/07/96/25/622079625.db2.gz YBBCPXGBOJCMRC-SNVBAGLBSA-N -1 3 284.812 3.112 20 30 CGEDHM Cc1noc(C)c1C/N=C/c1cc(Cl)ccc1[O-] ZINC000063427679 623323427 /nfs/dbraw/zinc/32/34/27/623323427.db2.gz IWRKKHBSDMANDK-GIDUJCDVSA-N -1 3 264.712 3.270 20 30 CGEDHM C[C@]1(C#N)CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000753585439 623435833 /nfs/dbraw/zinc/43/58/33/623435833.db2.gz AGXCNKKHOJSBHT-CQSZACIVSA-N -1 3 264.756 3.171 20 30 CGEDHM Cc1ncc(CO)c(C=Nc2ccc(Cl)c(F)c2)c1[O-] ZINC000915983251 624090532 /nfs/dbraw/zinc/09/05/32/624090532.db2.gz VGTWRQWEPHFHOC-UHFFFAOYSA-N -1 3 294.713 3.131 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCCCO1 ZINC000920386993 624489320 /nfs/dbraw/zinc/48/93/20/624489320.db2.gz JDJIDAMXKQQQAU-IYVNWDGISA-N -1 3 253.729 3.034 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=CC[C@@H](C)CC3)nc1-2 ZINC000835183181 634385892 /nfs/dbraw/zinc/38/58/92/634385892.db2.gz FKXBVDHSCWQMMA-MFKMUULPSA-N -1 3 294.358 3.189 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)C2CCCC2)c1[O-] ZINC000753639049 626460684 /nfs/dbraw/zinc/46/06/84/626460684.db2.gz RUWNWGWSLHAOBK-NVMNQCDNSA-N -1 3 290.407 3.223 20 30 CGEDHM CCCC[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC ZINC000761016266 627008762 /nfs/dbraw/zinc/00/87/62/627008762.db2.gz XQETZTRTNVPOST-DZZSIBQASA-N -1 3 283.755 3.196 20 30 CGEDHM Cc1ccc(Cl)c(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000761785511 627060392 /nfs/dbraw/zinc/06/03/92/627060392.db2.gz JFEFORMDMATUCC-UHFFFAOYSA-N -1 3 290.750 3.300 20 30 CGEDHM COc1ccsc1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000764431604 627207164 /nfs/dbraw/zinc/20/71/64/627207164.db2.gz DKARUMVQOCFALG-AATRIKPKSA-N -1 3 290.340 3.367 20 30 CGEDHM CC(=NNCc1cccc(C)c1)c1ccc([O-])c(F)c1 ZINC000764716232 627220025 /nfs/dbraw/zinc/22/00/25/627220025.db2.gz VXRLQLJZJQWTSZ-UHFFFAOYSA-N -1 3 272.323 3.354 20 30 CGEDHM C[C@@H]1CC(=NOCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000764844944 627229259 /nfs/dbraw/zinc/22/92/59/627229259.db2.gz NZSSGVGBAZZUNE-ZCFIWIBFSA-N -1 3 277.217 3.322 20 30 CGEDHM CCOc1cc(C=NOCC(F)(F)F)cc(Cl)c1[O-] ZINC000764846560 627229407 /nfs/dbraw/zinc/22/94/07/627229407.db2.gz KLWCQSDBTMXXAY-UHFFFAOYSA-N -1 3 297.660 3.357 20 30 CGEDHM C=CCCC[C@H](C)OC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000765504258 627254892 /nfs/dbraw/zinc/25/48/92/627254892.db2.gz YYJDQZRKHRFEHN-NSHDSACASA-N -1 3 294.347 3.311 20 30 CGEDHM CC(C)(C#N)CCCCOC(=O)c1ccc([O-])cc1 ZINC000768378666 627477684 /nfs/dbraw/zinc/47/76/84/627477684.db2.gz TVMSSTJLUPWVCQ-UHFFFAOYSA-N -1 3 261.321 3.269 20 30 CGEDHM CC(=NN=c1cc[n-]n1C)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000774414324 627986119 /nfs/dbraw/zinc/98/61/19/627986119.db2.gz YQHJTINXDGILEM-STQMWFEESA-N -1 3 288.782 3.087 20 30 CGEDHM C#C[C@@H](C)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775183605 628070550 /nfs/dbraw/zinc/07/05/50/628070550.db2.gz PUWKJZCFRMRBJN-MRVPVSSYSA-N -1 3 258.148 3.153 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cccc(Cl)c2)c1 ZINC000776278652 628188385 /nfs/dbraw/zinc/18/83/85/628188385.db2.gz CSJXXTJOYYISDW-UHFFFAOYSA-N -1 3 287.702 3.274 20 30 CGEDHM CC(=NNc1ccc2n[nH]cc2c1)c1ccc([O-])c(F)c1 ZINC000779821210 628435896 /nfs/dbraw/zinc/43/58/96/628435896.db2.gz VUAKKYOKWFAKLP-UHFFFAOYSA-N -1 3 284.294 3.244 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCC=CO1 ZINC000780150514 628457985 /nfs/dbraw/zinc/45/79/85/628457985.db2.gz VTRPDKNIBYZGGW-AAWHYMEISA-N -1 3 251.713 3.157 20 30 CGEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(C3CC3)cc2)c1[O-] ZINC000790100631 629184061 /nfs/dbraw/zinc/18/40/61/629184061.db2.gz XHDXXOGJOVDSNV-GRSHGNNSSA-N -1 3 296.370 3.084 20 30 CGEDHM C=CCCCCCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000806003843 629399454 /nfs/dbraw/zinc/39/94/54/629399454.db2.gz GRIUMADLZDPUQC-UHFFFAOYSA-N -1 3 294.370 3.467 20 30 CGEDHM C[C@H]1C[C@@H]1CN=Nc1nc2ccccc2[n-]c1=S ZINC000863128217 629481372 /nfs/dbraw/zinc/48/13/72/629481372.db2.gz IBLNMQHHRMGVBZ-DTWKUNHWSA-N -1 3 258.350 3.346 20 30 CGEDHM COc1cc(F)cc(NN=Cc2c(F)ccc([O-])c2F)c1 ZINC000794520202 629548789 /nfs/dbraw/zinc/54/87/89/629548789.db2.gz LJBYBNCHXLWUKV-UHFFFAOYSA-N -1 3 296.248 3.264 20 30 CGEDHM C=C(C)CN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794570413 629557385 /nfs/dbraw/zinc/55/73/85/629557385.db2.gz RLNSIVCIASXAAT-UHFFFAOYSA-N -1 3 293.750 3.160 20 30 CGEDHM CCOc1cc(C=NOCCSC)cc(Cl)c1[O-] ZINC000794574752 629558210 /nfs/dbraw/zinc/55/82/10/629558210.db2.gz ODPXHXCZAYZISN-UHFFFAOYSA-N -1 3 289.784 3.158 20 30 CGEDHM C[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@H](C)O1 ZINC000864347665 629816013 /nfs/dbraw/zinc/81/60/13/629816013.db2.gz VTCFNNOBRZELBL-AABTUHMMSA-N -1 3 253.729 3.030 20 30 CGEDHM CC[C@@H]1C[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000797784756 629981608 /nfs/dbraw/zinc/98/16/08/629981608.db2.gz HMSXXZHWJWXTQM-SRNFDWDKSA-N -1 3 268.154 3.372 20 30 CGEDHM C=C(C)[C@@H]1OCC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000797785167 629982329 /nfs/dbraw/zinc/98/23/29/629982329.db2.gz VPKOVCCETNGILL-XHZKOPDZSA-N -1 3 279.767 3.446 20 30 CGEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000806552551 630565493 /nfs/dbraw/zinc/56/54/93/630565493.db2.gz WDHYFBWZFWATDR-OXVNWCFQSA-N -1 3 251.635 3.415 20 30 CGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cccc(C#N)c1 ZINC000811188361 631041604 /nfs/dbraw/zinc/04/16/04/631041604.db2.gz GYVPCDVRQMEURY-NSHDSACASA-N -1 3 292.294 3.054 20 30 CGEDHM C=CCCC[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188260 631042206 /nfs/dbraw/zinc/04/22/06/631042206.db2.gz XTIJUWABRMWELT-LLVKDONJSA-N -1 3 259.305 3.165 20 30 CGEDHM C#C[C@H]([N-]C(=O)C(C)(Cl)Cl)c1ccc(Cl)cc1 ZINC000811947473 631134859 /nfs/dbraw/zinc/13/48/59/631134859.db2.gz GCELXOHOKYTERM-JTQLQIEISA-N -1 3 290.577 3.324 20 30 CGEDHM CC(C)(C)c1ccc([C@H](C#N)[N-]C(=O)C(C)(F)F)cc1 ZINC000815537889 631793077 /nfs/dbraw/zinc/79/30/77/631793077.db2.gz OAELGFAOYJXURE-LBPRGKRZSA-N -1 3 280.318 3.320 20 30 CGEDHM N#CCN(Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816496323 631993527 /nfs/dbraw/zinc/99/35/27/631993527.db2.gz FQQGLKLWARSAGS-UHFFFAOYSA-N -1 3 252.317 3.033 20 30 CGEDHM C=CCN(CCC#N)Cc1ccc2ccccc2c1[O-] ZINC000816617112 632024869 /nfs/dbraw/zinc/02/48/69/632024869.db2.gz PARXGBXNXCIZGP-UHFFFAOYSA-N -1 3 266.344 3.447 20 30 CGEDHM C=CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823937314 633170973 /nfs/dbraw/zinc/17/09/73/633170973.db2.gz RIRRCUJSFLVOHQ-UHFFFAOYSA-N -1 3 286.282 3.164 20 30 CGEDHM C=CCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823937314 633170982 /nfs/dbraw/zinc/17/09/82/633170982.db2.gz RIRRCUJSFLVOHQ-UHFFFAOYSA-N -1 3 286.282 3.164 20 30 CGEDHM CC1(C)CCCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000824801749 633293399 /nfs/dbraw/zinc/29/33/99/633293399.db2.gz IAHATKFWPJVWPD-ZRDIBKRKSA-N -1 3 282.347 3.029 20 30 CGEDHM CC1(C)CCCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000824801749 633293404 /nfs/dbraw/zinc/29/34/04/633293404.db2.gz IAHATKFWPJVWPD-ZRDIBKRKSA-N -1 3 282.347 3.029 20 30 CGEDHM N#Cc1ccc(CO[N-]C(=O)CCC2CCCCC2)o1 ZINC000871729943 633844898 /nfs/dbraw/zinc/84/48/98/633844898.db2.gz JSPVKNMVFRYMBO-UHFFFAOYSA-N -1 3 276.336 3.060 20 30 CGEDHM CC1(C)C[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000124153446 634171050 /nfs/dbraw/zinc/17/10/50/634171050.db2.gz DHOWXCDDEZYOMD-RGZVIEDOSA-N -1 3 267.756 3.422 20 30 CGEDHM CC(NN=c1c(F)c(F)[n-]c(F)c1F)=C1CC1(F)F ZINC000841608379 635195966 /nfs/dbraw/zinc/19/59/66/635195966.db2.gz DEKFVMXAFJKCMW-SCSAIBSYSA-N -1 3 283.175 3.081 20 30 CGEDHM C[C@H](O[N-]C(=O)CC(C)(C)C)c1cccc(C#N)c1 ZINC000842062033 635271687 /nfs/dbraw/zinc/27/16/87/635271687.db2.gz WDAIDFFWPQYFRE-NSHDSACASA-N -1 3 260.337 3.103 20 30 CGEDHM C=C(C)CON=Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000844614977 635942034 /nfs/dbraw/zinc/94/20/34/635942034.db2.gz MJZIUKZAQARKQT-UHFFFAOYSA-N -1 3 269.728 3.371 20 30 CGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(F)F ZINC000845844579 636106380 /nfs/dbraw/zinc/10/63/80/636106380.db2.gz HQJATINSXPQJAY-GFCCVEGCSA-N -1 3 291.297 3.041 20 30 CGEDHM N#CC1(CNCc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC000846011420 636129230 /nfs/dbraw/zinc/12/92/30/636129230.db2.gz UCGNJDXZJWZINH-UHFFFAOYSA-N -1 3 282.746 3.358 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000846548793 636199230 /nfs/dbraw/zinc/19/92/30/636199230.db2.gz VKXQWSZMFVOTEH-LBPRGKRZSA-N -1 3 272.348 3.031 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cc(Cl)ccc1Cl ZINC000846550305 636200336 /nfs/dbraw/zinc/20/03/36/636200336.db2.gz MGUMPRTZMCRJFH-MRVPVSSYSA-N -1 3 274.147 3.158 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(OCC=C(C)C)c1 ZINC000846553443 636200733 /nfs/dbraw/zinc/20/07/33/636200733.db2.gz AWVYFCMKCGNJBH-AWEZNQCLSA-N -1 3 289.375 3.196 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000846551807 636200783 /nfs/dbraw/zinc/20/07/83/636200783.db2.gz XUBKSMHFEWAQLT-JSGCOSHPSA-N -1 3 289.375 3.128 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCSc1ccc(OC)cc1 ZINC000846555167 636202172 /nfs/dbraw/zinc/20/21/72/636202172.db2.gz OWEYFRWPVZNNAZ-GFCCVEGCSA-N -1 3 295.404 3.190 20 30 CGEDHM Cc1cncc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000130529070 636470013 /nfs/dbraw/zinc/47/00/13/636470013.db2.gz NUDOCDFFNFHOBL-RQZCQDPDSA-N -1 3 260.724 3.368 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000849170506 636762229 /nfs/dbraw/zinc/76/22/29/636762229.db2.gz MODOZMITVZZOBW-PQBAJORESA-N -1 3 288.391 3.142 20 30 CGEDHM CSCCON=Cc1cc(Cl)c(C)cc1[O-] ZINC000853341319 637816852 /nfs/dbraw/zinc/81/68/52/637816852.db2.gz LKWCNYVVRAUMHM-UHFFFAOYSA-N -1 3 259.758 3.068 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1c(Cl)cccc1Cl ZINC000856027948 638285971 /nfs/dbraw/zinc/28/59/71/638285971.db2.gz HIUPKROIDJBZKO-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM C=CCc1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1[O-] ZINC001250712228 805760616 /nfs/dbraw/zinc/76/06/16/805760616.db2.gz AUGXXHNVMBMLNS-UHFFFAOYSA-N -1 3 294.310 3.393 20 30 CGEDHM CC(C)SCC(=O)N([O-])CCCCc1ccccc1 ZINC001161807022 806459150 /nfs/dbraw/zinc/45/91/50/806459150.db2.gz AIIHSMBMEULZAU-UHFFFAOYSA-N -1 3 281.421 3.369 20 30 CGEDHM CCCCCCN([O-])C(=O)C1(Nc2ccccc2)CC1 ZINC001161826981 806465698 /nfs/dbraw/zinc/46/56/98/806465698.db2.gz RKUQIBFEQAFRPA-UHFFFAOYSA-N -1 3 276.380 3.429 20 30 CGEDHM CC(C)c1[nH]ccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001119555353 802679557 /nfs/dbraw/zinc/67/95/57/802679557.db2.gz JACRAXJHHSYWGU-UHFFFAOYSA-N -1 3 276.311 3.309 20 30 CGEDHM Cc1scc(C([O-])=C(C#N)c2ncc(Cl)n2C)c1C ZINC001123234265 802920277 /nfs/dbraw/zinc/92/02/77/802920277.db2.gz STGTYEFVILUYOP-VIFPVBQESA-N -1 3 293.779 3.242 20 30 CGEDHM CCOc1ncc(-c2ccc(/C(C)=N/[O-])cc2)cc1F ZINC001243775344 802994993 /nfs/dbraw/zinc/99/49/93/802994993.db2.gz IEZDWTUZMFCFNY-VCHYOVAHSA-N -1 3 274.295 3.485 20 30 CGEDHM COC(=O)c1cc(C#N)ccc1-c1cc(C)c(F)c([O-])c1 ZINC001244517680 803413640 /nfs/dbraw/zinc/41/36/40/803413640.db2.gz MMZBMSKXDIFTQS-UHFFFAOYSA-N -1 3 285.274 3.165 20 30 CGEDHM COC(=O)c1cc(OC)cc(-c2ccc(/C(C)=N/[O-])cc2)c1 ZINC001245361587 803713255 /nfs/dbraw/zinc/71/32/55/803713255.db2.gz SCJYYPPRRYTARS-WOJGMQOQSA-N -1 3 299.326 3.347 20 30 CGEDHM [O-]/N=C/c1ccc(-c2c[nH]c3ncc(F)cc23)cc1F ZINC001245433118 803736816 /nfs/dbraw/zinc/73/68/16/803736816.db2.gz JPVUABMPAUIZEC-PTXOJBNSSA-N -1 3 273.242 3.316 20 30 CGEDHM CN(Cc1cccc(C#N)c1)Cc1cc(F)c([O-])c(F)c1 ZINC001140991869 804563603 /nfs/dbraw/zinc/56/36/03/804563603.db2.gz CRTXATKYESMCAR-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM CCCCCCCCNC(=S)Nc1ncccc1[O-] ZINC001247127555 804667010 /nfs/dbraw/zinc/66/70/10/804667010.db2.gz GIMGLBSBPQWFMP-UHFFFAOYSA-N -1 3 281.425 3.434 20 30 CGEDHM C=C1CC=C(F)C=C1NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148669785 805204631 /nfs/dbraw/zinc/20/46/31/805204631.db2.gz COCGJLYLYUWPHG-UHFFFAOYSA-N -1 3 287.290 3.022 20 30 CGEDHM CCOc1cc(Nc2cc(C#N)ccc2[O-])ccc1OC ZINC001212543251 815059474 /nfs/dbraw/zinc/05/94/74/815059474.db2.gz DFBWSQOIOCVEQA-UHFFFAOYSA-N -1 3 284.315 3.415 20 30 CGEDHM N#CCc1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268134 809332580 /nfs/dbraw/zinc/33/25/80/809332580.db2.gz LDNGORJHQCQFGE-UHFFFAOYSA-N -1 3 260.243 3.480 20 30 CGEDHM COc1cc(F)c(Nc2cc(C#N)ccc2[O-])c(F)c1 ZINC001175722481 809520440 /nfs/dbraw/zinc/52/04/40/809520440.db2.gz UUZDNSXDZMAKCN-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM Cc1noc([N-]c2cnn(C3CCCCC3)c2)c1C#N ZINC001175879588 809564254 /nfs/dbraw/zinc/56/42/54/809564254.db2.gz RQXLJCCVNIQQMS-UHFFFAOYSA-N -1 3 271.324 3.300 20 30 CGEDHM C#CCCCCCCCCC(=O)Nc1cncc([O-])c1 ZINC001182185624 810097698 /nfs/dbraw/zinc/09/76/98/810097698.db2.gz KHWAKETUSZBSKM-UHFFFAOYSA-N -1 3 274.364 3.480 20 30 CGEDHM Cc1cccc(CC(=O)Nc2ccc([O-])c(C#N)c2)c1C ZINC001183256970 810143133 /nfs/dbraw/zinc/14/31/33/810143133.db2.gz CHSMNHHUNGFTOP-UHFFFAOYSA-N -1 3 280.327 3.062 20 30 CGEDHM Cc1ccc(C(=O)N([O-])CCCCc2ccccc2)o1 ZINC001184293274 810188933 /nfs/dbraw/zinc/18/89/33/810188933.db2.gz MJZXIBITFYZIMN-UHFFFAOYSA-N -1 3 273.332 3.442 20 30 CGEDHM CC(=O)/C=C(/C)NC(=O)c1c(C)ccc(C(C)C)c1[O-] ZINC001188181429 810465095 /nfs/dbraw/zinc/46/50/95/810465095.db2.gz KEXXRAIHONOTSF-FLIBITNWSA-N -1 3 275.348 3.047 20 30 CGEDHM Cc1ccc(Cl)cc1NC(=O)[N-]c1oncc1C#N ZINC001188701601 810504677 /nfs/dbraw/zinc/50/46/77/810504677.db2.gz BYKZOAKAFVSGDU-UHFFFAOYSA-N -1 3 276.683 3.152 20 30 CGEDHM C=CCn1c(SCCC[C@@H](C)CCC)n[n-]c1=O ZINC001188969777 810528059 /nfs/dbraw/zinc/52/80/59/810528059.db2.gz FCRQWVPSEARTTM-NSHDSACASA-N -1 3 269.414 3.478 20 30 CGEDHM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C#N)C2)c([O-])c1 ZINC001192322595 810787842 /nfs/dbraw/zinc/78/78/42/810787842.db2.gz FVTODLAIYNKQKQ-LBPRGKRZSA-N -1 3 286.375 3.065 20 30 CGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001192914209 810828555 /nfs/dbraw/zinc/82/85/55/810828555.db2.gz ORFZRLWYNOLVQB-UHFFFAOYSA-N -1 3 293.841 3.425 20 30 CGEDHM C#Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222755 811798896 /nfs/dbraw/zinc/79/88/96/811798896.db2.gz QMMKGKUMJLMTFS-UHFFFAOYSA-N -1 3 254.245 3.025 20 30 CGEDHM C#Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201233199 811803289 /nfs/dbraw/zinc/80/32/89/811803289.db2.gz YUKJHGXUXLUCDL-UHFFFAOYSA-N -1 3 272.235 3.164 20 30 CGEDHM N#Cc1oc2ccccc2c1Nc1cncc([O-])c1 ZINC001201633842 811925939 /nfs/dbraw/zinc/92/59/39/811925939.db2.gz YSCAZLRWNHAGTK-UHFFFAOYSA-N -1 3 251.245 3.149 20 30 CGEDHM N#CCc1ccc(-c2ccc([O-])cc2F)cc1C#N ZINC001206057623 813184060 /nfs/dbraw/zinc/18/40/60/813184060.db2.gz GWFIEBFAPDHLAK-UHFFFAOYSA-N -1 3 252.248 3.136 20 30 CGEDHM COc1ccc(Nc2ccc(F)c([O-])c2)cc1C#N ZINC001211217230 814853365 /nfs/dbraw/zinc/85/33/65/814853365.db2.gz IECRZOZMGXBPQQ-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM COC(=O)c1ccc([O-])cc1Nc1cccc(C#N)c1C ZINC001216178148 815723339 /nfs/dbraw/zinc/72/33/39/815723339.db2.gz RERRPLIPQKSVKN-UHFFFAOYSA-N -1 3 282.299 3.103 20 30 CGEDHM CCCOc1ccc(Nc2cc(C#N)ccc2[O-])cn1 ZINC001216587260 815866984 /nfs/dbraw/zinc/86/69/84/815866984.db2.gz YMBYDXYIXSERNP-UHFFFAOYSA-N -1 3 269.304 3.191 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cncc(OCC3CC3)c2)c1 ZINC001216599648 815872454 /nfs/dbraw/zinc/87/24/54/815872454.db2.gz TWSNTFDGACWZDB-UHFFFAOYSA-N -1 3 281.315 3.191 20 30 CGEDHM N#Cc1cccc(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217136810 815910494 /nfs/dbraw/zinc/91/04/94/815910494.db2.gz IIGXTXWKGRJHJW-UHFFFAOYSA-N -1 3 287.282 3.152 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCc3c2cccc3C)[n-]1 ZINC001225467494 817060980 /nfs/dbraw/zinc/06/09/80/817060980.db2.gz RNZWCDPKUUETTJ-MRXNPFEDSA-N -1 3 280.327 3.342 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCc3c2cccc3C)[n-]1 ZINC001225467493 817061616 /nfs/dbraw/zinc/06/16/16/817061616.db2.gz RNZWCDPKUUETTJ-INIZCTEOSA-N -1 3 280.327 3.342 20 30 CGEDHM C=C[C@@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1 ZINC001225468968 817062223 /nfs/dbraw/zinc/06/22/23/817062223.db2.gz WOBRVHLSXWEVAV-OAHLLOKOSA-N -1 3 266.300 3.273 20 30 CGEDHM C#C[C@H](Oc1[n-]c(=S)ncc1CC)c1ccccc1 ZINC001227060537 817547231 /nfs/dbraw/zinc/54/72/31/817547231.db2.gz CHNTYPVBLJQRMY-ZDUSSCGKSA-N -1 3 270.357 3.081 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC001227349187 817629894 /nfs/dbraw/zinc/62/98/94/817629894.db2.gz FZMRSLYKWLOHIX-MRXNPFEDSA-N -1 3 294.354 3.312 20 30 CGEDHM C#C[C@@H]1CCC[C@@H]1Oc1c([O-])cc(Br)cc1F ZINC001227588947 817677911 /nfs/dbraw/zinc/67/79/11/817677911.db2.gz WMADEIYTSGGLIS-PELKAZGASA-N -1 3 299.139 3.475 20 30 CGEDHM CCC#C[C@@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227587740 817678046 /nfs/dbraw/zinc/67/80/46/817678046.db2.gz MHUAQPCHOOXQOH-MRVPVSSYSA-N -1 3 287.128 3.475 20 30 CGEDHM N#CC=C([O-])c1ccccc1OC[C@@H]1Cc2ccccc2O1 ZINC001233522765 818632389 /nfs/dbraw/zinc/63/23/89/818632389.db2.gz ODMQWWXKMOELMO-AWEZNQCLSA-N -1 3 293.322 3.165 20 30 CGEDHM C=C1O[C@@H](CC)C(=O)C1Oc1cc(Cl)c([O-])cc1C ZINC001233591532 818652096 /nfs/dbraw/zinc/65/20/96/818652096.db2.gz GXIQAWNKJORBFK-NSHDSACASA-N -1 3 282.723 3.342 20 30 CGEDHM C[C@H](COc1cc([O-])cc(C#N)c1)OCc1ccccc1 ZINC001234143624 818790955 /nfs/dbraw/zinc/79/09/55/818790955.db2.gz FOSDGCHLCNVQBF-CYBMUJFWSA-N -1 3 283.327 3.248 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234450587 818859306 /nfs/dbraw/zinc/85/93/06/818859306.db2.gz AXLXPRKYOCQZDH-QMMMGPOBSA-N -1 3 266.366 3.134 20 30 CGEDHM CCCN(CCC#N)Cc1c([O-])cc(OC)cc1Cl ZINC001236798622 819600613 /nfs/dbraw/zinc/60/06/13/819600613.db2.gz GTLUOVANCSODLA-UHFFFAOYSA-N -1 3 282.771 3.180 20 30 CGEDHM N#C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237622020 819789314 /nfs/dbraw/zinc/78/93/14/819789314.db2.gz LVJMMOKXZQMJNY-JTQLQIEISA-N -1 3 282.746 3.310 20 30 CGEDHM [O-]c1c(Cl)cc(F)cc1CN1CCC(S)CC1 ZINC001237799148 819844486 /nfs/dbraw/zinc/84/44/86/819844486.db2.gz OGUHTDMWJTVOMC-UHFFFAOYSA-N -1 3 275.776 3.079 20 30 CGEDHM CN(C)C(=O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001239925769 820703390 /nfs/dbraw/zinc/70/33/90/820703390.db2.gz NFGKLNOQIPLVJA-VCHYOVAHSA-N -1 3 286.306 3.003 20 30 CGEDHM CC(C)NC(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001240083444 820816403 /nfs/dbraw/zinc/81/64/03/820816403.db2.gz AHPUAYHAFYXZEC-UHFFFAOYSA-N -1 3 282.343 3.300 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccc3c(c2)OCC3)cc1F ZINC001241224232 821648746 /nfs/dbraw/zinc/64/87/46/821648746.db2.gz JYURQBRWRYTVET-RQZCQDPDSA-N -1 3 257.264 3.236 20 30 CGEDHM COc1ncc(C)cc1-c1cc(/C=N/[O-])ccc1F ZINC001241366037 821767109 /nfs/dbraw/zinc/76/71/09/821767109.db2.gz MDIUTDAURIGOSL-CAOOACKPSA-N -1 3 260.268 3.013 20 30 CGEDHM Cn1ncc2cc(-c3ccccc3C=N[O-])ccc21 ZINC001241440172 821835189 /nfs/dbraw/zinc/83/51/89/821835189.db2.gz MCPMPBVSIBJUKG-UHFFFAOYSA-N -1 3 251.289 3.048 20 30 CGEDHM COC(=O)c1cc(-c2ccc([O-])c(C#N)c2)c(C)cc1C ZINC001242563397 823033285 /nfs/dbraw/zinc/03/32/85/823033285.db2.gz GCTNHGIYCODLIU-UHFFFAOYSA-N -1 3 281.311 3.334 20 30 CGEDHM COC(=O)[C@@H](C)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565793 823036147 /nfs/dbraw/zinc/03/61/47/823036147.db2.gz SKKQTVCIRVIZTD-NSHDSACASA-N -1 3 281.311 3.207 20 30 CGEDHM N#CC(=C([O-])c1cnn(C2CCCCC2)c1)c1ccccn1 ZINC001346028071 936834873 /nfs/dbraw/zinc/83/48/73/936834873.db2.gz VEJIYLCRDNSBJT-HNNXBMFYSA-N -1 3 294.358 3.273 20 30 CGEDHM C=CCOc1cccnc1C(=O)N([O-])CCCCCC ZINC001458009154 937448701 /nfs/dbraw/zinc/44/87/01/937448701.db2.gz CWJQQVRLXGOUFH-UHFFFAOYSA-N -1 3 278.352 3.058 20 30 CGEDHM N#Cc1ncc(Nc2cccc(Cl)c2[O-])cc1F ZINC001203055895 931960492 /nfs/dbraw/zinc/96/04/92/931960492.db2.gz DWNXLGYUEFMTPA-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1CCCc2ccc(OC)cc21 ZINC001161833034 931986833 /nfs/dbraw/zinc/98/68/33/931986833.db2.gz XZEXXKGXNYZDIL-AWEZNQCLSA-N -1 3 277.364 3.133 20 30 CGEDHM C#C[C@H](CC(C)C)Oc1cc(O)cc([O-])c1Br ZINC001229096355 932093387 /nfs/dbraw/zinc/09/33/87/932093387.db2.gz CBWAHFBQJWMWHZ-SNVBAGLBSA-N -1 3 299.164 3.287 20 30 CGEDHM C#C[C@@H](CC)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229353822 932138383 /nfs/dbraw/zinc/13/83/83/932138383.db2.gz RODUMFMBIJUAQY-QMMMGPOBSA-N -1 3 264.375 3.079 20 30 CGEDHM C=C(C)C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=C)C ZINC001229950500 932507264 /nfs/dbraw/zinc/50/72/64/932507264.db2.gz LQUJTNRPAVYIIE-CQSZACIVSA-N -1 3 270.336 3.156 20 30 CGEDHM C=C(C)C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=C)C ZINC001229950500 932507272 /nfs/dbraw/zinc/50/72/72/932507272.db2.gz LQUJTNRPAVYIIE-CQSZACIVSA-N -1 3 270.336 3.156 20 30 CGEDHM Cc1cnc(F)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC001306894363 932891614 /nfs/dbraw/zinc/89/16/14/932891614.db2.gz KKJALKLLTRFJTO-UHFFFAOYSA-N -1 3 294.713 3.214 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)CCOc1ccccc1 ZINC001306897347 932892398 /nfs/dbraw/zinc/89/23/98/932892398.db2.gz JDOOBAUZWFJXSD-ZDUSSCGKSA-N -1 3 265.353 3.110 20 30 CGEDHM CCCCCCN([O-])C(=O)c1oc(CCC)nc1C ZINC001306896997 932893095 /nfs/dbraw/zinc/89/30/95/932893095.db2.gz VDNRNQPEAHODQO-UHFFFAOYSA-N -1 3 268.357 3.347 20 30 CGEDHM CCCCN([O-])C(=O)Cc1c(C)[nH]c2ccccc21 ZINC001306897184 932893254 /nfs/dbraw/zinc/89/32/54/932893254.db2.gz CGSSMDWHFKTPNR-UHFFFAOYSA-N -1 3 260.337 3.037 20 30 CGEDHM O=C(CCc1ccoc1)N([O-])CCCCc1ccccc1 ZINC001472619501 937778315 /nfs/dbraw/zinc/77/83/15/937778315.db2.gz OGBUONAVOMWMTG-UHFFFAOYSA-N -1 3 287.359 3.453 20 30 CGEDHM CCCCCCN(O)C(=O)c1cc(C)ccc1[O-] ZINC001472619900 937778519 /nfs/dbraw/zinc/77/85/19/937778519.db2.gz YFEPCZSNYANKIE-UHFFFAOYSA-N -1 3 251.326 3.112 20 30 CGEDHM Cc1ncccc1CC(=O)N([O-])Cc1ccccc1Cl ZINC001472620097 937778582 /nfs/dbraw/zinc/77/85/82/937778582.db2.gz OLJYKPYQYHMFJR-UHFFFAOYSA-N -1 3 290.750 3.004 20 30 CGEDHM CCCCCCC[C@@H](C)CN=c1ncnc2[nH][n-]cc1-2 ZINC001472665124 937779802 /nfs/dbraw/zinc/77/98/02/937779802.db2.gz HPKVXNMEBVSTEC-GFCCVEGCSA-N -1 3 275.400 3.135 20 30 CGEDHM CC1(CC(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC001334072831 936083676 /nfs/dbraw/zinc/08/36/76/936083676.db2.gz TZCFIUOMJQMHFG-UHFFFAOYSA-N -1 3 253.729 3.248 20 30 CGEDHM C=C(C)CCC(=O)Nc1cc(Br)ccc1[O-] ZINC001337201688 936242380 /nfs/dbraw/zinc/24/23/80/936242380.db2.gz WOHCNVHQCRXXSN-UHFFFAOYSA-N -1 3 284.153 3.450 20 30 CGEDHM Cc1nsc([N-]C(=O)c2c(F)cc(C)cc2F)c1C#N ZINC001518996986 938017532 /nfs/dbraw/zinc/01/75/32/938017532.db2.gz QWKCFRIPEMGBCC-UHFFFAOYSA-N -1 3 293.298 3.162 20 30 CGEDHM CCc1nc(C(=O)N([O-])CCCCc2ccccc2)co1 ZINC001559034141 938219069 /nfs/dbraw/zinc/21/90/69/938219069.db2.gz NUSHFSCWOKLNCA-UHFFFAOYSA-N -1 3 288.347 3.091 20 30 CGEDHM O=C(Cc1ccc(O)cc1)N([O-])CCCCc1ccccc1 ZINC001559033911 938219072 /nfs/dbraw/zinc/21/90/72/938219072.db2.gz FELFHQVMNZIASX-UHFFFAOYSA-N -1 3 299.370 3.175 20 30 CGEDHM C=CC[C@H]1CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001560206468 938247105 /nfs/dbraw/zinc/24/71/05/938247105.db2.gz YXRSVBHYTQTAFG-ZDUSSCGKSA-N -1 3 279.767 3.399 20 30 CGEDHM N#CC(C(=O)CCCCC(=O)[O-])c1nccc2ccccc21 ZINC001594601035 956130537 /nfs/dbraw/zinc/13/05/37/956130537.db2.gz IZEZRURPWYCYPO-AWEZNQCLSA-N -1 3 296.326 3.056 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)n[n-]2)o1 ZINC000839049412 958826673 /nfs/dbraw/zinc/82/66/73/958826673.db2.gz RIDCLPMUDHSWSO-NEPJUHHUSA-N -1 3 299.330 3.217 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)[n-]n2)o1 ZINC000839049412 958826694 /nfs/dbraw/zinc/82/66/94/958826694.db2.gz RIDCLPMUDHSWSO-NEPJUHHUSA-N -1 3 299.330 3.217 20 30 CGEDHM C=CCCCCNc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588596396 963293728 /nfs/dbraw/zinc/29/37/28/963293728.db2.gz PPDUUCYISPGEJE-UHFFFAOYSA-N -1 3 275.331 3.082 20 30 CGEDHM C=CCCCCNc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588596396 963293739 /nfs/dbraw/zinc/29/37/39/963293739.db2.gz PPDUUCYISPGEJE-UHFFFAOYSA-N -1 3 275.331 3.082 20 30 CGEDHM C=CC[C@H](NCc1cc(C(=O)[O-])c(CC)[nH]1)c1ccncc1 ZINC001588748872 963309813 /nfs/dbraw/zinc/30/98/13/963309813.db2.gz AAJOZWDJPVKYCA-INIZCTEOSA-N -1 3 299.374 3.077 20 30 CGEDHM CC(=NNc1cccc(C)c1)c1ccccc1-c1nnn[n-]1 ZINC001588780919 963315063 /nfs/dbraw/zinc/31/50/63/963315063.db2.gz SYIWLZPMXCRLCY-UHFFFAOYSA-N -1 3 292.346 3.011 20 30 CGEDHM CC(=NNc1cccc(C)c1)c1ccccc1-c1nn[n-]n1 ZINC001588780919 963315070 /nfs/dbraw/zinc/31/50/70/963315070.db2.gz SYIWLZPMXCRLCY-UHFFFAOYSA-N -1 3 292.346 3.011 20 30 CGEDHM O=C([O-])C[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC001606086605 973249085 /nfs/dbraw/zinc/24/90/85/973249085.db2.gz SLSGJWAGVATFFD-HNNXBMFYSA-N -1 3 291.778 3.021 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621326735 349496485 /nfs/dbraw/zinc/49/64/85/349496485.db2.gz RQGMIHDJPSJYHG-UHFFFAOYSA-N -1 3 287.281 3.449 20 30 CGEDHM CC(C)c1cc(C(=O)N2CC(C#N)C2)c([O-])c(C(C)C)c1 ZINC000590483937 346847306 /nfs/dbraw/zinc/84/73/06/346847306.db2.gz GVVMFHFZGDWYPV-UHFFFAOYSA-N -1 3 286.375 3.235 20 30 CGEDHM CCCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000067841113 345334744 /nfs/dbraw/zinc/33/47/44/345334744.db2.gz UAALREILPXSQLP-UHFFFAOYSA-N -1 3 298.268 3.412 20 30 CGEDHM CCCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000067841113 345334746 /nfs/dbraw/zinc/33/47/46/345334746.db2.gz UAALREILPXSQLP-UHFFFAOYSA-N -1 3 298.268 3.412 20 30 CGEDHM CC(C)(C#N)c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000092107722 345831794 /nfs/dbraw/zinc/83/17/94/345831794.db2.gz BENCJZIQJHFFIV-UHFFFAOYSA-N -1 3 296.326 3.151 20 30 CGEDHM N#Cc1[n-]c(=NCC2CCC(F)CC2)sc1Cl ZINC000596292318 347412001 /nfs/dbraw/zinc/41/20/01/347412001.db2.gz OHGSBDHNHNPOTE-UHFFFAOYSA-N -1 3 273.764 3.030 20 30 CGEDHM CCOCCC1(CN=c2[n-]c(C#N)c(Cl)s2)CCC1 ZINC000596169774 347393999 /nfs/dbraw/zinc/39/39/99/347393999.db2.gz UZFJILDMPNSJTG-UHFFFAOYSA-N -1 3 299.827 3.099 20 30 CGEDHM C=CCCSCCN=c1[n-]cc(C(F)(F)F)s1 ZINC000596413652 347449560 /nfs/dbraw/zinc/44/95/60/347449560.db2.gz QITUJPMHEBKNGT-UHFFFAOYSA-N -1 3 282.356 3.305 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000617044820 348907767 /nfs/dbraw/zinc/90/77/67/348907767.db2.gz TVLZOWVUQWRFLF-BXUZGUMPSA-N -1 3 299.374 3.133 20 30 CGEDHM Cc1csc([N-]C(=O)c2ncoc2C2CC2)c1C#N ZINC000297881515 200297913 /nfs/dbraw/zinc/29/79/13/200297913.db2.gz UUZGNHXJJPRUQB-UHFFFAOYSA-N -1 3 273.317 3.046 20 30 CGEDHM CC[C@@H](/N=C/c1ccc(O)c([O-])c1O)c1nc(C)cs1 ZINC000105356630 370349793 /nfs/dbraw/zinc/34/97/93/370349793.db2.gz BMAOASIMNYEUBB-UWJMNNEMSA-N -1 3 292.360 3.139 20 30 CGEDHM CC(C)Oc1ccc([C@@H](O)C/N=C/c2ccccc2[O-])cc1 ZINC000115961616 370542563 /nfs/dbraw/zinc/54/25/63/370542563.db2.gz OIWARVYWROKSRV-PYJSORCASA-N -1 3 299.370 3.332 20 30 CGEDHM N#C[C@@H](Sc1nnc(-c2ccccn2)[n-]1)C1CCCCC1 ZINC000117113283 370578354 /nfs/dbraw/zinc/57/83/54/370578354.db2.gz BOSCKCPWQXJRFT-CYBMUJFWSA-N -1 3 299.403 3.431 20 30 CGEDHM N#C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C1CCCCC1 ZINC000117113283 370578361 /nfs/dbraw/zinc/57/83/61/370578361.db2.gz BOSCKCPWQXJRFT-CYBMUJFWSA-N -1 3 299.403 3.431 20 30 CGEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[O-] ZINC000134223901 371313455 /nfs/dbraw/zinc/31/34/55/371313455.db2.gz FBNLQMTZHPCLMC-UHFFFAOYSA-N -1 3 296.326 3.060 20 30 CGEDHM N#Cc1ccc2nc(-c3ccc([O-])c(Cl)c3)[nH]c2c1 ZINC000154239351 371830102 /nfs/dbraw/zinc/83/01/02/371830102.db2.gz QKGBEKWECFYONS-UHFFFAOYSA-N -1 3 269.691 3.461 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1cc(F)ccc1OC ZINC000292994338 372273143 /nfs/dbraw/zinc/27/31/43/372273143.db2.gz GGQKFEMXLKBPKN-SECBINFHSA-N -1 3 287.281 3.223 20 30 CGEDHM Cc1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429571550 372375487 /nfs/dbraw/zinc/37/54/87/372375487.db2.gz RQYGWHUDOADTPI-CYBMUJFWSA-N -1 3 290.326 3.065 20 30 CGEDHM C=C[C@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436579852 372837687 /nfs/dbraw/zinc/83/76/87/372837687.db2.gz BCTBGUBPFXWTOW-ZDUSSCGKSA-N -1 3 297.354 3.276 20 30 CGEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436838830 372840291 /nfs/dbraw/zinc/84/02/91/372840291.db2.gz MANWBWQFKOFLDY-MRXNPFEDSA-N -1 3 294.354 3.258 20 30 CGEDHM CCC(CC)n1nc(C([O-])=C(C#N)c2ccccn2)cc1C ZINC000181099616 374081314 /nfs/dbraw/zinc/08/13/14/374081314.db2.gz QWLJKRJFKOYRJS-AWEZNQCLSA-N -1 3 296.374 3.438 20 30 CGEDHM CN(Cc1cccc(C#N)c1)Cc1cc([O-])cc(F)c1 ZINC000186179930 374810837 /nfs/dbraw/zinc/81/08/37/374810837.db2.gz OMGNCPPCXGJVGL-UHFFFAOYSA-N -1 3 270.307 3.035 20 30 CGEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000188601070 375241766 /nfs/dbraw/zinc/24/17/66/375241766.db2.gz XMKAZIKMIMJNTR-AWEZNQCLSA-N -1 3 283.755 3.213 20 30 CGEDHM CC(C)(C(=O)Nc1ccccc1[O-])c1cc(F)cc(C#N)c1 ZINC000334258250 206270262 /nfs/dbraw/zinc/27/02/62/206270262.db2.gz OSSIVPTVIBLWSY-UHFFFAOYSA-N -1 3 298.317 3.319 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1cccc(OC(C)C)c1 ZINC000493499260 375472488 /nfs/dbraw/zinc/47/24/88/375472488.db2.gz ZYIRIKPBANOGTI-ASCRHOAZSA-N -1 3 275.348 3.109 20 30 CGEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NOCC2CC2)s1 ZINC000496093740 375516915 /nfs/dbraw/zinc/51/69/15/375516915.db2.gz VKWGPIRSSBABSX-UHFFFAOYSA-N -1 3 297.380 3.251 20 30 CGEDHM C=CCCCCCNC(=O)c1cc([O-])ccc1F ZINC000571893401 377544182 /nfs/dbraw/zinc/54/41/82/377544182.db2.gz ATUBBIOVRJTMNC-UHFFFAOYSA-N -1 3 251.301 3.008 20 30 CGEDHM NC(=O)c1cccc(N=Cc2c([O-])ccc3ccccc32)c1 ZINC000254843327 377715036 /nfs/dbraw/zinc/71/50/36/377715036.db2.gz LZSTUHLVQSBCKL-UHFFFAOYSA-N -1 3 290.322 3.395 20 30 CGEDHM CCCc1occc1C([O-])=C(C#N)c1ccccn1 ZINC000342642610 377707953 /nfs/dbraw/zinc/70/79/53/377707953.db2.gz RCQVZNMBWSEFJR-LBPRGKRZSA-N -1 3 254.289 3.117 20 30 CGEDHM C=CC1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000578875841 378109374 /nfs/dbraw/zinc/10/93/74/378109374.db2.gz YNVNZNBBGQANJC-LLVKDONJSA-N -1 3 263.337 3.245 20 30 CGEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])OCC ZINC000270066973 378302183 /nfs/dbraw/zinc/30/21/83/378302183.db2.gz AHIDHDOGXJRVFP-CYBMUJFWSA-N -1 3 283.755 3.355 20 30 CGEDHM C=C(C)[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])OCC ZINC000270458414 378353726 /nfs/dbraw/zinc/35/37/26/378353726.db2.gz QFMKRONOPGSGSF-ZDUSSCGKSA-N -1 3 283.755 3.355 20 30 CGEDHM C=C(C)[C@@H](CC(=O)Nc1c(C)cccc1[O-])OCC ZINC000272578227 378668368 /nfs/dbraw/zinc/66/83/68/378668368.db2.gz VYUSEBFWGHAQKU-CYBMUJFWSA-N -1 3 263.337 3.010 20 30 CGEDHM C=CCCCN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280142692 379621218 /nfs/dbraw/zinc/62/12/18/379621218.db2.gz NHRXJFQXWVLQSG-UHFFFAOYSA-N -1 3 287.281 3.449 20 30 CGEDHM C=CCn1c(SCc2ccccc2SC)n[n-]c1=O ZINC000358268098 381298740 /nfs/dbraw/zinc/29/87/40/381298740.db2.gz ZEOUSRAXEOPWOR-UHFFFAOYSA-N -1 3 293.417 3.184 20 30 CGEDHM Cc1cccc(C(=O)Nc2cc(C#N)ccc2C)c1[O-] ZINC000050212880 392063128 /nfs/dbraw/zinc/06/31/28/392063128.db2.gz CIGOLVGYSBEONS-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM N#Cc1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000519691756 392882270 /nfs/dbraw/zinc/88/22/70/392882270.db2.gz JWKPLBCVNTZDRH-UHFFFAOYSA-N -1 3 297.383 3.365 20 30 CGEDHM CCCn1c(SCCC2(C#N)CCCCC2)n[n-]c1=O ZINC000412987366 393015352 /nfs/dbraw/zinc/01/53/52/393015352.db2.gz YSDUEYBMUDWXJE-UHFFFAOYSA-N -1 3 294.424 3.350 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000343006310 393016192 /nfs/dbraw/zinc/01/61/92/393016192.db2.gz DAAUOVPWFFWTHZ-CYBMUJFWSA-N -1 3 296.370 3.017 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)C)nc2)nc(C)n1 ZINC000435749037 393715444 /nfs/dbraw/zinc/71/54/44/393715444.db2.gz HZAHHXINPILDMS-AWEZNQCLSA-N -1 3 294.358 3.102 20 30 CGEDHM C=CCCC[C@H](C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790532 418992251 /nfs/dbraw/zinc/99/22/51/418992251.db2.gz GYDQUEKMKJCEEZ-LBPRGKRZSA-N -1 3 259.349 3.445 20 30 CGEDHM C=CC[C@H]1CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000656759748 419210798 /nfs/dbraw/zinc/21/07/98/419210798.db2.gz KTTHNHKULVLQCE-NSHDSACASA-N -1 3 265.378 3.234 20 30 CGEDHM C=CCN(Cc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000297824215 260135799 /nfs/dbraw/zinc/13/57/99/260135799.db2.gz JJTZSQPWDKECNC-AWEZNQCLSA-N -1 3 283.375 3.240 20 30 CGEDHM [O-]c1ccccc1/C=N/[C@@H]1CCOC2(CCCC2)C1 ZINC000128487677 260817690 /nfs/dbraw/zinc/81/76/90/260817690.db2.gz ILLNFMGTXNTYSN-RFRKOGIWSA-N -1 3 259.349 3.303 20 30 CGEDHM CCc1oc(C([O-])=C(C#N)c2ccccn2)cc1C ZINC000162375761 262328852 /nfs/dbraw/zinc/32/88/52/262328852.db2.gz ICZFXGCFHPFFRA-LLVKDONJSA-N -1 3 254.289 3.036 20 30 CGEDHM CCc1ccc(C(=O)NC(C)(C)C(C)(C)CO)c([O-])c1 ZINC000331224228 264150024 /nfs/dbraw/zinc/15/00/24/264150024.db2.gz BCIKWIQJFDSJQR-UHFFFAOYSA-N -1 3 279.380 3.056 20 30 CGEDHM CCc1ccc(C(=O)N[C@@H](C(C)C)C(C)(C)O)c([O-])c1 ZINC000331229504 264151945 /nfs/dbraw/zinc/15/19/45/264151945.db2.gz HCIZPIUTEVGONK-AWEZNQCLSA-N -1 3 279.380 3.055 20 30 CGEDHM CCc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2OC)c([O-])c1 ZINC000331233598 264173543 /nfs/dbraw/zinc/17/35/43/264173543.db2.gz KAHURWNEMJZUGT-WFASDCNBSA-N -1 3 277.364 3.074 20 30 CGEDHM Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2OC(F)F)c1[O-] ZINC000331249853 264181058 /nfs/dbraw/zinc/18/10/58/264181058.db2.gz XXXCHRALJDIIEX-GHMZBOCLSA-N -1 3 285.290 3.166 20 30 CGEDHM CC[C@@H](C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094079822 265216222 /nfs/dbraw/zinc/21/62/22/265216222.db2.gz YPMPKCWMFFWYBX-HNNXBMFYSA-N -1 3 294.354 3.015 20 30 CGEDHM Cc1nsc([N-]C(=O)c2scnc2C(C)C)c1C#N ZINC000410807360 279266565 /nfs/dbraw/zinc/26/65/65/279266565.db2.gz ABKPLAAZSMBTKI-UHFFFAOYSA-N -1 3 292.389 3.155 20 30 CGEDHM CC[C@@](C)(C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000582102685 327855555 /nfs/dbraw/zinc/85/55/55/327855555.db2.gz YYBLDNIJYZOCKF-SFHVURJKSA-N -1 3 296.370 3.286 20 30 CGEDHM N#CCCSc1ccccc1[N-]C(=O)c1cncs1 ZINC000340068075 328238450 /nfs/dbraw/zinc/23/84/50/328238450.db2.gz YEBFNDYNNGPZPM-UHFFFAOYSA-N -1 3 289.385 3.401 20 30 CGEDHM CCc1cc(C(=O)N(CCC#N)CCC(C)C)ccc1[O-] ZINC000291431021 328263427 /nfs/dbraw/zinc/26/34/27/328263427.db2.gz FGJPZVBNFWWUHU-UHFFFAOYSA-N -1 3 288.391 3.357 20 30 CGEDHM C=CCCCN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000152684097 327289715 /nfs/dbraw/zinc/28/97/15/327289715.db2.gz UXPYDBNRXPCZOG-UHFFFAOYSA-N -1 3 267.756 3.013 20 30 CGEDHM CSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000041493971 328708813 /nfs/dbraw/zinc/70/88/13/328708813.db2.gz KDZBBHHZQUXBIA-GFCCVEGCSA-N -1 3 268.341 3.294 20 30 CGEDHM C=CCCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000177766657 329186816 /nfs/dbraw/zinc/18/68/16/329186816.db2.gz ZMKIMARAQDASKQ-UHFFFAOYSA-N -1 3 297.358 3.040 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)sc1C ZINC000041493834 329564325 /nfs/dbraw/zinc/56/43/25/329564325.db2.gz HYBZJXPFANGCQH-NSHDSACASA-N -1 3 256.330 3.250 20 30 CGEDHM C=C[C@@H](CC(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000089477317 330385334 /nfs/dbraw/zinc/38/53/34/330385334.db2.gz NVHFCJXTMRLUKC-LBPRGKRZSA-N -1 3 268.316 3.086 20 30 CGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429841467 330555684 /nfs/dbraw/zinc/55/56/84/330555684.db2.gz QRAADKMPWPFVOO-QMMMGPOBSA-N -1 3 294.203 3.236 20 30 CGEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000451805642 331043095 /nfs/dbraw/zinc/04/30/95/331043095.db2.gz YDCIDZWIUWEAKE-UHFFFAOYSA-N -1 3 299.339 3.011 20 30 CGEDHM C#CCN(C(=O)c1ccc(C)c(C)c1[O-])C1CCCC1 ZINC000490925805 332130132 /nfs/dbraw/zinc/13/01/32/332130132.db2.gz YIZUIKXZXRWAAW-UHFFFAOYSA-N -1 3 271.360 3.027 20 30 CGEDHM C#C[C@@H](/N=C/c1ccccc1[O-])c1ccc(F)cc1 ZINC000491712102 332303411 /nfs/dbraw/zinc/30/34/11/332303411.db2.gz XFKPOJIKFRQCAC-CLXYIWAZSA-N -1 3 253.276 3.325 20 30 CGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000088474834 333089282 /nfs/dbraw/zinc/08/92/82/333089282.db2.gz KDPNXUXAQHNUGE-CYBMUJFWSA-N -1 3 280.393 3.028 20 30 CGEDHM C=CCOc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000195624759 333257920 /nfs/dbraw/zinc/25/79/20/333257920.db2.gz WQEFESQEMQMWJU-UHFFFAOYSA-N -1 3 299.326 3.218 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc3ncccc3c2)n1 ZINC000136093987 334146356 /nfs/dbraw/zinc/14/63/56/334146356.db2.gz DQPCWPQHLGCFRY-CYBMUJFWSA-N -1 3 293.351 3.490 20 30 CGEDHM C=CCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000154198197 334690386 /nfs/dbraw/zinc/69/03/86/334690386.db2.gz QOWMTHLFJWYSGD-UHFFFAOYSA-N -1 3 281.355 3.241 20 30 CGEDHM N#Cc1csc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350564192 335514245 /nfs/dbraw/zinc/51/42/45/335514245.db2.gz FOQCZXIDTZBZKL-UHFFFAOYSA-N -1 3 269.285 3.042 20 30 CGEDHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1csc(=O)[n-]1 ZINC000329172005 534754517 /nfs/dbraw/zinc/75/45/17/534754517.db2.gz KVLIGMIVKALQPS-QMMMGPOBSA-N -1 3 290.335 3.369 20 30 CGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000350412566 527032805 /nfs/dbraw/zinc/03/28/05/527032805.db2.gz LBKMADRQDGPIAA-SECBINFHSA-N -1 3 297.351 3.123 20 30 CGEDHM CC(C)COc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354467214 528167151 /nfs/dbraw/zinc/16/71/51/528167151.db2.gz KWHLIFWPIHKBIM-HNNXBMFYSA-N -1 3 295.342 3.001 20 30 CGEDHM CCN(Cc1cc([O-])cc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000356091563 528765866 /nfs/dbraw/zinc/76/58/66/528765866.db2.gz SNQYSZRNKALDFT-JTQLQIEISA-N -1 3 286.297 3.393 20 30 CGEDHM COc1ccc(C=NNc2cccc3cnccc32)c([O-])c1 ZINC000728432208 571806069 /nfs/dbraw/zinc/80/60/69/571806069.db2.gz PENPEVGNBJKDFI-UHFFFAOYSA-N -1 3 293.326 3.395 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cccnc2C)ccc1[O-] ZINC000728787746 571822598 /nfs/dbraw/zinc/82/25/98/571822598.db2.gz SHVSBTNNFIBUJB-VMPITWQZSA-N -1 3 253.301 3.300 20 30 CGEDHM COc1cccc([O-])c1/C=N\Cc1ccc(C#N)cc1F ZINC000729819354 571933250 /nfs/dbraw/zinc/93/32/50/571933250.db2.gz IADQWRXLZOBQCW-GRSHGNNSSA-N -1 3 284.290 3.031 20 30 CGEDHM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc([O-])cc1F ZINC000729932474 571937561 /nfs/dbraw/zinc/93/75/61/571937561.db2.gz BNMJHKYZQNLJNI-UHFFFAOYSA-N -1 3 298.321 3.254 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cccc(OCC#N)c2)ccc1[O-] ZINC000730149181 571951703 /nfs/dbraw/zinc/95/17/03/571951703.db2.gz COOJDLVGEASKKP-FNORWQNLSA-N -1 3 293.322 3.499 20 30 CGEDHM CO[C@@H](C)CC/N=C\c1c([O-])ccc2ccccc21 ZINC000726428477 572576628 /nfs/dbraw/zinc/57/66/28/572576628.db2.gz BKOMIGNHNJOTDO-UEMWTREESA-N -1 3 257.333 3.389 20 30 CGEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744016967 572697143 /nfs/dbraw/zinc/69/71/43/572697143.db2.gz WSPKOMHTIQJIST-VFNNOXKTSA-N -1 3 292.338 3.334 20 30 CGEDHM C=CCCCSCc1cc(-c2nnn[n-]2)ccc1F ZINC000735412763 572717384 /nfs/dbraw/zinc/71/73/84/572717384.db2.gz KLNGYVBBXMAEIA-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=CCCCSCc1cc(-c2nn[n-]n2)ccc1F ZINC000735412763 572717388 /nfs/dbraw/zinc/71/73/88/572717388.db2.gz KLNGYVBBXMAEIA-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@H](C)CCc1cccn1C ZINC000741845841 572720227 /nfs/dbraw/zinc/72/02/27/572720227.db2.gz WZUOMIGEQLWQOK-RNEAKCBISA-N -1 3 286.375 3.180 20 30 CGEDHM Cc1cccc2c1NC(=O)C2=N[N-]c1c(F)cccc1F ZINC000735615506 572734629 /nfs/dbraw/zinc/73/46/29/572734629.db2.gz RORVEVLWHDRZPH-UHFFFAOYSA-N -1 3 287.269 3.042 20 30 CGEDHM COC[C@H](Cc1ccccc1)/N=C\c1c([O-])cccc1OC ZINC000746815327 572896906 /nfs/dbraw/zinc/89/69/06/572896906.db2.gz HDDQQOKOWJCGCI-CCRNYGKSSA-N -1 3 299.370 3.077 20 30 CGEDHM COC[C@@H](Cc1ccccc1)/N=C\c1ccccc1[O-] ZINC000746817161 572897060 /nfs/dbraw/zinc/89/70/60/572897060.db2.gz XIGFSOAEIPYGLR-UWCCDQBKSA-N -1 3 269.344 3.069 20 30 CGEDHM COc1ccc(C#N)cc1N=Cc1ccccc1[O-] ZINC000747362140 572926813 /nfs/dbraw/zinc/92/68/13/572926813.db2.gz OQUPURBYJJGJMR-UHFFFAOYSA-N -1 3 252.273 3.023 20 30 CGEDHM Cc1cccc(NC(=S)Nc2ccccc2C#N)c1[O-] ZINC000749001634 572988087 /nfs/dbraw/zinc/98/80/87/572988087.db2.gz POIRFWSATJGMDH-UHFFFAOYSA-N -1 3 283.356 3.381 20 30 CGEDHM CCOc1ccc(/C=N\CC2CCC(OC)CC2)c([O-])c1 ZINC000749932157 573062136 /nfs/dbraw/zinc/06/21/36/573062136.db2.gz ZWNUIHMCTIWLRO-PDGQHHTCSA-N -1 3 291.391 3.415 20 30 CGEDHM CCn1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)c(C)n1 ZINC000899353653 620649674 /nfs/dbraw/zinc/64/96/74/620649674.db2.gz VCWNUHLOIWPRAL-SOFGYWHQSA-N -1 3 270.332 3.122 20 30 CGEDHM CCn1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)c(C)n1 ZINC000899353654 620649718 /nfs/dbraw/zinc/64/97/18/620649718.db2.gz VCWNUHLOIWPRAL-VURMDHGXSA-N -1 3 270.332 3.122 20 30 CGEDHM N#Cc1cccc(SCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822837566 606327948 /nfs/dbraw/zinc/32/79/48/606327948.db2.gz NYNBTHWPBSWVFE-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1cccc(SCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837566 606327952 /nfs/dbraw/zinc/32/79/52/606327952.db2.gz NYNBTHWPBSWVFE-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM C=CCCCCCN(C)C(=O)c1c([O-])cccc1OC ZINC000900791934 620813155 /nfs/dbraw/zinc/81/31/55/620813155.db2.gz ADWBXTYFUJJDBA-UHFFFAOYSA-N -1 3 277.364 3.219 20 30 CGEDHM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1C ZINC000162418191 619083104 /nfs/dbraw/zinc/08/31/04/619083104.db2.gz SLUMZHQFIFECAW-CYBMUJFWSA-N -1 3 296.326 3.112 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(C)(C)C#N)n[n-]2)o1 ZINC000178814289 619398896 /nfs/dbraw/zinc/39/88/96/619398896.db2.gz RIXIXQFSWBSESK-SNVBAGLBSA-N -1 3 287.319 3.073 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(C)(C)C#N)[n-]n2)o1 ZINC000178814289 619398901 /nfs/dbraw/zinc/39/89/01/619398901.db2.gz RIXIXQFSWBSESK-SNVBAGLBSA-N -1 3 287.319 3.073 20 30 CGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cncs1 ZINC000767723491 625370582 /nfs/dbraw/zinc/37/05/82/625370582.db2.gz VMYXXXLZNZCZEB-YHESJLBYSA-N -1 3 275.304 3.371 20 30 CGEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000901311922 620854804 /nfs/dbraw/zinc/85/48/04/620854804.db2.gz SISIABYJXDAAJL-DDFAGTSDSA-N -1 3 296.798 3.315 20 30 CGEDHM CC1(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000901370482 620865505 /nfs/dbraw/zinc/86/55/05/620865505.db2.gz IWRSRKSARDHRJJ-UHFFFAOYSA-N -1 3 255.317 3.358 20 30 CGEDHM O=C(CCCF)N([O-])Cc1cccc2ccccc21 ZINC000901370697 620865871 /nfs/dbraw/zinc/86/58/71/620865871.db2.gz DUCMGTPTBRMFPE-UHFFFAOYSA-N -1 3 261.296 3.307 20 30 CGEDHM C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CCc2ccccc21 ZINC000901371683 620866540 /nfs/dbraw/zinc/86/65/40/620866540.db2.gz HKAKCOXALCVNNW-GOSISDBHSA-N -1 3 299.345 3.448 20 30 CGEDHM CCCc1occc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371305 620866740 /nfs/dbraw/zinc/86/67/40/620866740.db2.gz ACDCAHJVSQYLAH-UHFFFAOYSA-N -1 3 277.295 3.403 20 30 CGEDHM CCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCC1 ZINC000901372411 620867555 /nfs/dbraw/zinc/86/75/55/620867555.db2.gz YLWCGBMKRZDDPC-UHFFFAOYSA-N -1 3 251.301 3.124 20 30 CGEDHM Cc1ccc(C)c(CC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901375769 620868027 /nfs/dbraw/zinc/86/80/27/620868027.db2.gz MKSMUMHQIWUFPC-UHFFFAOYSA-N -1 3 287.334 3.403 20 30 CGEDHM O=C(Cc1ccc(F)c(F)c1)N([O-])Cc1ccc(F)cc1 ZINC000901376544 620868636 /nfs/dbraw/zinc/86/86/36/620868636.db2.gz VOBWRYRAPMHXOL-UHFFFAOYSA-N -1 3 295.260 3.064 20 30 CGEDHM O=C(Cc1c(F)cccc1F)N([O-])Cc1ccc(F)cc1 ZINC000901376100 620868732 /nfs/dbraw/zinc/86/87/32/620868732.db2.gz PJTITOLJKZSTLC-UHFFFAOYSA-N -1 3 295.260 3.064 20 30 CGEDHM CO[C@@H](C)CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182417 621881942 /nfs/dbraw/zinc/88/19/42/621881942.db2.gz CPGUHNLHTKMOPG-QMMMGPOBSA-N -1 3 292.162 3.136 20 30 CGEDHM O=C([C@H]1CC=CCC1)N([O-])Cc1ccccc1Cl ZINC000904187383 621882721 /nfs/dbraw/zinc/88/27/21/621882721.db2.gz KNTXSGCFQDIDPY-NSHDSACASA-N -1 3 265.740 3.414 20 30 CGEDHM O=C(CC[C@H]1CCCO1)N([O-])Cc1ccccc1Cl ZINC000904187108 621883089 /nfs/dbraw/zinc/88/30/89/621883089.db2.gz FVJFIOCBBQGWJG-GFCCVEGCSA-N -1 3 283.755 3.017 20 30 CGEDHM O=C(c1coc(C2CCC2)n1)N([O-])Cc1ccc(F)cc1 ZINC000904174403 621884753 /nfs/dbraw/zinc/88/47/53/621884753.db2.gz ZZRBHVUIZOTQSR-UHFFFAOYSA-N -1 3 290.294 3.113 20 30 CGEDHM O=C(C[C@@H]1CCC(F)(F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904173868 621884785 /nfs/dbraw/zinc/88/47/85/621884785.db2.gz RQOQQCQGJMRXRE-NSHDSACASA-N -1 3 287.281 3.369 20 30 CGEDHM CC[C@H]1C[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904173454 621885220 /nfs/dbraw/zinc/88/52/20/621885220.db2.gz MUWDRBQLCFYYAN-HIFRSBDPSA-N -1 3 295.354 3.139 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@@H](C)C(F)(F)F ZINC000904206931 621886247 /nfs/dbraw/zinc/88/62/47/621886247.db2.gz MNZWEXLGFMHERJ-SECBINFHSA-N -1 3 255.280 3.373 20 30 CGEDHM CC(C)COCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188556 621886388 /nfs/dbraw/zinc/88/63/88/621886388.db2.gz DUMOHGOOAQRHDS-UHFFFAOYSA-N -1 3 285.771 3.121 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](CC)CC(F)F ZINC000904206866 621886390 /nfs/dbraw/zinc/88/63/90/621886390.db2.gz LRKGNSRPYHAYAD-SNVBAGLBSA-N -1 3 251.317 3.466 20 30 CGEDHM O=C(c1conc1C1CC1)N([O-])Cc1ccccc1Cl ZINC000904193007 621887438 /nfs/dbraw/zinc/88/74/38/621887438.db2.gz IKLLFXJBCSLSNL-UHFFFAOYSA-N -1 3 292.722 3.237 20 30 CGEDHM CC[C@](C)(C#N)C(=O)N([O-])CCCCc1ccccc1 ZINC000904198246 621888400 /nfs/dbraw/zinc/88/84/00/621888400.db2.gz XQPYJQTYSGDQND-MRXNPFEDSA-N -1 3 274.364 3.167 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1ccccn1 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283.327 3.252 20 30 CGEDHM CC(=NNCC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC001116082253 802297165 /nfs/dbraw/zinc/29/71/65/802297165.db2.gz FHNCNXLLIJECRP-UHFFFAOYSA-N -1 3 298.386 3.286 20 30 CGEDHM Cc1cc(F)ncc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001243761025 802987093 /nfs/dbraw/zinc/98/70/93/802987093.db2.gz XTPVYWWRLYZKKL-JXAWBTAJSA-N -1 3 256.280 3.321 20 30 CGEDHM Cc1cc(C#N)nc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205073494 812848769 /nfs/dbraw/zinc/84/87/69/812848769.db2.gz PCUXCKQFYFYUAD-UHFFFAOYSA-N -1 3 279.221 3.048 20 30 CGEDHM CCc1cc(-c2ccc(/C=N/[O-])c(F)c2)ccc1N ZINC001244309384 803291040 /nfs/dbraw/zinc/29/10/40/803291040.db2.gz PZKMVDPTDFSVFZ-GIJQJNRQSA-N -1 3 258.296 3.445 20 30 CGEDHM O=c1ccc2c(cccc2-c2ccccc2C=N[O-])[nH]1 ZINC001244317345 803299077 /nfs/dbraw/zinc/29/90/77/803299077.db2.gz AXZSKXLQJKKYAF-UHFFFAOYSA-N -1 3 264.284 3.416 20 30 CGEDHM Cc1cc(-c2ccc(C#N)c(CC#N)c2)cc([O-])c1F ZINC001244515746 803414013 /nfs/dbraw/zinc/41/40/13/803414013.db2.gz MDZQHBTUOBPGDD-UHFFFAOYSA-N -1 3 266.275 3.444 20 30 CGEDHM Cc1cc(-c2ccc3ncnc(C#N)c3c2)cc([O-])c1F ZINC001244520949 803415331 /nfs/dbraw/zinc/41/53/31/803415331.db2.gz OWAQXFGHMGHWLF-UHFFFAOYSA-N -1 3 279.274 3.322 20 30 CGEDHM [O-]/N=C/c1cccc(-c2cccc(Cl)c2CO)c1 ZINC001244578518 803449640 /nfs/dbraw/zinc/44/96/40/803449640.db2.gz WVIAEEFGUKCWMX-LZYBPNLTSA-N -1 3 261.708 3.307 20 30 CGEDHM N#Cc1c(Cl)cccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001244734562 803515386 /nfs/dbraw/zinc/51/53/86/803515386.db2.gz VJGXLTPRQYFUGP-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM N#Cc1c(Cl)cccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001244734562 803515388 /nfs/dbraw/zinc/51/53/88/803515388.db2.gz VJGXLTPRQYFUGP-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM N#CC1(c2ccc(Nc3cc(=O)[n-]c(C4CC4)n3)cc2)CC1 ZINC001212247647 814996433 /nfs/dbraw/zinc/99/64/33/814996433.db2.gz PKVDKQJERCFPDE-UHFFFAOYSA-N -1 3 292.342 3.358 20 30 CGEDHM C=CCN(Cc1ccc([O-])c(F)c1F)C(C)(C)C ZINC001140892612 804543269 /nfs/dbraw/zinc/54/32/69/804543269.db2.gz 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/nfs/dbraw/zinc/02/03/43/808020343.db2.gz KZXDNGTTXHTGJU-BRMCRPDNSA-N -1 3 268.316 3.178 20 30 CGEDHM COCc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001174925344 809203334 /nfs/dbraw/zinc/20/33/34/809203334.db2.gz VINNDELXLYORPG-UHFFFAOYSA-N -1 3 254.289 3.154 20 30 CGEDHM N#Cc1cc2c(ccn2-c2c(F)cc([O-])cc2F)c(N)c1 ZINC001175097676 809269681 /nfs/dbraw/zinc/26/96/81/809269681.db2.gz SXTZVMQMTDWIMP-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM COc1ccc(F)c(Nc2cc(C#N)ccc2[O-])c1F ZINC001175119225 809279246 /nfs/dbraw/zinc/27/92/46/809279246.db2.gz LDPWETUMXINVRR-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM C=CC(C)(C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001297825982 809523590 /nfs/dbraw/zinc/52/35/90/809523590.db2.gz MXINURRYDNVVMK-UHFFFAOYSA-N -1 3 269.344 3.487 20 30 CGEDHM CC(=O)c1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1[O-] ZINC001298744698 809537894 /nfs/dbraw/zinc/53/78/94/809537894.db2.gz PRGOMWANXKWXJG-UHFFFAOYSA-N -1 3 294.310 3.027 20 30 CGEDHM CC#CCCCCCCCC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001182764745 810122956 /nfs/dbraw/zinc/12/29/56/810122956.db2.gz NDMSIVVKVRGEJL-UHFFFAOYSA-N -1 3 289.379 3.183 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)c1c(F)cccc1F ZINC001184314713 810190716 /nfs/dbraw/zinc/19/07/16/810190716.db2.gz HTRGOLMZASAOSX-SECBINFHSA-N -1 3 257.280 3.086 20 30 CGEDHM CCCCN([O-])C(=O)c1cnc(C(C)(C)C)s1 ZINC001184314749 810190757 /nfs/dbraw/zinc/19/07/57/810190757.db2.gz IYWHVQQKFXGTQY-UHFFFAOYSA-N -1 3 256.371 3.072 20 30 CGEDHM C[C@@H]1CCC[C@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC001184347722 810195234 /nfs/dbraw/zinc/19/52/34/810195234.db2.gz BBKRORRJMWFQAF-YPMHNXCESA-N -1 3 265.328 3.370 20 30 CGEDHM Cc1ccc(OC(=O)Nc2ccc([O-])cc2C#N)cc1 ZINC001194463126 811080909 /nfs/dbraw/zinc/08/09/09/811080909.db2.gz UDTWIYRIJWDERU-UHFFFAOYSA-N -1 3 268.272 3.183 20 30 CGEDHM Cn1ccc2cccc(C(=O)Nc3ccc([O-])c(C#N)c3)c21 ZINC001199017992 811554781 /nfs/dbraw/zinc/55/47/81/811554781.db2.gz IQGIQEZWSAKPAQ-UHFFFAOYSA-N -1 3 291.310 3.008 20 30 CGEDHM N#Cc1ccc(Nc2cncc([O-])c2)c(OC(F)(F)F)c1 ZINC001201639852 811927569 /nfs/dbraw/zinc/92/75/69/811927569.db2.gz VMWABAANRMQCRV-UHFFFAOYSA-N -1 3 295.220 3.301 20 30 CGEDHM Cc1cc(F)cc(NC(=O)Nc2cccc(C#N)c2)c1[O-] ZINC001202788012 812174680 /nfs/dbraw/zinc/17/46/80/812174680.db2.gz PPFHIIYOOCOZLD-UHFFFAOYSA-N -1 3 285.278 3.355 20 30 CGEDHM N#Cc1cnoc1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210822031 814644621 /nfs/dbraw/zinc/64/46/21/814644621.db2.gz AWWANAQZWKCZMZ-UHFFFAOYSA-N -1 3 269.182 3.014 20 30 CGEDHM N#Cc1cc(Nc2ccc(F)cc2[N+](=O)[O-])ccc1[O-] ZINC001210953700 814690579 /nfs/dbraw/zinc/69/05/79/814690579.db2.gz PSPWAEJTJOVCBC-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM N#CCCOc1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243062948 823232957 /nfs/dbraw/zinc/23/29/57/823232957.db2.gz QKEJLNHJQYDOID-UHFFFAOYSA-N -1 3 257.264 3.491 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cccc(F)c2)[n-]1 ZINC001225466519 817061307 /nfs/dbraw/zinc/06/13/07/817061307.db2.gz FCMYDRPPQRQYIE-SNVBAGLBSA-N -1 3 272.279 3.246 20 30 CGEDHM C#C[C@H](CCCCC)Oc1[n-]c(=S)ncc1C ZINC001225740092 817162871 /nfs/dbraw/zinc/16/28/71/817162871.db2.gz COURZUMZWGVVFP-LLVKDONJSA-N -1 3 250.367 3.035 20 30 CGEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)ncc1C(C)=O ZINC001226237579 817305976 /nfs/dbraw/zinc/30/59/76/817305976.db2.gz KNJXEOPTSYRGTI-JKOKRWQUSA-N -1 3 290.363 3.145 20 30 CGEDHM C=C[C@@H](CCCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226483327 817371539 /nfs/dbraw/zinc/37/15/39/817371539.db2.gz VXROBMUQOSWYBF-NSHDSACASA-N -1 3 264.321 3.424 20 30 CGEDHM C#C[C@H](CC(C)C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531762 817389031 /nfs/dbraw/zinc/38/90/31/817389031.db2.gz HJAGLAZETFDUAP-GFCCVEGCSA-N -1 3 286.327 3.234 20 30 CGEDHM COc1cccc2c1[C@H](Oc1cc(C#N)ccc1[O-])CCO2 ZINC001227350341 817629327 /nfs/dbraw/zinc/62/93/27/817629327.db2.gz MQGDHRXQBDLHFB-OAHLLOKOSA-N -1 3 297.310 3.175 20 30 CGEDHM N#C[C@H](Oc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227979689 817771862 /nfs/dbraw/zinc/77/18/62/817771862.db2.gz GXCJDBRFIIDQDY-LBPRGKRZSA-N -1 3 260.680 3.084 20 30 CGEDHM C[C@H](Oc1ncc(Cl)cc1[O-])c1ccccc1C#N ZINC001227983939 817773212 /nfs/dbraw/zinc/77/32/12/817773212.db2.gz XANYANBZMSJLFI-VIFPVBQESA-N -1 3 274.707 3.452 20 30 CGEDHM C=C[C@@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228351425 817885552 /nfs/dbraw/zinc/88/55/52/817885552.db2.gz HQBIWJBFKAJRDE-SNVBAGLBSA-N -1 3 258.346 3.386 20 30 CGEDHM C=CCC[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689066 817973689 /nfs/dbraw/zinc/97/36/89/817973689.db2.gz PKKOZNGQAQFTLB-JTQLQIEISA-N -1 3 266.297 3.127 20 30 CGEDHM C#C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)[C@@H](CC)CCCC ZINC001228698189 817978127 /nfs/dbraw/zinc/97/81/27/817978127.db2.gz OQFTWLUWBNEAJQ-DZGCQCFKSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)[C@@H](CC)CCCC ZINC001228698189 817978132 /nfs/dbraw/zinc/97/81/32/817978132.db2.gz OQFTWLUWBNEAJQ-DZGCQCFKSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228853031 818022509 /nfs/dbraw/zinc/02/25/09/818022509.db2.gz FVWGWTNJWBQHGC-QGZVFWFLSA-N -1 3 278.307 3.274 20 30 CGEDHM N#C[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455016 818623647 /nfs/dbraw/zinc/62/36/47/818623647.db2.gz SGTLUEKOMNITQO-SNVBAGLBSA-N -1 3 284.281 3.147 20 30 CGEDHM C#C[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001233507104 818630224 /nfs/dbraw/zinc/63/02/24/818630224.db2.gz UXXHJMXYXHSQLZ-GFCCVEGCSA-N -1 3 293.710 3.161 20 30 CGEDHM C#C[C@H](CCCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802503 818708367 /nfs/dbraw/zinc/70/83/67/818708367.db2.gz GXWYHTDBCJGGJA-KWWJGWKXSA-N -1 3 261.321 3.074 20 30 CGEDHM C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234511803 818869793 /nfs/dbraw/zinc/86/97/93/818869793.db2.gz VXJPQZOEZKAAPT-ZYHUDNBSSA-N -1 3 283.331 3.165 20 30 CGEDHM CC(=O)Nc1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001239781826 820600679 /nfs/dbraw/zinc/60/06/79/820600679.db2.gz GKCRQFGGAWNACI-RQZCQDPDSA-N -1 3 272.279 3.259 20 30 CGEDHM COc1cccc(-c2cccc(/C=N/[O-])c2)c1OC ZINC001239816388 820631462 /nfs/dbraw/zinc/63/14/62/820631462.db2.gz GIUSDHHNIQGLGH-MHWRWJLKSA-N -1 3 257.289 3.179 20 30 CGEDHM COCc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001239937154 820717910 /nfs/dbraw/zinc/71/79/10/820717910.db2.gz PLPODVLHMGTKMF-RQZCQDPDSA-N -1 3 259.280 3.447 20 30 CGEDHM O=C(c1cccc(-c2cccc(/C=N/[O-])c2)c1)N1CCCC1 ZINC001240059892 820807536 /nfs/dbraw/zinc/80/75/36/820807536.db2.gz ZRNFDMJHAPOYEL-CPNJWEJPSA-N -1 3 294.354 3.398 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2cccc(F)n2)c(C)s1 ZINC001344587228 936539236 /nfs/dbraw/zinc/53/92/36/936539236.db2.gz PQKNDLCGUCVMKP-LLVKDONJSA-N -1 3 274.320 3.389 20 30 CGEDHM CCCCN([O-])C(=O)COc1cc(Cl)ccc1Cl ZINC001458009776 937448512 /nfs/dbraw/zinc/44/85/12/937448512.db2.gz FZTIXRWJERSRLE-UHFFFAOYSA-N -1 3 292.162 3.390 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@H]1COc2ccccc2O1 ZINC001458012800 937448580 /nfs/dbraw/zinc/44/85/80/937448580.db2.gz XPLYVHBCRYVRBN-ZDUSSCGKSA-N -1 3 293.363 3.015 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1cc(F)ccc1OC ZINC001306896523 932762828 /nfs/dbraw/zinc/76/28/28/932762828.db2.gz ABGNPKBMTUXNKS-UHFFFAOYSA-N -1 3 283.343 3.175 20 30 CGEDHM C[C@H]1CCN(C(=O)c2csc(C#N)c2)c2c([O-])cccc21 ZINC001328001508 935108153 /nfs/dbraw/zinc/10/81/53/935108153.db2.gz OQYUCWXWORTIRP-JTQLQIEISA-N -1 3 298.367 3.479 20 30 CGEDHM C=CCC[C@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001336219393 936181687 /nfs/dbraw/zinc/18/16/87/936181687.db2.gz VNPHXSLAUCRTCU-ZDUSSCGKSA-N -1 3 277.339 3.031 20 30 CGEDHM C=CCC1(NC(=O)c2ccc(OC)cc2[O-])CCCCC1 ZINC001556622032 938204644 /nfs/dbraw/zinc/20/46/44/938204644.db2.gz HYKZMCVHIBIKPV-UHFFFAOYSA-N -1 3 289.375 3.410 20 30 CGEDHM O=C(c1ccc(Cl)nc1)N([O-])Cc1ccccc1Cl ZINC001559032782 938218934 /nfs/dbraw/zinc/21/89/34/938218934.db2.gz IIRNZAJSCBVMCT-UHFFFAOYSA-N -1 3 297.141 3.420 20 30 CGEDHM CC(C)CO[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001559034295 938218948 /nfs/dbraw/zinc/21/89/48/938218948.db2.gz UKWAZFPQGNFLCQ-OAHLLOKOSA-N -1 3 293.407 3.288 20 30 CGEDHM CCCCN([O-])C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001559035203 938219256 /nfs/dbraw/zinc/21/92/56/938219256.db2.gz HCVPSMLGYOFLMY-UHFFFAOYSA-N -1 3 265.328 3.166 20 30 CGEDHM Cc1ccc(C#N)cc1NC(=O)NCc1c([O-])cccc1F ZINC001562450373 938298916 /nfs/dbraw/zinc/29/89/16/938298916.db2.gz MVUMWIVOKLESQG-UHFFFAOYSA-N -1 3 299.305 3.033 20 30 CGEDHM C=CCC[C@@H](CCC)Nc1cccc(-c2nnn[n-]2)c1 ZINC001573334294 962250921 /nfs/dbraw/zinc/25/09/21/962250921.db2.gz LQOKBKAXCLAIHU-CYBMUJFWSA-N -1 3 271.368 3.414 20 30 CGEDHM C=CCC[C@@H](CCC)Nc1cccc(-c2nn[n-]n2)c1 ZINC001573334294 962250928 /nfs/dbraw/zinc/25/09/28/962250928.db2.gz LQOKBKAXCLAIHU-CYBMUJFWSA-N -1 3 271.368 3.414 20 30 CGEDHM C=CC[C@H](C(=O)[O-])N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001573351255 962976006 /nfs/dbraw/zinc/97/60/06/962976006.db2.gz RPWWMPCKFIXKBZ-CYBMUJFWSA-N -1 3 299.292 3.093 20 30 CGEDHM C=CC[C@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588558529 963282799 /nfs/dbraw/zinc/28/27/99/963282799.db2.gz AEMBABBGZDWRRW-JSGCOSHPSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588558529 963282809 /nfs/dbraw/zinc/28/28/09/963282809.db2.gz AEMBABBGZDWRRW-JSGCOSHPSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CCC(C)(C)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314732988 963799638 /nfs/dbraw/zinc/79/96/38/963799638.db2.gz ARNCUBWOSQAMCW-VIFPVBQESA-N -1 3 268.382 3.094 20 30 CGEDHM C=C(C)CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621945441 349611592 /nfs/dbraw/zinc/61/15/92/349611592.db2.gz ODJVMMQBQSAEDC-UHFFFAOYSA-N -1 3 273.254 3.059 20 30 CGEDHM N#Cc1ccc([N-]S(=O)(=O)CCC2CCCC2)cc1F ZINC000590741861 346870792 /nfs/dbraw/zinc/87/07/92/346870792.db2.gz JMFASAQEXGHEJI-UHFFFAOYSA-N -1 3 296.367 3.019 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2cccc(C#N)n2)c([O-])c1 ZINC000589463201 346798194 /nfs/dbraw/zinc/79/81/94/346798194.db2.gz VPKOEUYENRCSHY-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2cc(C(C)(C)C)on2)n1 ZINC000598851489 347693850 /nfs/dbraw/zinc/69/38/50/347693850.db2.gz AWOGJMJDXOXDIX-UHFFFAOYSA-N -1 3 298.346 3.108 20 30 CGEDHM N#Cc1[n-]c(=NC[C@H]2CCCC23CC3)sc1Cl ZINC000599197817 347725412 /nfs/dbraw/zinc/72/54/12/347725412.db2.gz ADSNALFWPVUXIQ-MRVPVSSYSA-N -1 3 267.785 3.082 20 30 CGEDHM CCc1nocc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000602230807 347942646 /nfs/dbraw/zinc/94/26/46/347942646.db2.gz UGYZNAXUXYPWBP-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM Cc1nsc([N-]C(=O)c2cc(F)c(C)cc2F)c1C#N ZINC000619573350 349259885 /nfs/dbraw/zinc/25/98/85/349259885.db2.gz HKNWBELBZKAMOG-UHFFFAOYSA-N -1 3 293.298 3.162 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(SC)ccc1[O-] ZINC000620302078 349353018 /nfs/dbraw/zinc/35/30/18/349353018.db2.gz QOPMZMDDCBMWLP-TXEJJXNPSA-N -1 3 289.400 3.437 20 30 CGEDHM C[C@@H]([N-]c1nnc(C(F)F)o1)c1ccc(C#N)cc1 ZINC000292444364 198291818 /nfs/dbraw/zinc/29/18/18/198291818.db2.gz IAXJHIDWQCXABR-SSDOTTSWSA-N -1 3 264.235 3.052 20 30 CGEDHM C=CCCCCCN(C)C(=O)c1cccc(OC)c1[O-] ZINC000156835503 188283913 /nfs/dbraw/zinc/28/39/13/188283913.db2.gz QYJNFOHAOBIKDG-UHFFFAOYSA-N -1 3 277.364 3.219 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000182597127 189328752 /nfs/dbraw/zinc/32/87/52/189328752.db2.gz UFXRDEJWEVWENA-UHFFFAOYSA-N -1 3 283.331 3.142 20 30 CGEDHM N#CC(=C([O-])c1ccccc1OC(F)F)c1ccccn1 ZINC000041482579 369186807 /nfs/dbraw/zinc/18/68/07/369186807.db2.gz AYBNVCWWQTZIAJ-NSHDSACASA-N -1 3 288.253 3.173 20 30 CGEDHM C[C@H](O[N-]C(=O)/C=C\c1ccc(C#N)cc1)c1ccccc1 ZINC000493307967 244138892 /nfs/dbraw/zinc/13/88/92/244138892.db2.gz WYNVJYQANJYWNF-NYHXXUGCSA-N -1 3 292.338 3.380 20 30 CGEDHM Cc1noc(C)c1[C@@H](C)C/N=C/c1ccccc1[O-] ZINC000129587974 370995080 /nfs/dbraw/zinc/99/50/80/370995080.db2.gz YSOTVAPVWVUGSG-JSJZUPIVSA-N -1 3 258.321 3.220 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000118227148 370608539 /nfs/dbraw/zinc/60/85/39/370608539.db2.gz QLISEUNRJHSDTK-UHFFFAOYSA-N -1 3 274.364 3.103 20 30 CGEDHM C=CCCCCCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000150879751 371543909 /nfs/dbraw/zinc/54/39/09/371543909.db2.gz XNCOXSUDZIRHQD-UHFFFAOYSA-N -1 3 291.420 3.163 20 30 CGEDHM C=CCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000154219588 371828786 /nfs/dbraw/zinc/82/87/86/371828786.db2.gz NWVJBVSMYFDQMD-UHFFFAOYSA-N -1 3 297.354 3.229 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@](C)(CC)c1nc(C)cs1 ZINC000293331705 372357397 /nfs/dbraw/zinc/35/73/97/372357397.db2.gz LRASYIIFKJLLDT-GFCCVEGCSA-N -1 3 288.363 3.404 20 30 CGEDHM CSc1c(F)cccc1C([O-])=C(C#N)c1ccccn1 ZINC000435769957 372805391 /nfs/dbraw/zinc/80/53/91/372805391.db2.gz MNDMZYOMMSXCNW-LLVKDONJSA-N -1 3 286.331 3.433 20 30 CGEDHM C=CCOc1cccnc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436845291 372840159 /nfs/dbraw/zinc/84/01/59/372840159.db2.gz JDSQDYKYAMYYJB-UHFFFAOYSA-N -1 3 295.298 3.069 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(CC)cc1[O-] ZINC000436818722 372841550 /nfs/dbraw/zinc/84/15/50/372841550.db2.gz BIDIROOHHHRDPQ-ZDUSSCGKSA-N -1 3 259.349 3.135 20 30 CGEDHM C=CCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000296009011 372993817 /nfs/dbraw/zinc/99/38/17/372993817.db2.gz KHSQNRWUBOSCRS-UHFFFAOYSA-N -1 3 284.153 3.368 20 30 CGEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1Cl ZINC000179547986 373886051 /nfs/dbraw/zinc/88/60/51/373886051.db2.gz WBTZPACNKZGCQF-CYBMUJFWSA-N -1 3 286.718 3.040 20 30 CGEDHM N#CC1(c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)CC1 ZINC000180880997 374054373 /nfs/dbraw/zinc/05/43/73/374054373.db2.gz IRTDJOLFXIVEOS-UHFFFAOYSA-N -1 3 296.301 3.339 20 30 CGEDHM C=CC[C@H](CC)NC(=O)c1cc([O-])cc(Br)c1 ZINC000529259574 375920529 /nfs/dbraw/zinc/92/05/29/375920529.db2.gz XOOFQMMMOJYNCV-NSHDSACASA-N -1 3 298.180 3.239 20 30 CGEDHM CCc1cccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1[O-] ZINC000538745765 376268074 /nfs/dbraw/zinc/26/80/74/376268074.db2.gz XZMHWLYVIRCHHR-YVEFUNNKSA-N -1 3 286.375 3.157 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000539815962 376333200 /nfs/dbraw/zinc/33/32/00/376333200.db2.gz AGOBTKDRLBOEQU-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)ccn1 ZINC000342389093 377645633 /nfs/dbraw/zinc/64/56/33/377645633.db2.gz ODPWTHRQWMYYKJ-MRXNPFEDSA-N -1 3 287.322 3.428 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2csc(Cl)c2)nc(C)n1 ZINC000342696075 377741059 /nfs/dbraw/zinc/74/10/59/377741059.db2.gz AEPBRTOMJPREGH-SNVBAGLBSA-N -1 3 291.763 3.298 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)[C@@H](C)c2ccccc2)c1[O-] ZINC000267100900 378032259 /nfs/dbraw/zinc/03/22/59/378032259.db2.gz UCFWLARNFMGWLX-CAVOBDPNSA-N -1 3 298.386 3.199 20 30 CGEDHM C=CCN(C(=O)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000641896890 380120654 /nfs/dbraw/zinc/12/06/54/380120654.db2.gz NDNAWHFYLLALJF-UHFFFAOYSA-N -1 3 283.327 3.234 20 30 CGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000360231376 381490662 /nfs/dbraw/zinc/49/06/62/381490662.db2.gz SDRBVUPLHGZXGF-SSDOTTSWSA-N -1 3 299.339 3.010 20 30 CGEDHM Cc1csc([N-]C(=O)c2cc(C(C)C)on2)c1C#N ZINC000288771031 197162040 /nfs/dbraw/zinc/16/20/40/197162040.db2.gz JNKKAAWPBHRHPD-UHFFFAOYSA-N -1 3 275.333 3.292 20 30 CGEDHM Cc1ccc(C(=O)Nc2cccc(C#N)c2)c([O-])c1C ZINC000436752767 533612141 /nfs/dbraw/zinc/61/21/41/533612141.db2.gz BYZHYMTZOALICL-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM CCCOc1ccc(CN(CCC#N)CC2CC2)c([O-])c1 ZINC000093091500 392234446 /nfs/dbraw/zinc/23/44/46/392234446.db2.gz SHWHGAULIVAJHA-UHFFFAOYSA-N -1 3 288.391 3.307 20 30 CGEDHM Cc1cc(F)cc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000134806577 392468148 /nfs/dbraw/zinc/46/81/48/392468148.db2.gz QFUSXVSZKSAEFL-ZDUSSCGKSA-N -1 3 254.264 3.019 20 30 CGEDHM C=CCOc1cccc(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000181922135 392738158 /nfs/dbraw/zinc/73/81/58/392738158.db2.gz BILHUYMTGNOXSI-VOTSOKGWSA-N -1 3 296.326 3.004 20 30 CGEDHM N#CCc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000334338499 392720863 /nfs/dbraw/zinc/72/08/63/392720863.db2.gz YNDZQGBJFFPYMF-UHFFFAOYSA-N -1 3 292.338 3.051 20 30 CGEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000451800563 394047943 /nfs/dbraw/zinc/04/79/43/394047943.db2.gz DGHRZTFXDJJBSI-UHFFFAOYSA-N -1 3 291.775 3.032 20 30 CGEDHM C[C@H](C#N)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000021262187 171300348 /nfs/dbraw/zinc/30/03/48/171300348.db2.gz SAOMFQLQSIKDHB-MRVPVSSYSA-N -1 3 294.767 3.041 20 30 CGEDHM C=CC[C@@H]1CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000656759747 419211088 /nfs/dbraw/zinc/21/10/88/419211088.db2.gz KTTHNHKULVLQCE-LLVKDONJSA-N -1 3 265.378 3.234 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/C[C@@H]1CCOC1 ZINC000041701611 260184396 /nfs/dbraw/zinc/18/43/96/260184396.db2.gz VRMHZNMTABZUTQ-VAKHEIKFSA-N -1 3 255.317 3.001 20 30 CGEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc(C)c1[O-] ZINC000151935817 261057403 /nfs/dbraw/zinc/05/74/03/261057403.db2.gz FHSSOAFUKWNENS-UHFFFAOYSA-N -1 3 288.391 3.493 20 30 CGEDHM CC(=O)c1ccc(C(=O)NCC2(C)CCCC2)cc1[O-] ZINC000331305101 264201179 /nfs/dbraw/zinc/20/11/79/264201179.db2.gz ASQXNCUFRJSGLU-UHFFFAOYSA-N -1 3 275.348 3.480 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000357664528 266342141 /nfs/dbraw/zinc/34/21/41/266342141.db2.gz UJSGSJUMNLOPBI-CYBMUJFWSA-N -1 3 290.326 3.065 20 30 CGEDHM COc1cc(C)cnc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000330209571 533696676 /nfs/dbraw/zinc/69/66/76/533696676.db2.gz HRNNCJMDMFRMPM-UHFFFAOYSA-N -1 3 287.319 3.209 20 30 CGEDHM CCc1c(C)sc([N-]C(=O)c2ccsn2)c1C#N ZINC000572963336 322363438 /nfs/dbraw/zinc/36/34/38/322363438.db2.gz OUJNALCIJZSYSR-UHFFFAOYSA-N -1 3 277.374 3.199 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000293092933 328543143 /nfs/dbraw/zinc/54/31/43/328543143.db2.gz GGYCHGXQLBHRKQ-UHFFFAOYSA-N -1 3 269.266 3.142 20 30 CGEDHM C=CCCC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000562321993 327470019 /nfs/dbraw/zinc/47/00/19/327470019.db2.gz NNBJHJHKCLGSIU-UHFFFAOYSA-N -1 3 281.319 3.006 20 30 CGEDHM C=C(C)CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419477304 329735764 /nfs/dbraw/zinc/73/57/64/329735764.db2.gz PSKUSODFUZYPPC-UHFFFAOYSA-N -1 3 250.367 3.259 20 30 CGEDHM N#CC1(CSCc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000419608370 329742583 /nfs/dbraw/zinc/74/25/83/329742583.db2.gz VQTFGOKSOQWMKR-UHFFFAOYSA-N -1 3 297.383 3.386 20 30 CGEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1[O-] ZINC000119711938 330378925 /nfs/dbraw/zinc/37/89/25/330378925.db2.gz UEUXJPICBCRGSM-UHFFFAOYSA-N -1 3 297.354 3.229 20 30 CGEDHM C=C(CNC(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000436732040 330683788 /nfs/dbraw/zinc/68/37/88/330683788.db2.gz BRAMQQVIQHPFEY-UHFFFAOYSA-N -1 3 267.328 3.144 20 30 CGEDHM C=CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436746947 330684086 /nfs/dbraw/zinc/68/40/86/330684086.db2.gz IQANHBVJXMJONI-UHFFFAOYSA-N -1 3 269.300 3.100 20 30 CGEDHM C=C(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000451805235 331042916 /nfs/dbraw/zinc/04/29/16/331042916.db2.gz XELLEJQKQBHDAS-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM C#C[C@@H](C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000491253120 332174742 /nfs/dbraw/zinc/17/47/42/332174742.db2.gz LXWKJFDLQUBYQC-CYBMUJFWSA-N -1 3 295.338 3.278 20 30 CGEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc([O-])cc(F)c1 ZINC000184591816 333130363 /nfs/dbraw/zinc/13/03/63/333130363.db2.gz JUVSNYNJHQDSNL-MRXNPFEDSA-N -1 3 298.317 3.284 20 30 CGEDHM C=CCN(CCc1ccco1)C(=O)c1cccc(CC)c1[O-] ZINC000543703315 333889184 /nfs/dbraw/zinc/88/91/84/333889184.db2.gz XSRAEGWBLFSKEN-UHFFFAOYSA-N -1 3 299.370 3.419 20 30 CGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000546061967 334015051 /nfs/dbraw/zinc/01/50/51/334015051.db2.gz XAIINOZYUUSZLL-NSHDSACASA-N -1 3 291.775 3.112 20 30 CGEDHM C=C[C@@H](CC(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000552986226 334354523 /nfs/dbraw/zinc/35/45/23/334354523.db2.gz RRRGRQBNTVJSRN-AWEZNQCLSA-N -1 3 291.354 3.055 20 30 CGEDHM C=CCCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CC1 ZINC000565023464 334534941 /nfs/dbraw/zinc/53/49/41/334534941.db2.gz LIEFIJAIWSETFR-UHFFFAOYSA-N -1 3 273.332 3.280 20 30 CGEDHM CCC(CC)c1cc(C(=O)[N-]c2cc(C#N)ccn2)on1 ZINC000436008036 528877047 /nfs/dbraw/zinc/87/70/47/528877047.db2.gz CYGSJXDJMKSMFT-UHFFFAOYSA-N -1 3 284.319 3.097 20 30 CGEDHM CC(N=Nc1nncc2ccccc21)c1ccc([O-])c(F)c1 ZINC000728426957 571804932 /nfs/dbraw/zinc/80/49/32/571804932.db2.gz FPSUJBBIWVSVKK-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM O=C(/C=C/c1nccn1CC(F)(F)F)c1cccc([O-])c1 ZINC000728696276 571816232 /nfs/dbraw/zinc/81/62/32/571816232.db2.gz PCMRJVDTNRROBL-SNAWJCMRSA-N -1 3 296.248 3.047 20 30 CGEDHM Cc1cc(C)cc(NN=Cc2nc(C)ccc2[O-])c1 ZINC000728779585 571820646 /nfs/dbraw/zinc/82/06/46/571820646.db2.gz ONOWBNPJVLTRMN-UHFFFAOYSA-N -1 3 255.321 3.158 20 30 CGEDHM C=CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000750817663 572328977 /nfs/dbraw/zinc/32/89/77/572328977.db2.gz SDFOXRNUYLSMMC-UHFFFAOYSA-N -1 3 265.328 3.130 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N\Cc1cocn1 ZINC000730732507 572372164 /nfs/dbraw/zinc/37/21/64/572372164.db2.gz JYQRKKMQCACPBC-PXNMLYILSA-N -1 3 252.273 3.153 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000741465083 572500619 /nfs/dbraw/zinc/50/06/19/572500619.db2.gz SVIUXPJYMCJAHX-PVGMQNRKSA-N -1 3 281.355 3.451 20 30 CGEDHM CC[C@H](/N=C/c1c([O-])cccc1OC)c1ccncc1 ZINC000741466045 572500826 /nfs/dbraw/zinc/50/08/26/572500826.db2.gz BVPPOQSDURUIJI-BGARDKSCSA-N -1 3 270.332 3.366 20 30 CGEDHM Cc1cc([O-])c(C=NNc2cccc(C#N)c2)cc1C ZINC000741761808 572523145 /nfs/dbraw/zinc/52/31/45/572523145.db2.gz CGPLVAQOWRWZAZ-UHFFFAOYSA-N -1 3 265.316 3.327 20 30 CGEDHM COc1cc(/C=C2\Oc3ccccc3C2=O)cc(OC)c1[O-] ZINC000742435711 572582436 /nfs/dbraw/zinc/58/24/36/572582436.db2.gz CUAZFPPQWBQEFF-DHDCSXOGSA-N -1 3 298.294 3.026 20 30 CGEDHM Cc1nc2cc(N=Cc3cccc([O-])c3O)ccc2n1C ZINC000743045318 572635557 /nfs/dbraw/zinc/63/55/57/572635557.db2.gz FTKGXOMBKWYVGM-UHFFFAOYSA-N -1 3 281.315 3.044 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000735208075 572708947 /nfs/dbraw/zinc/70/89/47/572708947.db2.gz WGXILSLOUOZNBO-LFAOLKIESA-N -1 3 284.359 3.253 20 30 CGEDHM C=CCCCSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735413222 572717464 /nfs/dbraw/zinc/71/74/64/572717464.db2.gz QIHJONGPGNBJHQ-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM C=CCCCSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735413222 572717465 /nfs/dbraw/zinc/71/74/65/572717465.db2.gz QIHJONGPGNBJHQ-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM C=CCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735412486 572717907 /nfs/dbraw/zinc/71/79/07/572717907.db2.gz CYDQTSVWBSSVLU-UHFFFAOYSA-N -1 3 297.284 3.264 20 30 CGEDHM C=CCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735412486 572717911 /nfs/dbraw/zinc/71/79/11/572717911.db2.gz CYDQTSVWBSSVLU-UHFFFAOYSA-N -1 3 297.284 3.264 20 30 CGEDHM C=CCCCCCN(C)Cc1cc(C(=O)[O-])co1 ZINC000736097420 572768666 /nfs/dbraw/zinc/76/86/66/572768666.db2.gz KZIFXBAQEBHMOM-UHFFFAOYSA-N -1 3 251.326 3.156 20 30 CGEDHM [O-]c1ccc2ccccc2c1C=NOCc1cccnc1 ZINC000746589096 572883454 /nfs/dbraw/zinc/88/34/54/572883454.db2.gz ZNJZDTGMYIEANJ-UHFFFAOYSA-N -1 3 278.311 3.491 20 30 CGEDHM C[C@@H](Cc1ccncc1)/N=C/c1cc(Cl)ccc1[O-] ZINC000749844140 573046474 /nfs/dbraw/zinc/04/64/74/573046474.db2.gz HVIBLGZTBLEYAI-HPAYWCODSA-N -1 3 274.751 3.491 20 30 CGEDHM C[C@H]1CCCCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833611044 604610193 /nfs/dbraw/zinc/61/01/93/604610193.db2.gz HQJONXIBZWQKKD-LBPRGKRZSA-N -1 3 272.348 3.021 20 30 CGEDHM C[C@@H]1CCC[C@@H](CN=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824927551 608533623 /nfs/dbraw/zinc/53/36/23/608533623.db2.gz PNBYHBRFAZXJTH-VXGBXAGGSA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@@H]1CCC[C@@H](CN=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824927551 608533624 /nfs/dbraw/zinc/53/36/24/608533624.db2.gz PNBYHBRFAZXJTH-VXGBXAGGSA-N -1 3 284.367 3.091 20 30 CGEDHM C=CCCC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000823893932 608588307 /nfs/dbraw/zinc/58/83/07/608588307.db2.gz BRXXSQWOBKHPEP-JTQLQIEISA-N -1 3 275.331 3.163 20 30 CGEDHM C=CCCC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000823893932 608588309 /nfs/dbraw/zinc/58/83/09/608588309.db2.gz BRXXSQWOBKHPEP-JTQLQIEISA-N -1 3 275.331 3.163 20 30 CGEDHM C=CC[C@H]1CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000890557066 617641104 /nfs/dbraw/zinc/64/11/04/617641104.db2.gz RIZZVLVCEOLMTB-ZDUSSCGKSA-N -1 3 259.349 3.306 20 30 CGEDHM CCc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000255542447 618661026 /nfs/dbraw/zinc/66/10/26/618661026.db2.gz GWUJDTCXGBAPLH-UHFFFAOYSA-N -1 3 257.289 3.116 20 30 CGEDHM N#CCCN(Cc1cc(Cl)ccc1[O-])CC1CC1 ZINC000093091385 619165556 /nfs/dbraw/zinc/16/55/56/619165556.db2.gz OIJLECNMIBGSSK-UHFFFAOYSA-N -1 3 264.756 3.171 20 30 CGEDHM CC(=NOCC1CC1)c1cc(Br)ccc1[O-] ZINC000814243967 619418477 /nfs/dbraw/zinc/41/84/77/619418477.db2.gz ACFURHJSBHLEPX-UHFFFAOYSA-N -1 3 284.153 3.305 20 30 CGEDHM C=C[C@H](CC(=O)[N-]OC[C@H](C)CC)c1ccccc1 ZINC000794863291 619777448 /nfs/dbraw/zinc/77/74/48/619777448.db2.gz HNXIRIIVQKYFMT-ZIAGYGMSSA-N -1 3 261.365 3.440 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CC1(CF)CCOCC1 ZINC000840711032 620128798 /nfs/dbraw/zinc/12/87/98/620128798.db2.gz WCKBVVJGHTWBCY-IUXPMGMMSA-N -1 3 285.746 3.231 20 30 CGEDHM COc1cccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000008322724 620372532 /nfs/dbraw/zinc/37/25/32/620372532.db2.gz YQZRVIUDONPYEX-SOFGYWHQSA-N -1 3 284.311 3.306 20 30 CGEDHM C[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCCCO1 ZINC000899228120 620627511 /nfs/dbraw/zinc/62/75/11/620627511.db2.gz ZCLFGBIZLLYYAV-BRYYZUPOSA-N -1 3 267.756 3.424 20 30 CGEDHM CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000901311923 620854972 /nfs/dbraw/zinc/85/49/72/620854972.db2.gz SISIABYJXDAAJL-NXEZZACHSA-N -1 3 296.798 3.315 20 30 CGEDHM C[C@@H]1CCCC[C@@H]1OCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372184 620866182 /nfs/dbraw/zinc/86/61/82/620866182.db2.gz UELSTWJGFCBLID-DOMZBBRYSA-N -1 3 295.354 3.139 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000901372167 620866280 /nfs/dbraw/zinc/86/62/80/620866280.db2.gz SUMAEYLAEXGJQQ-LLVKDONJSA-N -1 3 291.297 3.486 20 30 CGEDHM C[C@H]1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CCO1 ZINC000901370989 620866368 /nfs/dbraw/zinc/86/63/68/620866368.db2.gz JZNNXRQCDKWKGV-ZFWWWQNUSA-N -1 3 299.370 3.373 20 30 CGEDHM O=C([C@H]1C[C@H]1C1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901372072 620866510 /nfs/dbraw/zinc/86/65/10/620866510.db2.gz PEVPWIYSJIVZHE-GJZGRUSLSA-N -1 3 277.339 3.370 20 30 CGEDHM C[C@H]1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CCO1 ZINC000901370985 620866696 /nfs/dbraw/zinc/86/66/96/620866696.db2.gz JZNNXRQCDKWKGV-DZGCQCFKSA-N -1 3 299.370 3.373 20 30 CGEDHM C[C@H](NCC1(C#N)CCCC1)c1c([O-])cccc1F ZINC000903109541 621582944 /nfs/dbraw/zinc/58/29/44/621582944.db2.gz QWPVLGVCZJSBPX-NSHDSACASA-N -1 3 262.328 3.266 20 30 CGEDHM O=C(C1CCCC1)N([O-])Cc1ccccc1Cl ZINC000904186823 621883000 /nfs/dbraw/zinc/88/30/00/621883000.db2.gz BWQKNFQTLPBUIZ-UHFFFAOYSA-N -1 3 253.729 3.248 20 30 CGEDHM O=C([C@H]1CCCC(F)(F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904172872 621884514 /nfs/dbraw/zinc/88/45/14/621884514.db2.gz CYPYDLMMYSBNOP-NSHDSACASA-N -1 3 287.281 3.369 20 30 CGEDHM N#CC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCCC1 ZINC000904175000 621885002 /nfs/dbraw/zinc/88/50/02/621885002.db2.gz MLDQZPUSMDYYOB-UHFFFAOYSA-N -1 3 276.311 3.018 20 30 CGEDHM CCCCCCN([O-])C(=O)c1sccc1CC#N ZINC000904206838 621885697 /nfs/dbraw/zinc/88/56/97/621885697.db2.gz KMXAFSLSQOVJSE-UHFFFAOYSA-N -1 3 266.366 3.226 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000904209305 621886168 /nfs/dbraw/zinc/88/61/68/621886168.db2.gz YFJQCUMPQAUVLF-UWVGGRQHSA-N -1 3 267.291 3.373 20 30 CGEDHM CC1CC(C#N)(C(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904196983 621887861 /nfs/dbraw/zinc/88/78/61/621887861.db2.gz MXTMXEKZGFLUFR-UHFFFAOYSA-N -1 3 286.375 3.167 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000904216173 621889616 /nfs/dbraw/zinc/88/96/16/621889616.db2.gz YRRHJMJNJQAIPE-NSHDSACASA-N -1 3 281.327 3.053 20 30 CGEDHM C=C(CC)CN[C@@H](C(=O)[O-])c1ccccc1Br ZINC000905402547 622067277 /nfs/dbraw/zinc/06/72/77/622067277.db2.gz YOTVOOXMHRIEIY-GFCCVEGCSA-N -1 3 298.180 3.131 20 30 CGEDHM COc1ccc(C(C)=NNc2ccc(C#N)cc2)c([O-])c1 ZINC000915962426 624091587 /nfs/dbraw/zinc/09/15/87/624091587.db2.gz RHQVTXGGLOOBAF-UHFFFAOYSA-N -1 3 281.315 3.109 20 30 CGEDHM CC(C)(C)Oc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000873518152 634400115 /nfs/dbraw/zinc/40/01/15/634400115.db2.gz DLFZQJQPXCSBMA-AWEZNQCLSA-N -1 3 295.342 3.144 20 30 CGEDHM Cc1cccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1[O-] ZINC000182040996 624934601 /nfs/dbraw/zinc/93/46/01/624934601.db2.gz RAEGAJHMTUUYGN-LBPRGKRZSA-N -1 3 296.326 3.244 20 30 CGEDHM Cc1cc(Br)c([O-])c(CNCC(C)(C)C#N)c1 ZINC000757907183 626813874 /nfs/dbraw/zinc/81/38/74/626813874.db2.gz SZQZZHBTEBBKFW-UHFFFAOYSA-N -1 3 297.196 3.103 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2ccc(F)cc2Cl)c1O ZINC000255163229 625962554 /nfs/dbraw/zinc/96/25/54/625962554.db2.gz JTJFVMUUYJQDRY-UHFFFAOYSA-N -1 3 281.670 3.347 20 30 CGEDHM C#CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000758005680 626820774 /nfs/dbraw/zinc/82/07/74/626820774.db2.gz IZMDRWDBSLEAPG-INIZCTEOSA-N -1 3 279.339 3.195 20 30 CGEDHM C#CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000758005682 626820955 /nfs/dbraw/zinc/82/09/55/626820955.db2.gz IZMDRWDBSLEAPG-MRXNPFEDSA-N -1 3 279.339 3.195 20 30 CGEDHM CC(C)CN(CCC#N)Cc1c([O-])cccc1Cl ZINC000768155327 627463608 /nfs/dbraw/zinc/46/36/08/627463608.db2.gz YUMZCVJYFXXWOW-UHFFFAOYSA-N -1 3 266.772 3.417 20 30 CGEDHM C[C@@H](C#N)CN(Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000769543634 627564261 /nfs/dbraw/zinc/56/42/61/627564261.db2.gz FEBSYMUEIUFKPY-JTQLQIEISA-N -1 3 264.756 3.170 20 30 CGEDHM Cc1cc(Cl)cc(C=NOCc2cccnc2)c1[O-] ZINC000774587485 628007205 /nfs/dbraw/zinc/00/72/05/628007205.db2.gz SUWRWVDQQFWBQQ-UHFFFAOYSA-N -1 3 276.723 3.300 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1ccc(CO)cc1 ZINC000775629984 628116150 /nfs/dbraw/zinc/11/61/50/628116150.db2.gz IQTAYBJOLCEYGG-VCHYOVAHSA-N -1 3 289.762 3.200 20 30 CGEDHM Cc1cc(Br)c([O-])c(CN(C)C[C@H](C)C#N)c1 ZINC000781902228 628604172 /nfs/dbraw/zinc/60/41/72/628604172.db2.gz ORUGEWLSLNSHIE-SNVBAGLBSA-N -1 3 297.196 3.055 20 30 CGEDHM C#C[C@H](CCC)/N=C\c1cc(Br)ccc1[O-] ZINC000790100716 629183908 /nfs/dbraw/zinc/18/39/08/629183908.db2.gz XWRMGCVAEKDLGG-CDCQXCROSA-N -1 3 280.165 3.376 20 30 CGEDHM C#C[C@@H](CCC)/N=C\c1cc(Br)ccc1[O-] ZINC000790100731 629184129 /nfs/dbraw/zinc/18/41/29/629184129.db2.gz XWRMGCVAEKDLGG-ZENNRRHLSA-N -1 3 280.165 3.376 20 30 CGEDHM [O-]c1ccc(C=NNCc2cccc(Cl)c2Cl)nc1 ZINC000790180214 629189096 /nfs/dbraw/zinc/18/90/96/629189096.db2.gz CDGTVXYFYNHRSN-UHFFFAOYSA-N -1 3 296.157 3.218 20 30 CGEDHM CC(=NNc1nccn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000790303877 629202540 /nfs/dbraw/zinc/20/25/40/629202540.db2.gz YVMBWTCEVZZSIV-UHFFFAOYSA-N -1 3 299.161 3.269 20 30 CGEDHM C#CCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792218899 629350809 /nfs/dbraw/zinc/35/08/09/629350809.db2.gz AMDXGLXVVCYGSV-UHFFFAOYSA-N -1 3 267.328 3.079 20 30 CGEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000792530381 629363792 /nfs/dbraw/zinc/36/37/92/629363792.db2.gz HYRYGYZRPNCJTI-UHFFFAOYSA-N -1 3 297.354 3.316 20 30 CGEDHM CC1(CNN=Cc2ccc([O-])c(F)c2)CCCC1 ZINC000793088895 629410128 /nfs/dbraw/zinc/41/01/28/629410128.db2.gz ARYFYKOIZNXDBA-UHFFFAOYSA-N -1 3 250.317 3.035 20 30 CGEDHM CC(=NN[C@@H](C)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000793112134 629412190 /nfs/dbraw/zinc/41/21/90/629412190.db2.gz QDHOWJYEVLMNPO-JTQLQIEISA-N -1 3 252.333 3.280 20 30 CGEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cc2sccc2c([O-])c1 ZINC000794160907 629518664 /nfs/dbraw/zinc/51/86/64/629518664.db2.gz LMPQLLBALLDWHW-OAHLLOKOSA-N -1 3 286.356 3.029 20 30 CGEDHM [O-]c1ccc(F)c(C=NNc2ccnc3ccccc32)c1F ZINC000794507335 629548259 /nfs/dbraw/zinc/54/82/59/629548259.db2.gz ISDOFJDXYQMZJP-UHFFFAOYSA-N -1 3 299.280 3.087 20 30 CGEDHM O=C1c2ccccc2C(=O)C1=Cc1c(F)ccc([O-])c1F ZINC000794926213 629600595 /nfs/dbraw/zinc/60/05/95/629600595.db2.gz JTSRYABNHXFVAF-UHFFFAOYSA-N -1 3 286.233 3.133 20 30 CGEDHM O=C1c2ccccc2C/C1=C/c1c(F)ccc([O-])c1F ZINC000794925817 629600846 /nfs/dbraw/zinc/60/08/46/629600846.db2.gz DLNBLGQGMYKFLS-NTMALXAHSA-N -1 3 272.250 3.493 20 30 CGEDHM O=C1c2ccc(F)cc2O/C1=C/c1c(F)ccc([O-])c1F ZINC000794942523 629603969 /nfs/dbraw/zinc/60/39/69/629603969.db2.gz BLZAIKKGTRPUIP-AWNIVKPZSA-N -1 3 292.212 3.426 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=NNc1cccc(F)n1 ZINC000795008061 629621317 /nfs/dbraw/zinc/62/13/17/629621317.db2.gz UHHXIPGOHDJMRO-UHFFFAOYSA-N -1 3 265.675 3.026 20 30 CGEDHM COc1cc(CN=Nc2cccc(F)n2)cc(Cl)c1[O-] ZINC000795010230 629622411 /nfs/dbraw/zinc/62/24/11/629622411.db2.gz YPNBPYRVXFVQTG-UHFFFAOYSA-N -1 3 295.701 3.034 20 30 CGEDHM C=C(C)CCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000803456015 630480479 /nfs/dbraw/zinc/48/04/79/630480479.db2.gz DCBAYBBPQNLELB-UHFFFAOYSA-N -1 3 266.312 3.363 20 30 CGEDHM CC(=NOC[C@@H]1CCOC1)c1cc(Cl)cc(C)c1[O-] ZINC000807984026 630611488 /nfs/dbraw/zinc/61/14/88/630611488.db2.gz FQKXZVSGMGCSAB-LLVKDONJSA-N -1 3 283.755 3.131 20 30 CGEDHM C=C(C)CNN=C(C)c1ccc2ccccc2c1[O-] ZINC000811651413 631098117 /nfs/dbraw/zinc/09/81/17/631098117.db2.gz WKFSQHRYLBTRQL-UHFFFAOYSA-N -1 3 254.333 3.435 20 30 CGEDHM C=CCO[N-]C(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000837045153 634846861 /nfs/dbraw/zinc/84/68/61/634846861.db2.gz XZVXXKRIABQBJS-UHFFFAOYSA-N -1 3 283.755 3.041 20 30 CGEDHM Cc1cc(=O)[n-]c(CN[C@@H](CCCC#N)c2ccccc2)n1 ZINC000814659485 631617594 /nfs/dbraw/zinc/61/75/94/631617594.db2.gz OGWOVRIJAQVTJT-HNNXBMFYSA-N -1 3 296.374 3.015 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccccc2C#N)ccc1[O-] ZINC000120818247 632955605 /nfs/dbraw/zinc/95/56/05/632955605.db2.gz FTTBRVAPYVPLFN-SOFGYWHQSA-N -1 3 279.295 3.169 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccc([O-])c(F)c2)ccc1O ZINC000120817779 632956650 /nfs/dbraw/zinc/95/66/50/632956650.db2.gz LAOSQHCIQYSEFI-GORDUTHDSA-N -1 3 288.274 3.142 20 30 CGEDHM Cc1cc([O-])c(CN(C[C@H](C)C#N)C2CC2)cc1Cl ZINC000824912884 633304993 /nfs/dbraw/zinc/30/49/93/633304993.db2.gz CMVUTBAIEVPBGD-SNVBAGLBSA-N -1 3 278.783 3.478 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871597491 633799682 /nfs/dbraw/zinc/79/96/82/633799682.db2.gz RFVFBGUEUOLDTQ-PVJSPINKSA-N -1 3 279.767 3.422 20 30 CGEDHM CC(=NNC[C@H]1CCCC1(F)F)c1ccc([O-])cc1F ZINC000872407793 634135408 /nfs/dbraw/zinc/13/54/08/634135408.db2.gz CUPWRAWECQKJGY-SNVBAGLBSA-N -1 3 286.297 3.280 20 30 CGEDHM C=CCO[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC000837043881 634846341 /nfs/dbraw/zinc/84/63/41/634846341.db2.gz GSKRYFLMQGAOGQ-UHFFFAOYSA-N -1 3 285.796 3.446 20 30 CGEDHM CC(C)(C)C#CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000837487566 634918628 /nfs/dbraw/zinc/91/86/28/634918628.db2.gz KLXOHBFEZDZUSU-UHFFFAOYSA-N -1 3 251.713 3.034 20 30 CGEDHM N#CC1(COC(=O)c2cc(F)cc(Cl)c2[O-])CCC1 ZINC000837556436 634933635 /nfs/dbraw/zinc/93/36/35/634933635.db2.gz HWMKDMUHAPJXCG-UHFFFAOYSA-N -1 3 283.686 3.035 20 30 CGEDHM N#CCC[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843868952 635790647 /nfs/dbraw/zinc/79/06/47/635790647.db2.gz PDPJAFJQQAJHJA-UHFFFAOYSA-N -1 3 293.100 3.115 20 30 CGEDHM C=C(C)CON=C(C)c1cc(Br)ccc1[O-] ZINC000844614214 635942022 /nfs/dbraw/zinc/94/20/22/635942022.db2.gz BQQNRHBUPWRUES-UHFFFAOYSA-N -1 3 284.153 3.471 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCSc1ccc(OC)cc1 ZINC000846535062 636193786 /nfs/dbraw/zinc/19/37/86/636193786.db2.gz ODLSQFMKFBYYHS-UHFFFAOYSA-N -1 3 295.404 3.191 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1ccc(Cl)cc1Cl ZINC000856028186 638284979 /nfs/dbraw/zinc/28/49/79/638284979.db2.gz NJBVUWGRWJCPMP-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM CC(C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1Cl ZINC000860469103 639354811 /nfs/dbraw/zinc/35/48/11/639354811.db2.gz XFCRMMWHMXEMII-JTQLQIEISA-N -1 3 288.738 3.002 20 30 CGEDHM C=CCC1(CNC(=O)c2c([O-])cccc2OC)CCCC1 ZINC001157767653 805867054 /nfs/dbraw/zinc/86/70/54/805867054.db2.gz XZFWRSXQQFEXQZ-UHFFFAOYSA-N -1 3 289.375 3.267 20 30 CGEDHM O=C(c1ccnc(Cl)c1F)N([O-])Cc1ccc(F)cc1 ZINC001161842775 806469708 /nfs/dbraw/zinc/46/97/08/806469708.db2.gz OLGKSBPKAGVGEL-UHFFFAOYSA-N -1 3 298.676 3.045 20 30 CGEDHM C#C[C@@H]([N-]c1nc([C@@H](C)OC)ns1)c1ccccc1 ZINC001118186397 802535377 /nfs/dbraw/zinc/53/53/77/802535377.db2.gz FFZPIKSUIPJHSR-ZYHUDNBSSA-N -1 3 273.361 3.032 20 30 CGEDHM Cc1nc2cc(-c3ccc(C=N[O-])c(F)c3)ccc2[nH]1 ZINC001243966944 803108488 /nfs/dbraw/zinc/10/84/88/803108488.db2.gz QBMHLTSRKWWNCX-CAOOACKPSA-N -1 3 269.279 3.486 20 30 CGEDHM Cc1nn(C)c2cc(-c3cccc(/C=N/[O-])c3)ccc12 ZINC001244233120 803253429 /nfs/dbraw/zinc/25/34/29/803253429.db2.gz ZNAGDAFLPSZZDG-LICLKQGHSA-N -1 3 265.316 3.357 20 30 CGEDHM COc1cc(C)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001211729467 814937776 /nfs/dbraw/zinc/93/77/76/814937776.db2.gz DKWKKHIZRKJLAR-UHFFFAOYSA-N -1 3 254.289 3.325 20 30 CGEDHM Cc1ccc(-c2cc(/C=N/[O-])ccc2F)c(CO)c1 ZINC001244490168 803400043 /nfs/dbraw/zinc/40/00/43/803400043.db2.gz KNMUEJJQNXYETK-CAOOACKPSA-N -1 3 259.280 3.102 20 30 CGEDHM Cc1cc(CO)cc(C)c1-c1cc(/C=N/[O-])ccc1F ZINC001244694457 803500008 /nfs/dbraw/zinc/50/00/08/803500008.db2.gz REORDOWTYWSUGV-QGMBQPNBSA-N -1 3 273.307 3.410 20 30 CGEDHM Cc1cc(CO)cc(C)c1-c1ccc(/C=N/[O-])c(F)c1 ZINC001244693500 803500270 /nfs/dbraw/zinc/50/02/70/803500270.db2.gz OFBZHGRMLRUVLG-QGMBQPNBSA-N -1 3 273.307 3.410 20 30 CGEDHM COCOc1ccc(-c2ccccc2C=N[O-])c(OC)c1 ZINC001244923344 803578012 /nfs/dbraw/zinc/57/80/12/803578012.db2.gz BEBBXJHFOMJYLN-UHFFFAOYSA-N -1 3 287.315 3.153 20 30 CGEDHM CCCOc1ccc(-c2cccc(/C=N/[O-])c2)cn1 ZINC001245233459 803672211 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807447295 /nfs/dbraw/zinc/44/72/95/807447295.db2.gz TYVGBAMLSNKUKB-GZTJUZNOSA-N -1 3 288.347 3.298 20 30 CGEDHM CN(C)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001174963719 809219039 /nfs/dbraw/zinc/21/90/39/809219039.db2.gz NQEHNBUBSYCYRK-UHFFFAOYSA-N -1 3 253.305 3.073 20 30 CGEDHM N#CCc1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213384546 815274596 /nfs/dbraw/zinc/27/45/96/815274596.db2.gz RXLKFXOYUXCJQY-UHFFFAOYSA-N -1 3 260.243 3.480 20 30 CGEDHM COc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1F ZINC001175120535 809279490 /nfs/dbraw/zinc/27/94/90/809279490.db2.gz CTDVZJUWZYSBFO-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2c(F)cc(F)cc2F)c1 ZINC001175145144 809288013 /nfs/dbraw/zinc/28/80/13/809288013.db2.gz NVNSIIVLPURYQG-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cccn(C(C)(C)C)c1=O ZINC001184315152 810190762 /nfs/dbraw/zinc/19/07/62/810190762.db2.gz ROYZFCHFWCQASJ-UHFFFAOYSA-N -1 3 294.395 3.015 20 30 CGEDHM CCc1ccccc1NC(=O)[N-]c1oc(C)nc1C#N ZINC001187612384 810409167 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/nfs/dbraw/zinc/90/88/01/811908801.db2.gz GCVODHCEFFWTPL-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2ccc(Cl)cc2)c1C#N ZINC001202364589 812076682 /nfs/dbraw/zinc/07/66/82/812076682.db2.gz KIGFHKAVTJMSBU-UHFFFAOYSA-N -1 3 276.683 3.152 20 30 CGEDHM [O-]N=Cc1ccccc1-c1ccc(F)c2n[nH]cc21 ZINC001205371822 812974688 /nfs/dbraw/zinc/97/46/88/812974688.db2.gz YWVTVVJAWAKLAX-UHFFFAOYSA-N -1 3 255.252 3.177 20 30 CGEDHM N#Cc1cc(Nc2ccc3nc[nH]c3c2)c([O-])cc1F ZINC001209850634 814169567 /nfs/dbraw/zinc/16/95/67/814169567.db2.gz DAKOVIUBRLUPLE-UHFFFAOYSA-N -1 3 268.251 3.023 20 30 CGEDHM COc1cccc(Nc2ccc(F)cc2[O-])c1C#N ZINC001210019196 814248555 /nfs/dbraw/zinc/24/85/55/814248555.db2.gz BSQFWMABVFBVDK-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1cc2cccnc2nc1-c1cc([O-])ccc1F ZINC001242761996 823124911 /nfs/dbraw/zinc/12/49/11/823124911.db2.gz JJBDWRVQQIEWLT-UHFFFAOYSA-N -1 3 265.247 3.013 20 30 CGEDHM N#Cc1cc(F)c(Nc2ccc(F)c([O-])c2)cc1F ZINC001211216954 814852682 /nfs/dbraw/zinc/85/26/82/814852682.db2.gz AHOCEOXTWIENHZ-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM CC(C)Oc1cc(Nc2cc(C#N)ccc2[O-])ccn1 ZINC001215767770 815583340 /nfs/dbraw/zinc/58/33/40/815583340.db2.gz AWFGBNYTIHMSBN-UHFFFAOYSA-N -1 3 269.304 3.190 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2c(O)cccc2Cl)c1 ZINC001215987079 815652324 /nfs/dbraw/zinc/65/23/24/815652324.db2.gz DLNJTAOCXCSVPV-UHFFFAOYSA-N -1 3 260.680 3.366 20 30 CGEDHM Cc1c(Cl)c(Nc2cc(C#N)ccc2[O-])ccc1CO ZINC001216328259 815786274 /nfs/dbraw/zinc/78/62/74/815786274.db2.gz NWFJQMTXEBEEHS-UHFFFAOYSA-N -1 3 288.734 3.462 20 30 CGEDHM COC(=O)c1ccc(-c2ccccc2C=N[O-])cc1C ZINC001243022427 823215076 /nfs/dbraw/zinc/21/50/76/823215076.db2.gz SASVUCYERQMFQE-UHFFFAOYSA-N -1 3 269.300 3.257 20 30 CGEDHM COC(=O)c1cc(C)cc(-c2cccc(/C=N/[O-])c2)c1 ZINC001243023878 823215486 /nfs/dbraw/zinc/21/54/86/823215486.db2.gz DMUJWAQIMRONDT-LICLKQGHSA-N -1 3 269.300 3.257 20 30 CGEDHM CCOC(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001243043484 823221675 /nfs/dbraw/zinc/22/16/75/823221675.db2.gz YOJNVOMWYRSIGH-UHFFFAOYSA-N -1 3 269.300 3.338 20 30 CGEDHM C#C[C@H](CC(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119225 817278708 /nfs/dbraw/zinc/27/87/08/817278708.db2.gz MCUSKJKTPDZODM-LLVKDONJSA-N -1 3 262.378 3.069 20 30 CGEDHM CC(C)[C@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226256044 817312073 /nfs/dbraw/zinc/31/20/73/817312073.db2.gz OCHHSQUTIVYQAV-FBJMNJBLSA-N -1 3 271.320 3.061 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226341317 817331876 /nfs/dbraw/zinc/33/18/76/817331876.db2.gz RYHNIALBTAIUQS-NSHDSACASA-N -1 3 275.304 3.283 20 30 CGEDHM C=CC[C@@H](Oc1cc(=O)[n-]c(C)n1)c1ccccc1 ZINC001226510829 817381067 /nfs/dbraw/zinc/38/10/67/817381067.db2.gz RBSXXNPFNIUVSL-CYBMUJFWSA-N -1 3 256.305 3.187 20 30 CGEDHM C=CC[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533903 817389058 /nfs/dbraw/zinc/38/90/58/817389058.db2.gz JZEAHXQUWNIPJF-SNVBAGLBSA-N -1 3 260.289 3.150 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H]2CCCc3cccnc32)c1 ZINC001227344661 817628354 /nfs/dbraw/zinc/62/83/54/817628354.db2.gz BZSORJCHKDLODK-CQSZACIVSA-N -1 3 266.300 3.115 20 30 CGEDHM COc1ccccc1OC[C@@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227351875 817630619 /nfs/dbraw/zinc/63/06/19/817630619.db2.gz ZRICMOWHCVEXTM-GFCCVEGCSA-N -1 3 299.326 3.119 20 30 CGEDHM N#C[C@H]1CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC001232788279 818441420 /nfs/dbraw/zinc/44/14/20/818441420.db2.gz LUBRELIRDPMDHR-NSHDSACASA-N -1 3 264.756 3.171 20 30 CGEDHM CN(Cc1ccc(C#N)cc1)Cc1c([O-])ccc(F)c1F ZINC001233334419 818584631 /nfs/dbraw/zinc/58/46/31/818584631.db2.gz GCWPAPHDIWLVQD-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM COc1ccc(CN2CCC(C)(C#N)CC2)c(Cl)c1[O-] ZINC001233401446 818612215 /nfs/dbraw/zinc/61/22/15/818612215.db2.gz ZWLTXASBVVFZMG-UHFFFAOYSA-N -1 3 294.782 3.180 20 30 CGEDHM C=C(C)C(=O)OC[C@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233593648 818653690 /nfs/dbraw/zinc/65/36/90/818653690.db2.gz YAIYOVFVWSNORH-JTQLQIEISA-N -1 3 284.739 3.241 20 30 CGEDHM Cc1cnc(-c2cc([O-])cc(Cl)c2)c(/C=N/O)c1 ZINC001235898867 819209674 /nfs/dbraw/zinc/20/96/74/819209674.db2.gz MZILXMLFWBSCAD-FRKPEAEDSA-N -1 3 262.696 3.224 20 30 CGEDHM N#CCCN(Cc1ccccc1)Cc1ccc(F)c([O-])c1 ZINC001236707012 819576522 /nfs/dbraw/zinc/57/65/22/819576522.db2.gz HAVYUODMWRNDQV-UHFFFAOYSA-N -1 3 284.334 3.447 20 30 CGEDHM COc1ccc(CN2CCC[C@@H](C#N)CC2)c([O-])c1Cl ZINC001236812119 819604629 /nfs/dbraw/zinc/60/46/29/819604629.db2.gz RQKKNVDLXXHKMI-LLVKDONJSA-N -1 3 294.782 3.180 20 30 CGEDHM CO/N=C/c1cc(-c2cccc([O-])c2F)ccc1F ZINC001243545455 823438293 /nfs/dbraw/zinc/43/82/93/823438293.db2.gz ATSCORIQQAGUQJ-CAOOACKPSA-N -1 3 263.243 3.318 20 30 CGEDHM COc1cc(-c2cc(F)ccc2[O-])cc(F)c1C#N ZINC001240698388 821254596 /nfs/dbraw/zinc/25/45/96/821254596.db2.gz YPDBJIQRCRZYPC-UHFFFAOYSA-N -1 3 261.227 3.218 20 30 CGEDHM N#CCCOc1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786291 821327832 /nfs/dbraw/zinc/32/78/32/821327832.db2.gz FDDUNVAKWOYLHP-UHFFFAOYSA-N -1 3 257.264 3.491 20 30 CGEDHM CC(C)Oc1ccc(-c2cccc(/C=N/[O-])c2)cn1 ZINC001240810168 821352078 /nfs/dbraw/zinc/35/20/78/821352078.db2.gz VOAGUVNDYJTAKL-RQZCQDPDSA-N -1 3 256.305 3.344 20 30 CGEDHM C=CCn1ccc2c1ncnc2-c1cc([O-])cc(F)c1 ZINC001241256468 821676932 /nfs/dbraw/zinc/67/69/32/821676932.db2.gz WNSAMYOYOIWAEG-UHFFFAOYSA-N -1 3 269.279 3.129 20 30 CGEDHM N#Cc1ncc(-c2cc([O-])cc(F)c2)cc1C(F)(F)F ZINC001241271397 821689740 /nfs/dbraw/zinc/68/97/40/821689740.db2.gz FLNHCCBUYQHRQR-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3c(c2)OCCN3)c1 ZINC001241460492 821859985 /nfs/dbraw/zinc/85/99/85/821859985.db2.gz SGZLHFDUCDOSPK-GIJQJNRQSA-N -1 3 272.279 3.105 20 30 CGEDHM N#Cc1cc(-c2ccc(F)c(C3OCCO3)c2)ccc1[O-] ZINC001242565028 823035418 /nfs/dbraw/zinc/03/54/18/823035418.db2.gz HTTYPTHCQASJGU-UHFFFAOYSA-N -1 3 285.274 3.115 20 30 CGEDHM N#Cc1cc(-c2ccc3oc(=O)ccc3c2)ccc1[O-] ZINC001242564811 823035827 /nfs/dbraw/zinc/03/58/27/823035827.db2.gz VMPGBRJQGSCKSX-UHFFFAOYSA-N -1 3 263.252 3.037 20 30 CGEDHM C=CCC(C)(C)c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436561362 927450957 /nfs/dbraw/zinc/45/09/57/927450957.db2.gz BDHYTORJCBDBGT-UHFFFAOYSA-N -1 3 288.303 3.025 20 30 CGEDHM CCCCCCCCNC(=O)c1c([O-])cccc1O ZINC000144782691 928096465 /nfs/dbraw/zinc/09/64/65/928096465.db2.gz FVAPHRVOMAVTHR-UHFFFAOYSA-N -1 3 265.353 3.188 20 30 CGEDHM N#CC1CCC(=Nc2c(F)cc([O-])cc2F)CC1 ZINC001212867086 928659422 /nfs/dbraw/zinc/65/94/22/928659422.db2.gz OSWKBYFNVIGYFG-MRVPVSSYSA-N -1 3 250.248 3.290 20 30 CGEDHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1ccc(C#N)cc1 ZINC001446237529 937361922 /nfs/dbraw/zinc/36/19/22/937361922.db2.gz BOLHXDLCHZRLNS-UHFFFAOYSA-N -1 3 298.317 3.319 20 30 CGEDHM CCCCN([O-])C(=O)Cc1coc2c1ccc(F)c2F ZINC001458020484 937448746 /nfs/dbraw/zinc/44/87/46/937448746.db2.gz DPENMNXYZIDAEQ-UHFFFAOYSA-N -1 3 283.274 3.271 20 30 CGEDHM CSC[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001457995419 937448767 /nfs/dbraw/zinc/44/87/67/937448767.db2.gz SWVJPHLXXYLBQG-ZDUSSCGKSA-N -1 3 281.421 3.226 20 30 CGEDHM CCCCN([O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001306897300 932891056 /nfs/dbraw/zinc/89/10/56/932891056.db2.gz HOLYECDPYQTTEP-UHFFFAOYSA-N -1 3 251.370 3.221 20 30 CGEDHM O=C([C@H]1C[C@@H]1C1CC1)N([O-])CCCCc1ccccc1 ZINC001306896448 932891352 /nfs/dbraw/zinc/89/13/52/932891352.db2.gz XLEIPINABJWLIO-CVEARBPZSA-N -1 3 273.376 3.273 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@]12CCO[C@@H]1CCCC2 ZINC001306896819 932891555 /nfs/dbraw/zinc/89/15/55/932891555.db2.gz NFGVHYSKVPZMIC-HIFRSBDPSA-N -1 3 269.385 3.134 20 30 CGEDHM C=CCN(C(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC001466397838 937708741 /nfs/dbraw/zinc/70/87/41/937708741.db2.gz ALEQXQPTPBMLFW-UHFFFAOYSA-N -1 3 273.357 3.398 20 30 CGEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)C1CC1 ZINC001472618706 937778191 /nfs/dbraw/zinc/77/81/91/937778191.db2.gz DXRIHPQMDQEPMP-SNVBAGLBSA-N -1 3 267.756 3.494 20 30 CGEDHM C#CCC(C)(C)C(=O)N([O-])CCCCc1ccccc1 ZINC001472619551 937778550 /nfs/dbraw/zinc/77/85/50/937778550.db2.gz QDSFKACJOGKJIF-UHFFFAOYSA-N -1 3 273.376 3.277 20 30 CGEDHM CC(C)C(C#N)=CNN=c1[nH]c2ccccc2[n-]c1=S ZINC001335347421 936140661 /nfs/dbraw/zinc/14/06/61/936140661.db2.gz QSRVZOFVVZCQDI-JTQLQIEISA-N -1 3 285.376 3.486 20 30 CGEDHM CCc1cccc(C(=O)Nc2cccc(CC#N)c2)c1[O-] ZINC001556643709 938204914 /nfs/dbraw/zinc/20/49/14/938204914.db2.gz RNKJVHAFTJFPIU-UHFFFAOYSA-N -1 3 280.327 3.273 20 30 CGEDHM C=CCCO[N-]C(=O)CC1C2CC3CC(C2)CC1C3 ZINC001557717407 938211528 /nfs/dbraw/zinc/21/15/28/938211528.db2.gz MNQVUBMHQLPAQD-UHFFFAOYSA-N -1 3 263.381 3.073 20 30 CGEDHM COCC1(CC(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001559034043 938218943 /nfs/dbraw/zinc/21/89/43/938218943.db2.gz KFJJZYWJQOGACR-UHFFFAOYSA-N -1 3 291.391 3.044 20 30 CGEDHM C#CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)C1 ZINC001588433654 963265972 /nfs/dbraw/zinc/26/59/72/963265972.db2.gz BLUVQFGQXJTVMW-CYBMUJFWSA-N -1 3 288.391 3.072 20 30 CGEDHM C=CC[C@H]1CCCC[C@H]1Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588558746 963288584 /nfs/dbraw/zinc/28/85/84/963288584.db2.gz CILRBGJLVIIHDD-GXTWGEPZSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@H]1CCCC[C@H]1Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588558746 963288588 /nfs/dbraw/zinc/28/85/88/963288588.db2.gz CILRBGJLVIIHDD-GXTWGEPZSA-N -1 3 298.394 3.117 20 30 CGEDHM C/C=C/C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594686620 987068458 /nfs/dbraw/zinc/06/84/58/987068458.db2.gz ZVPURRPJJPSVLN-BAABZTOOSA-N -1 3 298.386 3.435 20 30 CGEDHM C=C(Cl)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096971052 185144235 /nfs/dbraw/zinc/14/42/35/185144235.db2.gz JOIYXWQQMUQJIG-CQSZACIVSA-N -1 3 281.783 3.126 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(Cl)c2)nc(C)n1 ZINC000041574327 344971688 /nfs/dbraw/zinc/97/16/88/344971688.db2.gz UMQLUMCKDHXTRE-CYBMUJFWSA-N -1 3 285.734 3.237 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)c1 ZINC000041574098 344971856 /nfs/dbraw/zinc/97/18/56/344971856.db2.gz APWVTSGEXCCVHO-OAHLLOKOSA-N -1 3 279.343 3.200 20 30 CGEDHM CC(C)CSCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596175803 347394602 /nfs/dbraw/zinc/39/46/02/347394602.db2.gz UMFQWPAUPGQKCL-UHFFFAOYSA-N -1 3 289.857 3.281 20 30 CGEDHM CC[C@H](C)c1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000600657335 347827210 /nfs/dbraw/zinc/82/72/10/347827210.db2.gz PORSRGBIRUDLFF-FZMZJTMJSA-N -1 3 280.393 3.244 20 30 CGEDHM N#Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)c([O-])c1 ZINC000600785234 347835014 /nfs/dbraw/zinc/83/50/14/347835014.db2.gz PAAXUYWOCYBAQN-INIZCTEOSA-N -1 3 295.338 3.236 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000617041802 348905748 /nfs/dbraw/zinc/90/57/48/348905748.db2.gz JCICIVZHYCPVBK-TZMCWYRMSA-N -1 3 289.375 3.266 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000617779066 349008831 /nfs/dbraw/zinc/00/88/31/349008831.db2.gz ULEHXNHRBJCILP-ZDUSSCGKSA-N -1 3 287.359 3.023 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000617781614 349010884 /nfs/dbraw/zinc/01/08/84/349010884.db2.gz QMNARSLVHGKFFL-ZDUSSCGKSA-N -1 3 259.349 3.129 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1[O-] ZINC000620305678 349354190 /nfs/dbraw/zinc/35/41/90/349354190.db2.gz QHONJBWIHNPDBR-OKILXGFUSA-N -1 3 271.360 3.332 20 30 CGEDHM Cn1cc([N-]c2nc(Cl)c(C#N)s2)c(C2CC2)n1 ZINC000292402758 198274903 /nfs/dbraw/zinc/27/49/03/198274903.db2.gz RVJPNZLSYZMVFD-UHFFFAOYSA-N -1 3 279.756 3.023 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1c(F)cccc1F ZINC000004330598 368542968 /nfs/dbraw/zinc/54/29/68/368542968.db2.gz BFRDDPCJMLVGQA-UHFFFAOYSA-N -1 3 264.256 3.150 20 30 CGEDHM CC(C)c1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000122396580 370904734 /nfs/dbraw/zinc/90/47/34/370904734.db2.gz MWUXWCDBVYXJIK-SNVBAGLBSA-N -1 3 271.345 3.152 20 30 CGEDHM CC[C@H](CC#N)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000054182963 369497744 /nfs/dbraw/zinc/49/77/44/369497744.db2.gz XWOKGBBIXKNLHK-SNVBAGLBSA-N -1 3 273.163 3.481 20 30 CGEDHM C=CCC1(c2nc(-c3ccc([O-])cc3)no2)CCC1 ZINC000436873866 372842970 /nfs/dbraw/zinc/84/29/70/372842970.db2.gz YHGNFJMOGTYBLO-UHFFFAOYSA-N -1 3 256.305 3.440 20 30 CGEDHM Cc1ccc(F)c(C(=O)[N-]c2sccc2C#N)c1F ZINC000334422249 374738090 /nfs/dbraw/zinc/73/80/90/374738090.db2.gz DLOYMSZTTDNRAD-UHFFFAOYSA-N -1 3 278.283 3.459 20 30 CGEDHM Cc1c(C#N)cccc1NCc1cc([O-])cc(F)c1 ZINC000186405258 374845142 /nfs/dbraw/zinc/84/51/42/374845142.db2.gz KJJOKZFTWBJNCT-UHFFFAOYSA-N -1 3 256.280 3.324 20 30 CGEDHM C=CCN(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC000192986082 375811822 /nfs/dbraw/zinc/81/18/22/375811822.db2.gz TVLOYRPBQFVTDT-UHFFFAOYSA-N -1 3 267.328 3.221 20 30 CGEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(CC)ccc1[O-] ZINC000539841290 376342213 /nfs/dbraw/zinc/34/22/13/376342213.db2.gz SUPXVQVMSDNMOO-UHFFFAOYSA-N -1 3 287.281 3.145 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cnn(C(C)C)c2)ccc1[O-] ZINC000264831323 377995053 /nfs/dbraw/zinc/99/50/53/377995053.db2.gz IQPJIYVKPZFLGI-GQCTYLIASA-N -1 3 270.332 3.374 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000578346609 378060161 /nfs/dbraw/zinc/06/01/61/378060161.db2.gz XYILOEMPUKWRIS-UHFFFAOYSA-N -1 3 298.317 3.400 20 30 CGEDHM Cc1cccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n1 ZINC000345373744 378271485 /nfs/dbraw/zinc/27/14/85/378271485.db2.gz MEWJJGNHNJHWIH-GFCCVEGCSA-N -1 3 290.326 3.065 20 30 CGEDHM C=CCOCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274380705 378822332 /nfs/dbraw/zinc/82/23/32/378822332.db2.gz MVFFDQXOABKLAY-CYBMUJFWSA-N -1 3 289.375 3.215 20 30 CGEDHM C=CC[C@H]1N(C(=O)c2ccc3n[n-]nc3c2)CCCC1(C)C ZINC000277906739 379261958 /nfs/dbraw/zinc/26/19/58/379261958.db2.gz GLUAXRLIGBBLCE-OAHLLOKOSA-N -1 3 298.390 3.165 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1cnn(CCCC)c1C(C)C ZINC000359659754 381360460 /nfs/dbraw/zinc/36/04/60/381360460.db2.gz ALRKGZODFKSAON-UHFFFAOYSA-N -1 3 299.440 3.124 20 30 CGEDHM Cc1cncc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361541301 381792003 /nfs/dbraw/zinc/79/20/03/381792003.db2.gz NYWBIGSLLJFWOF-MRXNPFEDSA-N -1 3 287.322 3.428 20 30 CGEDHM Cc1nc2cc(C([O-])=C(C#N)c3ccccn3)ccc2o1 ZINC000361665740 381862178 /nfs/dbraw/zinc/86/21/78/381862178.db2.gz YROXPSIFYOXCIE-LBPRGKRZSA-N -1 3 277.283 3.021 20 30 CGEDHM COC(=O)c1cnc(SCCC2(C#N)CCCCC2)[n-]1 ZINC000413002807 393015243 /nfs/dbraw/zinc/01/52/43/393015243.db2.gz GVTDNUYYMOCRML-UHFFFAOYSA-N -1 3 293.392 3.153 20 30 CGEDHM C=CC1CCN(C(=O)c2cc(SC)ccc2[O-])CC1 ZINC000668568822 543028641 /nfs/dbraw/zinc/02/86/41/543028641.db2.gz KUPSUEUAAMMZPM-UHFFFAOYSA-N -1 3 277.389 3.152 20 30 CGEDHM C=C(C)CN(C)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000652430585 418966607 /nfs/dbraw/zinc/96/66/07/418966607.db2.gz OWTOWQNPAXIJLC-UHFFFAOYSA-N -1 3 284.359 3.249 20 30 CGEDHM CC1(C)Cc2cccc(C([O-])=C(C#N)c3ccccn3)c2O1 ZINC000654969685 419012232 /nfs/dbraw/zinc/01/22/32/419012232.db2.gz AYBVZBRYGQRCDD-CQSZACIVSA-N -1 3 292.338 3.285 20 30 CGEDHM O=C(C[C@@H]1C=CCCC1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000330336204 228155348 /nfs/dbraw/zinc/15/53/48/228155348.db2.gz ZINJEOONTFIPNI-MRVPVSSYSA-N -1 3 288.273 3.026 20 30 CGEDHM O=C(C[C@@H]1C=CCCC1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000330336204 228155349 /nfs/dbraw/zinc/15/53/49/228155349.db2.gz ZINJEOONTFIPNI-MRVPVSSYSA-N -1 3 288.273 3.026 20 30 CGEDHM O=C(C[C@@H]1C=CCCC1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000330336204 228155351 /nfs/dbraw/zinc/15/53/51/228155351.db2.gz ZINJEOONTFIPNI-MRVPVSSYSA-N -1 3 288.273 3.026 20 30 CGEDHM CC[C@H](CC#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000273836198 263019679 /nfs/dbraw/zinc/01/96/79/263019679.db2.gz GVFHHYNRRYXPDH-LLVKDONJSA-N -1 3 286.709 3.240 20 30 CGEDHM Cc1ocnc1C(=O)[N-]c1ccccc1SCCC#N ZINC000341805147 263354391 /nfs/dbraw/zinc/35/43/91/263354391.db2.gz HGWAQNNDINKCTF-UHFFFAOYSA-N -1 3 287.344 3.241 20 30 CGEDHM Cc1ccc(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)c([O-])c1 ZINC000331224240 264149841 /nfs/dbraw/zinc/14/98/41/264149841.db2.gz BDZAHXCEFKQDBR-SWLSCSKDSA-N -1 3 277.364 3.066 20 30 CGEDHM CCc1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000331236155 264174502 /nfs/dbraw/zinc/17/45/02/264174502.db2.gz MJFDTVGCXMMFFO-CJNGLKHVSA-N -1 3 291.391 3.463 20 30 CGEDHM C=CCN(CCc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000357334076 266277091 /nfs/dbraw/zinc/27/70/91/266277091.db2.gz FEJNHKCKIIJBSM-UHFFFAOYSA-N -1 3 281.355 3.263 20 30 CGEDHM CC1(C)CCCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329986682 278201756 /nfs/dbraw/zinc/20/17/56/278201756.db2.gz SBFAZVUABDTJMK-VIFPVBQESA-N -1 3 254.355 3.122 20 30 CGEDHM CC(C)N(CCC#N)Cc1cc([O-])ccc1Br ZINC000534337537 328049625 /nfs/dbraw/zinc/04/96/25/328049625.db2.gz UPYNSYUSRZTLFG-UHFFFAOYSA-N -1 3 297.196 3.279 20 30 CGEDHM CC(C)(C)c1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000049054921 329634318 /nfs/dbraw/zinc/63/43/18/329634318.db2.gz KNKKFEXOBMKFAI-SNVBAGLBSA-N -1 3 285.372 3.326 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(F)c2C)nc(C)n1 ZINC000422114106 330127704 /nfs/dbraw/zinc/12/77/04/330127704.db2.gz ARIHXFNIILYZSM-ZDUSSCGKSA-N -1 3 283.306 3.031 20 30 CGEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000433368686 330627254 /nfs/dbraw/zinc/62/72/54/330627254.db2.gz YHWJBDCOTLTAJG-CYBMUJFWSA-N -1 3 298.317 3.242 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436737532 330683876 /nfs/dbraw/zinc/68/38/76/330683876.db2.gz JIMBIZJWQNEHJH-UHFFFAOYSA-N -1 3 273.376 3.309 20 30 CGEDHM C=C(C)C[C@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000186419579 333160498 /nfs/dbraw/zinc/16/04/98/333160498.db2.gz RHWPKDCOKSIIDQ-JTQLQIEISA-N -1 3 288.326 3.152 20 30 CGEDHM CCc1cc(C)c(C([O-])=C(C#N)c2ccccn2)o1 ZINC000128698259 333700490 /nfs/dbraw/zinc/70/04/90/333700490.db2.gz SZWDRHBWERSYOZ-LBPRGKRZSA-N -1 3 254.289 3.036 20 30 CGEDHM Cc1ccccc1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000078868652 334141692 /nfs/dbraw/zinc/14/16/92/334141692.db2.gz YMBQRTIZGMXVRI-UHFFFAOYSA-N -1 3 282.303 3.204 20 30 CGEDHM Cc1ccccc1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000078868652 334141694 /nfs/dbraw/zinc/14/16/94/334141694.db2.gz YMBQRTIZGMXVRI-UHFFFAOYSA-N -1 3 282.303 3.204 20 30 CGEDHM Cc1ccccc1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868652 334141696 /nfs/dbraw/zinc/14/16/96/334141696.db2.gz YMBQRTIZGMXVRI-UHFFFAOYSA-N -1 3 282.303 3.204 20 30 CGEDHM C=CCC(C)(C)c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000551492685 334251551 /nfs/dbraw/zinc/25/15/51/334251551.db2.gz RSDZMGUMSNEGDX-UHFFFAOYSA-N -1 3 295.346 3.375 20 30 CGEDHM C=CCCCCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000576600413 335225270 /nfs/dbraw/zinc/22/52/70/335225270.db2.gz ZLKKPVTUIYCXCQ-UHFFFAOYSA-N -1 3 259.349 3.099 20 30 CGEDHM C[C@H](C#N)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000176078943 335234987 /nfs/dbraw/zinc/23/49/87/335234987.db2.gz CHGCLNJTVOSEHJ-GFCCVEGCSA-N -1 3 296.326 3.074 20 30 CGEDHM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000344726500 526580805 /nfs/dbraw/zinc/58/08/05/526580805.db2.gz AVWMSWVFHAWJPS-CYBMUJFWSA-N -1 3 295.342 3.144 20 30 CGEDHM C=CCCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000344465382 527227402 /nfs/dbraw/zinc/22/74/02/527227402.db2.gz ZMGOERQVPDIEND-UHFFFAOYSA-N -1 3 295.795 3.488 20 30 CGEDHM CC(=NNc1ccc(C)cn1)c1cc(F)ccc1[O-] ZINC000727260135 571736172 /nfs/dbraw/zinc/73/61/72/571736172.db2.gz QXGMRYZLNJDUBN-UHFFFAOYSA-N -1 3 259.284 3.071 20 30 CGEDHM CCOc1ccc(/C=N/C[C@H](O)C2CCCCC2)c([O-])c1 ZINC000727685684 571763123 /nfs/dbraw/zinc/76/31/23/571763123.db2.gz WWLRGMZIYRHAPC-SZLZGVTBSA-N -1 3 291.391 3.151 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2ccc(C#N)cc2)ccc1[O-] ZINC000728232002 571797420 /nfs/dbraw/zinc/79/74/20/571797420.db2.gz PZOUKDMNULDPJL-VURMDHGXSA-N -1 3 263.296 3.468 20 30 CGEDHM C=CCN(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000521447112 571855600 /nfs/dbraw/zinc/85/56/00/571855600.db2.gz UDNPUZVKLJSBCX-LLVKDONJSA-N -1 3 274.147 3.237 20 30 CGEDHM Cc1ccc2oc(C(=O)[N-]c3sccc3C#N)cc2n1 ZINC000729167483 571880695 /nfs/dbraw/zinc/88/06/95/571880695.db2.gz LYSKYWNEHCTFSD-UHFFFAOYSA-N -1 3 283.312 3.322 20 30 CGEDHM CCC(Cc1ccccc1)N=Nc1cn[n-]c(=O)c1Cl ZINC000730568340 572363775 /nfs/dbraw/zinc/36/37/75/572363775.db2.gz UNDBJDHBPNESNO-UHFFFAOYSA-N -1 3 290.754 3.256 20 30 CGEDHM N#C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000737676840 572364099 /nfs/dbraw/zinc/36/40/99/572364099.db2.gz XPWPAVFMXGNCMG-CQSZACIVSA-N -1 3 299.403 3.431 20 30 CGEDHM N#C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000737676840 572364103 /nfs/dbraw/zinc/36/41/03/572364103.db2.gz XPWPAVFMXGNCMG-CQSZACIVSA-N -1 3 299.403 3.431 20 30 CGEDHM C#CCOc1ccccc1OC(=O)c1cc2ccsc2[n-]1 ZINC000730706854 572369569 /nfs/dbraw/zinc/36/95/69/572369569.db2.gz KOPTUROKAJJCRJ-UHFFFAOYSA-N -1 3 297.335 3.461 20 30 CGEDHM CCOc1ccc(/C=N\[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([O-])c1 ZINC000741165915 572487083 /nfs/dbraw/zinc/48/70/83/572487083.db2.gz STTQFFKVDQIAJV-IVIMJNQNSA-N -1 3 289.375 3.023 20 30 CGEDHM CC(C)(C)c1cc(C(=O)[N-]c2sccc2C#N)no1 ZINC000741886199 572540109 /nfs/dbraw/zinc/54/01/09/572540109.db2.gz YZDXXJDTINJWEA-UHFFFAOYSA-N -1 3 275.333 3.158 20 30 CGEDHM COc1cccc([O-])c1/C=N/CC(C1CC1)C1CC1 ZINC000743043795 572635621 /nfs/dbraw/zinc/63/56/21/572635621.db2.gz ADCXLUYFYRHZEJ-LICLKQGHSA-N -1 3 259.349 3.256 20 30 CGEDHM CC(N=Nc1cccnn1)c1ccc2ccccc2c1[O-] ZINC000735973455 572758132 /nfs/dbraw/zinc/75/81/32/572758132.db2.gz KNYMVUSKMWTWJI-UHFFFAOYSA-N -1 3 278.315 3.172 20 30 CGEDHM CCOc1ccc(/C=N/[C@@H]2CCCSC2)c([O-])c1 ZINC000749007572 572988166 /nfs/dbraw/zinc/98/81/66/572988166.db2.gz JKIIEUKMMOGTOG-KMHUVPDISA-N -1 3 265.378 3.105 20 30 CGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC(C)(C)C[C@@H]2C)c1[O-] ZINC000749008293 572988169 /nfs/dbraw/zinc/98/81/69/572988169.db2.gz UOBSBINNJCTLHQ-NBKDAGRISA-N -1 3 290.407 3.222 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@H](C)c1ncc(C)s1 ZINC000749931168 573062665 /nfs/dbraw/zinc/06/26/65/573062665.db2.gz RBSQTPQJEDDYNS-IIBSKXHVSA-N -1 3 276.361 3.346 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cccs1 ZINC000901371309 620866407 /nfs/dbraw/zinc/86/64/07/620866407.db2.gz ADRUUESOKGALJL-JTQLQIEISA-N -1 3 279.336 3.409 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccnn2C2CCC2)ccc1[O-] ZINC000899340511 620644825 /nfs/dbraw/zinc/64/48/25/620644825.db2.gz DQSMGPBSSAAYMI-VURMDHGXSA-N -1 3 298.342 3.218 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822284012 606389249 /nfs/dbraw/zinc/38/92/49/606389249.db2.gz GFSYFEAMEGYAQR-ALCCZGGFSA-N -1 3 296.355 3.133 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccsc1 ZINC000900094877 620761573 /nfs/dbraw/zinc/76/15/73/620761573.db2.gz UCGLPHVBQGMPLY-SNVBAGLBSA-N -1 3 279.336 3.409 20 30 CGEDHM Cc1ccc(F)cc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187242 618866434 /nfs/dbraw/zinc/86/64/34/618866434.db2.gz CUHGCKFQFIYGLY-UHFFFAOYSA-N -1 3 285.274 3.068 20 30 CGEDHM Cc1cc([O-])c(CN[C@@H](CC#N)C(F)(F)F)cc1Cl ZINC000896696815 620048014 /nfs/dbraw/zinc/04/80/14/620048014.db2.gz NLUXIYJNBYNHDW-NSHDSACASA-N -1 3 292.688 3.288 20 30 CGEDHM CC(C)(O)C(C)(C)C/N=C\c1cc(Cl)ccc1[O-] ZINC000840709655 620105691 /nfs/dbraw/zinc/10/56/91/620105691.db2.gz KUWOXUVFZDNLHM-PXNMLYILSA-N -1 3 269.772 3.262 20 30 CGEDHM CCCCCCCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211368 620488144 /nfs/dbraw/zinc/48/81/44/620488144.db2.gz OHCFKXRFTXWCSY-CYBMUJFWSA-N -1 3 293.411 3.182 20 30 CGEDHM Cc1cc([O-])c(C=NNC2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC000901303844 620851754 /nfs/dbraw/zinc/85/17/54/620851754.db2.gz PRTOVAQWQACMPG-GHMZBOCLSA-N -1 3 296.798 3.234 20 30 CGEDHM Cc1noc(C)c1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901367743 620865153 /nfs/dbraw/zinc/86/51/53/620865153.db2.gz KRXADCBLVSNXCD-UHFFFAOYSA-N -1 3 296.326 3.476 20 30 CGEDHM C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CCc2ccccc21 ZINC000901371684 620866519 /nfs/dbraw/zinc/86/65/19/620866519.db2.gz HKAKCOXALCVNNW-SFHVURJKSA-N -1 3 299.345 3.448 20 30 CGEDHM O=C([C@@H]1C[C@H]1c1ccsc1)N([O-])Cc1ccc(F)cc1 ZINC000901372940 620867401 /nfs/dbraw/zinc/86/74/01/620867401.db2.gz PVMIFMXGSRGTMX-UONOGXRCSA-N -1 3 291.347 3.409 20 30 CGEDHM N#CC1CCC(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000903408143 621731784 /nfs/dbraw/zinc/73/17/84/621731784.db2.gz FAKXXQOPRWWZGR-KVULBXGLSA-N -1 3 298.386 3.000 20 30 CGEDHM CC(C)c1ncsc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177973 621885506 /nfs/dbraw/zinc/88/55/06/621885506.db2.gz VEHYXFRFIDWIBX-UHFFFAOYSA-N -1 3 294.351 3.437 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000904208338 621886266 /nfs/dbraw/zinc/88/62/66/621886266.db2.gz VERHSARSQYKXKO-JTQLQIEISA-N -1 3 298.364 3.093 20 30 CGEDHM CCCCN([O-])C(=O)CCc1c[nH]c2ccccc12 ZINC000904208203 621886399 /nfs/dbraw/zinc/88/63/99/621886399.db2.gz QBJHKFCDAJJLKX-UHFFFAOYSA-N -1 3 260.337 3.118 20 30 CGEDHM COCCC[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904190425 621886850 /nfs/dbraw/zinc/88/68/50/621886850.db2.gz LNVYHKIWUTUSAV-LLVKDONJSA-N -1 3 285.771 3.121 20 30 CGEDHM O=C(C1CC(F)(F)C1)N([O-])CCCCc1ccccc1 ZINC000904196884 621887866 /nfs/dbraw/zinc/88/78/66/621887866.db2.gz KBKILVMWDXZIMK-UHFFFAOYSA-N -1 3 283.318 3.272 20 30 CGEDHM CO[C@H](C)CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904197599 621888208 /nfs/dbraw/zinc/88/82/08/621888208.db2.gz IJONYRIANXTZCV-CQSZACIVSA-N -1 3 279.380 3.042 20 30 CGEDHM CCCCCCN([O-])C(=O)CC1CCC2(CC1)OCCO2 ZINC000904204445 621889518 /nfs/dbraw/zinc/88/95/18/621889518.db2.gz LWOQCWRJBFYFAA-UHFFFAOYSA-N -1 3 299.411 3.108 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000904204300 621889788 /nfs/dbraw/zinc/88/97/88/621889788.db2.gz JECGMZXXCGBHAN-KGLIPLIRSA-N -1 3 283.412 3.426 20 30 CGEDHM N#C[C@@]1(C(=O)Nc2cc(F)ccc2[O-])CC2CCC1CC2 ZINC000907143795 622284203 /nfs/dbraw/zinc/28/42/03/622284203.db2.gz BFSRXVWIUINUCM-PRDDCLIZSA-N -1 3 288.322 3.190 20 30 CGEDHM NC(=O)c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000914702178 623848266 /nfs/dbraw/zinc/84/82/66/623848266.db2.gz YMWLAVYELCCTQW-UHFFFAOYSA-N -1 3 292.697 3.034 20 30 CGEDHM CC1(C)CCc2onc(C([O-])=C(C#N)c3ccccn3)c2C1 ZINC000873498834 634391126 /nfs/dbraw/zinc/39/11/26/634391126.db2.gz YVAGKPLYIJLTOZ-GFCCVEGCSA-N -1 3 295.342 3.075 20 30 CGEDHM CCCCCCCS(=O)(=O)c1cccc([O-])c1 ZINC000183975791 625188573 /nfs/dbraw/zinc/18/85/73/625188573.db2.gz HIYYJUHXPRBNNK-UHFFFAOYSA-N -1 3 256.367 3.136 20 30 CGEDHM CC(=NNc1ccncc1Cl)c1cc(Cl)ccc1[O-] ZINC000756842927 626737446 /nfs/dbraw/zinc/73/74/46/626737446.db2.gz YZVZAFHXXQWCRX-UHFFFAOYSA-N -1 3 296.157 3.352 20 30 CGEDHM CC1(C)CCCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000767780277 627436530 /nfs/dbraw/zinc/43/65/30/627436530.db2.gz RQEQSIDUEXHBTO-UHFFFAOYSA-N -1 3 294.420 3.062 20 30 CGEDHM C[C@@H]1CC(/N=C\c2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000767879642 627440946 /nfs/dbraw/zinc/44/09/46/627440946.db2.gz VYOHERBOOCNLTQ-YKDPKYFUSA-N -1 3 267.756 3.421 20 30 CGEDHM CC(C)N(CCC#N)Cc1cccc(Br)c1[O-] ZINC000768765929 627497466 /nfs/dbraw/zinc/49/74/66/627497466.db2.gz WHWVZCHRQMRGFL-UHFFFAOYSA-N -1 3 297.196 3.279 20 30 CGEDHM C[C@@H]1C[C@@H](C/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000770569687 627627274 /nfs/dbraw/zinc/62/72/74/627627274.db2.gz VMQZVTRURQDPNI-BWQAPMFPSA-N -1 3 267.756 3.280 20 30 CGEDHM N#Cc1ccc(/C=C2/Cc3c(cccc3[O-])C2=O)c(F)c1 ZINC000772796680 627823905 /nfs/dbraw/zinc/82/39/05/627823905.db2.gz JZXNFYYAFQPWFY-GHXNOFRVSA-N -1 3 279.270 3.225 20 30 CGEDHM CCC(N=Nc1ncncc1Cl)c1ccc([O-])c(F)c1 ZINC000780281737 628477048 /nfs/dbraw/zinc/47/70/48/628477048.db2.gz RZEJASHSPWCGGW-UHFFFAOYSA-N -1 3 294.717 3.201 20 30 CGEDHM [O-]c1cccc(Cl)c1C=NNc1ccnc(F)c1 ZINC000781131937 628539857 /nfs/dbraw/zinc/53/98/57/628539857.db2.gz HINRJYFSCLDJIJ-UHFFFAOYSA-N -1 3 265.675 3.026 20 30 CGEDHM Cc1cc(=O)[n-]c(CSc2cccc(Cl)c2C#N)n1 ZINC000782919262 628668164 /nfs/dbraw/zinc/66/81/64/628668164.db2.gz QVUVRTKRLLIBNK-UHFFFAOYSA-N -1 3 291.763 3.308 20 30 CGEDHM CC1(C#N)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792174685 629345209 /nfs/dbraw/zinc/34/52/09/629345209.db2.gz ZHBPEFVHJXWUBO-UHFFFAOYSA-N -1 3 282.746 3.310 20 30 CGEDHM C[C@H](NN=Cc1c([O-])cccc1Cl)C(C)(C)C ZINC000793114781 629413168 /nfs/dbraw/zinc/41/31/68/629413168.db2.gz NKWRTZXLPNZYAS-VIFPVBQESA-N -1 3 254.761 3.404 20 30 CGEDHM S=c1[n-]c2ccccc2nc1N=NCC[C@H]1CCOC1 ZINC000863128750 629481440 /nfs/dbraw/zinc/48/14/40/629481440.db2.gz QMTKINONHZREOL-JTQLQIEISA-N -1 3 288.376 3.117 20 30 CGEDHM Cc1cccc(CNN=Cc2c(F)ccc([O-])c2F)c1 ZINC000794520935 629549374 /nfs/dbraw/zinc/54/93/74/629549374.db2.gz UFUXTWOWKBGLCO-UHFFFAOYSA-N -1 3 276.286 3.103 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CCCCc2ccccc2)c1[O-] ZINC000798068320 630019031 /nfs/dbraw/zinc/01/90/31/630019031.db2.gz HEOIRKYDMJPKKZ-UNOMPAQXSA-N -1 3 298.386 3.030 20 30 CGEDHM C[C@@H](CC#N)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810582889 630897853 /nfs/dbraw/zinc/89/78/53/630897853.db2.gz HVBRUZMIHYSOEI-LURJTMIESA-N -1 3 268.725 3.342 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Cl)s2)c1 ZINC000811188118 631041590 /nfs/dbraw/zinc/04/15/90/631041590.db2.gz WLRPWEFSINEEJH-UHFFFAOYSA-N -1 3 293.731 3.336 20 30 CGEDHM [O-]c1c(C=NNCCC(F)(F)F)ccc2ccccc12 ZINC000814920535 631682846 /nfs/dbraw/zinc/68/28/46/631682846.db2.gz PHJOGYJYXCWMID-UHFFFAOYSA-N -1 3 282.265 3.421 20 30 CGEDHM C#C[C@H]([N-]c1nc(C(C)(C)OC)ns1)c1ccccc1 ZINC000865900340 632943851 /nfs/dbraw/zinc/94/38/51/632943851.db2.gz XIWRXNDNYUFRKV-LBPRGKRZSA-N -1 3 287.388 3.206 20 30 CGEDHM C=CCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823899047 633166315 /nfs/dbraw/zinc/16/63/15/633166315.db2.gz IXBOCKQWGLJLDV-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM C=CCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823899047 633166320 /nfs/dbraw/zinc/16/63/20/633166320.db2.gz IXBOCKQWGLJLDV-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM N#CC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826861617 633437863 /nfs/dbraw/zinc/43/78/63/633437863.db2.gz HLWAMFDONHGUHY-JTQLQIEISA-N -1 3 282.746 3.310 20 30 CGEDHM C=CCC1(C(=O)[N-]OCCCC(F)(F)F)CCC1 ZINC000871215210 633729878 /nfs/dbraw/zinc/72/98/78/633729878.db2.gz SSESIMPUFOYGAT-UHFFFAOYSA-N -1 3 265.275 3.123 20 30 CGEDHM CCOC1CC2(C[C@@H]2/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000871598540 633800426 /nfs/dbraw/zinc/80/04/26/633800426.db2.gz SRFLSQFXBDQAIM-HJLJRIEISA-N -1 3 279.767 3.422 20 30 CGEDHM CCO[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])[C@@H]1SC ZINC000843262947 635627609 /nfs/dbraw/zinc/62/76/09/635627609.db2.gz GMEMBUZVGMPGII-NKBPTUTFSA-N -1 3 299.823 3.374 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)CC(C)(C)CC2 ZINC000844709196 635956312 /nfs/dbraw/zinc/95/63/12/635956312.db2.gz AAWKMJZLAACIOQ-SECBINFHSA-N -1 3 295.408 3.286 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCOc1ccc(C(C)C)cc1 ZINC000846539473 636196050 /nfs/dbraw/zinc/19/60/50/636196050.db2.gz IDCOAGWBVCANQE-UHFFFAOYSA-N -1 3 277.364 3.203 20 30 CGEDHM CC(C)c1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000850948583 637196990 /nfs/dbraw/zinc/19/69/90/637196990.db2.gz UGDJCASOZYNROM-CQSZACIVSA-N -1 3 265.316 3.090 20 30 CGEDHM CCc1cc(CN[C@H](CC)c2cccc(C#N)c2[O-])on1 ZINC000925127767 638458003 /nfs/dbraw/zinc/45/80/03/638458003.db2.gz HVJUVIDWTSMTGY-OAHLLOKOSA-N -1 3 285.347 3.055 20 30 CGEDHM CCCCCCCCCN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000858703563 639013076 /nfs/dbraw/zinc/01/30/76/639013076.db2.gz VDIMLNGMVDKGEV-UHFFFAOYSA-N -1 3 279.384 3.005 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000862133336 639649938 /nfs/dbraw/zinc/64/99/38/639649938.db2.gz YDEOJDHLQMEDPK-MRVPVSSYSA-N -1 3 274.147 3.158 20 30 CGEDHM N#Cc1cc(NC(=O)c2cc3[nH]ccc3c(F)c2)ccc1[O-] ZINC001155404276 805579012 /nfs/dbraw/zinc/57/90/12/805579012.db2.gz KDUREFBVSVICAR-UHFFFAOYSA-N -1 3 295.273 3.137 20 30 CGEDHM CCCCCCCC[C@H](O)CNc1cc(=O)[n-]c(C)n1 ZINC001252122482 806008993 /nfs/dbraw/zinc/00/89/93/806008993.db2.gz WIFXDYCKNUYHGB-ZDUSSCGKSA-N -1 3 281.400 3.014 20 30 CGEDHM C=CCCCNC(=O)c1ccc(OCCCC)cc1[O-] ZINC001161266764 806362057 /nfs/dbraw/zinc/36/20/57/806362057.db2.gz LMRQGMWZBBEYQS-UHFFFAOYSA-N -1 3 277.364 3.267 20 30 CGEDHM CO[C@@](C)(C(=O)N([O-])CCCCc1ccccc1)C1CC1 ZINC001161818946 806462917 /nfs/dbraw/zinc/46/29/17/806462917.db2.gz JMGJGTGJJBRJNW-QGZVFWFLSA-N -1 3 291.391 3.042 20 30 CGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1ccco1 ZINC000122632774 798991671 /nfs/dbraw/zinc/99/16/71/798991671.db2.gz GDGJJOKQVVSWEA-XEHSLEBBSA-N -1 3 291.310 3.056 20 30 CGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccsc2)c1 ZINC000127581608 799013567 /nfs/dbraw/zinc/01/35/67/799013567.db2.gz VQBHYHNCPLMKEE-ZDUSSCGKSA-N -1 3 284.340 3.018 20 30 CGEDHM C#CCN(CC1CC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC001117641519 802472867 /nfs/dbraw/zinc/47/28/67/802472867.db2.gz ZKZIZRBBNLVBCP-UHFFFAOYSA-N -1 3 279.339 3.031 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2cccc3c2CCN3)c1 ZINC001243854262 803052045 /nfs/dbraw/zinc/05/20/45/803052045.db2.gz QZMTVMQKBWLYPW-GIJQJNRQSA-N -1 3 256.280 3.269 20 30 CGEDHM Cc1nc2cc(-c3cc(C=N[O-])ccc3F)ccc2[nH]1 ZINC001243966056 803107450 /nfs/dbraw/zinc/10/74/50/803107450.db2.gz BZFOWILXCBWSHZ-CAOOACKPSA-N -1 3 269.279 3.486 20 30 CGEDHM Cc1nc2ccc(-c3cc(/C=N/[O-])ccc3F)cc2[nH]1 ZINC001243966056 803107454 /nfs/dbraw/zinc/10/74/54/803107454.db2.gz BZFOWILXCBWSHZ-CAOOACKPSA-N -1 3 269.279 3.486 20 30 CGEDHM COC(=O)c1cc(C#N)cc(-c2ccc(Cl)cc2[O-])c1 ZINC001244472495 803388639 /nfs/dbraw/zinc/38/86/39/803388639.db2.gz NZPMHPOJRYDNCQ-UHFFFAOYSA-N -1 3 287.702 3.371 20 30 CGEDHM N#CCOc1cc(F)ccc1-c1c([O-])cccc1F ZINC001245653637 803884834 /nfs/dbraw/zinc/88/48/34/803884834.db2.gz OFNNZEMHNNGKIA-UHFFFAOYSA-N -1 3 261.227 3.240 20 30 CGEDHM C=CCC(C)(C)CNC(=O)c1ccc(CC)cc1[O-] ZINC001141402143 804638817 /nfs/dbraw/zinc/63/88/17/804638817.db2.gz BVXHNIKSULBFOT-UHFFFAOYSA-N -1 3 261.365 3.287 20 30 CGEDHM Cc1cccc2[nH]c(C(=O)Nc3ccc([O-])c(C#N)c3)cc21 ZINC001151077757 805280569 /nfs/dbraw/zinc/28/05/69/805280569.db2.gz QRFVBZHLWLAUFI-UHFFFAOYSA-N -1 3 291.310 3.306 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1c([O-])cnc2ccc(C)cc21 ZINC001154530356 805461374 /nfs/dbraw/zinc/46/13/74/805461374.db2.gz GSZUAJFVHVERPP-UHFFFAOYSA-N -1 3 284.359 3.287 20 30 CGEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001259168085 807675170 /nfs/dbraw/zinc/67/51/70/807675170.db2.gz PGAZZEGKDAOMPI-UHFFFAOYSA-N -1 3 285.368 3.086 20 30 CGEDHM N#Cc1ccc(Nc2cc(F)ccc2[O-])cc1C#N ZINC001174628727 809109976 /nfs/dbraw/zinc/10/99/76/809109976.db2.gz PGDUINRWQWROAO-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM N#Cc1ccsc1Nc1c(F)cc([O-])cc1F ZINC001175094636 809268799 /nfs/dbraw/zinc/26/87/99/809268799.db2.gz KYRPBNVKJRHXQL-UHFFFAOYSA-N -1 3 252.245 3.347 20 30 CGEDHM N#Cc1cc(Nc2c(F)ccc([O-])c2F)cs1 ZINC001175266671 809331728 /nfs/dbraw/zinc/33/17/28/809331728.db2.gz WJEZXYCYAZQADH-UHFFFAOYSA-N -1 3 252.245 3.347 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2c(C)cccc2Cl)c1C#N ZINC001182899227 810129792 /nfs/dbraw/zinc/12/97/92/810129792.db2.gz DCHGJSCIGFEBEX-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001184293350 810189183 /nfs/dbraw/zinc/18/91/83/810189183.db2.gz PMBBZZPWBMSKQC-DGCLKSJQSA-N -1 3 297.782 3.261 20 30 CGEDHM CCCCCCN([O-])C(=O)CSC[C@@H]1CCCCO1 ZINC001184305377 810190138 /nfs/dbraw/zinc/19/01/38/810190138.db2.gz IAOFCADICWKUAW-ZDUSSCGKSA-N -1 3 289.441 3.087 20 30 CGEDHM CSc1ccc(NC(=O)[N-]c2onc(C)c2C#N)cc1 ZINC001188073446 810449376 /nfs/dbraw/zinc/44/93/76/810449376.db2.gz JPFUXHLUOQOUJL-UHFFFAOYSA-N -1 3 288.332 3.221 20 30 CGEDHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001188639048 810497015 /nfs/dbraw/zinc/49/70/15/810497015.db2.gz VDFPDSSITAMKBD-UHFFFAOYSA-N -1 3 295.342 3.149 20 30 CGEDHM C=C1CC=C(F)C=C1NC(=O)c1c(C)cccc1[O-] ZINC001188659613 810500928 /nfs/dbraw/zinc/50/09/28/810500928.db2.gz LXDCDXRPSTWYJA-UHFFFAOYSA-N -1 3 259.280 3.128 20 30 CGEDHM Cc1cccc(C)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001189056785 810539848 /nfs/dbraw/zinc/53/98/48/810539848.db2.gz SYGRXJYMCFXOLZ-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM COCOc1cccc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001214441932 815409628 /nfs/dbraw/zinc/40/96/28/815409628.db2.gz NBGVMKNNFUMNRW-UHFFFAOYSA-N -1 3 288.278 3.129 20 30 CGEDHM Cc1cc(C#N)c([N-]C(=O)c2c(F)cncc2Cl)s1 ZINC001195468808 811257861 /nfs/dbraw/zinc/25/78/61/811257861.db2.gz VBMPVKABTXRTAA-UHFFFAOYSA-N -1 3 295.726 3.368 20 30 CGEDHM C#C[C@@H](CCC)Oc1c([O-])cc(Br)cc1F ZINC001227586618 817677432 /nfs/dbraw/zinc/67/74/32/817677432.db2.gz BXKYORUGMGJPEG-VIFPVBQESA-N -1 3 287.128 3.475 20 30 CGEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(F)cc1F ZINC001202024630 811999702 /nfs/dbraw/zinc/99/97/02/811999702.db2.gz XXCLMAPNKVKCIM-UHFFFAOYSA-N -1 3 289.241 3.186 20 30 CGEDHM N#Cc1ccc(Nc2cc(F)c(F)cc2[O-])cc1F ZINC001204076274 812542324 /nfs/dbraw/zinc/54/23/24/812542324.db2.gz GNEOQYZSTKAUQN-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1cn(-c2cc(F)c([O-])cc2F)c2ccc(N)cc12 ZINC001215576273 815539762 /nfs/dbraw/zinc/53/97/62/815539762.db2.gz RRCJECLROGEAMD-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2cc(F)c(C)cc2s1 ZINC001204623964 812693571 /nfs/dbraw/zinc/69/35/71/812693571.db2.gz PONKUFUEJNHLGF-MRVPVSSYSA-N -1 3 295.339 3.371 20 30 CGEDHM Cc1ccc(F)c(Nc2ccc(C#N)c(C#N)c2)c1[O-] ZINC001215741487 815572202 /nfs/dbraw/zinc/57/22/02/815572202.db2.gz MUVICXSBARNIRP-UHFFFAOYSA-N -1 3 267.263 3.327 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2ccccc2-n2cccn2)c1 ZINC001242713380 823109614 /nfs/dbraw/zinc/10/96/14/823109614.db2.gz ZECWHVWUJRPBPJ-YBFXNURJSA-N -1 3 281.290 3.487 20 30 CGEDHM CC(=O)c1ccc(Nc2ccccc2C#N)cc1[O-] ZINC001210738993 814604583 /nfs/dbraw/zinc/60/45/83/814604583.db2.gz LAPXHUHIOZYTLF-UHFFFAOYSA-N -1 3 252.273 3.210 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cnccc2Br)c1 ZINC001211232867 814855860 /nfs/dbraw/zinc/85/58/60/814855860.db2.gz CHTDDTIXONHKBO-UHFFFAOYSA-N -1 3 290.120 3.165 20 30 CGEDHM COc1ncc(Nc2ccc(Cl)cc2C#N)cc1[O-] ZINC001216210125 815739247 /nfs/dbraw/zinc/73/92/47/815739247.db2.gz WECJCRLFRCZUBB-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM CCOc1ccc(-c2ccccc2C=N[O-])c(C)n1 ZINC001222121605 816352741 /nfs/dbraw/zinc/35/27/41/816352741.db2.gz BUDAWBGMKVMNQV-UHFFFAOYSA-N -1 3 256.305 3.264 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccccc2[N+](=O)[O-])[n-]1 ZINC001225469896 817064653 /nfs/dbraw/zinc/06/46/53/817064653.db2.gz POSWBLIROCQMLI-SNVBAGLBSA-N -1 3 299.286 3.016 20 30 CGEDHM C=CC[C@H](CCC)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225580310 817099693 /nfs/dbraw/zinc/09/96/93/817099693.db2.gz XFEDECQKXFCPFV-MRVPVSSYSA-N -1 3 276.258 3.325 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664097 817131704 /nfs/dbraw/zinc/13/17/04/817131704.db2.gz JMRKAJKLNZLIKR-JTQLQIEISA-N -1 3 266.297 3.209 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=S)ncc1C ZINC001225740691 817162232 /nfs/dbraw/zinc/16/22/32/817162232.db2.gz HZVRGQJZRPINFX-NSHDSACASA-N -1 3 262.378 3.057 20 30 CGEDHM C=CCOc1ccccc1[C@@H](C)Oc1nc[n-]c(=O)c1C ZINC001226076147 817265640 /nfs/dbraw/zinc/26/56/40/817265640.db2.gz LVASOKRAMCFFOA-GFCCVEGCSA-N -1 3 286.331 3.195 20 30 CGEDHM C#C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1 ZINC001226119829 817278641 /nfs/dbraw/zinc/27/86/41/817278641.db2.gz OWMUNAKTKLHJOX-CQSZACIVSA-N -1 3 282.368 3.396 20 30 CGEDHM CCC[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226254613 817312336 /nfs/dbraw/zinc/31/23/36/817312336.db2.gz AYKVZFXUPIRNRP-SWEABUAFSA-N -1 3 271.320 3.205 20 30 CGEDHM C#C[C@@H](CCCCC)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226332577 817330658 /nfs/dbraw/zinc/33/06/58/817330658.db2.gz CJXUUJUNVWOWEM-NSHDSACASA-N -1 3 263.293 3.261 20 30 CGEDHM N#CC[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001226334782 817331229 /nfs/dbraw/zinc/33/12/29/817331229.db2.gz YWIVZGIUXFTKTH-AWEZNQCLSA-N -1 3 284.271 3.334 20 30 CGEDHM C=CC[C@H](CCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481048 817371452 /nfs/dbraw/zinc/37/14/52/817371452.db2.gz BLIUWJXMWREEMF-LLVKDONJSA-N -1 3 264.321 3.424 20 30 CGEDHM CCc1cnc(=S)[n-]c1O[C@H](C)CC(C)(C)S ZINC001227063606 817547569 /nfs/dbraw/zinc/54/75/69/817547569.db2.gz MNVFJMOACFNAJE-MRVPVSSYSA-N -1 3 272.439 3.194 20 30 CGEDHM Cc1ccc([C@H](C)Oc2cc(C#N)ccc2[O-])cn1 ZINC001227350496 817629362 /nfs/dbraw/zinc/62/93/62/817629362.db2.gz NQMUCBFGKKGKGH-NSHDSACASA-N -1 3 254.289 3.107 20 30 CGEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001227348645 817629509 /nfs/dbraw/zinc/62/95/09/817629509.db2.gz AVMVIXGQRFXLRV-JTQLQIEISA-N -1 3 284.271 3.312 20 30 CGEDHM C=CC[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001227743094 817709190 /nfs/dbraw/zinc/70/91/90/817709190.db2.gz IXJKOQBJQNSJKN-CYBMUJFWSA-N -1 3 275.308 3.451 20 30 CGEDHM C=CC[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(C)C ZINC001227743094 817709210 /nfs/dbraw/zinc/70/92/10/817709210.db2.gz IXJKOQBJQNSJKN-CYBMUJFWSA-N -1 3 275.308 3.451 20 30 CGEDHM N#C[C@@H](Oc1ncc(Cl)cc1[O-])c1ccccc1F ZINC001227983807 817773204 /nfs/dbraw/zinc/77/32/04/817773204.db2.gz TYUYQCWVNKQYDD-GFCCVEGCSA-N -1 3 278.670 3.223 20 30 CGEDHM C=CC[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1 ZINC001228011194 817784138 /nfs/dbraw/zinc/78/41/38/817784138.db2.gz YEZGESTYKRPVRK-CQSZACIVSA-N -1 3 293.326 3.427 20 30 CGEDHM CC#CC[C@@H](CC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675440 817969352 /nfs/dbraw/zinc/96/93/52/817969352.db2.gz QAMZGKBSSQADBH-LLVKDONJSA-N -1 3 287.319 3.350 20 30 CGEDHM C=C(C)C[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(=C)C ZINC001228688319 817973166 /nfs/dbraw/zinc/97/31/66/817973166.db2.gz HQQZBKJDPZMPJX-NSHDSACASA-N -1 3 278.308 3.294 20 30 CGEDHM N#C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccc(F)c1 ZINC001228855115 818023534 /nfs/dbraw/zinc/02/35/34/818023534.db2.gz CRARAIFBHXFWIN-KRWDZBQOSA-N -1 3 297.285 3.304 20 30 CGEDHM CCCCN(CCC#N)Cc1cc(Cl)c([O-])cc1O ZINC001232261815 818294988 /nfs/dbraw/zinc/29/49/88/818294988.db2.gz PSWRHJPYBHIIAL-UHFFFAOYSA-N -1 3 282.771 3.267 20 30 CGEDHM C=CCN(CC=C)Cc1ccc(OC)c([O-])c1Cl ZINC001233400795 818611866 /nfs/dbraw/zinc/61/18/66/818611866.db2.gz YLGHKHLQYMRGKV-UHFFFAOYSA-N -1 3 267.756 3.228 20 30 CGEDHM N#C[C@H](Oc1ccc2occ([O-])c2c1)c1cccc(F)c1 ZINC001233680571 818678574 /nfs/dbraw/zinc/67/85/74/818678574.db2.gz LJSYMVIUCSPHPK-INIZCTEOSA-N -1 3 283.258 3.044 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H]2CCc3c2nccc3Cl)c1 ZINC001234138656 818788139 /nfs/dbraw/zinc/78/81/39/818788139.db2.gz CGXHDYZEIQLNNC-CQSZACIVSA-N -1 3 286.718 3.379 20 30 CGEDHM N#Cc1cc([O-])cc(OC2CC(OCc3ccccc3)C2)c1 ZINC001234141911 818790233 /nfs/dbraw/zinc/79/02/33/818790233.db2.gz RHHISRIPRBOHKL-UHFFFAOYSA-N -1 3 295.338 3.390 20 30 CGEDHM CC(=O)Oc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001243367053 823373251 /nfs/dbraw/zinc/37/32/51/823373251.db2.gz YFEBJNXMZVYPBQ-RQZCQDPDSA-N -1 3 273.263 3.226 20 30 CGEDHM COc1ccc2ccc([O-])c(CN3CCCC[C@@H]3C#N)c2c1 ZINC001234553202 818881366 /nfs/dbraw/zinc/88/13/66/818881366.db2.gz ZHJYXKNBDBEKMK-CQSZACIVSA-N -1 3 296.370 3.432 20 30 CGEDHM N#CCC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237935992 819887080 /nfs/dbraw/zinc/88/70/80/819887080.db2.gz HUEPBQGHMLRHOX-UHFFFAOYSA-N -1 3 282.746 3.310 20 30 CGEDHM N#Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC001240403643 821024324 /nfs/dbraw/zinc/02/43/24/821024324.db2.gz RDKOBAAVEQSNCA-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM N#Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001240403643 821024333 /nfs/dbraw/zinc/02/43/33/821024333.db2.gz RDKOBAAVEQSNCA-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM CC(C)CCn1cc(-c2cccc(/C=N/[O-])c2)cn1 ZINC001240419906 821041556 /nfs/dbraw/zinc/04/15/56/821041556.db2.gz CQOYQUJUZHWFRS-RQZCQDPDSA-N -1 3 257.337 3.404 20 30 CGEDHM COc1ccc(CC#N)cc1-c1ccc([O-])c(F)c1 ZINC001240785936 821325220 /nfs/dbraw/zinc/32/52/20/821325220.db2.gz VMLKEPUXJRVMEC-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM N#Cc1ccc(-c2cc(C(F)(F)F)ccc2[O-])cn1 ZINC001242137373 822889184 /nfs/dbraw/zinc/88/91/84/822889184.db2.gz FCPQMLUOCSBRHF-UHFFFAOYSA-N -1 3 264.206 3.345 20 30 CGEDHM COc1ccc(C(C)=O)cc1-c1ccccc1C=N[O-] ZINC001242271284 822933051 /nfs/dbraw/zinc/93/30/51/822933051.db2.gz ZTUSEZXXEXCYJN-UHFFFAOYSA-N -1 3 269.300 3.373 20 30 CGEDHM C/C(=N\O)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242566438 823037050 /nfs/dbraw/zinc/03/70/50/823037050.db2.gz ZIJJBCBANXLGAR-LICLKQGHSA-N -1 3 252.273 3.129 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1cscc1C(F)F ZINC001345643215 936819236 /nfs/dbraw/zinc/81/92/36/936819236.db2.gz NTKKSMFPXITVNX-MRVPVSSYSA-N -1 3 295.314 3.392 20 30 CGEDHM C#C[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C1CC1 ZINC001347679784 936892345 /nfs/dbraw/zinc/89/23/45/936892345.db2.gz IQRTWIONGDADTK-NSHDSACASA-N -1 3 290.269 3.069 20 30 CGEDHM CCCCN([O-])C(=O)Cc1coc2cc(F)ccc12 ZINC001161831885 931986358 /nfs/dbraw/zinc/98/63/58/931986358.db2.gz GZKIYCQGGTXJPM-UHFFFAOYSA-N -1 3 265.284 3.132 20 30 CGEDHM CCCCN([O-])C(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001161832517 931986526 /nfs/dbraw/zinc/98/65/26/931986526.db2.gz OXOMRIDSNNCBNT-UHFFFAOYSA-N -1 3 293.754 3.157 20 30 CGEDHM CC#C[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229097320 932093370 /nfs/dbraw/zinc/09/33/70/932093370.db2.gz SGNCBAIJLKMRPJ-VIFPVBQESA-N -1 3 285.137 3.041 20 30 CGEDHM CC[C@H](C)[C@H](OC)C(=O)N([O-])CCCCc1ccccc1 ZINC001306895922 932891748 /nfs/dbraw/zinc/89/17/48/932891748.db2.gz BEMWLRWDUBTZHM-HOCLYGCPSA-N -1 3 293.407 3.288 20 30 CGEDHM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N([O-])Cc1ccc(F)cc1 ZINC001306898626 932893659 /nfs/dbraw/zinc/89/36/59/932893659.db2.gz LGICFMWYDNJAQP-BTTYYORXSA-N -1 3 277.339 3.370 20 30 CGEDHM N#CCc1ccc(CNCc2ccc([O-])c(F)c2F)cc1 ZINC001308834499 933186968 /nfs/dbraw/zinc/18/69/68/933186968.db2.gz FMVYQWHEYOGOTB-UHFFFAOYSA-N -1 3 288.297 3.026 20 30 CGEDHM C=C[C@@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001466024332 937706005 /nfs/dbraw/zinc/70/60/05/937706005.db2.gz DJJLXQNITYTKKR-CQSZACIVSA-N -1 3 295.382 3.482 20 30 CGEDHM CC(C)(CC(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1 ZINC001471086486 937761512 /nfs/dbraw/zinc/76/15/12/937761512.db2.gz VLKIIXJQVXUMTI-UHFFFAOYSA-N -1 3 294.354 3.336 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)Oc1ccccc1Cl ZINC001472621534 937778261 /nfs/dbraw/zinc/77/82/61/937778261.db2.gz YLAZETLMCPZYIL-JTQLQIEISA-N -1 3 271.744 3.125 20 30 CGEDHM C#Cc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001472620346 937778539 /nfs/dbraw/zinc/77/85/39/937778539.db2.gz YJZBCPLFSCCXKU-UHFFFAOYSA-N -1 3 285.730 3.353 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC001472620640 937778666 /nfs/dbraw/zinc/77/86/66/937778666.db2.gz JVDOJDJOOBVTOI-GFCCVEGCSA-N -1 3 274.364 3.300 20 30 CGEDHM CC(C)[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC001472619731 937778681 /nfs/dbraw/zinc/77/86/81/937778681.db2.gz DMGRUGYXFPKWOZ-SNVBAGLBSA-N -1 3 255.745 3.350 20 30 CGEDHM O=C(c1occ2c1CCC2)N([O-])Cc1ccccc1Cl ZINC001559033510 938218945 /nfs/dbraw/zinc/21/89/45/938218945.db2.gz LRGQUILPKJLLFO-UHFFFAOYSA-N -1 3 291.734 3.453 20 30 CGEDHM C=C(Cl)CSc1cccc(-c2nnn[n-]2)c1Cl ZINC001573297478 962240222 /nfs/dbraw/zinc/24/02/22/962240222.db2.gz JDYVOGVUQPBBQN-UHFFFAOYSA-N -1 3 287.175 3.365 20 30 CGEDHM C=C(Cl)CSc1cccc(-c2nn[n-]n2)c1Cl ZINC001573297478 962240245 /nfs/dbraw/zinc/24/02/45/962240245.db2.gz JDYVOGVUQPBBQN-UHFFFAOYSA-N -1 3 287.175 3.365 20 30 CGEDHM CCCCCCCCNc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001577506430 962552180 /nfs/dbraw/zinc/55/21/80/962552180.db2.gz VYDCFUFKJJEOSG-UHFFFAOYSA-N -1 3 288.399 3.343 20 30 CGEDHM CCCCCCCCNc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001577506430 962552192 /nfs/dbraw/zinc/55/21/92/962552192.db2.gz VYDCFUFKJJEOSG-UHFFFAOYSA-N -1 3 288.399 3.343 20 30 CGEDHM N#Cc1cccc(O[N-]C(=O)C[C@@H]2CCc3ccccc32)c1 ZINC001587204879 963177715 /nfs/dbraw/zinc/17/77/15/963177715.db2.gz BRQWXWQCUQSAKK-HNNXBMFYSA-N -1 3 292.338 3.088 20 30 CGEDHM C=C(CC)CNc1cc(-c2nn[n-]n2)ccc1NCCC ZINC001588443072 963269539 /nfs/dbraw/zinc/26/95/39/963269539.db2.gz UOBRPJLVVPNWIE-UHFFFAOYSA-N -1 3 286.383 3.067 20 30 CGEDHM C=C[C@@H](N[C@@H](c1ccccc1)c1ccc(OC)cc1)C(=O)[O-] ZINC001588696842 963303022 /nfs/dbraw/zinc/30/30/22/963303022.db2.gz RRHZNUXLKOYIIK-SJORKVTESA-N -1 3 297.354 3.013 20 30 CGEDHM CC[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001595453397 981118893 /nfs/dbraw/zinc/11/88/93/981118893.db2.gz PQYVHYKPOOAUNV-CYBMUJFWSA-N -1 3 272.348 3.021 20 30 CGEDHM Cc1ccc(NC(=O)c2cccc(CC#N)c2)c([O-])c1 ZINC000044982431 345017747 /nfs/dbraw/zinc/01/77/47/345017747.db2.gz HSRQEEWCBRAHQQ-UHFFFAOYSA-N -1 3 266.300 3.019 20 30 CGEDHM N#Cc1cnc(NCc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000078020171 345588584 /nfs/dbraw/zinc/58/85/84/345588584.db2.gz GUDPCAOQZIQIBP-UHFFFAOYSA-N -1 3 277.686 3.063 20 30 CGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cocn1 ZINC000108239345 345936792 /nfs/dbraw/zinc/93/67/92/345936792.db2.gz AGOWCMMBKRHIBP-JTQLQIEISA-N -1 3 287.344 3.179 20 30 CGEDHM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1ccccn1 ZINC000123821414 346009974 /nfs/dbraw/zinc/00/99/74/346009974.db2.gz ORCHXKPNWNUPPJ-LBPRGKRZSA-N -1 3 281.702 3.097 20 30 CGEDHM CC(C)c1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000171145966 346203132 /nfs/dbraw/zinc/20/31/32/346203132.db2.gz JMASJALODBSKES-SNVBAGLBSA-N -1 3 271.345 3.152 20 30 CGEDHM CC[C@H](C#N)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000593683816 347103548 /nfs/dbraw/zinc/10/35/48/347103548.db2.gz BPAPXYCBJJFCMH-SNVBAGLBSA-N -1 3 260.337 3.178 20 30 CGEDHM CCc1cccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000610579347 348391130 /nfs/dbraw/zinc/39/11/30/348391130.db2.gz OXPWVCVLGNELPN-GFCCVEGCSA-N -1 3 294.354 3.317 20 30 CGEDHM N#Cc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000352025294 219292505 /nfs/dbraw/zinc/29/25/05/219292505.db2.gz DYUXYXVBVIAGCD-QPJJXVBHSA-N -1 3 263.300 3.102 20 30 CGEDHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000426755362 295804346 /nfs/dbraw/zinc/80/43/46/295804346.db2.gz YRFOAJLRVNIMFC-DYVFJYSZSA-N -1 3 294.354 3.110 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000096659736 370212754 /nfs/dbraw/zinc/21/27/54/370212754.db2.gz XJZRBQZXJRJIOK-UHFFFAOYSA-N -1 3 280.176 3.311 20 30 CGEDHM N#CCCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436824367 372840114 /nfs/dbraw/zinc/84/01/14/372840114.db2.gz GZGVWJAEMDXBLM-UHFFFAOYSA-N -1 3 294.354 3.017 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2oc(C)nc2C)s1 ZINC000175658138 373500433 /nfs/dbraw/zinc/50/04/33/373500433.db2.gz SMQQOGOAIOHTFO-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM CCC(CC)n1nc(C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000181035239 374072013 /nfs/dbraw/zinc/07/20/13/374072013.db2.gz KLZWLRAMTTYPHY-AWEZNQCLSA-N -1 3 296.374 3.438 20 30 CGEDHM CCCC1(CNC(=O)c2cc(F)cc3nn[n-]c32)CCC1 ZINC000328655126 374375051 /nfs/dbraw/zinc/37/50/51/374375051.db2.gz MMPQXTHYULGWRU-UHFFFAOYSA-N -1 3 290.342 3.372 20 30 CGEDHM CCCC1(CNC(=O)c2cc(F)cc3[n-]nnc32)CCC1 ZINC000328655126 374375053 /nfs/dbraw/zinc/37/50/53/374375053.db2.gz MMPQXTHYULGWRU-UHFFFAOYSA-N -1 3 290.342 3.372 20 30 CGEDHM CCCC1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCC1 ZINC000328655126 374375062 /nfs/dbraw/zinc/37/50/62/374375062.db2.gz MMPQXTHYULGWRU-UHFFFAOYSA-N -1 3 290.342 3.372 20 30 CGEDHM CC[C@@](C)(NC(=O)c1csc(=O)[n-]1)c1nc(C)cs1 ZINC000329906638 374440844 /nfs/dbraw/zinc/44/08/44/374440844.db2.gz KGOKLMKPZMQTOF-GFCCVEGCSA-N -1 3 297.405 3.244 20 30 CGEDHM Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000334526305 374821805 /nfs/dbraw/zinc/82/18/05/374821805.db2.gz CXGACXSFMKMTIX-LBPRGKRZSA-N -1 3 280.327 3.315 20 30 CGEDHM CCCO[N-]C(=O)/C=C/c1cn(CCC#N)c2ccccc12 ZINC000493628439 375477213 /nfs/dbraw/zinc/47/72/13/375477213.db2.gz KYYNYGVEGOAJEZ-CMDGGOBGSA-N -1 3 297.358 3.026 20 30 CGEDHM CCc1c(C)sc([N-]C(=O)c2oc(C)nc2C)c1C#N ZINC000336580299 375847776 /nfs/dbraw/zinc/84/77/76/375847776.db2.gz VSKPNKXRFHIUFQ-UHFFFAOYSA-N -1 3 289.360 3.348 20 30 CGEDHM Cc1cccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1[O-] ZINC000555902651 376860033 /nfs/dbraw/zinc/86/00/33/376860033.db2.gz LPAIILCEKMQMRA-KRWDZBQOSA-N -1 3 286.375 3.293 20 30 CGEDHM C=CCN(C(=O)c1cccc(OC)c1[O-])c1ccccc1 ZINC000641896928 380120019 /nfs/dbraw/zinc/12/00/19/380120019.db2.gz RRSLAAQEFBDGEX-UHFFFAOYSA-N -1 3 283.327 3.234 20 30 CGEDHM CC(C)(C#N)c1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000271830913 542366677 /nfs/dbraw/zinc/36/66/77/542366677.db2.gz RRWYRAICUOKFPE-UHFFFAOYSA-N -1 3 287.363 3.483 20 30 CGEDHM CC(C)(C#N)c1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000271830913 542366681 /nfs/dbraw/zinc/36/66/81/542366681.db2.gz RRWYRAICUOKFPE-UHFFFAOYSA-N -1 3 287.363 3.483 20 30 CGEDHM CC1(C)CCC(NC(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000328660190 542444633 /nfs/dbraw/zinc/44/46/33/542444633.db2.gz UYHUTPNZENXXBH-UHFFFAOYSA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCC(NC(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000328660190 542444635 /nfs/dbraw/zinc/44/46/35/542444635.db2.gz UYHUTPNZENXXBH-UHFFFAOYSA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCC(NC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000328660190 542444638 /nfs/dbraw/zinc/44/46/38/542444638.db2.gz UYHUTPNZENXXBH-UHFFFAOYSA-N -1 3 290.342 3.370 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(C)c(Cl)c1 ZINC000417615449 393350896 /nfs/dbraw/zinc/35/08/96/393350896.db2.gz XONUAUIPQMLZOH-LBPRGKRZSA-N -1 3 267.756 3.157 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)C)nc2)nc(C)n1 ZINC000435749040 393715378 /nfs/dbraw/zinc/71/53/78/393715378.db2.gz HZAHHXINPILDMS-CQSZACIVSA-N -1 3 294.358 3.102 20 30 CGEDHM CC[C@H](C)C[C@H](C)/N=C\c1ccc(O)c([O-])c1O ZINC000743043606 572635463 /nfs/dbraw/zinc/63/54/63/572635463.db2.gz XQWWADQOLIFGFA-MDWLTXIKSA-N -1 3 251.326 3.047 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)s1 ZINC000041562693 397611917 /nfs/dbraw/zinc/61/19/17/397611917.db2.gz PUJURZNKNRFJLG-ZDUSSCGKSA-N -1 3 285.372 3.262 20 30 CGEDHM Cc1cccc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000045571882 397625036 /nfs/dbraw/zinc/62/50/36/397625036.db2.gz XUEXQFWTXRYTMA-UHFFFAOYSA-N -1 3 298.268 3.353 20 30 CGEDHM Cc1cccc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000045571882 397625039 /nfs/dbraw/zinc/62/50/39/397625039.db2.gz XUEXQFWTXRYTMA-UHFFFAOYSA-N -1 3 298.268 3.353 20 30 CGEDHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1ccccn1 ZINC000049457232 416473047 /nfs/dbraw/zinc/47/30/47/416473047.db2.gz UZNKTCZBILWFLJ-CYBMUJFWSA-N -1 3 275.311 3.361 20 30 CGEDHM C=CCCC[C@@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652470261 418972650 /nfs/dbraw/zinc/97/26/50/418972650.db2.gz RJDYYQYFLYSJLL-CZUORRHYSA-N -1 3 273.376 3.415 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])oc1CC ZINC000659802315 418995330 /nfs/dbraw/zinc/99/53/30/418995330.db2.gz SRYTXBBBFUUITL-BETUJISGSA-N -1 3 275.348 3.223 20 30 CGEDHM CC(C)CC(C)(C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000084585159 260365909 /nfs/dbraw/zinc/36/59/09/260365909.db2.gz XXQCTUCIYPDXKB-UHFFFAOYSA-N -1 3 278.278 3.484 20 30 CGEDHM CC(C)CC(C)(C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000084585159 260365911 /nfs/dbraw/zinc/36/59/11/260365911.db2.gz XXQCTUCIYPDXKB-UHFFFAOYSA-N -1 3 278.278 3.484 20 30 CGEDHM CCc1nc([C@@H](C)/N=C/c2ccc(O)c([O-])c2O)cs1 ZINC000110129748 260646598 /nfs/dbraw/zinc/64/65/98/260646598.db2.gz SEGCEPLMCUVSFO-DZYDPXEMSA-N -1 3 292.360 3.002 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(F)c(C)c2)n1 ZINC000103635537 261285601 /nfs/dbraw/zinc/28/56/01/261285601.db2.gz YHRUWDJYIHWSCF-LLVKDONJSA-N -1 3 274.320 3.389 20 30 CGEDHM CC(C)CON=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000497313291 262140558 /nfs/dbraw/zinc/14/05/58/262140558.db2.gz KLNBZBLGAXZRQN-UHFFFAOYSA-N -1 3 299.396 3.497 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)c1cccc(F)c1 ZINC000294869033 263168495 /nfs/dbraw/zinc/16/84/95/263168495.db2.gz COSIIBDWKUFSAS-UHFFFAOYSA-N -1 3 271.282 3.388 20 30 CGEDHM CCn1nc(C)c(/C=C2\Cc3cccc([O-])c3C2=O)c1C ZINC000295975069 263184275 /nfs/dbraw/zinc/18/42/75/263184275.db2.gz QOHPOWZRQZHFDI-UKTHLTGXSA-N -1 3 282.343 3.048 20 30 CGEDHM C=CCCCCCN(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000120726402 263286889 /nfs/dbraw/zinc/28/68/89/263286889.db2.gz LPMCGJGPMVKPRY-UHFFFAOYSA-N -1 3 294.370 3.419 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@H](C)[C@H]2CCCOC2)c1 ZINC000330784354 264052523 /nfs/dbraw/zinc/05/25/23/264052523.db2.gz RSPZCJOWSTVZMY-YPMHNXCESA-N -1 3 277.364 3.074 20 30 CGEDHM Cc1ccc(C(=O)NC[C@@H]2CCO[C@H]2C(C)C)c([O-])c1 ZINC000331224241 264149556 /nfs/dbraw/zinc/14/95/56/264149556.db2.gz BDZAHXCEFKQDBR-WFASDCNBSA-N -1 3 277.364 3.066 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@H](CC)C2CCOCC2)c1 ZINC000331234126 264173472 /nfs/dbraw/zinc/17/34/72/264173472.db2.gz KFFDEQBPTAUUET-OAHLLOKOSA-N -1 3 291.391 3.464 20 30 CGEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000331298948 264198732 /nfs/dbraw/zinc/19/87/32/264198732.db2.gz DIVAXRRQDTZQKS-HIFRSBDPSA-N -1 3 275.348 3.164 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(SCC)c1 ZINC000417632764 264547364 /nfs/dbraw/zinc/54/73/64/264547364.db2.gz WYZIHQHBEGYMFS-ZDUSSCGKSA-N -1 3 279.405 3.308 20 30 CGEDHM C=CCSc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000362722617 267038703 /nfs/dbraw/zinc/03/87/03/267038703.db2.gz GVBFCKDGULBNLN-UHFFFAOYSA-N -1 3 286.356 3.318 20 30 CGEDHM CCc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1[O-] ZINC000557492245 289442805 /nfs/dbraw/zinc/44/28/05/289442805.db2.gz QHXSOBAVAXMKLL-GFCCVEGCSA-N -1 3 294.354 3.317 20 30 CGEDHM CCO[N-]C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000184010157 327823332 /nfs/dbraw/zinc/82/33/32/327823332.db2.gz FEDXNBRZEXANHP-JTQLQIEISA-N -1 3 279.365 3.011 20 30 CGEDHM Cc1ccc([O-])c(C(=O)NC2(CCO)CCCCC2)c1 ZINC000330999764 328472507 /nfs/dbraw/zinc/47/25/07/328472507.db2.gz UYVQSAIHOFKVKP-UHFFFAOYSA-N -1 3 277.364 3.091 20 30 CGEDHM C=CC1CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000582971335 329296339 /nfs/dbraw/zinc/29/63/39/329296339.db2.gz YABOVWKJLTVQCW-SNVBAGLBSA-N -1 3 263.337 3.245 20 30 CGEDHM CCc1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000049004997 329633779 /nfs/dbraw/zinc/63/37/79/329633779.db2.gz HBKVNPFKIQMDNV-NSHDSACASA-N -1 3 256.330 3.196 20 30 CGEDHM CCC(C#N)(CC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000528162588 330310271 /nfs/dbraw/zinc/31/02/71/330310271.db2.gz BXTQSKBNBAGUMC-UHFFFAOYSA-N -1 3 287.319 3.032 20 30 CGEDHM C=C1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459343246 331277068 /nfs/dbraw/zinc/27/70/68/331277068.db2.gz HNMQOZOXQIWVGL-UHFFFAOYSA-N -1 3 281.359 3.001 20 30 CGEDHM CCc1cc(C(=O)NCC(C)(C)CCC#N)ccc1[O-] ZINC000489867598 332071124 /nfs/dbraw/zinc/07/11/24/332071124.db2.gz BSELGZXAJLDCCM-UHFFFAOYSA-N -1 3 274.364 3.014 20 30 CGEDHM C#C[C@@H](C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000491664234 332273227 /nfs/dbraw/zinc/27/32/27/332273227.db2.gz NVQLWIJULFTLOG-CQSZACIVSA-N -1 3 293.366 3.077 20 30 CGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000088474833 333089333 /nfs/dbraw/zinc/08/93/33/333089333.db2.gz KDPNXUXAQHNUGE-ZDUSSCGKSA-N -1 3 280.393 3.028 20 30 CGEDHM C=CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000550013135 334211538 /nfs/dbraw/zinc/21/15/38/334211538.db2.gz BSQHITOVVKZZPG-RMKNXTFCSA-N -1 3 268.316 3.226 20 30 CGEDHM C=C[C@@](C)(CC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000567474823 334723453 /nfs/dbraw/zinc/72/34/53/334723453.db2.gz SNYHENVNXUPLTI-HNNXBMFYSA-N -1 3 261.321 3.136 20 30 CGEDHM C=C(C)C(C)(C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000568884794 334845295 /nfs/dbraw/zinc/84/52/95/334845295.db2.gz AURQALRGWYOHKI-UHFFFAOYSA-N -1 3 261.321 3.136 20 30 CGEDHM Cc1c(C#N)cccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436580543 533715965 /nfs/dbraw/zinc/71/59/65/533715965.db2.gz BUBKWNWBCXKDJK-UHFFFAOYSA-N -1 3 277.283 3.289 20 30 CGEDHM Cc1ccc2snc(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000344739218 534548333 /nfs/dbraw/zinc/54/83/33/534548333.db2.gz MUALMDUVRNFWEX-LBPRGKRZSA-N -1 3 293.351 3.490 20 30 CGEDHM C=CCN(Cc1c(F)ccc([O-])c1F)CC(F)(F)F ZINC000350679936 526332149 /nfs/dbraw/zinc/33/21/49/526332149.db2.gz BLSDNEPEDDCKCH-UHFFFAOYSA-N -1 3 281.224 3.221 20 30 CGEDHM CC(C)c1cccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000354506761 528162087 /nfs/dbraw/zinc/16/20/87/528162087.db2.gz IOTMUJOIYFSPBZ-LBPRGKRZSA-N -1 3 265.316 3.090 20 30 CGEDHM COc1cc(C=NNc2ccc(C)cn2)cc(Cl)c1[O-] ZINC000727263247 571736905 /nfs/dbraw/zinc/73/69/05/571736905.db2.gz TZNWEPLVWYFZSX-UHFFFAOYSA-N -1 3 291.738 3.204 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@H](C)c1nc(C)cs1 ZINC000727653372 571760889 /nfs/dbraw/zinc/76/08/89/571760889.db2.gz MGQPKEIKKMJSCV-MIJYTDESSA-N -1 3 276.361 3.346 20 30 CGEDHM CCCC[C@@H]1CCC[C@H]1/N=C\c1c([O-])c(C)ncc1CO ZINC000727781909 571769089 /nfs/dbraw/zinc/76/90/89/571769089.db2.gz ZPMQJXAYCUSJNF-WJYNFUASSA-N -1 3 290.407 3.366 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC(C)(C)C)nc1-2 ZINC000750727894 571779263 /nfs/dbraw/zinc/77/92/63/571779263.db2.gz ATQIRTQTXHMVTO-XOIDGJRKSA-N -1 3 282.347 3.045 20 30 CGEDHM CC(=NNCc1ccccc1)c1ccc([O-])c(F)c1 ZINC000728427299 571804886 /nfs/dbraw/zinc/80/48/86/571804886.db2.gz BOQSZALQAHFTJZ-UHFFFAOYSA-N -1 3 258.296 3.045 20 30 CGEDHM CC1(C)[C@H](/N=C\c2ccccc2[O-])[C@@H]2CCCO[C@H]21 ZINC000741463346 572412459 /nfs/dbraw/zinc/41/24/59/572412459.db2.gz DIALJEPWRDFLRU-RRXYULTRSA-N -1 3 259.349 3.015 20 30 CGEDHM CCOc1ccc(/C=N\C[C@H](O)c2ccsc2)c([O-])c1 ZINC000739425680 572414292 /nfs/dbraw/zinc/41/42/92/572414292.db2.gz GYIWDCRPSMRVKE-CRNMQVKPSA-N -1 3 291.372 3.005 20 30 CGEDHM Cc1ccc(F)c2c1C(=NNc1ccc(F)cc1)C(=O)[N-]2 ZINC000732710199 572477940 /nfs/dbraw/zinc/47/79/40/572477940.db2.gz HJOCQRNZHXMCGG-UHFFFAOYSA-N -1 3 287.269 3.042 20 30 CGEDHM Cc1ccc(F)c2c1C(=NNc1cccc(F)c1)C(=O)[N-]2 ZINC000732712416 572478615 /nfs/dbraw/zinc/47/86/15/572478615.db2.gz GRMZUNIRYNKMOX-UHFFFAOYSA-N -1 3 287.269 3.042 20 30 CGEDHM C#CCOc1ccccc1C/N=C/c1c([O-])cccc1OC ZINC000734096958 572630025 /nfs/dbraw/zinc/63/00/25/572630025.db2.gz UZMSILMDKOZKIF-CPNJWEJPSA-N -1 3 295.338 3.032 20 30 CGEDHM C=CCCCSCc1ccc(-c2nnn[n-]2)cc1F ZINC000735413241 572717533 /nfs/dbraw/zinc/71/75/33/572717533.db2.gz QVSDNUKULGHXFS-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=CCCCSCc1ccc(-c2nn[n-]n2)cc1F ZINC000735413241 572717536 /nfs/dbraw/zinc/71/75/36/572717536.db2.gz QVSDNUKULGHXFS-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1sccc1C ZINC000735450879 572721515 /nfs/dbraw/zinc/72/15/15/572721515.db2.gz HZELIDQSHSLUNB-UHFFFAOYSA-N -1 3 298.375 3.073 20 30 CGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1sccc1C ZINC000735450879 572721518 /nfs/dbraw/zinc/72/15/18/572721518.db2.gz HZELIDQSHSLUNB-UHFFFAOYSA-N -1 3 298.375 3.073 20 30 CGEDHM CC[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000736920300 572825146 /nfs/dbraw/zinc/82/51/46/572825146.db2.gz QOHYCVPGDFLTKR-IRXDYDNUSA-N -1 3 294.354 3.425 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000745977177 572845991 /nfs/dbraw/zinc/84/59/91/572845991.db2.gz PZPGQWWKTOSAQO-KOILDRITSA-N -1 3 277.364 3.023 20 30 CGEDHM COC[C@@H](Cc1ccccc1)/N=C/c1ccccc1[O-] ZINC000746817162 572897677 /nfs/dbraw/zinc/89/76/77/572897677.db2.gz XIGFSOAEIPYGLR-YAJBTMAUSA-N -1 3 269.344 3.069 20 30 CGEDHM CC(C)CON=Cc1cc([O-])ccc1Br ZINC000749636423 573026811 /nfs/dbraw/zinc/02/68/11/573026811.db2.gz ITHHAZYSFKLVFP-UHFFFAOYSA-N -1 3 272.142 3.161 20 30 CGEDHM O=C1c2cc(F)ccc2O/C1=C/c1ccc([O-])cc1 ZINC000749746027 573029765 /nfs/dbraw/zinc/02/97/65/573029765.db2.gz KOTSWKVTVYRXBP-VGOFMYFVSA-N -1 3 256.232 3.148 20 30 CGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCCC(C)(C)C#N ZINC000822130605 607329506 /nfs/dbraw/zinc/32/95/06/607329506.db2.gz XFKHYYZYTSQIAM-UHFFFAOYSA-N -1 3 299.378 3.192 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCOC(F)(F)F ZINC000788674787 629071984 /nfs/dbraw/zinc/07/19/84/629071984.db2.gz PEUVCONGXOVHOM-UUASQNMZSA-N -1 3 267.634 3.001 20 30 CGEDHM CC1(C)CCCC(=Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820590277 606860166 /nfs/dbraw/zinc/86/01/66/606860166.db2.gz RGDXPKIVGOTIKF-XFXZXTDPSA-N -1 3 282.347 3.029 20 30 CGEDHM CC1(C)CCCC(=Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820590277 606860167 /nfs/dbraw/zinc/86/01/67/606860167.db2.gz RGDXPKIVGOTIKF-XFXZXTDPSA-N -1 3 282.347 3.029 20 30 CGEDHM [O-]c1ccc(Br)cc1C=NOC/C=C\Cl ZINC000811670463 617711010 /nfs/dbraw/zinc/71/10/10/617711010.db2.gz STEBICIJBOJXBH-HDFQWQTNSA-N -1 3 290.544 3.258 20 30 CGEDHM O=C(Cc1c[nH]c2ccccc12)N([O-])Cc1ccc(F)cc1 ZINC000900096101 620762014 /nfs/dbraw/zinc/76/20/14/620762014.db2.gz RTNLHDWYHCNWQW-UHFFFAOYSA-N -1 3 298.317 3.268 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(C)c(Cl)c1 ZINC000846543434 618091607 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ZINC000901375111 620867878 /nfs/dbraw/zinc/86/78/78/620867878.db2.gz DEWCNMYFNFLZFC-INIZCTEOSA-N -1 3 299.345 3.349 20 30 CGEDHM O=C(c1cccc2cc[nH]c21)N([O-])Cc1ccc(F)cc1 ZINC000901376456 620868425 /nfs/dbraw/zinc/86/84/25/620868425.db2.gz SVSVQKCDLBUZQH-UHFFFAOYSA-N -1 3 284.290 3.339 20 30 CGEDHM Cc1cc(C)cc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901378740 620869196 /nfs/dbraw/zinc/86/91/96/620869196.db2.gz KNOSEDLDHWLBEU-UHFFFAOYSA-N -1 3 273.307 3.474 20 30 CGEDHM Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)c([O-])c1 ZINC000073142167 625461017 /nfs/dbraw/zinc/46/10/17/625461017.db2.gz YQASSWCGSNSTDJ-VQHVLOKHSA-N -1 3 278.311 3.224 20 30 CGEDHM N#CCCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180394 621881191 /nfs/dbraw/zinc/88/11/91/621881191.db2.gz LBAYGOOICILYNO-UHFFFAOYSA-N -1 3 287.146 3.405 20 30 CGEDHM O=C(CSC1CC1)N([O-])Cc1cccc2ccccc21 ZINC000904170719 621883904 /nfs/dbraw/zinc/88/39/04/621883904.db2.gz FZCRFIDIPCTWII-UHFFFAOYSA-N -1 3 287.384 3.453 20 30 CGEDHM CC[C@@H](CC(F)F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177319 621885408 /nfs/dbraw/zinc/88/54/08/621885408.db2.gz AWLXGIALBKDPMV-JTQLQIEISA-N -1 3 275.270 3.225 20 30 CGEDHM CCCCN([O-])C(=O)Cc1csc(C(C)(C)C)n1 ZINC000904210381 621886288 /nfs/dbraw/zinc/88/62/88/621886288.db2.gz NNJHHKIYEVLHJC-UHFFFAOYSA-N -1 3 270.398 3.001 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2cnc(C3CC3)o2)s1 ZINC000888352495 625717427 /nfs/dbraw/zinc/71/74/27/625717427.db2.gz VROCWHRVCKSPES-UHFFFAOYSA-N -1 3 287.344 3.300 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)OCC3(C#N)CCCC3)n[n-]2)o1 ZINC000183859328 625154908 /nfs/dbraw/zinc/15/49/08/625154908.db2.gz PXTNWGXDMUKDDN-UHFFFAOYSA-N -1 3 299.330 3.219 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)OCC3(C#N)CCCC3)[n-]n2)o1 ZINC000183859328 625154915 /nfs/dbraw/zinc/15/49/15/625154915.db2.gz PXTNWGXDMUKDDN-UHFFFAOYSA-N -1 3 299.330 3.219 20 30 CGEDHM CC1CC(/N=C/c2cc(Br)ccc2[O-])C1 ZINC000751889420 626409188 /nfs/dbraw/zinc/40/91/88/626409188.db2.gz BHKAAWNRTQBGKN-VGOFMYFVSA-N -1 3 268.154 3.372 20 30 CGEDHM C=CCCCCCCCNC(=O)c1cccc2n[n-]nc21 ZINC000752986772 626443218 /nfs/dbraw/zinc/44/32/18/626443218.db2.gz UVURDEUVSXXAIN-UHFFFAOYSA-N -1 3 286.379 3.214 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=C2CC[C@H](C)C2)nc(C)n1 ZINC000753800638 626466305 /nfs/dbraw/zinc/46/63/05/626466305.db2.gz XOUMZANTLWPMRZ-CNPFRCOSSA-N -1 3 269.348 3.016 20 30 CGEDHM N#Cc1ccc(Cl)c(N=Cc2cccc([O-])c2O)c1 ZINC000755030786 626597385 /nfs/dbraw/zinc/59/73/85/626597385.db2.gz DAMCQLMXRIPOFC-UHFFFAOYSA-N -1 3 272.691 3.373 20 30 CGEDHM CCOC(=O)CC[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000760227842 626945820 /nfs/dbraw/zinc/94/58/20/626945820.db2.gz AFINVZUUBTXSJT-XBTXGSBDSA-N -1 3 283.755 3.196 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cccc3nccn32)ccc1[O-] ZINC000769608532 627569441 /nfs/dbraw/zinc/56/94/41/627569441.db2.gz CTIRDEATVAWDIU-SOFGYWHQSA-N -1 3 278.311 3.244 20 30 CGEDHM CC(=NN=c1cc[n-]n1C)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000774414314 627986522 /nfs/dbraw/zinc/98/65/22/627986522.db2.gz YQHJTINXDGILEM-CHWSQXEVSA-N -1 3 288.782 3.087 20 30 CGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(F)nc1 ZINC000777467874 628275021 /nfs/dbraw/zinc/27/50/21/628275021.db2.gz NLMGOVALXWHWMN-QMEHYBMDSA-N -1 3 287.265 3.449 20 30 CGEDHM CC1(C)Cc2cccc(N=Cc3ccc(O)c([O-])c3O)c2O1 ZINC000788674600 629072020 /nfs/dbraw/zinc/07/20/20/629072020.db2.gz LTWFIQHJKRFNFG-UHFFFAOYSA-N -1 3 299.326 3.268 20 30 CGEDHM CC[C@@H](C)NN=C(C)c1cc(Br)ccc1[O-] ZINC000790190389 629191737 /nfs/dbraw/zinc/19/17/37/629191737.db2.gz UYJHAFOPDKPDSV-MRVPVSSYSA-N -1 3 285.185 3.267 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cnc2n1CCCC2 ZINC000790573059 629218902 /nfs/dbraw/zinc/21/89/02/629218902.db2.gz BZDSBDJLRIOAGC-IUXPMGMMSA-N -1 3 289.766 3.198 20 30 CGEDHM COCCC(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863125386 629480633 /nfs/dbraw/zinc/48/06/33/629480633.db2.gz UZGGLFWOJGEJDN-UHFFFAOYSA-N -1 3 276.365 3.117 20 30 CGEDHM C[C@H]1C[C@H]1CN=Nc1nc2ccccc2[n-]c1=S ZINC000863128218 629481538 /nfs/dbraw/zinc/48/15/38/629481538.db2.gz IBLNMQHHRMGVBZ-IUCAKERBSA-N -1 3 258.350 3.346 20 30 CGEDHM COCC(N=Nc1nc2ccccc2[n-]c1=S)C1CC1 ZINC000863127869 629481586 /nfs/dbraw/zinc/48/15/86/629481586.db2.gz ABSDVVURFOXKRQ-UHFFFAOYSA-N -1 3 288.376 3.117 20 30 CGEDHM [O-]c1ccc(F)c(C=NNc2cccc(F)c2)c1F ZINC000794498296 629547327 /nfs/dbraw/zinc/54/73/27/629547327.db2.gz SXOTVZOWCAPROM-UHFFFAOYSA-N -1 3 266.222 3.256 20 30 CGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccco1 ZINC000794941796 629604117 /nfs/dbraw/zinc/60/41/17/629604117.db2.gz YMJMHRKZVCLYAT-HYXAFXHYSA-N -1 3 250.200 3.160 20 30 CGEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000797549058 629957604 /nfs/dbraw/zinc/95/76/04/629957604.db2.gz UJGIVUCHGYVBHF-AWEZNQCLSA-N -1 3 296.326 3.112 20 30 CGEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000802048112 630375382 /nfs/dbraw/zinc/37/53/82/630375382.db2.gz LSYRNWJBLABXNZ-GFCCVEGCSA-N -1 3 291.310 3.330 20 30 CGEDHM Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc([O-])c(F)c1 ZINC000807991080 630612584 /nfs/dbraw/zinc/61/25/84/630612584.db2.gz RRXOQJLXPPUUTD-UHFFFAOYSA-N 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XTXXUUZVLZSUFL-UHFFFAOYSA-N -1 3 265.328 3.310 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1c[nH]c2ccccc12 ZINC000400817414 799550270 /nfs/dbraw/zinc/55/02/70/799550270.db2.gz BGVRPXIWQFSUSP-GFCCVEGCSA-N -1 3 272.348 3.113 20 30 CGEDHM Cc1cc(F)cc(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001122632127 802877461 /nfs/dbraw/zinc/87/74/61/802877461.db2.gz PVSJALJXQXPVJP-GFCCVEGCSA-N -1 3 272.254 3.158 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccsc1Cl ZINC001123234641 802920097 /nfs/dbraw/zinc/92/00/97/802920097.db2.gz ZDGPUXXCTSQHIS-VIFPVBQESA-N -1 3 279.752 3.108 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccc(CO)c(Cl)c2)c1 ZINC001243819497 803031237 /nfs/dbraw/zinc/03/12/37/803031237.db2.gz MUCHZLWSBDSJLO-LZYBPNLTSA-N -1 3 261.708 3.307 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccnc(OCC3CC3)c2)c1 ZINC001243919718 803075643 /nfs/dbraw/zinc/07/56/43/803075643.db2.gz BQOLIZZSZMSGQK-VCHYOVAHSA-N -1 3 268.316 3.346 20 30 CGEDHM COC(=O)c1cc(C#N)cc(-c2c([O-])cccc2Cl)c1 ZINC001244047979 803160471 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/nfs/dbraw/zinc/05/02/22/815050222.db2.gz CMDBBGNTHYECKR-UHFFFAOYSA-N -1 3 296.326 3.113 20 30 CGEDHM Cc1scc(C(=O)Nc2ccc([O-])c(C#N)c2)c1C ZINC001147521612 805135813 /nfs/dbraw/zinc/13/58/13/805135813.db2.gz JLXZTMAJFDDWFZ-UHFFFAOYSA-N -1 3 272.329 3.195 20 30 CGEDHM Cn1ccc2cc(C(=O)Nc3ccc([O-])c(C#N)c3)ccc21 ZINC001149231063 805227353 /nfs/dbraw/zinc/22/73/53/805227353.db2.gz FCFBPIHKOXKBOA-UHFFFAOYSA-N -1 3 291.310 3.008 20 30 CGEDHM Cc1nc2cc(Nc3scc([O-])c3C#N)ccc2[nH]1 ZINC001213071545 815219155 /nfs/dbraw/zinc/21/91/55/815219155.db2.gz XPAJDEUEZKLWFC-UHFFFAOYSA-N -1 3 270.317 3.254 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cnn(Cc3ccccc3)c2)c1 ZINC001174133817 808883127 /nfs/dbraw/zinc/88/31/27/808883127.db2.gz YLJBGOLGWOKDTE-UHFFFAOYSA-N -1 3 290.326 3.252 20 30 CGEDHM N#Cc1ccc(Nc2cccc(Cl)c2[O-])c(N)c1 ZINC001213358351 815269353 /nfs/dbraw/zinc/26/93/53/815269353.db2.gz WQTZQUYQPWAEJX-UHFFFAOYSA-N -1 3 259.696 3.243 20 30 CGEDHM COc1cccc(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001174994528 809231603 /nfs/dbraw/zinc/23/16/03/809231603.db2.gz UTPGGQKKZYEFLD-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1cc(Cl)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428966 809401655 /nfs/dbraw/zinc/40/16/55/809401655.db2.gz CZPVSYFGRQAUIT-UHFFFAOYSA-N -1 3 296.721 3.135 20 30 CGEDHM CCCCCCN([O-])C(=O)c1nc2cnccc2s1 ZINC001184305256 810189750 /nfs/dbraw/zinc/18/97/50/810189750.db2.gz BNESRKZZAOLVJE-UHFFFAOYSA-N -1 3 279.365 3.103 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001184305945 810189854 /nfs/dbraw/zinc/18/98/54/810189854.db2.gz XRNMYDOADJOCAX-INIZCTEOSA-N -1 3 291.391 3.405 20 30 CGEDHM N#Cc1cnc(Sc2ccccc2[O-])c(Cl)c1 ZINC001187256898 810392524 /nfs/dbraw/zinc/39/25/24/810392524.db2.gz RVQHEWRFFGOWBP-UHFFFAOYSA-N -1 3 262.721 3.463 20 30 CGEDHM CCc1cccc(C)c1NC(=O)[N-]c1oncc1C#N ZINC001189947619 810596018 /nfs/dbraw/zinc/59/60/18/810596018.db2.gz IOMNWOYLGMCGBK-UHFFFAOYSA-N -1 3 270.292 3.061 20 30 CGEDHM C=CCC1(S(=O)(=O)[N-]c2csc3ncccc23)CC1 ZINC001190766184 810647451 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/nfs/dbraw/zinc/60/21/07/814602107.db2.gz HZSJLXNVVOBMOL-UHFFFAOYSA-N -1 3 290.120 3.165 20 30 CGEDHM COc1ncc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001211048605 814722059 /nfs/dbraw/zinc/72/20/59/814722059.db2.gz ZMWPGAGOTWHPQR-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM COc1ncc(Nc2ccc(Cl)c(F)c2C#N)cc1[O-] ZINC001216210642 815739512 /nfs/dbraw/zinc/73/95/12/815739512.db2.gz NIOWIMRVOOWBJT-UHFFFAOYSA-N -1 3 293.685 3.204 20 30 CGEDHM COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(C)n1 ZINC001242929220 823175936 /nfs/dbraw/zinc/17/59/36/823175936.db2.gz LNSOBWMXARGPEI-SDXDJHTJSA-N -1 3 268.316 3.190 20 30 CGEDHM N#CC1(c2ccnc(-c3ccc(F)c([O-])c3)c2)CC1 ZINC001243048053 823224592 /nfs/dbraw/zinc/22/45/92/823224592.db2.gz DQEVNPFMGVDCFZ-UHFFFAOYSA-N -1 3 254.264 3.148 20 30 CGEDHM N#CC1(c2ccc(-c3ccc(F)c([O-])c3)nc2)CCOCC1 ZINC001243050522 823227635 /nfs/dbraw/zinc/22/76/35/823227635.db2.gz WCCHJHYPICPMFG-UHFFFAOYSA-N -1 3 298.317 3.165 20 30 CGEDHM N#C[C@@H](Oc1ccc2c([O-])coc2c1)c1cccc(F)c1 ZINC001225340479 817017843 /nfs/dbraw/zinc/01/78/43/817017843.db2.gz OAYPOXZDBRCYND-MRXNPFEDSA-N -1 3 283.258 3.044 20 30 CGEDHM C=CC[C@H](CCCC)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225468732 817062689 /nfs/dbraw/zinc/06/26/89/817062689.db2.gz SLSOPNNTJVNJQK-GFCCVEGCSA-N -1 3 260.337 3.481 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccccc2C)[n-]1 ZINC001225470156 817063493 /nfs/dbraw/zinc/06/34/93/817063493.db2.gz SMCJBRUHYCVQEK-LBPRGKRZSA-N -1 3 268.316 3.416 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668064 817134652 /nfs/dbraw/zinc/13/46/52/817134652.db2.gz YHOMLEGQWSWFLG-JTQLQIEISA-N -1 3 266.297 3.209 20 30 CGEDHM C#C[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccccc1 ZINC001226482544 817371302 /nfs/dbraw/zinc/37/13/02/817371302.db2.gz OZKVIZWFIYWCQZ-OAHLLOKOSA-N -1 3 282.295 3.054 20 30 CGEDHM Cc1cc(O[C@H](CC#N)c2ccccc2)[n-]c(=S)n1 ZINC001226797309 817468129 /nfs/dbraw/zinc/46/81/29/817468129.db2.gz APOGIDGEGSLRIT-GFCCVEGCSA-N -1 3 271.345 3.108 20 30 CGEDHM CCc1cnc(=S)[n-]c1O[C@H](C#N)c1cccc(F)c1 ZINC001227064329 817547824 /nfs/dbraw/zinc/54/78/24/817547824.db2.gz RPXNOQRIDOMMQS-GFCCVEGCSA-N -1 3 289.335 3.110 20 30 CGEDHM CCc1cnc(=S)[n-]c1O[C@H](C#N)c1ccccc1F ZINC001227065141 817547907 /nfs/dbraw/zinc/54/79/07/817547907.db2.gz ZWIFGGVYDVZZNS-GFCCVEGCSA-N -1 3 289.335 3.110 20 30 CGEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1cccnc1Cl ZINC001227347016 817628901 /nfs/dbraw/zinc/62/89/01/817628901.db2.gz ZAZVGEFZDJNYOM-VIFPVBQESA-N -1 3 274.707 3.452 20 30 CGEDHM COc1ccc(OC)c([C@H](C)Oc2cc(C#N)ccc2[O-])c1 ZINC001227350230 817629746 /nfs/dbraw/zinc/62/97/46/817629746.db2.gz LQWJRJGAFPOSRP-NSHDSACASA-N -1 3 299.326 3.421 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H](C#N)c2ccccc2F)c1 ZINC001227350448 817629816 /nfs/dbraw/zinc/62/98/16/817629816.db2.gz MZRKUNUKXMINJJ-HNNXBMFYSA-N -1 3 268.247 3.047 20 30 CGEDHM COc1cccc(OC[C@H](C)Oc2cc(C#N)ccc2[O-])c1 ZINC001227350507 817630059 /nfs/dbraw/zinc/63/00/59/817630059.db2.gz NSJGARVNPXQFML-LBPRGKRZSA-N -1 3 299.326 3.119 20 30 CGEDHM C=C[C@H](CCC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744189 817710643 /nfs/dbraw/zinc/71/06/43/817710643.db2.gz DUMVHFKOXDQDKM-SNVBAGLBSA-N -1 3 261.281 3.205 20 30 CGEDHM C=C[C@H](CCC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744189 817710648 /nfs/dbraw/zinc/71/06/48/817710648.db2.gz DUMVHFKOXDQDKM-SNVBAGLBSA-N -1 3 261.281 3.205 20 30 CGEDHM C=C[C@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228351424 817884651 /nfs/dbraw/zinc/88/46/51/817884651.db2.gz HQBIWJBFKAJRDE-JTQLQIEISA-N -1 3 258.346 3.386 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698783 817980212 /nfs/dbraw/zinc/98/02/12/817980212.db2.gz SIUUAPNONATWRZ-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698783 817980214 /nfs/dbraw/zinc/98/02/14/817980214.db2.gz SIUUAPNONATWRZ-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698783 817980221 /nfs/dbraw/zinc/98/02/21/817980221.db2.gz SIUUAPNONATWRZ-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM CCCCCCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563984 818125062 /nfs/dbraw/zinc/12/50/62/818125062.db2.gz MOWCLIXRLZTARK-UHFFFAOYSA-N -1 3 279.380 3.493 20 30 CGEDHM CCCCCCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563984 818125066 /nfs/dbraw/zinc/12/50/66/818125066.db2.gz MOWCLIXRLZTARK-UHFFFAOYSA-N -1 3 279.380 3.493 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@H]1CCCC[C@@H]1F ZINC001233525827 818633611 /nfs/dbraw/zinc/63/36/11/818633611.db2.gz XGKKESYXGDSUCV-WFASDCNBSA-N -1 3 261.296 3.442 20 30 CGEDHM CO[C@@H](COc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234138677 818787691 /nfs/dbraw/zinc/78/76/91/818787691.db2.gz CUVWLKKTSKSPDZ-INIZCTEOSA-N -1 3 269.300 3.030 20 30 CGEDHM C=CC[C@@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234148252 818791984 /nfs/dbraw/zinc/79/19/84/818791984.db2.gz GEIGHQOUTACZKJ-CQSZACIVSA-N -1 3 283.327 3.187 20 30 CGEDHM C#C[C@H](CCCC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792496 818923819 /nfs/dbraw/zinc/92/38/19/818923819.db2.gz BYDKASUBXKCJOZ-CYBMUJFWSA-N -1 3 290.359 3.483 20 30 CGEDHM CC1(C#N)CN(Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234985996 818970825 /nfs/dbraw/zinc/97/08/25/818970825.db2.gz AMHCIZNEDMWFMP-UHFFFAOYSA-N -1 3 278.355 3.405 20 30 CGEDHM COC(=O)c1ccc(-c2cc([O-])cc(Cl)c2)c(C#N)c1 ZINC001235903842 819213731 /nfs/dbraw/zinc/21/37/31/819213731.db2.gz JJKZMJHPZGDBRM-UHFFFAOYSA-N -1 3 287.702 3.371 20 30 CGEDHM COc1nc(C)c(-c2c(F)ccc(C)c2[O-])c(C)c1C#N ZINC001236402637 819452314 /nfs/dbraw/zinc/45/23/14/819452314.db2.gz CUSLWPXIDAPNEJ-UHFFFAOYSA-N -1 3 286.306 3.399 20 30 CGEDHM N#C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237622022 819789153 /nfs/dbraw/zinc/78/91/53/819789153.db2.gz LVJMMOKXZQMJNY-SNVBAGLBSA-N -1 3 282.746 3.310 20 30 CGEDHM N#CCOc1cc(F)ccc1-c1cccc([O-])c1F ZINC001243544929 823437275 /nfs/dbraw/zinc/43/72/75/823437275.db2.gz KMONRBPRUHGRFZ-UHFFFAOYSA-N -1 3 261.227 3.240 20 30 CGEDHM O=c1[nH]c2ccccc2cc1-c1cccc(C=N[O-])c1 ZINC001238882833 820146893 /nfs/dbraw/zinc/14/68/93/820146893.db2.gz PGOGRGXYNFUWMI-LICLKQGHSA-N -1 3 264.284 3.416 20 30 CGEDHM CC(=O)Nc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001239530864 820382501 /nfs/dbraw/zinc/38/25/01/820382501.db2.gz JRIQFSNPWVDEHV-RQZCQDPDSA-N -1 3 272.279 3.259 20 30 CGEDHM N#CC1(c2ccc(-c3cc([O-])cc(F)c3)nc2)CC1 ZINC001241256099 821675756 /nfs/dbraw/zinc/67/57/56/821675756.db2.gz NGNTURNINGLQRS-UHFFFAOYSA-N -1 3 254.264 3.148 20 30 CGEDHM Cc1cc(-c2cc(/C=N/[O-])ccc2F)cc(C)c1N ZINC001241885648 822195233 /nfs/dbraw/zinc/19/52/33/822195233.db2.gz IBLCMPSDMJQXAR-QGMBQPNBSA-N -1 3 258.296 3.500 20 30 CGEDHM COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cc1O ZINC001242175467 822903267 /nfs/dbraw/zinc/90/32/67/822903267.db2.gz MNYCTLBFLXFVBX-VKAVYKQESA-N -1 3 269.300 3.192 20 30 CGEDHM CO/N=C/c1cc(-c2ccc(F)cc2[O-])ccc1F ZINC001242219570 822916378 /nfs/dbraw/zinc/91/63/78/822916378.db2.gz KYOYCDDDMBLFNX-CAOOACKPSA-N -1 3 263.243 3.318 20 30 CGEDHM COC(=O)c1ccc(-c2cccc(F)c2[O-])cc1CC#N ZINC001242352663 822962608 /nfs/dbraw/zinc/96/26/08/822962608.db2.gz MMNXBFNCVHWTAT-UHFFFAOYSA-N -1 3 285.274 3.051 20 30 CGEDHM Cc1cc(-c2ccc3c(c2)CC/C3=N/[O-])cnc1C#N ZINC001242358568 822965670 /nfs/dbraw/zinc/96/56/70/822965670.db2.gz PRULBZQTZXRWRC-CYVLTUHYSA-N -1 3 263.300 3.053 20 30 CGEDHM Cn1cncc1-c1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565527 823036273 /nfs/dbraw/zinc/03/62/73/823036273.db2.gz IVPRKWLADJSBDP-UHFFFAOYSA-N -1 3 275.311 3.331 20 30 CGEDHM CC(C)(C)ON=Cc1cc(Br)ccc1[O-] ZINC001341311196 936434132 /nfs/dbraw/zinc/43/41/32/936434132.db2.gz XFTLDBCRTQTONG-UHFFFAOYSA-N -1 3 272.142 3.304 20 30 CGEDHM C=CC(C=C)Oc1cccc([O-])c1Br ZINC001229143873 927323831 /nfs/dbraw/zinc/32/38/31/927323831.db2.gz XVWKJRZUDQDZOP-UHFFFAOYSA-N -1 3 255.111 3.274 20 30 CGEDHM C=C(C)c1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001420478772 937246278 /nfs/dbraw/zinc/24/62/78/937246278.db2.gz ASFNOPREHPHTOB-UHFFFAOYSA-N -1 3 295.342 3.345 20 30 CGEDHM N#Cc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)o1 ZINC001458020203 937448382 /nfs/dbraw/zinc/44/83/82/937448382.db2.gz ZLLCOZYYPDRCOZ-UHFFFAOYSA-N -1 3 292.294 3.336 20 30 CGEDHM CCCCN([O-])C(=O)CCC(=O)c1ccc(OCC)cc1 ZINC001458009729 937448761 /nfs/dbraw/zinc/44/87/61/937448761.db2.gz DRPMZQNXSSJZAN-UHFFFAOYSA-N -1 3 293.363 3.066 20 30 CGEDHM CCCCN([O-])C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001458025319 937449520 /nfs/dbraw/zinc/44/95/20/937449520.db2.gz SYNQDPJSKWYSFP-GFCCVEGCSA-N -1 3 265.353 3.207 20 30 CGEDHM CC#C[C@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229568944 932173518 /nfs/dbraw/zinc/17/35/18/932173518.db2.gz HYQKEOQAWARNCB-QMMMGPOBSA-N -1 3 264.375 3.161 20 30 CGEDHM O=C1CC(Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229937540 932505761 /nfs/dbraw/zinc/50/57/61/932505761.db2.gz MKZQRKOJAIDYHF-WOJGMQOQSA-N -1 3 281.311 3.253 20 30 CGEDHM CSC(C)(C)C(=O)N([O-])CCCCc1ccccc1 ZINC001306896190 932891243 /nfs/dbraw/zinc/89/12/43/932891243.db2.gz NMTURZRZZFEMRM-UHFFFAOYSA-N -1 3 281.421 3.369 20 30 CGEDHM CO[C@H]1CCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306895895 932891467 /nfs/dbraw/zinc/89/14/67/932891467.db2.gz AITIQRWJVMWQMT-CVEARBPZSA-N -1 3 291.391 3.042 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ncoc1C(C)C ZINC001306897110 932893195 /nfs/dbraw/zinc/89/31/95/932893195.db2.gz ZDSGYMYPSYVQBW-UHFFFAOYSA-N -1 3 254.330 3.210 20 30 CGEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc2sccc2c([O-])c1 ZINC001464239843 937688022 /nfs/dbraw/zinc/68/80/22/937688022.db2.gz LPFPXVYKDFKLFJ-JTQLQIEISA-N -1 3 288.372 3.229 20 30 CGEDHM CCc1ccc(C(=O)Nc2ccc(OCC#N)cc2)c([O-])c1 ZINC001320750116 934098239 /nfs/dbraw/zinc/09/82/39/934098239.db2.gz JFBBMZCGUGFGFY-UHFFFAOYSA-N -1 3 296.326 3.109 20 30 CGEDHM Cc1coc(C)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001472622413 937778322 /nfs/dbraw/zinc/77/83/22/937778322.db2.gz KKBUNXDGGLKQQR-UHFFFAOYSA-N -1 3 263.268 3.067 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001472620938 937778020 /nfs/dbraw/zinc/77/80/20/937778020.db2.gz ZGMVWWVEDWIDGV-GHMZBOCLSA-N -1 3 269.291 3.086 20 30 CGEDHM CCCCN([O-])C(=O)CCCOc1ccc(F)cc1 ZINC001472620551 937778693 /nfs/dbraw/zinc/77/86/93/937778693.db2.gz HASFFQRNWRTHMF-UHFFFAOYSA-N -1 3 269.316 3.003 20 30 CGEDHM CCCCN([O-])C(=O)c1oc(-c2ccccc2)nc1C ZINC001472620446 937778493 /nfs/dbraw/zinc/77/84/93/937778493.db2.gz CDUGCAGSIFGUCK-UHFFFAOYSA-N -1 3 274.320 3.282 20 30 CGEDHM N#CCC1(COC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC001329440266 935216265 /nfs/dbraw/zinc/21/62/65/935216265.db2.gz RPUMXLAWISRCJR-UHFFFAOYSA-N -1 3 291.322 3.091 20 30 CGEDHM Cc1cc(C#N)cc(NCc2c(F)ccc([O-])c2F)c1 ZINC001474577622 937868301 /nfs/dbraw/zinc/86/83/01/937868301.db2.gz AZKAMJXQCAFTJL-UHFFFAOYSA-N -1 3 274.270 3.463 20 30 CGEDHM Cc1nsc([N-]C(=O)c2c(F)ccc(C)c2F)c1C#N ZINC001538166685 938116028 /nfs/dbraw/zinc/11/60/28/938116028.db2.gz SBVVXFJDIFKVEZ-UHFFFAOYSA-N -1 3 293.298 3.162 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ncnc2sccc21 ZINC001559035598 938150615 /nfs/dbraw/zinc/15/06/15/938150615.db2.gz YCRFDKHMXABUOS-UHFFFAOYSA-N -1 3 279.365 3.103 20 30 CGEDHM C=CCO[N-]C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001556633709 938204938 /nfs/dbraw/zinc/20/49/38/938204938.db2.gz QJVSRGRXRLGYNR-UHFFFAOYSA-N -1 3 273.376 3.122 20 30 CGEDHM N#Cc1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])cc1)CC2 ZINC001611299548 970982605 /nfs/dbraw/zinc/98/26/05/970982605.db2.gz HLWNERUJQIOKKP-QGZVFWFLSA-N -1 3 292.338 3.034 20 30 CGEDHM N#CC(C(=O)CCCCC(=O)[O-])c1nccc2ccccc21 ZINC001594601036 956130179 /nfs/dbraw/zinc/13/01/79/956130179.db2.gz IZEZRURPWYCYPO-CQSZACIVSA-N -1 3 296.326 3.056 20 30 CGEDHM Cc1cccc([C@H](NCc2ccc(C)c(C#N)c2)C(=O)[O-])c1 ZINC001594396788 958774358 /nfs/dbraw/zinc/77/43/58/958774358.db2.gz CKRSGBREEVHGJI-KRWDZBQOSA-N -1 3 294.354 3.091 20 30 CGEDHM C#C[C@H](NC(=O)c1cc(CC)ccc1[O-])c1ccc(F)cc1 ZINC001569486414 961773938 /nfs/dbraw/zinc/77/39/38/961773938.db2.gz XGTGBLIVIDQIEU-INIZCTEOSA-N -1 3 297.329 3.198 20 30 CGEDHM C=C(C)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588419244 963272215 /nfs/dbraw/zinc/27/22/15/963272215.db2.gz ASKVCGOSHMMRTJ-UHFFFAOYSA-N -1 3 297.362 3.039 20 30 CGEDHM C=C(C)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588419244 963272224 /nfs/dbraw/zinc/27/22/24/963272224.db2.gz ASKVCGOSHMMRTJ-UHFFFAOYSA-N -1 3 297.362 3.039 20 30 CGEDHM CC(C)(C)c1csc([N-]C(=O)c2cocn2)c1C#N ZINC000590997540 346893831 /nfs/dbraw/zinc/89/38/31/346893831.db2.gz ATVXEGQLSHPEID-UHFFFAOYSA-N -1 3 275.333 3.158 20 30 CGEDHM N#Cc1[n-]c(=NC[C@H]2CC23CCSCC3)sc1Cl ZINC000596276912 347409718 /nfs/dbraw/zinc/40/97/18/347409718.db2.gz BACFKIMFUYAYRX-MRVPVSSYSA-N -1 3 299.852 3.035 20 30 CGEDHM CCOc1cc(CN2CC[C@@](C)(C#N)C2)cc(Cl)c1[O-] ZINC000597229494 347558290 /nfs/dbraw/zinc/55/82/90/347558290.db2.gz BFRLNKPBWSJAKX-HNNXBMFYSA-N -1 3 294.782 3.180 20 30 CGEDHM N#CC1(CC(=O)Nc2ccc([O-])cc2F)CCCCC1 ZINC000597483749 347577829 /nfs/dbraw/zinc/57/78/29/347577829.db2.gz JBMJQUIAAXSWQK-UHFFFAOYSA-N -1 3 276.311 3.334 20 30 CGEDHM CC(C)c1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c([O-])c1 ZINC000601821669 347917755 /nfs/dbraw/zinc/91/77/55/347917755.db2.gz SQZHEHBVXGRGDC-UKRRQHHQSA-N -1 3 286.375 3.280 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000617035531 348902737 /nfs/dbraw/zinc/90/27/37/348902737.db2.gz NSGISDDEBDLWBO-DOMZBBRYSA-N -1 3 259.349 3.257 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])ccc1Cl ZINC000620304279 349353384 /nfs/dbraw/zinc/35/33/84/349353384.db2.gz UDRZXAXNXULSMC-PHIMTYICSA-N -1 3 277.751 3.369 20 30 CGEDHM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000336269112 213106375 /nfs/dbraw/zinc/10/63/75/213106375.db2.gz ISPBBQQBMILPLD-UHFFFAOYSA-N -1 3 297.358 3.450 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(F)cc2)n1 ZINC000041520438 369189681 /nfs/dbraw/zinc/18/96/81/369189681.db2.gz AKUGBAFLKMTLIY-LLVKDONJSA-N -1 3 260.293 3.081 20 30 CGEDHM C[C@H](O[N-]C(=O)/C=C/c1ccc(C#N)cc1)c1ccccc1 ZINC000493307966 244138917 /nfs/dbraw/zinc/13/89/17/244138917.db2.gz WYNVJYQANJYWNF-GETOMWPZSA-N -1 3 292.338 3.380 20 30 CGEDHM CC(C)C[C@H](/N=C/c1ccccc1[O-])C(=O)OC(C)C ZINC000114217579 370494387 /nfs/dbraw/zinc/49/43/87/370494387.db2.gz JDEXDLJCEARGQM-FBJMNJBLSA-N -1 3 277.364 3.177 20 30 CGEDHM Cc1cc(Cl)cc(NC(=O)c2cccc(C#N)c2)c1[O-] ZINC000116980453 370576262 /nfs/dbraw/zinc/57/62/62/370576262.db2.gz UVEOAMYKFVUZMN-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000156933200 372000558 /nfs/dbraw/zinc/00/05/58/372000558.db2.gz WMUDZEUSWQNAAG-MRXNPFEDSA-N -1 3 294.354 3.476 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCCOc2c(F)cccc21 ZINC000293563684 372411808 /nfs/dbraw/zinc/41/18/08/372411808.db2.gz VACPCNPVQYPDBW-GFCCVEGCSA-N -1 3 299.292 3.367 20 30 CGEDHM CC1(C)COc2c1cccc2C([O-])=C(C#N)c1ccccn1 ZINC000434629661 372696851 /nfs/dbraw/zinc/69/68/51/372696851.db2.gz RIUUQPGCPAMGQT-ZDUSSCGKSA-N -1 3 292.338 3.242 20 30 CGEDHM C=CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436588878 372837608 /nfs/dbraw/zinc/83/76/08/372837608.db2.gz OJTIZPOIWAEZGM-UHFFFAOYSA-N -1 3 281.355 3.093 20 30 CGEDHM CC(C)c1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)c([O-])c1 ZINC000436607888 372837768 /nfs/dbraw/zinc/83/77/68/372837768.db2.gz UGLIGXMXWRPKDR-GFCCVEGCSA-N -1 3 286.375 3.280 20 30 CGEDHM CC(C)c1ccc(C(=O)N(C)CC(C)(C)C#N)c([O-])c1 ZINC000436987160 372843360 /nfs/dbraw/zinc/84/33/60/372843360.db2.gz SUZOFPWLPGATSB-UHFFFAOYSA-N -1 3 274.364 3.137 20 30 CGEDHM C=CCCC[C@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000182644760 374303791 /nfs/dbraw/zinc/30/37/91/374303791.db2.gz PHWXPMHOWZWJDJ-NSHDSACASA-N -1 3 281.783 3.449 20 30 CGEDHM CC1(C)CCCC[C@@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000328657218 374375116 /nfs/dbraw/zinc/37/51/16/374375116.db2.gz OOUWJYQRKPSZFO-LBPRGKRZSA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCCC[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000328657218 374375121 /nfs/dbraw/zinc/37/51/21/374375121.db2.gz OOUWJYQRKPSZFO-LBPRGKRZSA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCCC[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328657218 374375125 /nfs/dbraw/zinc/37/51/25/374375125.db2.gz OOUWJYQRKPSZFO-LBPRGKRZSA-N -1 3 290.342 3.370 20 30 CGEDHM C=CCCCN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469397764 374988435 /nfs/dbraw/zinc/98/84/35/374988435.db2.gz OSUSVBBBZQFXMS-UHFFFAOYSA-N -1 3 279.355 3.279 20 30 CGEDHM CC(=O)c1ccc(C(=O)[N-]c2scc(C)c2C#N)s1 ZINC000335135318 375162432 /nfs/dbraw/zinc/16/24/32/375162432.db2.gz KAJHZKUNYWDAIV-UHFFFAOYSA-N -1 3 290.369 3.445 20 30 CGEDHM C=C(C)CN(CC)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000568759245 377523477 /nfs/dbraw/zinc/52/34/77/377523477.db2.gz SYRYTYLNWFPXFO-UHFFFAOYSA-N -1 3 267.756 3.436 20 30 CGEDHM Cc1ccccc1S[C@@H](C(=O)N[O-])c1ccccc1 ZINC000167129517 542177316 /nfs/dbraw/zinc/17/73/16/542177316.db2.gz NLPGAKCPAWWFAP-CQSZACIVSA-N -1 3 273.357 3.334 20 30 CGEDHM C=CCC(C)(C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000343949553 378141740 /nfs/dbraw/zinc/14/17/40/378141740.db2.gz JLNZKODAHJBRBO-UHFFFAOYSA-N -1 3 291.347 3.110 20 30 CGEDHM C=C(C)CCc1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000349776153 379378830 /nfs/dbraw/zinc/37/88/30/379378830.db2.gz DGQORPHXNYFQPZ-UHFFFAOYSA-N -1 3 270.292 3.228 20 30 CGEDHM C=C(C)CCc1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000349776153 379378834 /nfs/dbraw/zinc/37/88/34/379378834.db2.gz DGQORPHXNYFQPZ-UHFFFAOYSA-N -1 3 270.292 3.228 20 30 CGEDHM CCc1cc(C(=O)Nc2cc(C#N)ccc2OC)ccc1[O-] ZINC000362665877 382094430 /nfs/dbraw/zinc/09/44/30/382094430.db2.gz PPDLYZKTGDOIQQ-UHFFFAOYSA-N -1 3 296.326 3.087 20 30 CGEDHM N#Cc1ccc(/C=C\C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000492644856 393766298 /nfs/dbraw/zinc/76/62/98/393766298.db2.gz JATFEWIPDYTLHE-YVMONPNESA-N -1 3 282.274 3.055 20 30 CGEDHM CCCCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000680617712 543719811 /nfs/dbraw/zinc/71/98/11/543719811.db2.gz ZBSWBAOANCYSPQ-HNNXBMFYSA-N -1 3 279.343 3.309 20 30 CGEDHM N#Cc1cccc(/C=C/C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000179646348 260060346 /nfs/dbraw/zinc/06/03/46/260060346.db2.gz WHNLZZDNBZKNBY-QPJJXVBHSA-N -1 3 282.274 3.055 20 30 CGEDHM CC(C)(C)SCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000074294109 260286691 /nfs/dbraw/zinc/28/66/91/260286691.db2.gz NULOWKOYKOIYBR-UHFFFAOYSA-N -1 3 280.353 3.184 20 30 CGEDHM CC(C)(C)SCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000074294109 260286693 /nfs/dbraw/zinc/28/66/93/260286693.db2.gz NULOWKOYKOIYBR-UHFFFAOYSA-N -1 3 280.353 3.184 20 30 CGEDHM CC(C)(C)SCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000074294109 260286694 /nfs/dbraw/zinc/28/66/94/260286694.db2.gz NULOWKOYKOIYBR-UHFFFAOYSA-N -1 3 280.353 3.184 20 30 CGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2ccccc2)CC1 ZINC000078379950 260300469 /nfs/dbraw/zinc/30/04/69/260300469.db2.gz HMPCXHMWKWFUHI-UHFFFAOYSA-N -1 3 296.252 3.143 20 30 CGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2ccccc2)CC1 ZINC000078379950 260300470 /nfs/dbraw/zinc/30/04/70/260300470.db2.gz HMPCXHMWKWFUHI-UHFFFAOYSA-N -1 3 296.252 3.143 20 30 CGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)c(Cl)c(C)c1 ZINC000416952649 263767453 /nfs/dbraw/zinc/76/74/53/263767453.db2.gz GZZQPCZJQIRVAJ-NSHDSACASA-N -1 3 286.784 3.001 20 30 CGEDHM CCc1ccc(C(=O)NC[C@@H]2CCO[C@H]2C(C)C)c([O-])c1 ZINC000331251123 264180809 /nfs/dbraw/zinc/18/08/09/264180809.db2.gz ZNUUJWGOCNMXRI-BBRMVZONSA-N 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OEKRWRYEYQSVGR-UHFFFAOYSA-N -1 3 250.289 3.208 20 30 CGEDHM C=CCN(Cc1ccccc1F)[C@@H](CCCC)C(=O)[O-] ZINC000584177534 327059153 /nfs/dbraw/zinc/05/91/53/327059153.db2.gz BHXUSWFJNJJWFB-HNNXBMFYSA-N -1 3 279.355 3.457 20 30 CGEDHM Cc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)ccc1[O-] ZINC000561500598 327399391 /nfs/dbraw/zinc/39/93/91/327399391.db2.gz HABITVXEJFYSQA-UHFFFAOYSA-N -1 3 298.317 3.400 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436820319 330685879 /nfs/dbraw/zinc/68/58/79/330685879.db2.gz GUGIZSAZEITCHR-AWEZNQCLSA-N -1 3 285.387 3.452 20 30 CGEDHM CC(C)c1ncsc1C([O-])=C(C#N)c1ccccn1 ZINC000453594711 331135287 /nfs/dbraw/zinc/13/52/87/331135287.db2.gz XRCUEWVLQHJXGY-SNVBAGLBSA-N -1 3 271.345 3.152 20 30 CGEDHM C=C(CNCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000352261028 526881589 /nfs/dbraw/zinc/88/15/89/526881589.db2.gz IMIYXENDYWZKRH-UHFFFAOYSA-N -1 3 275.298 3.473 20 30 CGEDHM C=CC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000351583333 526980224 /nfs/dbraw/zinc/98/02/24/526980224.db2.gz OPXKRRVAMIITGF-UHFFFAOYSA-N -1 3 253.292 3.068 20 30 CGEDHM CCCn1c(S[C@@H](C)c2cccc(C#N)c2)n[n-]c1=O ZINC000442904982 528821905 /nfs/dbraw/zinc/82/19/05/528821905.db2.gz YRZLDPFMOMOQDV-JTQLQIEISA-N -1 3 288.376 3.119 20 30 CGEDHM CC(=NNCc1ccc(F)c(F)c1)c1ccc([O-])c(F)c1 ZINC000728429668 571804970 /nfs/dbraw/zinc/80/49/70/571804970.db2.gz LUMHLHHJQXGHRS-UHFFFAOYSA-N -1 3 294.276 3.323 20 30 CGEDHM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(F)c1 ZINC000728430221 571806108 /nfs/dbraw/zinc/80/61/08/571806108.db2.gz OXOBQENTUVNFLS-UHFFFAOYSA-N -1 3 289.266 3.276 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@H](C)Cc1c(C)noc1C ZINC000737442244 572343598 /nfs/dbraw/zinc/34/35/98/572343598.db2.gz ATSYYKCECXUIRI-IYPWXLATSA-N -1 3 288.347 3.056 20 30 CGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737441485 572343744 /nfs/dbraw/zinc/34/37/44/572343744.db2.gz GILPDZKCSCPYDT-DAXSKMNVSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737441485 572343748 /nfs/dbraw/zinc/34/37/48/572343748.db2.gz GILPDZKCSCPYDT-DAXSKMNVSA-N -1 3 296.355 3.133 20 30 CGEDHM COc1cc(F)c(N=Cc2cccc([O-])c2O)cc1OC ZINC000730434077 572353294 /nfs/dbraw/zinc/35/32/94/572353294.db2.gz DQCNABMVIVFITA-UHFFFAOYSA-N -1 3 291.278 3.005 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1ccsc1 ZINC000739427211 572414318 /nfs/dbraw/zinc/41/43/18/572414318.db2.gz RDNODRIGCKPPPH-IUSDJGRYSA-N -1 3 281.764 3.260 20 30 CGEDHM C=CCOc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732275397 572457254 /nfs/dbraw/zinc/45/72/54/572457254.db2.gz BOAYQQCLJRMXPO-UHFFFAOYSA-N -1 3 275.329 3.271 20 30 CGEDHM [O-]c1ccccc1/C=N\C[C@@H](O)c1c(F)cccc1Cl ZINC000741165001 572485699 /nfs/dbraw/zinc/48/56/99/572485699.db2.gz DCHHBNHLCSSDAZ-NAQJVLLRSA-N -1 3 293.725 3.337 20 30 CGEDHM C[C@@H]1CC[C@H](/N=C\c2ccc(O)c([O-])c2O)[C@H](C)C1 ZINC000733080844 572506858 /nfs/dbraw/zinc/50/68/58/572506858.db2.gz DAIYJDLRBPPLCZ-DZFGSQDDSA-N -1 3 263.337 3.047 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000733904155 572612236 /nfs/dbraw/zinc/61/22/36/572612236.db2.gz VFVZWWMKXYCQFP-XDNFDDDSSA-N -1 3 290.407 3.223 20 30 CGEDHM CCCCCCCCOCC(=O)Nc1ncccc1[O-] ZINC000743290633 572646003 /nfs/dbraw/zinc/64/60/03/572646003.db2.gz NJUDBRWGRDWSMC-UHFFFAOYSA-N -1 3 280.368 3.103 20 30 CGEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000736662470 572803173 /nfs/dbraw/zinc/80/31/73/572803173.db2.gz PDNKJPBCXONPKS-WBMJQRKESA-N -1 3 280.327 3.035 20 30 CGEDHM C#CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C(C)C ZINC000747192485 572917553 /nfs/dbraw/zinc/91/75/53/572917553.db2.gz HEIHIQDUIDAQGX-AWEZNQCLSA-N -1 3 286.331 3.183 20 30 CGEDHM C#CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(C)C ZINC000747192485 572917556 /nfs/dbraw/zinc/91/75/56/572917556.db2.gz HEIHIQDUIDAQGX-AWEZNQCLSA-N -1 3 286.331 3.183 20 30 CGEDHM N#CCC[C@@H](NC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000749297034 572991781 /nfs/dbraw/zinc/99/17/81/572991781.db2.gz JRRKICJBIOCSSD-CYBMUJFWSA-N -1 3 286.356 3.229 20 30 CGEDHM CCOc1cc(C=NOCC(C)C)cc(Cl)c1[O-] ZINC000749637163 573026571 /nfs/dbraw/zinc/02/65/71/573026571.db2.gz ZLVUBZRPGKJDOG-UHFFFAOYSA-N -1 3 271.744 3.451 20 30 CGEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000827718597 600762062 /nfs/dbraw/zinc/76/20/62/600762062.db2.gz WNJHFMYXOWYBEI-BZNIZROVSA-N -1 3 298.317 3.174 20 30 CGEDHM C=CC[C@@H]1CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000890552015 617636221 /nfs/dbraw/zinc/63/62/21/617636221.db2.gz JJTYBOQWDYXPAY-CYBMUJFWSA-N -1 3 277.339 3.031 20 30 CGEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(CC)cc1[O-] ZINC000804837630 617893486 /nfs/dbraw/zinc/89/34/86/617893486.db2.gz QKRQFTUSHFGTOC-UHFFFAOYSA-N -1 3 293.366 3.230 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccsc1 ZINC000900094876 620761124 /nfs/dbraw/zinc/76/11/24/620761124.db2.gz UCGLPHVBQGMPLY-JTQLQIEISA-N -1 3 279.336 3.409 20 30 CGEDHM CO[C@@H](C)CCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900093988 620761181 /nfs/dbraw/zinc/76/11/81/620761181.db2.gz FCMBDFBNVLBAOI-ZDUSSCGKSA-N -1 3 287.359 3.373 20 30 CGEDHM O=C(c1cscn1)N([O-])Cc1cccc2ccccc21 ZINC000900091973 620761531 /nfs/dbraw/zinc/76/15/31/620761531.db2.gz VGRKFBYGIABKBP-UHFFFAOYSA-N -1 3 284.340 3.328 20 30 CGEDHM CC(=NOC1CCOCC1)c1cc(Cl)cc(C)c1[O-] ZINC000807985575 618023291 /nfs/dbraw/zinc/02/32/91/618023291.db2.gz JFDBNYSJYUXYKL-UHFFFAOYSA-N -1 3 283.755 3.274 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1ccccn1 ZINC000255199431 618071647 /nfs/dbraw/zinc/07/16/47/618071647.db2.gz SEPSJPPIUNLWEO-YBEGLDIGSA-N -1 3 260.724 3.102 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1ccccn1 ZINC000255517901 618641774 /nfs/dbraw/zinc/64/17/74/618641774.db2.gz ABRZOLKPKRKGRZ-TXNVCOODSA-N -1 3 283.718 3.020 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1ccccc1 ZINC000255662659 618773912 /nfs/dbraw/zinc/77/39/12/618773912.db2.gz ROKCGGMFPWXPIE-MBBOSUJBSA-N -1 3 275.735 3.198 20 30 CGEDHM Cc1cc([O-])c(C=NO[C@H]2CCCCO2)cc1Cl ZINC000853325214 618981243 /nfs/dbraw/zinc/98/12/43/618981243.db2.gz IWBXVBKSYXDXHN-ZDUSSCGKSA-N -1 3 269.728 3.231 20 30 CGEDHM C=CCC[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OCC ZINC000840708147 620092948 /nfs/dbraw/zinc/09/29/48/620092948.db2.gz DGBHNPPNBHKGKP-VZWMTCDZSA-N -1 3 295.766 3.362 20 30 CGEDHM CC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000840709753 620106109 /nfs/dbraw/zinc/10/61/09/620106109.db2.gz GEESLBHAJWIZNM-DZGUVLCISA-N -1 3 284.359 3.158 20 30 CGEDHM CCc1occc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372108 620866503 /nfs/dbraw/zinc/86/65/03/620866503.db2.gz QWPRJPRHSMYUMM-UHFFFAOYSA-N -1 3 263.268 3.013 20 30 CGEDHM Cc1cc(F)c(C(=O)N([O-])Cc2ccc(F)cc2)c(F)c1 ZINC000901372015 620866652 /nfs/dbraw/zinc/86/66/52/620866652.db2.gz MUNCDKJXFVIJLU-UHFFFAOYSA-N -1 3 295.260 3.444 20 30 CGEDHM O=C([C@@H]1CCCC12CC2)N([O-])Cc1ccc(F)cc1 ZINC000901373281 620867493 /nfs/dbraw/zinc/86/74/93/620867493.db2.gz VZHOMXVSRMHKHK-ZDUSSCGKSA-N -1 3 263.312 3.124 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374072 620867901 /nfs/dbraw/zinc/86/79/01/620867901.db2.gz DAWNVBDZKCGQIA-GFCCVEGCSA-N -1 3 273.307 3.347 20 30 CGEDHM COc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(F)c1 ZINC000901376255 620868734 /nfs/dbraw/zinc/86/87/34/620868734.db2.gz RHNLWIYYFUDWQQ-UHFFFAOYSA-N -1 3 293.269 3.005 20 30 CGEDHM O=C([C@H]1CCSC1)N([O-])Cc1cccc2ccccc21 ZINC000904170612 621884045 /nfs/dbraw/zinc/88/40/45/621884045.db2.gz DJGAIPVPIQQEHF-AWEZNQCLSA-N -1 3 287.384 3.311 20 30 CGEDHM O=C([C@H]1CCCSC1)N([O-])Cc1ccccc1Cl ZINC000904193266 621887300 /nfs/dbraw/zinc/88/73/00/621887300.db2.gz MURHRSBFXWDYSL-NSHDSACASA-N -1 3 285.796 3.201 20 30 CGEDHM CCCCN([O-])C(=O)CC(C)(C)CC(F)(F)F ZINC000904216031 621889608 /nfs/dbraw/zinc/88/96/08/621889608.db2.gz VUXSORVPBYBERX-UHFFFAOYSA-N -1 3 255.280 3.373 20 30 CGEDHM N#CCOc1cccc(NCc2cccc(F)c2[O-])c1 ZINC000164985673 622853213 /nfs/dbraw/zinc/85/32/13/622853213.db2.gz LFMNLVGGRCPDGE-UHFFFAOYSA-N -1 3 272.279 3.046 20 30 CGEDHM CC(=NOCC(F)F)c1cc(Br)ccc1[O-] ZINC000758905014 623515619 /nfs/dbraw/zinc/51/56/19/623515619.db2.gz ZQJKXLCPIHYGFJ-UHFFFAOYSA-N -1 3 294.095 3.160 20 30 CGEDHM CC1(C/N=C/c2cc(Cl)ccc2[O-])CCOCC1 ZINC000753137870 626446344 /nfs/dbraw/zinc/44/63/44/626446344.db2.gz KUHJABWCELXVQI-CXUHLZMHSA-N -1 3 267.756 3.281 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=C2CC[C@@H](C)C2)nc(C)n1 ZINC000753800637 626466139 /nfs/dbraw/zinc/46/61/39/626466139.db2.gz XOUMZANTLWPMRZ-AVYFYAABSA-N -1 3 269.348 3.016 20 30 CGEDHM CCC1(C/N=C\c2c([O-])c(C)ncc2CO)CCCCC1 ZINC000762413001 627108518 /nfs/dbraw/zinc/10/85/18/627108518.db2.gz GILSZSSCZAJNHD-ZDLGFXPLSA-N -1 3 290.407 3.367 20 30 CGEDHM Cc1cc(/C=C2\Cc3c(cccc3[O-])C2=O)ccc1C#N ZINC000766492851 627338103 /nfs/dbraw/zinc/33/81/03/627338103.db2.gz YSJKJUPROOPLEO-RIYZIHGNSA-N -1 3 275.307 3.395 20 30 CGEDHM CC(C)c1nccnc1N=NC(C)c1ccc(F)cc1[O-] ZINC000773077205 627851466 /nfs/dbraw/zinc/85/14/66/627851466.db2.gz DHLKSPIROMYRIA-UHFFFAOYSA-N -1 3 288.326 3.281 20 30 CGEDHM C=C(Br)COC(=O)c1cccc(Cl)c1[O-] ZINC000775933881 628150492 /nfs/dbraw/zinc/15/04/92/628150492.db2.gz RGIMZBTVTULWFZ-UHFFFAOYSA-N -1 3 291.528 3.111 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Cl)cc2)c1 ZINC000776275874 628187976 /nfs/dbraw/zinc/18/79/76/628187976.db2.gz VLPYNHQFEZBLPZ-UHFFFAOYSA-N -1 3 287.702 3.274 20 30 CGEDHM CC(=NOCCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000777459155 628273087 /nfs/dbraw/zinc/27/30/87/628273087.db2.gz GSHFTOVVTOGYMN-UHFFFAOYSA-N -1 3 265.206 3.224 20 30 CGEDHM CC(=NNC1CCCCC1)c1cc(F)ccc1[O-] ZINC000786043745 628910819 /nfs/dbraw/zinc/91/08/19/628910819.db2.gz VSHOGQBVBPRJRR-UHFFFAOYSA-N -1 3 250.317 3.178 20 30 CGEDHM C=CCN(C(=O)CCCc1ccc([O-])c(F)c1)C(C)C ZINC000786892492 628969261 /nfs/dbraw/zinc/96/92/61/628969261.db2.gz VTBNHSSMEPYZGO-UHFFFAOYSA-N -1 3 279.355 3.277 20 30 CGEDHM CC[C@H](CC#N)NC(=O)c1cc2sccc2c([O-])c1 ZINC000791394944 629271607 /nfs/dbraw/zinc/27/16/07/629271607.db2.gz NUVNSSZGUMZIBS-SNVBAGLBSA-N -1 3 274.345 3.029 20 30 CGEDHM CN(Cc1c([O-])cccc1Br)CC(C)(C)C#N ZINC000862375983 629356750 /nfs/dbraw/zinc/35/67/50/629356750.db2.gz DZLCRQQTYDGWLS-UHFFFAOYSA-N -1 3 297.196 3.136 20 30 CGEDHM CCCCCCCCC(=O)NCc1ncccc1[O-] ZINC000792609590 629370301 /nfs/dbraw/zinc/37/03/01/629370301.db2.gz DWSPDWMBSXGHDQ-UHFFFAOYSA-N -1 3 264.369 3.154 20 30 CGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cc2sccc2c([O-])c1 ZINC000793823489 629503780 /nfs/dbraw/zinc/50/37/80/629503780.db2.gz MOOAKGALVKJSAE-CYBMUJFWSA-N -1 3 288.372 3.275 20 30 CGEDHM N#CCC1(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000797399403 629941101 /nfs/dbraw/zinc/94/11/01/629941101.db2.gz XJBHEGCLNARARF-LZYBPNLTSA-N -1 3 293.164 3.267 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCCCCC(F)(F)F)c1 ZINC000811186336 631041342 /nfs/dbraw/zinc/04/13/42/631041342.db2.gz KSTIIUDPVASRSN-UHFFFAOYSA-N -1 3 287.237 3.153 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCc3ccccc32)c1 ZINC000811186926 631042001 /nfs/dbraw/zinc/04/20/01/631042001.db2.gz DFRQCSMXITXKOO-INIZCTEOSA-N -1 3 279.295 3.108 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cn(C)nc2C(F)F)ccc1[O-] ZINC000812241096 631231704 /nfs/dbraw/zinc/23/17/04/631231704.db2.gz CLGNUXBENWJMBZ-XQRVVYSFSA-N -1 3 292.285 3.268 20 30 CGEDHM [O-]c1c(C=NOCC(F)(F)F)ccc2ccccc12 ZINC000814880597 631662862 /nfs/dbraw/zinc/66/28/62/631662862.db2.gz IOPYQEXXRNTZIN-UHFFFAOYSA-N -1 3 269.222 3.458 20 30 CGEDHM C=C1CCC(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000831005976 633910397 /nfs/dbraw/zinc/91/03/97/633910397.db2.gz HWWGXXMOKKYVIS-UHFFFAOYSA-N -1 3 296.370 3.004 20 30 CGEDHM CCOC(=O)C(C)(C)ON=Cc1cc(Cl)cc(C)c1[O-] ZINC000835004813 634310357 /nfs/dbraw/zinc/31/03/57/634310357.db2.gz BPDBGPSOOGUUHM-UHFFFAOYSA-N -1 3 299.754 3.046 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C2=CC[C@@H](C)CC2)nc(C)n1 ZINC000835060606 634342206 /nfs/dbraw/zinc/34/22/06/634342206.db2.gz RXBPPLSCHZAZAC-YGRLFVJLSA-N -1 3 269.348 3.016 20 30 CGEDHM COCC1(CC/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000843266784 635628654 /nfs/dbraw/zinc/62/86/54/635628654.db2.gz OLMJCEWQTUPXDT-SXGWCWSVSA-N -1 3 267.756 3.281 20 30 CGEDHM N#CC(=C([O-])C=CC1CCCCCC1)c1ccncn1 ZINC000845512899 636042728 /nfs/dbraw/zinc/04/27/28/636042728.db2.gz DYFDYEPXHLALDP-NPQIQWPPSA-N -1 3 269.348 3.179 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H]1CCCc2ccccc21 ZINC000846546764 636197844 /nfs/dbraw/zinc/19/78/44/636197844.db2.gz YOGOIXPOFVFLPY-OCCSQVGLSA-N -1 3 259.349 3.119 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCOc1ccc(C)cc1C ZINC000846546792 636198260 /nfs/dbraw/zinc/19/82/60/636198260.db2.gz GEIGSLCBDJIYSU-CQSZACIVSA-N -1 3 277.364 3.085 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H]1CCCc2ccccc21 ZINC000846546766 636198420 /nfs/dbraw/zinc/19/84/20/636198420.db2.gz YOGOIXPOFVFLPY-TZMCWYRMSA-N -1 3 259.349 3.119 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1COC2(CCC2)C1 ZINC000849171702 636763551 /nfs/dbraw/zinc/76/35/51/636763551.db2.gz DWQHFXGLJCVLLF-GGNJANJASA-N -1 3 265.740 3.176 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000856034804 638289618 /nfs/dbraw/zinc/28/96/18/638289618.db2.gz UXPNKXWBCUACST-NSHDSACASA-N -1 3 295.766 3.173 20 30 CGEDHM C=CCCCCCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934274336 639570156 /nfs/dbraw/zinc/57/01/56/639570156.db2.gz SPCXBPXBGCYGFV-CYBMUJFWSA-N -1 3 291.395 3.074 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC000862132837 639649425 /nfs/dbraw/zinc/64/94/25/639649425.db2.gz NQMNAOQRZGYONS-LLVKDONJSA-N -1 3 251.370 3.215 20 30 CGEDHM N#CC1(C(=O)Nc2cc(Cl)ccc2[O-])CCSCC1 ZINC000935017030 639731789 /nfs/dbraw/zinc/73/17/89/639731789.db2.gz MZQKHZYTSFLQBU-UHFFFAOYSA-N -1 3 296.779 3.021 20 30 CGEDHM C#Cc1cccc(N(C)C(=O)c2cc(CC)ccc2[O-])c1 ZINC000094106391 640789878 /nfs/dbraw/zinc/78/98/78/640789878.db2.gz AMMNCPDZAKLTOA-UHFFFAOYSA-N -1 3 279.339 3.213 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001161826870 806465900 /nfs/dbraw/zinc/46/59/00/806465900.db2.gz NTWXXHPJCCHTRN-OWCLPIDISA-N -1 3 273.376 3.370 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc(O)cc2)ccc1[O-] ZINC000213712081 799134132 /nfs/dbraw/zinc/13/41/32/799134132.db2.gz DSAIYCOKCDZCTB-YWEYNIOJSA-N -1 3 270.284 3.003 20 30 CGEDHM CC1(C)OCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000840707166 800498899 /nfs/dbraw/zinc/49/88/99/800498899.db2.gz OBMMWWPQSOHLDN-PWDRSIHYSA-N -1 3 253.729 3.032 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)Sc1ccc(F)cc1 ZINC001184315195 810191400 /nfs/dbraw/zinc/19/14/00/810191400.db2.gz TUEGSRPFNQIIPV-SNVBAGLBSA-N -1 3 271.357 3.324 20 30 CGEDHM COC(=O)c1cccc(-c2ccc(/C(C)=N/[O-])cc2)c1F ZINC001244550051 803433908 /nfs/dbraw/zinc/43/39/08/803433908.db2.gz XOAZKFIVUDZUNG-VCHYOVAHSA-N -1 3 287.290 3.478 20 30 CGEDHM Cc1cc(-c2cnccc2CC#N)cc(Cl)c1[O-] ZINC001244550400 803434065 /nfs/dbraw/zinc/43/40/65/803434065.db2.gz DVGZHKKJWZSUPN-UHFFFAOYSA-N -1 3 258.708 3.482 20 30 CGEDHM Cc1cc(CO)ccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001244584112 803454651 /nfs/dbraw/zinc/45/46/51/803454651.db2.gz SSOAUTVPCJYIJZ-CAOOACKPSA-N -1 3 259.280 3.102 20 30 CGEDHM CNC(=O)c1ccc(-c2ccc(/C(C)=N/[O-])cc2)c(F)c1 ZINC001244662456 803484398 /nfs/dbraw/zinc/48/43/98/803484398.db2.gz CWJYTKCDUUCOSP-VXLYETTFSA-N -1 3 286.306 3.051 20 30 CGEDHM N#CCc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212007607 814965502 /nfs/dbraw/zinc/96/55/02/814965502.db2.gz QGTCBSMASZDARJ-UHFFFAOYSA-N -1 3 260.243 3.480 20 30 CGEDHM N#CC1(c2ccc(Nc3ncc(F)cc3[O-])cc2)CC1 ZINC001212251545 814997083 /nfs/dbraw/zinc/99/70/83/814997083.db2.gz JBRGTUNHYGKSCQ-UHFFFAOYSA-N -1 3 269.279 3.225 20 30 CGEDHM C=C(CC)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001142206842 804703233 /nfs/dbraw/zinc/70/32/33/804703233.db2.gz KKJCATPWSUDYNJ-UHFFFAOYSA-N -1 3 261.346 3.303 20 30 CGEDHM C[C@@H](C#N)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001144631767 805017260 /nfs/dbraw/zinc/01/72/60/805017260.db2.gz ZJEREUJQCBKNJN-NSHDSACASA-N -1 3 298.317 3.340 20 30 CGEDHM CCc1ccc(NC(=O)/C=C/C(=O)c2ccccc2)c([O-])c1 ZINC001144708707 805035602 /nfs/dbraw/zinc/03/56/02/805035602.db2.gz LUFWSNGODBINIZ-ZHACJKMWSA-N -1 3 295.338 3.332 20 30 CGEDHM N#Cc1cc(NC(=O)Cc2ccc(C3CC3)cc2)ccc1[O-] ZINC001144719556 805039210 /nfs/dbraw/zinc/03/92/10/805039210.db2.gz OFBNYCLDROSTRY-UHFFFAOYSA-N -1 3 292.338 3.322 20 30 CGEDHM COc1cc(C#N)cc(Nc2cccc([O-])c2F)c1 ZINC001212553210 815064912 /nfs/dbraw/zinc/06/49/12/815064912.db2.gz HRZBRKITDADUEC-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2c(C)cc(C#N)cc2C)n1 ZINC001263284027 807943870 /nfs/dbraw/zinc/94/38/70/807943870.db2.gz SCFCQVNNEBXQEU-CYBMUJFWSA-N -1 3 295.367 3.430 20 30 CGEDHM Cc1nc2cc(Nc3cc(C#N)c(F)cc3[O-])ccc2[nH]1 ZINC001213076116 815225077 /nfs/dbraw/zinc/22/50/77/815225077.db2.gz GJZMULZPVKVMMH-UHFFFAOYSA-N -1 3 282.278 3.331 20 30 CGEDHM Cc1nc2ccc(Nc3cc(C#N)c(F)cc3[O-])cc2[nH]1 ZINC001213076116 815225079 /nfs/dbraw/zinc/22/50/79/815225079.db2.gz GJZMULZPVKVMMH-UHFFFAOYSA-N -1 3 282.278 3.331 20 30 CGEDHM N#Cc1ccc(Cl)nc1Nc1c(F)cc([O-])cc1F ZINC001175096022 809269041 /nfs/dbraw/zinc/26/90/41/809269041.db2.gz UWCHYHAXGPXQII-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM O=C(C#Cc1cccs1)Nc1cc(Cl)ccc1[O-] ZINC001295350288 809485489 /nfs/dbraw/zinc/48/54/89/809485489.db2.gz CQYWDEKRFUISSA-UHFFFAOYSA-N -1 3 277.732 3.097 20 30 CGEDHM Cc1[nH]nc2cc(Nc3cc(C#N)c(F)cc3[O-])ccc12 ZINC001175662884 809496732 /nfs/dbraw/zinc/49/67/32/809496732.db2.gz IGZTUKGJGKLBBQ-UHFFFAOYSA-N -1 3 282.278 3.331 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(CC(C)C)cc1 ZINC001300211486 809564146 /nfs/dbraw/zinc/56/41/46/809564146.db2.gz WGLYHNYSNQLWJV-CQSZACIVSA-N -1 3 275.392 3.440 20 30 CGEDHM O=C(c1cc(C2CC2)[nH]n1)N([O-])CCCCc1ccccc1 ZINC001184293253 810189192 /nfs/dbraw/zinc/18/91/92/810189192.db2.gz LSFVHDKWAGGMRR-UHFFFAOYSA-N -1 3 299.374 3.141 20 30 CGEDHM O=C(Cc1ccccc1)N([O-])CCCCc1ccccc1 ZINC001184293494 810189376 /nfs/dbraw/zinc/18/93/76/810189376.db2.gz VUUWAVVPOINEQH-UHFFFAOYSA-N -1 3 283.371 3.470 20 30 CGEDHM O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N([O-])Cc1ccccc1Cl ZINC001184293519 810189389 /nfs/dbraw/zinc/18/93/89/810189389.db2.gz WSHXQGYYFOEQEL-RTXFEEFZSA-N -1 3 279.767 3.494 20 30 CGEDHM CC(C)(C)c1ccnc(C(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001184567674 810209796 /nfs/dbraw/zinc/20/97/96/810209796.db2.gz CCEBKKMIDSYGIT-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM CCCCCCCCS(=O)(=O)[N-]c1ncccc1F ZINC001187993179 810439607 /nfs/dbraw/zinc/43/96/07/810439607.db2.gz MBOIBOIBENHMOK-UHFFFAOYSA-N -1 3 288.388 3.323 20 30 CGEDHM CCCCCCCCS(=O)(=O)[N-]c1cnn(CC)c1 ZINC001187993493 810440205 /nfs/dbraw/zinc/44/02/05/810440205.db2.gz YNTBVVCVYOMHFY-UHFFFAOYSA-N -1 3 287.429 3.005 20 30 CGEDHM CCCOc1ccccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001190993448 810662273 /nfs/dbraw/zinc/66/22/73/810662273.db2.gz DTULIFCCADELBC-UHFFFAOYSA-N -1 3 296.326 3.305 20 30 CGEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1[C@@H](C)CC2(C)C ZINC001193148521 810861511 /nfs/dbraw/zinc/86/15/11/810861511.db2.gz AQVGEGZWKVAWNF-WDEREUQCSA-N -1 3 292.404 3.125 20 30 CGEDHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc([C@H](C)C#N)cc1 ZINC001193935883 810981767 /nfs/dbraw/zinc/98/17/67/810981767.db2.gz GGBCANWVTDARQS-LLVKDONJSA-N -1 3 296.326 3.286 20 30 CGEDHM CC(C)(C#N)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199814063 811598564 /nfs/dbraw/zinc/59/85/64/811598564.db2.gz COTGIDHTLRVOCV-UHFFFAOYSA-N -1 3 298.302 3.240 20 30 CGEDHM N#Cc1cc([O-])ccc1Nc1c(F)ccc([N+](=O)[O-])c1F ZINC001215298060 815504164 /nfs/dbraw/zinc/50/41/64/815504164.db2.gz WMHDUSSVZGNJCM-UHFFFAOYSA-N -1 3 291.213 3.194 20 30 CGEDHM COc1c(F)c(C)ccc1Nc1cc(C#N)ccc1[O-] ZINC001215602171 815545062 /nfs/dbraw/zinc/54/50/62/815545062.db2.gz UGKBIJBACVSRRG-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM Cc1ccc(F)c(Nc2cc(C#N)cnc2C)c1[O-] ZINC001215739181 815570539 /nfs/dbraw/zinc/57/05/39/815570539.db2.gz XLRVDFHDRONROK-UHFFFAOYSA-N -1 3 257.268 3.158 20 30 CGEDHM CC(=O)Nc1ccc(Nc2cc([O-])cc(F)c2)cc1C#N ZINC001206851375 813452019 /nfs/dbraw/zinc/45/20/19/813452019.db2.gz OYBMWGXUMKVPSI-UHFFFAOYSA-N -1 3 285.278 3.105 20 30 CGEDHM COc1ccc(C(C)=O)cc1Nc1ccc([O-])c(C#N)c1 ZINC001210080112 814278064 /nfs/dbraw/zinc/27/80/64/814278064.db2.gz PPMQXKFSOOBEHB-UHFFFAOYSA-N -1 3 282.299 3.219 20 30 CGEDHM N#Cc1cncc(Nc2c([O-])cccc2Br)c1 ZINC001210086931 814281129 /nfs/dbraw/zinc/28/11/29/814281129.db2.gz YROINWIJVNYNCQ-UHFFFAOYSA-N -1 3 290.120 3.165 20 30 CGEDHM N#Cc1ccc2ncc(-c3cc([O-])ccc3F)nc2c1 ZINC001242761187 823124432 /nfs/dbraw/zinc/12/44/32/823124432.db2.gz AOXGWZFJWPUVEQ-UHFFFAOYSA-N -1 3 265.247 3.013 20 30 CGEDHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2C)ccc1C#N ZINC001242770173 823127958 /nfs/dbraw/zinc/12/79/58/823127958.db2.gz DVJAIMCQQCKLHP-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2C)ccc1C#N ZINC001242770173 823127959 /nfs/dbraw/zinc/12/79/59/823127959.db2.gz DVJAIMCQQCKLHP-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1nc(C#N)cnc1[N-]c1cc2cc(F)ccc2o1 ZINC001210726929 814599829 /nfs/dbraw/zinc/59/98/29/814599829.db2.gz ZYSVGCUMHPCENX-UHFFFAOYSA-N -1 3 268.251 3.286 20 30 CGEDHM CC(=O)Nc1ccc(Nc2ccc(F)c([O-])c2)cc1C#N ZINC001211217725 814853325 /nfs/dbraw/zinc/85/33/25/814853325.db2.gz AKUULZPXRBDFCP-UHFFFAOYSA-N -1 3 285.278 3.105 20 30 CGEDHM N#Cc1cc(Nc2ccc(F)c([O-])c2)cc([N+](=O)[O-])c1 ZINC001211330259 814880445 /nfs/dbraw/zinc/88/04/45/814880445.db2.gz PAKXGGHMQHCHMY-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cc(F)c(N)c(F)c2)cc1 ZINC001242842072 823149657 /nfs/dbraw/zinc/14/96/57/823149657.db2.gz FBHDUFSRCRJWFK-QGMBQPNBSA-N -1 3 262.259 3.412 20 30 CGEDHM COc1ccc([C@@H](C)O/C(=N\[O-])c2ccccn2)c(F)c1 ZINC001223976174 816713092 /nfs/dbraw/zinc/71/30/92/816713092.db2.gz NLAJVBMMKVBNQZ-XYGCICOMSA-N -1 3 290.294 3.143 20 30 CGEDHM CC(C)=CCC[C@@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225468103 817062916 /nfs/dbraw/zinc/06/29/16/817062916.db2.gz KCSQSOGYAUTNHE-GFCCVEGCSA-N -1 3 260.337 3.481 20 30 CGEDHM Cc1cccc(OC[C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c1 ZINC001225469792 817063525 /nfs/dbraw/zinc/06/35/25/817063525.db2.gz OHHKORMCJLVJRS-CYBMUJFWSA-N -1 3 298.342 3.122 20 30 CGEDHM C=C[C@@H](Oc1[n-]c(=S)ncc1C)c1ccccc1 ZINC001225740954 817163103 /nfs/dbraw/zinc/16/31/03/817163103.db2.gz KXIIUPKDJIWTHG-GFCCVEGCSA-N -1 3 258.346 3.380 20 30 CGEDHM CCC[C@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226254611 817312531 /nfs/dbraw/zinc/31/25/31/817312531.db2.gz AYKVZFXUPIRNRP-MPMPPSQCSA-N -1 3 271.320 3.205 20 30 CGEDHM Cc1ccc(OC[C@@H](C)Oc2cc(C#N)ccc2[O-])cc1 ZINC001227349395 817629619 /nfs/dbraw/zinc/62/96/19/817629619.db2.gz HFRUFSHARNIXDZ-CYBMUJFWSA-N -1 3 283.327 3.419 20 30 CGEDHM C#C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001227747284 817712230 /nfs/dbraw/zinc/71/22/30/817712230.db2.gz ZNVCXDAOAZQAAB-HNNXBMFYSA-N -1 3 293.282 3.224 20 30 CGEDHM C#C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1 ZINC001227747284 817712234 /nfs/dbraw/zinc/71/22/34/817712234.db2.gz ZNVCXDAOAZQAAB-HNNXBMFYSA-N -1 3 293.282 3.224 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCCC[C@H]1F ZINC001233525824 818633649 /nfs/dbraw/zinc/63/36/49/818633649.db2.gz XGKKESYXGDSUCV-IUODEOHRSA-N -1 3 261.296 3.442 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)C1CCCC1 ZINC001233803283 818708196 /nfs/dbraw/zinc/70/81/96/818708196.db2.gz MTVNKBZNXHYRBW-HPUUJOOBSA-N -1 3 263.337 3.461 20 30 CGEDHM C#C[C@@H](CCCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802504 818708931 /nfs/dbraw/zinc/70/89/31/818708931.db2.gz GXWYHTDBCJGGJA-XDUBLRSXSA-N -1 3 261.321 3.074 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC(=O)CC1(C)C ZINC001233804323 818709481 /nfs/dbraw/zinc/70/94/81/818709481.db2.gz XAJRBZYQRHZBOH-ZXMBATIKSA-N -1 3 291.347 3.030 20 30 CGEDHM CC[C@H](Oc1ccc(/C=N/[O-])cc1OC)C(C)C ZINC001233806880 818710281 /nfs/dbraw/zinc/71/02/81/818710281.db2.gz JZVYWMDSKYRNGQ-DGGAMASNSA-N -1 3 251.326 3.317 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@H]2CCCN(c3ccccc3)C2)c1 ZINC001234144520 818789809 /nfs/dbraw/zinc/78/98/09/818789809.db2.gz PIYVFBGGDOQPMD-KRWDZBQOSA-N -1 3 294.354 3.312 20 30 CGEDHM CC(C)Oc1cncc(COc2cc([O-])cc(C#N)c2)c1 ZINC001234143714 818790426 /nfs/dbraw/zinc/79/04/26/818790426.db2.gz GPXTXGVEUIDSEH-UHFFFAOYSA-N -1 3 284.315 3.025 20 30 CGEDHM C[C@H](Cc1ccccc1)Oc1cc([O-])cc(C#N)c1 ZINC001234144607 818790808 /nfs/dbraw/zinc/79/08/08/818790808.db2.gz RDZWSROXEZFDDG-GFCCVEGCSA-N -1 3 253.301 3.274 20 30 CGEDHM CC(=O)Oc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001243364398 823370472 /nfs/dbraw/zinc/37/04/72/823370472.db2.gz MVQXUPSJTYYRAE-RQZCQDPDSA-N -1 3 273.263 3.226 20 30 CGEDHM CC(C)Oc1ncccc1-c1ccccc1C=N[O-] ZINC001236109963 819325244 /nfs/dbraw/zinc/32/52/44/819325244.db2.gz XRIGOWGHCPXAFS-UHFFFAOYSA-N -1 3 256.305 3.344 20 30 CGEDHM N#C[C@@H]1CCCCN1Cc1ccc(Br)c([O-])c1 ZINC001236688488 819573680 /nfs/dbraw/zinc/57/36/80/819573680.db2.gz VRVYLHRZJSKHJB-NSHDSACASA-N -1 3 295.180 3.033 20 30 CGEDHM CCCCN(CCC#N)Cc1sc(=O)[n-]c1Cl ZINC001237150275 819679180 /nfs/dbraw/zinc/67/91/80/819679180.db2.gz OELIMZMKXTZYRF-UHFFFAOYSA-N -1 3 273.789 3.018 20 30 CGEDHM COCc1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001239952998 820734040 /nfs/dbraw/zinc/73/40/40/820734040.db2.gz LFWBEPXOGHOBQE-RQZCQDPDSA-N -1 3 259.280 3.447 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccc3c(c2)NCCO3)cc1F ZINC001241489622 821891408 /nfs/dbraw/zinc/89/14/08/821891408.db2.gz OSHXWQOZJONHOD-GIJQJNRQSA-N -1 3 272.279 3.105 20 30 CGEDHM Cn1cc2c(cccc2-c2cc(/C=N/[O-])ccc2F)n1 ZINC001241584368 821969424 /nfs/dbraw/zinc/96/94/24/821969424.db2.gz XQYFXKYYALSOCG-CAOOACKPSA-N -1 3 269.279 3.188 20 30 CGEDHM Cn1cc2ccc(-c3ccccc3C=N[O-])cc2n1 ZINC001241605324 821986776 /nfs/dbraw/zinc/98/67/76/821986776.db2.gz ZKJCPNBHFNEJKR-UHFFFAOYSA-N -1 3 251.289 3.048 20 30 CGEDHM COC(=O)C1(c2ccc(-c3ccccc3C=N[O-])cc2)CC1 ZINC001241876234 822191420 /nfs/dbraw/zinc/19/14/20/822191420.db2.gz SRUMZZOVUOCVDF-UHFFFAOYSA-N -1 3 295.338 3.366 20 30 CGEDHM C#Cc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC001242293910 822941594 /nfs/dbraw/zinc/94/15/94/822941594.db2.gz RORNWWMVPWDJAV-UHFFFAOYSA-N -1 3 280.274 3.432 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3ncncc3c2)c1 ZINC001242513958 823016730 /nfs/dbraw/zinc/01/67/30/823016730.db2.gz HLOUGSJCXHHAOY-FBCYGCLPSA-N -1 3 267.263 3.244 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1cscc1Cl ZINC001347339181 936880281 /nfs/dbraw/zinc/88/02/81/936880281.db2.gz WEDMCSIIBDTBMX-QMMMGPOBSA-N -1 3 279.752 3.108 20 30 CGEDHM O=C(CC1CCC1)N([O-])Cc1ccccc1Cl ZINC001353963680 937084674 /nfs/dbraw/zinc/08/46/74/937084674.db2.gz SRGKCSUKMWNBDC-UHFFFAOYSA-N -1 3 253.729 3.248 20 30 CGEDHM C#C[C@@H]1CCC[C@@H]1Oc1cc(O)cc([O-])c1Br ZINC001229096372 932094382 /nfs/dbraw/zinc/09/43/82/932094382.db2.gz COSQOMMPBASNMP-KCJUWKMLSA-N -1 3 297.148 3.041 20 30 CGEDHM C#CC[C@@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229569608 932173022 /nfs/dbraw/zinc/17/30/22/932173022.db2.gz LYHDGPMONMECKY-MRVPVSSYSA-N -1 3 264.375 3.161 20 30 CGEDHM CC[C@H](C#Cc1ccccc1)Oc1nc(C)[n-]c(=O)c1C ZINC001229686503 932469458 /nfs/dbraw/zinc/46/94/58/932469458.db2.gz AZIJOONWVIDAGL-OAHLLOKOSA-N -1 3 282.343 3.008 20 30 CGEDHM C=C(C)C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=C)C ZINC001231076332 932672883 /nfs/dbraw/zinc/67/28/83/932672883.db2.gz JKXIYTQZCFSRIL-CQSZACIVSA-N -1 3 270.336 3.156 20 30 CGEDHM C=CC[C@@H](C=C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231086068 932675861 /nfs/dbraw/zinc/67/58/61/932675861.db2.gz CMJPGAMMBMGYBZ-SECBINFHSA-N -1 3 297.738 3.127 20 30 CGEDHM CCc1cccc(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001306896310 932891317 /nfs/dbraw/zinc/89/13/17/932891317.db2.gz RMTUJXVEIJVRGA-UHFFFAOYSA-N -1 3 298.386 3.498 20 30 CGEDHM Cc1nc(C)c(C(=O)N([O-])Cc2ccccc2Cl)s1 ZINC001306892476 932891383 /nfs/dbraw/zinc/89/13/83/932891383.db2.gz HFQUNRSPIZFORN-UHFFFAOYSA-N -1 3 296.779 3.445 20 30 CGEDHM C[C@@H]1CC[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001306900242 932892920 /nfs/dbraw/zinc/89/29/20/932892920.db2.gz KZOFGVPPVNKQJA-DGCLKSJQSA-N -1 3 265.328 3.370 20 30 CGEDHM CC(C)C[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306899807 932893459 /nfs/dbraw/zinc/89/34/59/932893459.db2.gz CLQVWJUQBJAZRF-LLVKDONJSA-N -1 3 253.317 3.226 20 30 CGEDHM N#CCOc1cc(F)ccc1NCc1ccc([O-])c(F)c1 ZINC001308675542 933156359 /nfs/dbraw/zinc/15/63/59/933156359.db2.gz DKMJJRGPFYQPPQ-UHFFFAOYSA-N -1 3 290.269 3.185 20 30 CGEDHM C=C[C@@H](C)ONC(=O)N([O-])Cc1cccc2ccccc21 ZINC001470679627 937756239 /nfs/dbraw/zinc/75/62/39/937756239.db2.gz IUFDMKUGKMYSPF-GFCCVEGCSA-N -1 3 286.331 3.247 20 30 CGEDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001472620331 937778267 /nfs/dbraw/zinc/77/82/67/937778267.db2.gz XYDZXZYUXNXJOS-FBKDDSFISA-N -1 3 297.782 3.117 20 30 CGEDHM CC1(C)C[C@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC001472620342 937778570 /nfs/dbraw/zinc/77/85/70/937778570.db2.gz YEXBZNYSNJFWSM-LLVKDONJSA-N -1 3 297.782 3.263 20 30 CGEDHM CCCCCCN([O-])C(=O)CCCC1CCOCC1 ZINC001472621215 937778679 /nfs/dbraw/zinc/77/86/79/937778679.db2.gz LNCBQGWUAVRPOA-UHFFFAOYSA-N -1 3 271.401 3.381 20 30 CGEDHM C=CCC[C@@H](NCc1ccc(Cl)cc1[O-])C(=O)OCC ZINC001474528588 937864916 /nfs/dbraw/zinc/86/49/16/937864916.db2.gz QZIMHWDOOVIMGK-CYBMUJFWSA-N -1 3 297.782 3.033 20 30 CGEDHM Cc1ccc(F)cc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001524706262 938044953 /nfs/dbraw/zinc/04/49/53/938044953.db2.gz YTQPAHLESOGNHF-GFCCVEGCSA-N -1 3 272.254 3.158 20 30 CGEDHM CCCCCCN([O-])C(=O)COc1ccc(F)c(F)c1 ZINC001559035284 938219340 /nfs/dbraw/zinc/21/93/40/938219340.db2.gz KMWZHFQYWLCZNJ-UHFFFAOYSA-N -1 3 287.306 3.142 20 30 CGEDHM CCN(Cc1ccc(Cl)cc1[O-])C[C@H](C)C#N ZINC001560693286 938270723 /nfs/dbraw/zinc/27/07/23/938270723.db2.gz CEHGUXYPNKPEGD-SNVBAGLBSA-N -1 3 252.745 3.027 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588558530 963285378 /nfs/dbraw/zinc/28/53/78/963285378.db2.gz AEMBABBGZDWRRW-OCCSQVGLSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588558530 963285391 /nfs/dbraw/zinc/28/53/91/963285391.db2.gz AEMBABBGZDWRRW-OCCSQVGLSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588558531 963287955 /nfs/dbraw/zinc/28/79/55/963287955.db2.gz AEMBABBGZDWRRW-TZMCWYRMSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588558531 963287967 /nfs/dbraw/zinc/28/79/67/963287967.db2.gz AEMBABBGZDWRRW-TZMCWYRMSA-N -1 3 298.394 3.117 20 30 CGEDHM O=C([O-])C[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC001606086606 973249112 /nfs/dbraw/zinc/24/91/12/973249112.db2.gz SLSGJWAGVATFFD-OAHLLOKOSA-N -1 3 291.778 3.021 20 30 CGEDHM C=CC[C@@H]1N(C(=O)c2cc(F)c[n-]c2=O)CCCC1(C)C ZINC000621975403 349616307 /nfs/dbraw/zinc/61/63/07/349616307.db2.gz FJGZDXFVOPMECY-ZDUSSCGKSA-N -1 3 292.354 3.133 20 30 CGEDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000045417944 345025518 /nfs/dbraw/zinc/02/55/18/345025518.db2.gz OPELQEHPLIVFTK-LBPRGKRZSA-N -1 3 280.327 3.063 20 30 CGEDHM Cc1cccc(NC(=O)c2ccc(C#N)cc2C)c1[O-] ZINC000119266065 345992595 /nfs/dbraw/zinc/99/25/95/345992595.db2.gz VHLMKDVPSHMNDA-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM CCCN(Cc1ccc(C#N)cc1)Cc1ncccc1[O-] ZINC000589158374 346785691 /nfs/dbraw/zinc/78/56/91/346785691.db2.gz KYWUHBMCBRRQFB-UHFFFAOYSA-N -1 3 281.359 3.071 20 30 CGEDHM C[C@H]1CCN(C(=O)CCCCC#N)c2c([O-])cccc21 ZINC000594341370 347170790 /nfs/dbraw/zinc/17/07/90/347170790.db2.gz OFQNQDOBZPUZHW-LBPRGKRZSA-N -1 3 272.348 3.316 20 30 CGEDHM C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)CC(F)(F)F ZINC000596272005 347408947 /nfs/dbraw/zinc/40/89/47/347408947.db2.gz XFJKDIAIZGRLGX-RXMQYKEDSA-N -1 3 283.706 3.090 20 30 CGEDHM N#CCCCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000597857017 347595831 /nfs/dbraw/zinc/59/58/31/347595831.db2.gz JIBJEYDMLLWYQD-UHFFFAOYSA-N -1 3 266.728 3.458 20 30 CGEDHM Cc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)ccc1[O-] ZINC000611528569 348458568 /nfs/dbraw/zinc/45/85/68/348458568.db2.gz IJXFUDXKABMVBQ-GFCCVEGCSA-N -1 3 280.327 3.063 20 30 CGEDHM C=C(C)C(C)(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616020337 348781780 /nfs/dbraw/zinc/78/17/80/348781780.db2.gz KLZZCXBIJGGGIP-UHFFFAOYSA-N -1 3 284.359 3.159 20 30 CGEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000617044823 348907635 /nfs/dbraw/zinc/90/76/35/348907635.db2.gz TVLZOWVUQWRFLF-SMDDNHRTSA-N -1 3 299.374 3.133 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccsc1C(F)(F)F ZINC000630458811 350843033 /nfs/dbraw/zinc/84/30/33/350843033.db2.gz GATMEMOJAJPOTN-VIFPVBQESA-N -1 3 293.310 3.276 20 30 CGEDHM Cc1cc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000633900275 351393229 /nfs/dbraw/zinc/39/32/29/351393229.db2.gz OQPSPPCAXFKKSK-LBPRGKRZSA-N -1 3 285.372 3.262 20 30 CGEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C#N)cc1Cl ZINC000292547330 198327623 /nfs/dbraw/zinc/32/76/23/198327623.db2.gz AQZPCAYANUKGDZ-VIFPVBQESA-N -1 3 281.743 3.311 20 30 CGEDHM CC(C)CO[N-]C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000158869247 188398297 /nfs/dbraw/zinc/39/82/97/188398297.db2.gz CBDDNEDSXHVESL-UHFFFAOYSA-N -1 3 275.352 3.197 20 30 CGEDHM N#Cc1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436766004 237177693 /nfs/dbraw/zinc/17/76/93/237177693.db2.gz CPMCNOUFSYIALU-YHYXMXQVSA-N -1 3 289.294 3.484 20 30 CGEDHM N#Cc1cccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436768876 237177974 /nfs/dbraw/zinc/17/79/74/237177974.db2.gz LJSJSHXYZVLIDH-RUDMXATFSA-N -1 3 289.294 3.484 20 30 CGEDHM N#Cc1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000010895348 368587741 /nfs/dbraw/zinc/58/77/41/368587741.db2.gz BQUUGGMVZHDLDC-UHFFFAOYSA-N -1 3 288.310 3.201 20 30 CGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccccc1[O-] ZINC000124427196 370925059 /nfs/dbraw/zinc/92/50/59/370925059.db2.gz OLMHAAGSJDSMCO-UHFFFAOYSA-N -1 3 297.354 3.229 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1F ZINC000048540414 369356837 /nfs/dbraw/zinc/35/68/37/369356837.db2.gz ITHMYWVTPCXAJE-LBPRGKRZSA-N -1 3 254.264 3.019 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000156933077 372001336 /nfs/dbraw/zinc/00/13/36/372001336.db2.gz WMUDZEUSWQNAAG-INIZCTEOSA-N -1 3 294.354 3.476 20 30 CGEDHM C#CCO[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000291186999 372135304 /nfs/dbraw/zinc/13/53/04/372135304.db2.gz GGJCSBHFZFCUHI-UHFFFAOYSA-N -1 3 292.187 3.059 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2cccc(CN(C)C)c2)n1 ZINC000436696223 372838013 /nfs/dbraw/zinc/83/80/13/372838013.db2.gz ICANGIBCXUKBCO-CQSZACIVSA-N -1 3 299.399 3.003 20 30 CGEDHM C=C(C)CN(CC)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000301738650 373801022 /nfs/dbraw/zinc/80/10/22/373801022.db2.gz SNULIJGPIFKGPT-UHFFFAOYSA-N -1 3 298.390 3.209 20 30 CGEDHM O=C(NCc1ncccc1[O-])[C@H]1CCCc2sccc21 ZINC000329922995 374442191 /nfs/dbraw/zinc/44/21/91/374442191.db2.gz IGRVHMWBKXXODK-NSHDSACASA-N -1 3 288.372 3.425 20 30 CGEDHM N#CCC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000336408117 375791622 /nfs/dbraw/zinc/79/16/22/375791622.db2.gz DBQOYMLZRBVHQE-UHFFFAOYSA-N -1 3 264.756 3.171 20 30 CGEDHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(C#N)cc1 ZINC000223095822 376245828 /nfs/dbraw/zinc/24/58/28/376245828.db2.gz LGNCUSUWGQAERS-LLVKDONJSA-N -1 3 270.307 3.254 20 30 CGEDHM N#Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000226760441 376371709 /nfs/dbraw/zinc/37/17/09/376371709.db2.gz ZWIODXUGKPEPEC-UHFFFAOYSA-N -1 3 269.285 3.042 20 30 CGEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000227023599 376379180 /nfs/dbraw/zinc/37/91/80/376379180.db2.gz XCZMQCYSKMXEIS-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM Cc1csc([N-]C(=O)c2c(C)onc2C2CC2)c1C#N ZINC000563161880 377410181 /nfs/dbraw/zinc/41/01/81/377410181.db2.gz ULORQAQLQHBFLG-UHFFFAOYSA-N -1 3 287.344 3.354 20 30 CGEDHM C=CCN(CC=C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000579119514 378131759 /nfs/dbraw/zinc/13/17/59/378131759.db2.gz OZKUOEOMERYQMW-UHFFFAOYSA-N -1 3 295.766 3.091 20 30 CGEDHM C=CCCc1ccccc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000353004058 380072100 /nfs/dbraw/zinc/07/21/00/380072100.db2.gz NQNAGXIHKAXONM-UHFFFAOYSA-N -1 3 298.342 3.172 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)o2)c([O-])c1 ZINC000353049386 380092490 /nfs/dbraw/zinc/09/24/90/380092490.db2.gz SHVPCHPCFRZBFA-UHFFFAOYSA-N -1 3 284.315 3.407 20 30 CGEDHM N#Cc1cc(NCc2c(F)ccc([O-])c2F)ccc1F ZINC000357714753 381263319 /nfs/dbraw/zinc/26/33/19/381263319.db2.gz IKAGYIVTBGFCCF-UHFFFAOYSA-N -1 3 278.233 3.293 20 30 CGEDHM CCCCCCCCOC(=O)c1cncc([O-])c1 ZINC000732391009 572462171 /nfs/dbraw/zinc/46/21/71/572462171.db2.gz CWPUOLJBSWIDRA-UHFFFAOYSA-N -1 3 251.326 3.305 20 30 CGEDHM CC(C)c1occc1C([O-])=C(C#N)c1ccccn1 ZINC000361661041 381862293 /nfs/dbraw/zinc/86/22/93/381862293.db2.gz DIHURUXSPJEJQH-LBPRGKRZSA-N -1 3 254.289 3.288 20 30 CGEDHM C=CCCN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000282002180 392270357 /nfs/dbraw/zinc/27/03/57/392270357.db2.gz WHMVJVQTRNHNCU-UHFFFAOYSA-N -1 3 273.254 3.059 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000120197229 392400079 /nfs/dbraw/zinc/40/00/79/392400079.db2.gz YWBYZVRERSIPOD-UHFFFAOYSA-N -1 3 296.417 3.010 20 30 CGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000120867594 392404806 /nfs/dbraw/zinc/40/48/06/392404806.db2.gz AYTGMZIQUMCKBQ-VIFPVBQESA-N -1 3 291.775 3.030 20 30 CGEDHM N#Cc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000179196074 392691156 /nfs/dbraw/zinc/69/11/56/392691156.db2.gz LXHUMKZFWPHIDX-UHFFFAOYSA-N -1 3 286.718 3.098 20 30 CGEDHM Cc1cncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000676104220 543382787 /nfs/dbraw/zinc/38/27/87/543382787.db2.gz XWHSYLQZGDNHPI-HNNXBMFYSA-N -1 3 287.322 3.428 20 30 CGEDHM N#Cc1csc(C(=O)[N-]c2c(F)cccc2F)c1 ZINC000084058735 287080524 /nfs/dbraw/zinc/08/05/24/287080524.db2.gz SUMUWBGPPJYNAC-UHFFFAOYSA-N -1 3 264.256 3.150 20 30 CGEDHM N#Cc1cc(F)c(C(=O)[N-]c2cccc(F)c2F)c(F)c1 ZINC000128611444 287314626 /nfs/dbraw/zinc/31/46/26/287314626.db2.gz VJJTXMMJXBFHJS-UHFFFAOYSA-N -1 3 294.207 3.367 20 30 CGEDHM C[C@H](OC1CCCCCC1)C(=O)[N-]c1nncn1C1CC1 ZINC000329105744 227300360 /nfs/dbraw/zinc/30/03/60/227300360.db2.gz HFOQJVQYKDUXMN-NSHDSACASA-N -1 3 292.383 3.329 20 30 CGEDHM CCCOc1ccc(/C=N/[C@H]2CCOC[C@H]2C)c([O-])c1 ZINC000277417350 263041119 /nfs/dbraw/zinc/04/11/19/263041119.db2.gz OYTFIOFMGJCIRP-DZVRYTODSA-N -1 3 277.364 3.025 20 30 CGEDHM C[C@H](CC#N)N(C)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290503497 263117265 /nfs/dbraw/zinc/11/72/65/263117265.db2.gz SQLQJAOQCCMMDY-SECBINFHSA-N -1 3 272.270 3.145 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C#N)c1ccc(CC)cc1 ZINC000294062559 263155296 /nfs/dbraw/zinc/15/52/96/263155296.db2.gz QBTAKRWJUGZCST-CYBMUJFWSA-N -1 3 278.302 3.141 20 30 CGEDHM CCOc1cc(CN(C)C[C@H](C)C#N)cc(Cl)c1[O-] ZINC000297739160 263208618 /nfs/dbraw/zinc/20/86/18/263208618.db2.gz KIHHCMGHHSGTBC-SNVBAGLBSA-N -1 3 282.771 3.036 20 30 CGEDHM Cc1ccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000298757715 263225285 /nfs/dbraw/zinc/22/52/85/263225285.db2.gz BERYADOJPMNLOE-BFNDQCEFSA-N -1 3 284.359 3.076 20 30 CGEDHM CC(C)(C)Cc1csc([N-]C(=O)c2cnns2)n1 ZINC000330690515 264003551 /nfs/dbraw/zinc/00/35/51/264003551.db2.gz WRDHZQZYQQQREP-UHFFFAOYSA-N -1 3 282.394 3.220 20 30 CGEDHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])C1CCOCC1 ZINC000331237411 264175393 /nfs/dbraw/zinc/17/53/93/264175393.db2.gz MXUNDWWVMAHURH-CQSZACIVSA-N -1 3 277.364 3.210 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]C1(c2nc(C)cs2)CCC1 ZINC000294272042 265008671 /nfs/dbraw/zinc/00/86/71/265008671.db2.gz LXSNAPVPUQMQGN-UHFFFAOYSA-N -1 3 286.347 3.158 20 30 CGEDHM CC(C)c1scnc1[N-]C(=O)c1sccc1C#N ZINC000335148938 278119621 /nfs/dbraw/zinc/11/96/21/278119621.db2.gz JDXMFHOJMMWNTO-UHFFFAOYSA-N -1 3 277.374 3.452 20 30 CGEDHM Cc1cc(Cl)cc(NC(=O)C2(C#N)CC(C)C2)c1[O-] ZINC000532010638 328388660 /nfs/dbraw/zinc/38/86/60/328388660.db2.gz JOIMFYBKKRIECL-UHFFFAOYSA-N -1 3 278.739 3.232 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1cccc(CC)c1[O-] ZINC000569418270 327174710 /nfs/dbraw/zinc/17/47/10/327174710.db2.gz LPLWCZFYRKYDFV-ZDUSSCGKSA-N -1 3 259.349 3.135 20 30 CGEDHM C=C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459340096 331276898 /nfs/dbraw/zinc/27/68/98/331276898.db2.gz OUFPCLQBMSAQEH-UHFFFAOYSA-N -1 3 282.181 3.307 20 30 CGEDHM Cc1ccc2nc(C([O-])=C(C#N)c3ccccn3)ccc2c1 ZINC000344742867 534490596 /nfs/dbraw/zinc/49/05/96/534490596.db2.gz PAVYXKJZUUKFSP-CQSZACIVSA-N -1 3 287.322 3.428 20 30 CGEDHM C=C1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000345552415 526893768 /nfs/dbraw/zinc/89/37/68/526893768.db2.gz SIHCEGBRSCZPKC-UHFFFAOYSA-N -1 3 277.339 3.033 20 30 CGEDHM CC(C)(CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1=CCCCC1 ZINC000330027172 526947600 /nfs/dbraw/zinc/94/76/00/526947600.db2.gz MRDDCKUUKQADJC-NSHDSACASA-N -1 3 293.367 3.112 20 30 CGEDHM CCN(Cc1cc([O-])cc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000356091565 528766943 /nfs/dbraw/zinc/76/69/43/528766943.db2.gz SNQYSZRNKALDFT-SNVBAGLBSA-N -1 3 286.297 3.393 20 30 CGEDHM CCOCc1cccc(N=Cc2cccc([O-])c2O)c1 ZINC000726429066 572576750 /nfs/dbraw/zinc/57/67/50/572576750.db2.gz IWNLYROPOYICFF-UHFFFAOYSA-N -1 3 271.316 3.385 20 30 CGEDHM CC(=NNc1ccc(Cl)nc1)c1ccc([O-])c(F)c1 ZINC000743450639 572662879 /nfs/dbraw/zinc/66/28/79/572662879.db2.gz UZGRDVMXSFJRTI-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM C=CCCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000735413533 572717606 /nfs/dbraw/zinc/71/76/06/572717606.db2.gz WKSLGVWVCXQDKD-UHFFFAOYSA-N -1 3 264.329 3.064 20 30 CGEDHM C=CCCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000735413533 572717611 /nfs/dbraw/zinc/71/76/11/572717611.db2.gz WKSLGVWVCXQDKD-UHFFFAOYSA-N -1 3 264.329 3.064 20 30 CGEDHM CC(=O)N1CCCc2cc(N=Cc3ccccc3[O-])ccc21 ZINC000749103764 572989106 /nfs/dbraw/zinc/98/91/06/572989106.db2.gz AYBOQUULUIUVON-UHFFFAOYSA-N -1 3 294.354 3.442 20 30 CGEDHM [O-]c1ccc(C=NNC2CCC(F)(F)CC2)c(F)c1 ZINC000901340497 620857331 /nfs/dbraw/zinc/85/73/31/620857331.db2.gz HDHIBLRPDVEDFY-UHFFFAOYSA-N -1 3 272.270 3.033 20 30 CGEDHM C#CC[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000833360431 605133921 /nfs/dbraw/zinc/13/39/21/605133921.db2.gz IFROGUOCTNBGNA-KRWDZBQOSA-N -1 3 297.329 3.378 20 30 CGEDHM C=CCCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000823894330 608588334 /nfs/dbraw/zinc/58/83/34/608588334.db2.gz NKJWLTVEGNBDHR-SECBINFHSA-N -1 3 292.774 3.072 20 30 CGEDHM C=CCCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000823894330 608588336 /nfs/dbraw/zinc/58/83/36/608588336.db2.gz NKJWLTVEGNBDHR-SECBINFHSA-N -1 3 292.774 3.072 20 30 CGEDHM COc1cc(C(=O)/C=C\c2cccnc2C)ccc1[O-] ZINC000255241146 618131941 /nfs/dbraw/zinc/13/19/41/618131941.db2.gz SJQXEZXQLANFPZ-ALCCZGGFSA-N -1 3 269.300 3.000 20 30 CGEDHM C=C[C@H](CC)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000900678558 620806330 /nfs/dbraw/zinc/80/63/30/620806330.db2.gz JMGINAUPUOBWSQ-LLVKDONJSA-N -1 3 251.301 3.146 20 30 CGEDHM CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1[O-] ZINC000926531103 618727467 /nfs/dbraw/zinc/72/74/67/618727467.db2.gz GDRLDDGFTVPUJO-BYCMXARLSA-N -1 3 296.374 3.207 20 30 CGEDHM Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1C ZINC000255771240 618790216 /nfs/dbraw/zinc/79/02/16/618790216.db2.gz NGMMRUYCSVMCJG-UHFFFAOYSA-N -1 3 257.289 3.171 20 30 CGEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000255882079 618843357 /nfs/dbraw/zinc/84/33/57/618843357.db2.gz AIIJKOFYVYNWQO-KYZBGHIMSA-N -1 3 283.755 3.195 20 30 CGEDHM C=CCC1(O)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000895835072 619894982 /nfs/dbraw/zinc/89/49/82/619894982.db2.gz YAHSQALHZPZSBC-UHFFFAOYSA-N -1 3 299.773 3.088 20 30 CGEDHM COC1(C/N=C/c2cc(Cl)ccc2[O-])CCCC1 ZINC000840705894 620077582 /nfs/dbraw/zinc/07/75/82/620077582.db2.gz HZWNHUNJSYOZGB-CXUHLZMHSA-N -1 3 267.756 3.424 20 30 CGEDHM CCc1oc(C(=O)N([O-])Cc2ccc(F)cc2)cc1C ZINC000901372040 620866481 /nfs/dbraw/zinc/86/64/81/620866481.db2.gz OBBSOKFRDSODOY-UHFFFAOYSA-N -1 3 277.295 3.321 20 30 CGEDHM CSc1cc(C(=O)N([O-])Cc2ccc(F)cc2)co1 ZINC000901373356 620867572 /nfs/dbraw/zinc/86/75/72/620867572.db2.gz XBUDLJYLYXRBRN-UHFFFAOYSA-N -1 3 281.308 3.172 20 30 CGEDHM COCc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901375102 620867862 /nfs/dbraw/zinc/86/78/62/620867862.db2.gz CFUVFJJJUHCPMW-UHFFFAOYSA-N -1 3 289.306 3.004 20 30 CGEDHM CC(C)n1cncc1/C=C1\CCc2cc([O-])ccc2C1=O ZINC000901469519 620896447 /nfs/dbraw/zinc/89/64/47/620896447.db2.gz BOYHTGPQPBVGIH-NTUHNPAUSA-N -1 3 282.343 3.382 20 30 CGEDHM C=CCN(Cc1cccs1)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000903595345 621773321 /nfs/dbraw/zinc/77/33/21/621773321.db2.gz LKZPOTJPNSUIJV-WCQYABFASA-N -1 3 267.394 3.235 20 30 CGEDHM O=C([C@@H]1CCCS1)N([O-])Cc1cccc2ccccc21 ZINC000904171057 621883918 /nfs/dbraw/zinc/88/39/18/621883918.db2.gz IUWZFVWLUFAYEM-HNNXBMFYSA-N -1 3 287.384 3.453 20 30 CGEDHM CC(C)=C(C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177625 621885656 /nfs/dbraw/zinc/88/56/56/621885656.db2.gz JTIKVPFQVKYDNM-UHFFFAOYSA-N -1 3 251.301 3.290 20 30 CGEDHM C=C(C)C(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178022 621885662 /nfs/dbraw/zinc/88/56/62/621885662.db2.gz WTJKMNSMGVAXQC-UHFFFAOYSA-N -1 3 251.301 3.146 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ocnc1C(F)F ZINC000904207304 621886122 /nfs/dbraw/zinc/88/61/22/621886122.db2.gz YLYHBBHZBLELJZ-UHFFFAOYSA-N -1 3 262.256 3.024 20 30 CGEDHM N#CC1(C(=O)N([O-])Cc2ccccc2Cl)CC2(CC2)C1 ZINC000904192464 621887344 /nfs/dbraw/zinc/88/73/44/621887344.db2.gz MQHBBMQRXZYBEY-UHFFFAOYSA-N -1 3 290.750 3.142 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc3c(c2)CCO3)ccc1[O-] ZINC000054802351 622798554 /nfs/dbraw/zinc/79/85/54/622798554.db2.gz SZIWSVGPPNTVDX-DJWKRKHSSA-N -1 3 296.322 3.232 20 30 CGEDHM CSC1(C/N=C/c2cc(Cl)ccc2[O-])CCOCC1 ZINC000158162779 623010069 /nfs/dbraw/zinc/01/00/69/623010069.db2.gz ORCINIJEIBYXOT-CXUHLZMHSA-N -1 3 299.823 3.377 20 30 CGEDHM CC(=NO[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000755817096 626650126 /nfs/dbraw/zinc/65/01/26/626650126.db2.gz YBIUASNGDHRDLU-CYBMUJFWSA-N -1 3 269.728 3.313 20 30 CGEDHM N#CC1CCC(COC(=O)c2cc(-c3ccco3)[n-]n2)CC1 ZINC000755964454 626664201 /nfs/dbraw/zinc/66/42/01/626664201.db2.gz QFDDTZBFHMGDKI-UHFFFAOYSA-N -1 3 299.330 3.156 20 30 CGEDHM N#CC1CCC(COC(=O)c2cc(-c3ccco3)n[n-]2)CC1 ZINC000755964454 626664203 /nfs/dbraw/zinc/66/42/03/626664203.db2.gz QFDDTZBFHMGDKI-UHFFFAOYSA-N -1 3 299.330 3.156 20 30 CGEDHM C#CCCCCCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000760276800 626953720 /nfs/dbraw/zinc/95/37/20/626953720.db2.gz QZPJMJUDTISKOD-UHFFFAOYSA-N -1 3 286.331 3.329 20 30 CGEDHM C#CCCCCCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000760276800 626953723 /nfs/dbraw/zinc/95/37/23/626953723.db2.gz QZPJMJUDTISKOD-UHFFFAOYSA-N -1 3 286.331 3.329 20 30 CGEDHM CC(=NNCc1ccc(C#N)cc1)c1cc(Cl)ccc1[O-] ZINC000769816166 627580177 /nfs/dbraw/zinc/58/01/77/627580177.db2.gz SWGOBURFPLBSNG-UHFFFAOYSA-N -1 3 299.761 3.431 20 30 CGEDHM CCC(=NNc1ccnc(F)c1)c1ccc([O-])c(F)c1 ZINC000781132721 628539885 /nfs/dbraw/zinc/53/98/85/628539885.db2.gz IDNIUZIYTZYPTE-UHFFFAOYSA-N -1 3 277.274 3.292 20 30 CGEDHM CC(=NNc1ncccc1C)c1cc(F)ccc1[O-] ZINC000790191531 629192178 /nfs/dbraw/zinc/19/21/78/629192178.db2.gz VZSOHSHHVWPGDX-UHFFFAOYSA-N -1 3 259.284 3.071 20 30 CGEDHM CCCCCCCCCNC(=O)NCc1ncccc1[O-] ZINC000791994374 629326079 /nfs/dbraw/zinc/32/60/79/629326079.db2.gz FYSYCFASFMZRIU-UHFFFAOYSA-N -1 3 293.411 3.337 20 30 CGEDHM CCOCC(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863129952 629481390 /nfs/dbraw/zinc/48/13/90/629481390.db2.gz ZEOCQNCDSDUTFV-UHFFFAOYSA-N -1 3 276.365 3.117 20 30 CGEDHM O=C1c2ccccc2OC/C1=C\c1c(F)ccc([O-])c1F ZINC000794932859 629601389 /nfs/dbraw/zinc/60/13/89/629601389.db2.gz ZTJMPAGLMOQLOG-VQHVLOKHSA-N -1 3 288.249 3.329 20 30 CGEDHM O=C1c2ccc(F)cc2O/C1=C\c1c(F)ccc([O-])c1F ZINC000794942524 629603895 /nfs/dbraw/zinc/60/38/95/629603895.db2.gz BLZAIKKGTRPUIP-MLPAPPSSSA-N -1 3 292.212 3.426 20 30 CGEDHM CC(=NNCC1CCCC1)c1cc(F)ccc1[O-] ZINC000808006154 630616417 /nfs/dbraw/zinc/61/64/17/630616417.db2.gz RPUKJYCZQVCORA-UHFFFAOYSA-N -1 3 250.317 3.035 20 30 CGEDHM N#CCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810652122 630917223 /nfs/dbraw/zinc/91/72/23/630917223.db2.gz XARDKBMPIDBBDQ-UHFFFAOYSA-N -1 3 268.725 3.343 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000812593982 631277031 /nfs/dbraw/zinc/27/70/31/631277031.db2.gz WPBQTLPSJNGZJW-RDJZCZTQSA-N -1 3 293.322 3.224 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(Cl)cn1 ZINC000816323926 631925492 /nfs/dbraw/zinc/92/54/92/631925492.db2.gz RGGBIRGBJUHPPM-QMMMGPOBSA-N -1 3 274.698 3.124 20 30 CGEDHM C=C(Br)CNCc1cc(Cl)c(F)cc1[O-] ZINC000816548733 632007552 /nfs/dbraw/zinc/00/75/52/632007552.db2.gz QUKBNKCPSNRHNP-UHFFFAOYSA-N -1 3 294.551 3.183 20 30 CGEDHM Cc1csc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])n1 ZINC000866256283 633047607 /nfs/dbraw/zinc/04/76/07/633047607.db2.gz IKMBNVBVCYZDRE-WDEREUQCSA-N -1 3 287.388 3.441 20 30 CGEDHM CCCCCCCCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825034052 633320226 /nfs/dbraw/zinc/32/02/26/633320226.db2.gz AREUUMRQGSIJBK-UHFFFAOYSA-N -1 3 291.395 3.083 20 30 CGEDHM C=CCN(CCC#N)Cc1ccc(Br)cc1[O-] ZINC000825959680 633392737 /nfs/dbraw/zinc/39/27/37/633392737.db2.gz QWAWKCDXWMGJFH-UHFFFAOYSA-N -1 3 295.180 3.056 20 30 CGEDHM N#CC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826861618 633438343 /nfs/dbraw/zinc/43/83/43/633438343.db2.gz HLWAMFDONHGUHY-SNVBAGLBSA-N -1 3 282.746 3.310 20 30 CGEDHM CC(=NN[C@@H](C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000834996826 634304990 /nfs/dbraw/zinc/30/49/90/634304990.db2.gz WOQWORIAUNSVAW-ZETCQYMHSA-N -1 3 280.677 3.310 20 30 CGEDHM C=CCO[N-]C(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC000837690394 634966288 /nfs/dbraw/zinc/96/62/88/634966288.db2.gz HWVQQISULRFJPF-UHFFFAOYSA-N -1 3 267.756 3.143 20 30 CGEDHM Cc1cc([O-])c(C=NN[C@@H]2CCOC(C)(C)C2)c(Cl)c1 ZINC000841637289 635205185 /nfs/dbraw/zinc/20/51/85/635205185.db2.gz HJRPLPSSWDXSKK-LLVKDONJSA-N -1 3 296.798 3.235 20 30 CGEDHM C[C@H](O[N-]C(=O)CC(C)(C)C)c1ccc(C#N)cc1 ZINC000842061030 635271381 /nfs/dbraw/zinc/27/13/81/635271381.db2.gz HOGVQEXJHAHFLY-NSHDSACASA-N -1 3 260.337 3.103 20 30 CGEDHM CC(C)(C)CC(=O)[N-]OCc1ccc(C#N)cc1Cl ZINC000842060998 635271420 /nfs/dbraw/zinc/27/14/20/635271420.db2.gz GGDDLLABZWZAJR-UHFFFAOYSA-N -1 3 280.755 3.196 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1cc(Cl)ccc1Cl ZINC000846539957 636196158 /nfs/dbraw/zinc/19/61/58/636196158.db2.gz QFCMHVBKZRTLKG-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC000846553616 636202159 /nfs/dbraw/zinc/20/21/59/636202159.db2.gz FATWKZCRKIQCQK-LBPRGKRZSA-N -1 3 293.338 3.191 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCCS1 ZINC000129345577 636220486 /nfs/dbraw/zinc/22/04/86/636220486.db2.gz LEIPWOAREAZUFP-LLUUXILJSA-N -1 3 255.770 3.360 20 30 CGEDHM C#C[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000848279584 636550521 /nfs/dbraw/zinc/55/05/21/636550521.db2.gz OTIYRMRGNVAHLU-LLVKDONJSA-N -1 3 285.368 3.092 20 30 CGEDHM C[C@H]1CCCCN1N=Cc1ccc(Br)cc1[O-] ZINC000853385427 637832631 /nfs/dbraw/zinc/83/26/31/637832631.db2.gz XYGFCFBBDCVSRX-JTQLQIEISA-N -1 3 297.196 3.363 20 30 CGEDHM N#Cc1cc(-c2ccc(=O)[n-]c2F)cc(N2CCCC2)c1 ZINC000854188985 638011743 /nfs/dbraw/zinc/01/17/43/638011743.db2.gz FZMPSPGQZVRMQD-UHFFFAOYSA-N -1 3 283.306 3.065 20 30 CGEDHM C#C[C@](C)(CC)NC(=O)c1cc2sccc2c([O-])c1 ZINC000854702548 638093595 /nfs/dbraw/zinc/09/35/95/638093595.db2.gz SMUXHTUUJNCXGX-OAHLLOKOSA-N -1 3 273.357 3.139 20 30 CGEDHM C[C@H](C#N)N(C(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000855583379 638219188 /nfs/dbraw/zinc/21/91/88/638219188.db2.gz XRLBAEOREACCFB-LLVKDONJSA-N -1 3 280.327 3.062 20 30 CGEDHM N#CCN(Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000093563237 640775351 /nfs/dbraw/zinc/77/53/51/640775351.db2.gz AXHKCRIXRHLNPP-UHFFFAOYSA-N -1 3 264.756 3.314 20 30 CGEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001116098457 802299911 /nfs/dbraw/zinc/29/99/11/802299911.db2.gz DSPBYTCMSLKQJU-UHFFFAOYSA-N -1 3 280.101 3.301 20 30 CGEDHM CO[C@@H]1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC001116733912 802401638 /nfs/dbraw/zinc/40/16/38/802401638.db2.gz NMCLLXZKEUUTSP-AQXMUXADSA-N -1 3 253.729 3.032 20 30 CGEDHM N#CC(=C([O-])c1ccoc1)c1nccn1Cc1ccccc1 ZINC001122704585 802880891 /nfs/dbraw/zinc/88/08/91/802880891.db2.gz SQJOGLJSGOGRFL-HNNXBMFYSA-N -1 3 291.310 3.014 20 30 CGEDHM N#Cc1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)co1 ZINC001127642625 803150332 /nfs/dbraw/zinc/15/03/32/803150332.db2.gz FDNXYFDSRSERBQ-UHFFFAOYSA-N -1 3 282.633 3.335 20 30 CGEDHM N#Cc1c[nH]c2cc(-c3ccc([O-])cc3Cl)cnc12 ZINC001245081560 803636220 /nfs/dbraw/zinc/63/62/20/803636220.db2.gz ITBBTXDEUWVTNL-UHFFFAOYSA-N -1 3 269.691 3.461 20 30 CGEDHM N#Cc1ncc(Cl)cc1Nc1ccc([O-])c(F)c1F ZINC001212005685 814965538 /nfs/dbraw/zinc/96/55/38/814965538.db2.gz QMXROAYHFPNABV-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM COc1nc(C)c(-c2c([O-])cccc2F)c(C)c1C#N ZINC001245654477 803886976 /nfs/dbraw/zinc/88/69/76/803886976.db2.gz RZMTYBSMDRGBNS-UHFFFAOYSA-N -1 3 272.279 3.090 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(N)c(Cl)c2)c1 ZINC001212116020 814978161 /nfs/dbraw/zinc/97/81/61/814978161.db2.gz RAQXZNFBSBXOSW-UHFFFAOYSA-N -1 3 259.696 3.243 20 30 CGEDHM N#Cc1ccc(NC(=S)Nc2ccc([O-])c(F)c2)cc1 ZINC001245914421 804041814 /nfs/dbraw/zinc/04/18/14/804041814.db2.gz PEIDDNDVVFGJGF-UHFFFAOYSA-N -1 3 287.319 3.212 20 30 CGEDHM N#Cc1cc(NC(=O)c2nccc3ccccc32)ccc1[O-] ZINC001149151076 805222083 /nfs/dbraw/zinc/22/20/83/805222083.db2.gz XGMAOPQMQHWJMT-UHFFFAOYSA-N -1 3 289.294 3.064 20 30 CGEDHM N#Cc1cnn(-c2ccccc2)c1Nc1c([O-])cccc1F ZINC001249989447 805347922 /nfs/dbraw/zinc/34/79/22/805347922.db2.gz ZGGWGJRPLFIXEL-UHFFFAOYSA-N -1 3 294.289 3.332 20 30 CGEDHM N#Cc1cc(Nc2c([O-])cccc2F)cc(F)c1F ZINC001249996225 805354144 /nfs/dbraw/zinc/35/41/44/805354144.db2.gz OSUCRDKCSUKLNY-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM CCNC(=O)Nc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001174520947 809059770 /nfs/dbraw/zinc/05/97/70/809059770.db2.gz VZHQCNWMFCCWQR-UHFFFAOYSA-N -1 3 296.330 3.149 20 30 CGEDHM Cc1ccc(CCC(=O)Nc2ccc([O-])c(C#N)c2)s1 ZINC001175614330 809473472 /nfs/dbraw/zinc/47/34/72/809473472.db2.gz VPUVGYQDQZMJKE-UHFFFAOYSA-N -1 3 286.356 3.205 20 30 CGEDHM Cc1cc(Nc2cc(C#N)ccc2[O-])cc(C)c1N ZINC001175937096 809575052 /nfs/dbraw/zinc/57/50/52/809575052.db2.gz MOXCQSAGKBUXGZ-UHFFFAOYSA-N -1 3 253.305 3.207 20 30 CGEDHM COCOc1ccc(Nc2cc(C#N)ccc2[O-])cc1F ZINC001176189909 809644187 /nfs/dbraw/zinc/64/41/87/809644187.db2.gz ORJRFUWYDQFTDM-UHFFFAOYSA-N -1 3 288.278 3.129 20 30 CGEDHM N#Cc1ccc(Nc2cc([O-])cc(Cl)c2)c(O)c1 ZINC001176625148 809733661 /nfs/dbraw/zinc/73/36/61/809733661.db2.gz XLPXJXFHDRPMDW-UHFFFAOYSA-N -1 3 260.680 3.366 20 30 CGEDHM Cc1ccnc(C#N)c1Nc1cc([O-])cc(Cl)c1 ZINC001176625414 809734247 /nfs/dbraw/zinc/73/42/47/809734247.db2.gz UGOGYKGCHPTZCH-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM O=C(Cc1ccccc1)N([O-])Cc1ccccc1Cl ZINC001184283850 810189150 /nfs/dbraw/zinc/18/91/50/810189150.db2.gz SNHKFPIMIZLWMG-UHFFFAOYSA-N -1 3 275.735 3.301 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2cccc(Cl)c2C)c1C#N ZINC001184646121 810213090 /nfs/dbraw/zinc/21/30/90/810213090.db2.gz ZOWHJDSVPXNSBR-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM C=C(C)Cc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001190217217 810612419 /nfs/dbraw/zinc/61/24/19/810612419.db2.gz PBDFCMPDWQFSLL-UHFFFAOYSA-N -1 3 282.343 3.467 20 30 CGEDHM C=CCOC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001194334282 811054206 /nfs/dbraw/zinc/05/42/06/811054206.db2.gz FHKDKYUGOGVWHF-UHFFFAOYSA-N -1 3 292.722 3.006 20 30 CGEDHM CCCCCCCCCNS(=O)(=O)c1ccc([O-])cc1 ZINC001195820872 811293993 /nfs/dbraw/zinc/29/39/93/811293993.db2.gz QSYQLLDNMMCYAZ-UHFFFAOYSA-N -1 3 299.436 3.421 20 30 CGEDHM CCc1cccc(NC(=O)Nc2ccc([O-])cc2C#N)c1 ZINC001202886237 812193847 /nfs/dbraw/zinc/19/38/47/812193847.db2.gz BQWHWZXDNSEPJC-UHFFFAOYSA-N -1 3 281.315 3.470 20 30 CGEDHM Cc1cc([O-])cc(Nc2c(C)cc(C#N)cc2C#N)c1 ZINC001215517253 815528393 /nfs/dbraw/zinc/52/83/93/815528393.db2.gz AFRSIIUIGUTIFI-UHFFFAOYSA-N -1 3 263.300 3.496 20 30 CGEDHM CC(C)n1ncc(C#N)c1Nc1cc(F)c([O-])cc1F ZINC001215572196 815536969 /nfs/dbraw/zinc/53/69/69/815536969.db2.gz POTONADBHZJFDW-UHFFFAOYSA-N -1 3 278.262 3.063 20 30 CGEDHM COc1cc(C)cc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001215709422 815563966 /nfs/dbraw/zinc/56/39/66/815563966.db2.gz TVUMEDBUNDYDAY-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM N#Cc1cc(F)cc(-c2noc(-c3cc([O-])ccc3F)n2)c1 ZINC001215749650 815573884 /nfs/dbraw/zinc/57/38/84/815573884.db2.gz MQJMEIAFGMKNMY-UHFFFAOYSA-N -1 3 299.236 3.259 20 30 CGEDHM N#CCc1cc(-c2ccc([O-])cc2F)ccc1C#N ZINC001206057895 813185825 /nfs/dbraw/zinc/18/58/25/813185825.db2.gz UIIVXOTXFOYQFL-UHFFFAOYSA-N -1 3 252.248 3.136 20 30 CGEDHM N#Cc1cc(Nc2ccc(Cl)cc2[O-])ccc1O ZINC001210529370 814511191 /nfs/dbraw/zinc/51/11/91/814511191.db2.gz OLOBBQQTVFPQOA-UHFFFAOYSA-N -1 3 260.680 3.366 20 30 CGEDHM N#Cc1c(F)cncc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242782501 823131639 /nfs/dbraw/zinc/13/16/39/823131639.db2.gz SGNXCKBYEMDREE-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM N#Cc1cccnc1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210823371 814645063 /nfs/dbraw/zinc/64/50/63/814645063.db2.gz YOAISIOPIRUZPX-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM CCc1cccc([O-])c1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211332885 814879864 /nfs/dbraw/zinc/87/98/64/814879864.db2.gz ADAKPDRFHQQWLF-UHFFFAOYSA-N -1 3 283.287 3.478 20 30 CGEDHM CCOc1ccc(Nc2cc(C#N)ccc2[O-])c(OCC)n1 ZINC001211473890 814896138 /nfs/dbraw/zinc/89/61/38/814896138.db2.gz IEOFIQFIGUDXHD-UHFFFAOYSA-N -1 3 299.330 3.200 20 30 CGEDHM COc1ncc(Nc2sc(C)c(C)c2C#N)cc1[O-] ZINC001216206130 815737876 /nfs/dbraw/zinc/73/78/76/815737876.db2.gz JNLAKEBQQMBKJN-UHFFFAOYSA-N -1 3 275.333 3.089 20 30 CGEDHM N#Cc1cccc([O-])c1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216484123 815837803 /nfs/dbraw/zinc/83/78/03/815837803.db2.gz FWWCAIGJBWDAMW-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM Cc1noc2ccc(Nc3cc(C#N)ccc3[O-])cc12 ZINC001216641119 815884212 /nfs/dbraw/zinc/88/42/12/815884212.db2.gz MNQFEGPMIJCLPO-UHFFFAOYSA-N -1 3 265.272 3.457 20 30 CGEDHM C=C[C@]1(C)CC[C@H](Oc2[n-]c(=S)ncc2C)C(C)(C)O1 ZINC001225741233 817163589 /nfs/dbraw/zinc/16/35/89/817163589.db2.gz SPFDCJYMTLQZNW-XHDPSFHLSA-N -1 3 294.420 3.355 20 30 CGEDHM N#C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1 ZINC001226117544 817278731 /nfs/dbraw/zinc/27/87/31/817278731.db2.gz QDQWPLUAUCFWFH-ZDUSSCGKSA-N -1 3 283.356 3.286 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ncc2C(C)=O)C1 ZINC001226239111 817306562 /nfs/dbraw/zinc/30/65/62/817306562.db2.gz GDFFPHAQSAXEDT-GXTWGEPZSA-N -1 3 288.347 3.065 20 30 CGEDHM C#C[C@@H](Oc1[n-]c(=O)nc2ccc(F)cc21)c1ccccc1 ZINC001226408335 817349430 /nfs/dbraw/zinc/34/94/30/817349430.db2.gz ISKBHMQXDHBTFF-OAHLLOKOSA-N -1 3 294.285 3.228 20 30 CGEDHM C=CCOc1ccccc1[C@H](C)Oc1cc(=O)[n-]c(C)n1 ZINC001226512595 817380813 /nfs/dbraw/zinc/38/08/13/817380813.db2.gz RYAMTYHMSALRLI-NSHDSACASA-N -1 3 286.331 3.195 20 30 CGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccnc(=S)[n-]2)O1 ZINC001226938598 817509893 /nfs/dbraw/zinc/50/98/93/817509893.db2.gz CBXJUQFONPVXPX-IINYFYTJSA-N -1 3 280.393 3.046 20 30 CGEDHM Cc1cccc(OC[C@H](C)Oc2cc(C#N)ccc2[O-])c1 ZINC001227351682 817630922 /nfs/dbraw/zinc/63/09/22/817630922.db2.gz XIQKOZKJANYHBV-ZDUSSCGKSA-N -1 3 283.327 3.419 20 30 CGEDHM C=CCC(CC=C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746827 817710793 /nfs/dbraw/zinc/71/07/93/817710793.db2.gz VVEFCTMHHFKHLS-UHFFFAOYSA-N -1 3 273.292 3.371 20 30 CGEDHM C=CCC(CC=C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746827 817710798 /nfs/dbraw/zinc/71/07/98/817710798.db2.gz VVEFCTMHHFKHLS-UHFFFAOYSA-N -1 3 273.292 3.371 20 30 CGEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ncc(Cl)cc1[O-] ZINC001227980525 817771693 /nfs/dbraw/zinc/77/16/93/817771693.db2.gz PGJZZKMBIIFTRD-JTQLQIEISA-N -1 3 299.754 3.106 20 30 CGEDHM [O-]c1ccccc1N=CC=Nc1ccccc1OC1COC1 ZINC001228124034 817817585 /nfs/dbraw/zinc/81/75/85/817817585.db2.gz HUGGYTRXVHSBSZ-UHFFFAOYSA-N -1 3 296.326 3.275 20 30 CGEDHM C#C[C@H](CCCC)Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1 ZINC001228672783 817968696 /nfs/dbraw/zinc/96/86/96/817968696.db2.gz AYHHWEMWRNDPPF-LLVKDONJSA-N -1 3 287.319 3.350 20 30 CGEDHM C#C[C@H](CCCC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228672783 817968701 /nfs/dbraw/zinc/96/87/01/817968701.db2.gz AYHHWEMWRNDPPF-LLVKDONJSA-N -1 3 287.319 3.350 20 30 CGEDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ccccc2C#N)c1[N+](=O)[O-] ZINC001228689680 817973401 /nfs/dbraw/zinc/97/34/01/817973401.db2.gz WIZGTELETUOCNE-JTQLQIEISA-N -1 3 299.286 3.016 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695657 817975427 /nfs/dbraw/zinc/97/54/27/817975427.db2.gz OOJHVOLRQNUVIA-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695657 817975435 /nfs/dbraw/zinc/97/54/35/817975435.db2.gz OOJHVOLRQNUVIA-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695657 817975443 /nfs/dbraw/zinc/97/54/43/817975443.db2.gz OOJHVOLRQNUVIA-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@H](CCCCC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117829 818034516 /nfs/dbraw/zinc/03/45/16/818034516.db2.gz HMYIKYMQXWPJSF-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@H](CCCCC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117829 818034520 /nfs/dbraw/zinc/03/45/20/818034520.db2.gz HMYIKYMQXWPJSF-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM N#CCCN(Cc1ccccc1)Cc1cccc([O-])c1F ZINC001233048577 818509872 /nfs/dbraw/zinc/50/98/72/818509872.db2.gz GSZYUCPNSKIAOF-UHFFFAOYSA-N -1 3 284.334 3.447 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ccncc1 ZINC001233800028 818706799 /nfs/dbraw/zinc/70/67/99/818706799.db2.gz NRHHZWGSFQEESH-JDAJCMJVSA-N -1 3 272.304 3.038 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCc2ccccc2C1 ZINC001233803512 818708479 /nfs/dbraw/zinc/70/84/79/818708479.db2.gz QJEABHGUHOACAW-QUYZQLMHSA-N -1 3 297.354 3.440 20 30 CGEDHM Cc1cccc(OC[C@@H](C)Oc2cc([O-])cc(C#N)c2)c1 ZINC001234144753 818790100 /nfs/dbraw/zinc/79/01/00/818790100.db2.gz UWTWWYZDTKBVHP-CYBMUJFWSA-N -1 3 283.327 3.419 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@H](c2cccnc2)C2CC2)c1 ZINC001234144128 818790196 /nfs/dbraw/zinc/79/01/96/818790196.db2.gz JLCMNKZOYRDGJH-INIZCTEOSA-N -1 3 266.300 3.189 20 30 CGEDHM COc1ccccc1[C@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234142417 818791160 /nfs/dbraw/zinc/79/11/60/818791160.db2.gz UWUVWGANKQTYAF-NSHDSACASA-N -1 3 269.300 3.412 20 30 CGEDHM CC(=O)Oc1ccc(-c2cccc(/C=N/[O-])c2)cc1 ZINC001243364774 823371188 /nfs/dbraw/zinc/37/11/88/823371188.db2.gz AGMPMAFBJVCMJR-MHWRWJLKSA-N -1 3 255.273 3.087 20 30 CGEDHM CC#CC[C@@H](CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234692957 818917242 /nfs/dbraw/zinc/91/72/42/818917242.db2.gz RWXHXSOGMCPFTA-CQSZACIVSA-N -1 3 282.343 3.420 20 30 CGEDHM CCC#C[C@@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791797 818924689 /nfs/dbraw/zinc/92/46/89/818924689.db2.gz RHNLPKJNJOQUKQ-SNVBAGLBSA-N -1 3 276.332 3.093 20 30 CGEDHM Cc1ccc(F)c(-c2ccnc3[nH]cc(C#N)c32)c1[O-] ZINC001236404103 819453072 /nfs/dbraw/zinc/45/30/72/819453072.db2.gz NHMURIFIJKIXLH-UHFFFAOYSA-N -1 3 267.263 3.255 20 30 CGEDHM CC1(C)CCCc2cc(C#N)c(-c3cncc([O-])c3)nc21 ZINC001236579235 819542630 /nfs/dbraw/zinc/54/26/30/819542630.db2.gz WSZSIQYFWLRDQV-UHFFFAOYSA-N -1 3 279.343 3.335 20 30 CGEDHM N#Cc1ncc(-c2ccc3c(c2)[N-]C(=S)C3)cc1F ZINC001238995165 820188231 /nfs/dbraw/zinc/18/82/31/820188231.db2.gz IWXGVUODHJBLJO-UHFFFAOYSA-N -1 3 269.304 3.055 20 30 CGEDHM COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cc1OC ZINC001239617262 820463088 /nfs/dbraw/zinc/46/30/88/820463088.db2.gz IRRGCHAYGKXPFO-SDXDJHTJSA-N -1 3 283.327 3.495 20 30 CGEDHM COCc1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001239953285 820734528 /nfs/dbraw/zinc/73/45/28/820734528.db2.gz QLGAXSRKTPGHCQ-RQZCQDPDSA-N -1 3 259.280 3.447 20 30 CGEDHM [O-]/N=C/c1cccc(-c2cnn([C@@H]3CCCCO3)c2)c1 ZINC001240678707 821237805 /nfs/dbraw/zinc/23/78/05/821237805.db2.gz VTLJQJSATFQONS-ZUZCKIMGSA-N -1 3 271.320 3.057 20 30 CGEDHM N#CC1(c2ccc(-c3ccc([O-])c(F)c3)nc2)CCOCC1 ZINC001240782948 821322389 /nfs/dbraw/zinc/32/23/89/821322389.db2.gz LMJOJHHYYGQPEJ-UHFFFAOYSA-N -1 3 298.317 3.165 20 30 CGEDHM Cc1cccc(-c2ccc3c(c2)CC/C3=N/[O-])c1O ZINC001242347877 822959316 /nfs/dbraw/zinc/95/93/16/822959316.db2.gz VAJPNJDUSRSQON-ICFOKQHNSA-N -1 3 253.301 3.492 20 30 CGEDHM N#CCCOc1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242351928 822961973 /nfs/dbraw/zinc/96/19/73/822961973.db2.gz BVEVVJVMUYAFRX-UHFFFAOYSA-N -1 3 257.264 3.491 20 30 CGEDHM COc1ccc(-c2ccc([O-])c(C#N)c2)cc1CC#N ZINC001242564536 823034175 /nfs/dbraw/zinc/03/41/75/823034175.db2.gz FTVYGPQPPARILB-UHFFFAOYSA-N -1 3 264.284 3.006 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1sccc1C1CC1 ZINC001346095786 936837745 /nfs/dbraw/zinc/83/77/45/936837745.db2.gz JEVNZXRDMNJYKU-GFCCVEGCSA-N -1 3 285.372 3.332 20 30 CGEDHM N#CC(=C([O-])c1csc(Cl)c1)c1cccc(F)n1 ZINC001347173400 936872573 /nfs/dbraw/zinc/87/25/73/936872573.db2.gz ZIMQKQAPGHHQOO-MRVPVSSYSA-N -1 3 280.711 3.426 20 30 CGEDHM C=C[C@H](CCC)Oc1ncc(Br)cc1[O-] ZINC001228956929 927312296 /nfs/dbraw/zinc/31/22/96/927312296.db2.gz SJBMBWIOLGUDAF-SECBINFHSA-N -1 3 272.142 3.283 20 30 CGEDHM N#Cc1cc([N-]c2nonc2C2CC2)ccc1Cl ZINC001174402505 928231603 /nfs/dbraw/zinc/23/16/03/928231603.db2.gz KIUIDFTWMUYUID-UHFFFAOYSA-N -1 3 260.684 3.216 20 30 CGEDHM CCc1cccnc1C(=O)N([O-])CCCCc1ccccc1 ZINC001458010087 937448290 /nfs/dbraw/zinc/44/82/90/937448290.db2.gz SSPZRCGYQPGLRQ-UHFFFAOYSA-N -1 3 298.386 3.498 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ccc(C(C)C)[nH]c1=O ZINC001458008779 937448791 /nfs/dbraw/zinc/44/87/91/937448791.db2.gz BSHDBRWNADNTJY-UHFFFAOYSA-N -1 3 280.368 3.322 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1cccc(COC)c1 ZINC001458012935 937448812 /nfs/dbraw/zinc/44/88/12/937448812.db2.gz YTCYWLVRJKBSTJ-UHFFFAOYSA-N -1 3 279.380 3.174 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)SCc1ccccc1 ZINC001458025335 937449308 /nfs/dbraw/zinc/44/93/08/937449308.db2.gz TYQPDTFLMLLORM-LBPRGKRZSA-N -1 3 267.394 3.326 20 30 CGEDHM CCCCN([O-])C(=O)c1nc(C(C)(C)C)cs1 ZINC001458023606 937449502 /nfs/dbraw/zinc/44/95/02/937449502.db2.gz NRKIQCGGMXMVKE-UHFFFAOYSA-N -1 3 256.371 3.072 20 30 CGEDHM N#Cc1ncc(Nc2cc([O-])cc(Cl)c2)cc1F ZINC001203060936 931961659 /nfs/dbraw/zinc/96/16/59/931961659.db2.gz XFKREHAFROMYPK-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM C#C[C@@H](Oc1nc(=S)[n-]c2scc(C)c21)C(C)C ZINC001229353580 932138480 /nfs/dbraw/zinc/13/84/80/932138480.db2.gz QGYGJHVWNRSTKQ-SECBINFHSA-N -1 3 278.402 3.325 20 30 CGEDHM O=C1C=C[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229937027 932505710 /nfs/dbraw/zinc/50/57/10/932505710.db2.gz JBBXLAWSIDEHBM-UZUMKDMXSA-N -1 3 293.322 3.419 20 30 CGEDHM Cc1ccc(C(=O)Nc2ccc(CCC#N)cc2)c([O-])c1O ZINC001303797154 932832765 /nfs/dbraw/zinc/83/27/65/932832765.db2.gz LQUZLUNFRRUGFV-UHFFFAOYSA-N -1 3 296.326 3.115 20 30 CGEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(CC)cc1[O-] ZINC001546145973 937689219 /nfs/dbraw/zinc/68/92/19/937689219.db2.gz ZYZSVSHLZRTSGF-GFCCVEGCSA-N -1 3 261.365 3.429 20 30 CGEDHM Cc1cnccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001472620207 937778638 /nfs/dbraw/zinc/77/86/38/937778638.db2.gz SRCRCNXIWZXTTK-UHFFFAOYSA-N -1 3 276.723 3.075 20 30 CGEDHM CCCCN([O-])C(=O)C1(c2ccc(F)cc2)CCC1 ZINC001472620711 937778656 /nfs/dbraw/zinc/77/86/56/937778656.db2.gz NGDHLJWXYRCZRC-UHFFFAOYSA-N -1 3 265.328 3.265 20 30 CGEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1[O-] ZINC001557130401 938208010 /nfs/dbraw/zinc/20/80/10/938208010.db2.gz YIWRSBIUISHGIT-GFCCVEGCSA-N -1 3 280.327 3.097 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ccccc1[N+](=O)[O-] ZINC001559034909 938219180 /nfs/dbraw/zinc/21/91/80/938219180.db2.gz UONSEBBSAAKNDX-UHFFFAOYSA-N -1 3 266.297 3.007 20 30 CGEDHM CCC(C)(CC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001559037288 938219217 /nfs/dbraw/zinc/21/92/17/938219217.db2.gz QRULNCMFMRSMGD-UHFFFAOYSA-N -1 3 253.317 3.370 20 30 CGEDHM N#Cc1ccccc1SCc1ccc(-c2nnn[n-]2)s1 ZINC001581876519 962747796 /nfs/dbraw/zinc/74/77/96/962747796.db2.gz UOBYKLHTYDOXHU-UHFFFAOYSA-N -1 3 299.384 3.092 20 30 CGEDHM C=C(CNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC001588444215 963272472 /nfs/dbraw/zinc/27/24/72/963272472.db2.gz QZQDEWZXUOACDS-UHFFFAOYSA-N -1 3 295.321 3.131 20 30 CGEDHM C=C(CNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC001588444215 963272482 /nfs/dbraw/zinc/27/24/82/963272482.db2.gz QZQDEWZXUOACDS-UHFFFAOYSA-N -1 3 295.321 3.131 20 30 CGEDHM C=CCCCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588600871 963292313 /nfs/dbraw/zinc/29/23/13/963292313.db2.gz RRBKXBRRUDVZDP-UHFFFAOYSA-N -1 3 297.284 3.264 20 30 CGEDHM C=CCCCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588600871 963292324 /nfs/dbraw/zinc/29/23/24/963292324.db2.gz RRBKXBRRUDVZDP-UHFFFAOYSA-N -1 3 297.284 3.264 20 30 CGEDHM CCCCNN=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000497134341 260127583 /nfs/dbraw/zinc/12/75/83/260127583.db2.gz QXMXUDPTOVROHA-UHFFFAOYSA-N -1 3 298.412 3.214 20 30 CGEDHM N#CCCCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000589844262 346814232 /nfs/dbraw/zinc/81/42/32/346814232.db2.gz SASREQKCMOVMQL-UHFFFAOYSA-N -1 3 272.348 3.145 20 30 CGEDHM N#Cc1cc(-c2ccc(C[C@H](O)C3CC3)cc2)ccc1[O-] ZINC000593952589 347122487 /nfs/dbraw/zinc/12/24/87/347122487.db2.gz LVRDPNMIASBWLA-SFHVURJKSA-N -1 3 279.339 3.244 20 30 CGEDHM N#CCC1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000599356195 347738586 /nfs/dbraw/zinc/73/85/86/347738586.db2.gz AZMAUVAZVXZIMC-UHFFFAOYSA-N -1 3 264.756 3.171 20 30 CGEDHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@H]1CCC[C@H]1C#N ZINC000601818219 347917411 /nfs/dbraw/zinc/91/74/11/347917411.db2.gz KNSSCKRKDRBGOH-BBRMVZONSA-N -1 3 298.386 3.035 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1[O-] ZINC000620305458 349354152 /nfs/dbraw/zinc/35/41/52/349354152.db2.gz HGPJOVAQRFEHAF-BETUJISGSA-N -1 3 257.333 3.024 20 30 CGEDHM C=CCN(Cc1cc([O-])ccc1Cl)[C@H](C)COC ZINC000625531017 350181147 /nfs/dbraw/zinc/18/11/47/350181147.db2.gz WSFJFJFJQICFQE-LLVKDONJSA-N -1 3 269.772 3.069 20 30 CGEDHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])c1cccc(C#N)c1 ZINC000336398359 213256136 /nfs/dbraw/zinc/25/61/36/213256136.db2.gz WEZAVQGFHQZBHA-JTQLQIEISA-N -1 3 284.290 3.145 20 30 CGEDHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000426755364 236311880 /nfs/dbraw/zinc/31/18/80/236311880.db2.gz YRFOAJLRVNIMFC-SUMWQHHRSA-N -1 3 294.354 3.110 20 30 CGEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000121946560 370902481 /nfs/dbraw/zinc/90/24/81/370902481.db2.gz WJOHTTPAHJGKEU-ZDUSSCGKSA-N -1 3 265.316 3.090 20 30 CGEDHM N#CC(=C([O-])c1ccoc1)c1ccc(C(F)(F)F)cn1 ZINC000041553895 369191242 /nfs/dbraw/zinc/19/12/42/369191242.db2.gz KIUKYFIOSCWIPD-JTQLQIEISA-N -1 3 280.205 3.183 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276529089 193369343 /nfs/dbraw/zinc/36/93/43/193369343.db2.gz DNSZJGUDZCYWSI-UHFFFAOYSA-N -1 3 287.281 3.449 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000294718077 372667858 /nfs/dbraw/zinc/66/78/58/372667858.db2.gz WXLPJBIENQGDLE-QMMMGPOBSA-N -1 3 275.245 3.353 20 30 CGEDHM C=CCC(F)(F)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436520271 372835596 /nfs/dbraw/zinc/83/55/96/372835596.db2.gz DPTXGPCHDPFRPP-UHFFFAOYSA-N -1 3 282.246 3.119 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)co1 ZINC000444453594 373190671 /nfs/dbraw/zinc/19/06/71/373190671.db2.gz JNOBHYKOPKWRDI-GFCCVEGCSA-N -1 3 279.299 3.263 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)co1 ZINC000444453594 373190673 /nfs/dbraw/zinc/19/06/73/373190673.db2.gz JNOBHYKOPKWRDI-GFCCVEGCSA-N -1 3 279.299 3.263 20 30 CGEDHM N#CC(=C([O-])c1cnc2ccc(F)cc2c1)c1ccccn1 ZINC000179609822 373895558 /nfs/dbraw/zinc/89/55/58/373895558.db2.gz MNSZTGRTPYPMNQ-CQSZACIVSA-N -1 3 291.285 3.259 20 30 CGEDHM Cc1cc(Br)cc(CN(C)[C@@H](C)CC#N)c1[O-] ZINC000180056640 373959605 /nfs/dbraw/zinc/95/96/05/373959605.db2.gz UGOHJUZCDDFNKP-JTQLQIEISA-N -1 3 297.196 3.197 20 30 CGEDHM Cc1ccc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073974030 541901982 /nfs/dbraw/zinc/90/19/82/541901982.db2.gz RQLMFGAXZGXFGZ-UHFFFAOYSA-N -1 3 282.303 3.204 20 30 CGEDHM Cc1ccc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073974030 541901989 /nfs/dbraw/zinc/90/19/89/541901989.db2.gz RQLMFGAXZGXFGZ-UHFFFAOYSA-N -1 3 282.303 3.204 20 30 CGEDHM Cc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073974030 541901994 /nfs/dbraw/zinc/90/19/94/541901994.db2.gz RQLMFGAXZGXFGZ-UHFFFAOYSA-N -1 3 282.303 3.204 20 30 CGEDHM Cc1cnc([C@H](NC(=O)c2csc(=O)[n-]2)C2CC2)s1 ZINC000329963187 374445269 /nfs/dbraw/zinc/44/52/69/374445269.db2.gz TWQUFXQTRQCWCG-SECBINFHSA-N -1 3 295.389 3.070 20 30 CGEDHM CCc1nc(C(=O)[N-]c2sc(C)c(C)c2C#N)c(C)o1 ZINC000334177592 206147439 /nfs/dbraw/zinc/14/74/39/206147439.db2.gz CXWJOQOYBPJFQR-UHFFFAOYSA-N -1 3 289.360 3.348 20 30 CGEDHM CC(C)(C)OCc1cc(C/N=C/c2ccccc2[O-])no1 ZINC000185917235 374766805 /nfs/dbraw/zinc/76/68/05/374766805.db2.gz HBZRHTMOYUETRM-RQZCQDPDSA-N -1 3 288.347 3.314 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000335732881 375386124 /nfs/dbraw/zinc/38/61/24/375386124.db2.gz JEGDOARLSWYDOJ-UHFFFAOYSA-N -1 3 286.234 3.484 20 30 CGEDHM Cc1ccc2c(CN(C[C@@H](C)C#N)C3CC3)ccc([O-])c2n1 ZINC000338286692 376314757 /nfs/dbraw/zinc/31/47/57/376314757.db2.gz OJKUZHAQVLWQCE-LBPRGKRZSA-N -1 3 295.386 3.373 20 30 CGEDHM C=C[C@H](CC(=O)Nc1nc(C)ccc1[O-])c1ccccc1 ZINC000345924386 378409091 /nfs/dbraw/zinc/40/90/91/378409091.db2.gz JBNNXKKJWWRUNH-CYBMUJFWSA-N -1 3 282.343 3.394 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000270562354 378370249 /nfs/dbraw/zinc/37/02/49/378370249.db2.gz TUNAULJNPMWFJP-UHFFFAOYSA-N -1 3 283.331 3.142 20 30 CGEDHM Cc1ccc(C(=O)N(CCC#N)CCC(C)C)c([O-])c1C ZINC000271284751 378488937 /nfs/dbraw/zinc/48/89/37/378488937.db2.gz ONMGEADZJREWKH-UHFFFAOYSA-N -1 3 288.391 3.411 20 30 CGEDHM C=CCCCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000359282712 381342515 /nfs/dbraw/zinc/34/25/15/381342515.db2.gz JEQGLPUVJXECEW-UHFFFAOYSA-N -1 3 292.289 3.045 20 30 CGEDHM C=CCCCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000359282712 381342516 /nfs/dbraw/zinc/34/25/16/381342516.db2.gz JEQGLPUVJXECEW-UHFFFAOYSA-N -1 3 292.289 3.045 20 30 CGEDHM C=CCCCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000359282712 381342517 /nfs/dbraw/zinc/34/25/17/381342517.db2.gz JEQGLPUVJXECEW-UHFFFAOYSA-N -1 3 292.289 3.045 20 30 CGEDHM Cc1cccc(C([O-])=C(C#N)c2nccc3ccccc32)n1 ZINC000361542150 381793280 /nfs/dbraw/zinc/79/32/80/381793280.db2.gz WUBDIVLCVDUUKA-HNNXBMFYSA-N -1 3 287.322 3.428 20 30 CGEDHM N#CC(=C([O-])c1ccc(-c2cnco2)cc1)c1ccccn1 ZINC000342846432 393011441 /nfs/dbraw/zinc/01/14/41/393011441.db2.gz MYHZLQSALHWETE-CQSZACIVSA-N -1 3 289.294 3.227 20 30 CGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)c(Cl)c(C)c1 ZINC000416952646 393345054 /nfs/dbraw/zinc/34/50/54/393345054.db2.gz GZZQPCZJQIRVAJ-LLVKDONJSA-N -1 3 286.784 3.001 20 30 CGEDHM C=CCCO[C@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274408422 134464803 /nfs/dbraw/zinc/46/48/03/134464803.db2.gz UTXBIKHWVJVYIK-QWHCGFSZSA-N -1 3 289.375 3.214 20 30 CGEDHM CCS[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C(C)C ZINC000066629091 260247534 /nfs/dbraw/zinc/24/75/34/260247534.db2.gz SBEGCGWLVXYMAY-ZCFIWIBFSA-N -1 3 296.318 3.189 20 30 CGEDHM CCS[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000066629091 260247535 /nfs/dbraw/zinc/24/75/35/260247535.db2.gz SBEGCGWLVXYMAY-ZCFIWIBFSA-N -1 3 296.318 3.189 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/[C@H]2CCCc3sccc32)c1O ZINC000163333660 261312125 /nfs/dbraw/zinc/31/21/25/261312125.db2.gz DCFVVPCTUMBIMT-AXLKIAQESA-N -1 3 289.356 3.361 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)[C@H](C)c2ccccc2)c1[O-] ZINC000267100902 262923686 /nfs/dbraw/zinc/92/36/86/262923686.db2.gz UCFWLARNFMGWLX-RDFRODCOSA-N -1 3 298.386 3.199 20 30 CGEDHM CC(C)(C)CN(CCC#N)Cc1cccc(F)c1[O-] ZINC000272297711 263003167 /nfs/dbraw/zinc/00/31/67/263003167.db2.gz PFUXIAZDFSHLPV-UHFFFAOYSA-N -1 3 264.344 3.293 20 30 CGEDHM CC[C@@H](CC#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000273836199 263019879 /nfs/dbraw/zinc/01/98/79/263019879.db2.gz GVFHHYNRRYXPDH-NSHDSACASA-N -1 3 286.709 3.240 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@](C)(C#N)CCc1ccccc1 ZINC000293713690 263147726 /nfs/dbraw/zinc/14/77/26/263147726.db2.gz RKCSWPQAHAYQTQ-OAHLLOKOSA-N -1 3 292.329 3.229 20 30 CGEDHM CCCOc1ccc(/C=N/C[C@H]2CCCCO2)c([O-])c1 ZINC000299220751 263235469 /nfs/dbraw/zinc/23/54/69/263235469.db2.gz SELGLYMCJKMTGM-QAEAHILHSA-N -1 3 277.364 3.169 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000294212755 265002264 /nfs/dbraw/zinc/00/22/64/265002264.db2.gz YBHRRYKGNNSPAG-JTQLQIEISA-N -1 3 275.245 3.320 20 30 CGEDHM CCc1cc(C(=O)N[C@H](C#N)c2ccccc2F)ccc1[O-] ZINC000362578189 267010458 /nfs/dbraw/zinc/01/04/58/267010458.db2.gz RYOGTZNKAPWPIL-OAHLLOKOSA-N -1 3 298.317 3.088 20 30 CGEDHM C=CCNc1ncc(C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000136091674 329670447 /nfs/dbraw/zinc/67/04/47/329670447.db2.gz RGTONXCEBSAXID-UHFFFAOYSA-N -1 3 289.360 3.007 20 30 CGEDHM C=CCCO[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000264680097 330061863 /nfs/dbraw/zinc/06/18/63/330061863.db2.gz YPWBCUOJXFJQJQ-SNVBAGLBSA-N -1 3 260.293 3.096 20 30 CGEDHM CC(C)(CC#N)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000458047499 331241806 /nfs/dbraw/zinc/24/18/06/331241806.db2.gz XROXXGLRIQUJNH-UHFFFAOYSA-N -1 3 282.343 3.215 20 30 CGEDHM C#C[C@@H](CC)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000491717888 332307238 /nfs/dbraw/zinc/30/72/38/332307238.db2.gz YHLMETVPAXGHAE-HNNXBMFYSA-N -1 3 281.355 3.006 20 30 CGEDHM CCc1ccc([O-])c(NC(=O)c2cccc(C#N)c2)c1 ZINC000174091120 335147888 /nfs/dbraw/zinc/14/78/88/335147888.db2.gz NDORYLOWUFWUQP-UHFFFAOYSA-N -1 3 266.300 3.079 20 30 CGEDHM C=CCOc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174870050 335167999 /nfs/dbraw/zinc/16/79/99/335167999.db2.gz ASLHCQNHPJSHLK-UHFFFAOYSA-N -1 3 287.290 3.348 20 30 CGEDHM C=CC[C@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000576452087 335205102 /nfs/dbraw/zinc/20/51/02/335205102.db2.gz DMUBMUGGOXZOSD-INIZCTEOSA-N -1 3 291.354 3.055 20 30 CGEDHM C=CCC[C@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352517816 527463131 /nfs/dbraw/zinc/46/31/31/527463131.db2.gz SMZQRSCHBGIRHS-HNNXBMFYSA-N -1 3 296.370 3.153 20 30 CGEDHM C=CCN(CC=C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344742464 527605829 /nfs/dbraw/zinc/60/58/29/527605829.db2.gz BDMXKTGIXQINGH-UHFFFAOYSA-N -1 3 277.339 3.055 20 30 CGEDHM COc1ccc(N=Cc2c([O-])cccc2OC)c(C)c1 ZINC000727061145 571710826 /nfs/dbraw/zinc/71/08/26/571710826.db2.gz GIZSLSYWFIMXEO-UHFFFAOYSA-N -1 3 271.316 3.468 20 30 CGEDHM CCC[C@@H]1CCCC[C@@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000728231728 571797360 /nfs/dbraw/zinc/79/73/60/571797360.db2.gz OCENGDNBMRKZAH-PPWBVHDNSA-N -1 3 290.407 3.366 20 30 CGEDHM CCOc1ccc(/C=N\CCc2c(C)noc2C)c([O-])c1 ZINC000730434119 572353232 /nfs/dbraw/zinc/35/32/32/572353232.db2.gz GGRCWGCUQRIHEX-YVLHZVERSA-N -1 3 288.347 3.057 20 30 CGEDHM C=C1CCN(Cc2cc(=O)oc3cc([O-])c(CC)cc23)CC1 ZINC000731032366 572391518 /nfs/dbraw/zinc/39/15/18/572391518.db2.gz IEFDIXHKPBAHFZ-UHFFFAOYSA-N -1 3 299.370 3.213 20 30 CGEDHM CSCc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000731563722 572416525 /nfs/dbraw/zinc/41/65/25/572416525.db2.gz SGEYOLKVUSIADE-UHFFFAOYSA-N -1 3 289.356 3.417 20 30 CGEDHM Cc1cccc(NN=C2C(=O)[N-]c3c2c(C)ccc3F)c1 ZINC000732710473 572478215 /nfs/dbraw/zinc/47/82/15/572478215.db2.gz OUENKDWILLWZDT-UHFFFAOYSA-N -1 3 283.306 3.211 20 30 CGEDHM C=CCCOCC(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000732830236 572485932 /nfs/dbraw/zinc/48/59/32/572485932.db2.gz ZMIAUEUITLNNFJ-UHFFFAOYSA-N -1 3 290.294 3.012 20 30 CGEDHM CCCCC(CC)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000732925280 572493027 /nfs/dbraw/zinc/49/30/27/572493027.db2.gz VBEJHDAKUQTUQY-UHFFFAOYSA-N -1 3 282.409 3.062 20 30 CGEDHM Cc1ccc(CC[C@H](C)/N=C\c2ccc(O)c([O-])c2O)o1 ZINC000741842106 572534194 /nfs/dbraw/zinc/53/41/94/572534194.db2.gz FEVRWKXOQCTGMI-HLGUWXJESA-N -1 3 289.331 3.145 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H](C)c1c(C)noc1C ZINC000733750102 572602313 /nfs/dbraw/zinc/60/23/13/572602313.db2.gz MHVIWRORUWWAAQ-VKPPLCHCSA-N -1 3 274.320 3.186 20 30 CGEDHM CC(=NNc1ccc(Cl)nc1)c1ccc([O-])cc1F ZINC000743450946 572663172 /nfs/dbraw/zinc/66/31/72/572663172.db2.gz VDGCTJSAPKVXSS-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM N#CC(=C([O-])C1=COCCC1)c1ccc2ccccc2n1 ZINC000744016636 572697210 /nfs/dbraw/zinc/69/72/10/572697210.db2.gz PVDSACWUSYQHOM-CQSZACIVSA-N -1 3 278.311 3.105 20 30 CGEDHM O=C(/C=C/c1ccc(Cl)nc1)c1cccc([O-])c1 ZINC000749000637 572987916 /nfs/dbraw/zinc/98/79/16/572987916.db2.gz ZFUAIGUVZFSCFP-GQCTYLIASA-N -1 3 259.692 3.337 20 30 CGEDHM C[C@H](C1CC1)N(Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833516237 604604473 /nfs/dbraw/zinc/60/44/73/604604473.db2.gz SYGOALZKXVHPBT-LLVKDONJSA-N -1 3 284.359 3.019 20 30 CGEDHM N#CCCCN[C@@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833965301 605975259 /nfs/dbraw/zinc/97/52/59/605975259.db2.gz IGPUTNWGOBBKJV-INIZCTEOSA-N -1 3 297.358 3.042 20 30 CGEDHM COCCCON=C(C)c1cc(Cl)cc(C)c1[O-] ZINC000807987967 630612117 /nfs/dbraw/zinc/61/21/17/630612117.db2.gz IZANOCOZGQNJHP-UHFFFAOYSA-N -1 3 271.744 3.131 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826295658 607883753 /nfs/dbraw/zinc/88/37/53/607883753.db2.gz RVVYQIQNGDVSRO-KTKRTIGZSA-N -1 3 290.326 3.071 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826295658 607883754 /nfs/dbraw/zinc/88/37/54/607883754.db2.gz RVVYQIQNGDVSRO-KTKRTIGZSA-N -1 3 290.326 3.071 20 30 CGEDHM C=CCCC[C@H](C)Sc1cc(-c2nnn[n-]2)ccn1 ZINC000823894255 608470248 /nfs/dbraw/zinc/47/02/48/608470248.db2.gz LKUXMDXFNFGSNT-JTQLQIEISA-N -1 3 275.381 3.099 20 30 CGEDHM C=CCCC[C@H](C)Sc1cc(-c2nn[n-]n2)ccn1 ZINC000823894255 608470249 /nfs/dbraw/zinc/47/02/49/608470249.db2.gz LKUXMDXFNFGSNT-JTQLQIEISA-N -1 3 275.381 3.099 20 30 CGEDHM C=CCCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000823894331 608588370 /nfs/dbraw/zinc/58/83/70/608588370.db2.gz NKJWLTVEGNBDHR-VIFPVBQESA-N -1 3 292.774 3.072 20 30 CGEDHM C=CCCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000823894331 608588372 /nfs/dbraw/zinc/58/83/72/608588372.db2.gz NKJWLTVEGNBDHR-VIFPVBQESA-N -1 3 292.774 3.072 20 30 CGEDHM C=CCCC[C@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823894027 608588529 /nfs/dbraw/zinc/58/85/29/608588529.db2.gz FKDXUXAPQVUDCI-JTQLQIEISA-N -1 3 275.331 3.163 20 30 CGEDHM C=CCCC[C@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823894027 608588531 /nfs/dbraw/zinc/58/85/31/608588531.db2.gz FKDXUXAPQVUDCI-JTQLQIEISA-N -1 3 275.331 3.163 20 30 CGEDHM O=C(N([O-])Cc1ccccc1Cl)[C@]12C[C@H]1CCC2 ZINC000900679672 620806062 /nfs/dbraw/zinc/80/60/62/620806062.db2.gz UCAATDWMUJXGRD-BXUZGUMPSA-N -1 3 265.740 3.248 20 30 CGEDHM CC(C)Oc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255628432 618769143 /nfs/dbraw/zinc/76/91/43/618769143.db2.gz ILFCBQGCURGRSC-UHFFFAOYSA-N -1 3 287.315 3.341 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCCS1 ZINC000255669357 618774562 /nfs/dbraw/zinc/77/45/62/618774562.db2.gz LEIPWOAREAZUFP-DKTFCQPKSA-N -1 3 255.770 3.360 20 30 CGEDHM [O-]c1ccc(F)c(C=NNc2cccc(Cl)n2)c1F ZINC000793174028 619702517 /nfs/dbraw/zinc/70/25/17/619702517.db2.gz GWVHYAAIPHOKCV-UHFFFAOYSA-N -1 3 283.665 3.165 20 30 CGEDHM O=C(N([O-])Cc1ccc(F)cc1)[C@]12C[C@H]1CCCC2 ZINC000901372113 620866440 /nfs/dbraw/zinc/86/64/40/620866440.db2.gz RDGOONOMENCSFH-IUODEOHRSA-N -1 3 263.312 3.124 20 30 CGEDHM C/C(=C\c1ccco1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372043 620866676 /nfs/dbraw/zinc/86/66/76/620866676.db2.gz OCMZNAXQCFXKJC-PKNBQFBNSA-N -1 3 275.279 3.240 20 30 CGEDHM Cc1nc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)[nH]c1C ZINC000901450960 620885034 /nfs/dbraw/zinc/88/50/34/620885034.db2.gz GOOQPEXVZKDZJP-FSEMZKDTSA-N -1 3 286.306 3.255 20 30 CGEDHM C=CCN(Cc1cccs1)[C@@H](C(=O)[O-])[C@H](C)CC ZINC000903595344 621773057 /nfs/dbraw/zinc/77/30/57/621773057.db2.gz LKZPOTJPNSUIJV-DGCLKSJQSA-N -1 3 267.394 3.235 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000904206851 621886055 /nfs/dbraw/zinc/88/60/55/621886055.db2.gz LEPCMWNHBTZLPW-CYBMUJFWSA-N -1 3 269.385 3.134 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000904209307 621886313 /nfs/dbraw/zinc/88/63/13/621886313.db2.gz YFJQCUMPQAUVLF-ZJUUUORDSA-N -1 3 267.291 3.373 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](C)CC(F)(F)F ZINC000904207288 621886383 /nfs/dbraw/zinc/88/63/83/621886383.db2.gz YBHXWOYJPCJZCY-SECBINFHSA-N -1 3 255.280 3.373 20 30 CGEDHM C[C@@H]1C(=O)CC[C@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904192979 621887425 /nfs/dbraw/zinc/88/74/25/621887425.db2.gz HCTXHEATAXTVNJ-QWRGUYRKSA-N -1 3 295.766 3.063 20 30 CGEDHM CCCCCCN([O-])C(=O)C(C)(C)C1CCOCC1 ZINC000904204394 621889750 /nfs/dbraw/zinc/88/97/50/621889750.db2.gz KTZHLGKGHKNICA-UHFFFAOYSA-N -1 3 271.401 3.237 20 30 CGEDHM CC(=NN[C@H](C)C(F)(F)F)c1ccc([O-])cc1Cl ZINC000905477650 622076586 /nfs/dbraw/zinc/07/65/86/622076586.db2.gz SRHDPAJGGFASLZ-SSDOTTSWSA-N -1 3 280.677 3.310 20 30 CGEDHM N#C[C@]1(C(=O)Nc2cccc([O-])c2F)CC2CCC1CC2 ZINC000907160615 622285594 /nfs/dbraw/zinc/28/55/94/622285594.db2.gz DZSJMCMVIBIPLS-CLIRUNRCSA-N -1 3 288.322 3.190 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000046439487 622969748 /nfs/dbraw/zinc/96/97/48/622969748.db2.gz PRDZGBOTLRLORJ-ABZNLYFFSA-N -1 3 277.283 3.046 20 30 CGEDHM C[C@@]1(C#N)CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000753585382 623435164 /nfs/dbraw/zinc/43/51/64/623435164.db2.gz AGXCNKKHOJSBHT-AWEZNQCLSA-N -1 3 264.756 3.171 20 30 CGEDHM CC(=NOC[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000788033202 623878581 /nfs/dbraw/zinc/87/85/81/623878581.db2.gz HBPNNDBBBUVCLE-ZDUSSCGKSA-N -1 3 285.343 3.323 20 30 CGEDHM CCCC1CCC(/N=C\c2c([O-])c(C)ncc2CO)CC1 ZINC000920174869 624454125 /nfs/dbraw/zinc/45/41/25/624454125.db2.gz QZJJNPLARFCTEY-GRSHGNNSSA-N -1 3 290.407 3.366 20 30 CGEDHM [O-]c1ccc(CN=Nc2ncccc2C(F)(F)F)cc1F ZINC000755643095 626633444 /nfs/dbraw/zinc/63/34/44/626633444.db2.gz MPKGNISBKDMDRX-UHFFFAOYSA-N -1 3 299.227 3.391 20 30 CGEDHM [O-]c1ccc(C=NNc2cccc3ccccc32)nc1 ZINC000755679863 626636304 /nfs/dbraw/zinc/63/63/04/626636304.db2.gz JZUBEZRXGMPBRW-UHFFFAOYSA-N -1 3 263.300 3.386 20 30 CGEDHM C[C@H]1CC(=NOCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000764844941 627229176 /nfs/dbraw/zinc/22/91/76/627229176.db2.gz NZSSGVGBAZZUNE-LURJTMIESA-N -1 3 277.217 3.322 20 30 CGEDHM CC(C)N(CCC#N)Cc1cc(Cl)ccc1[O-] ZINC000768764845 627497004 /nfs/dbraw/zinc/49/70/04/627497004.db2.gz PJYMKHHHRNAKPP-UHFFFAOYSA-N -1 3 252.745 3.170 20 30 CGEDHM O=C(OCC#Cc1cccc(Cl)c1)c1ccc([O-])cc1 ZINC000773102915 627856327 /nfs/dbraw/zinc/85/63/27/627856327.db2.gz DJMNYVWNQCHTNE-UHFFFAOYSA-N -1 3 286.714 3.254 20 30 CGEDHM C#CCCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000773231476 627869270 /nfs/dbraw/zinc/86/92/70/627869270.db2.gz MUBBIKVERPUIQX-UHFFFAOYSA-N -1 3 296.164 3.287 20 30 CGEDHM C=C[C@H](CC)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000776103293 628167029 /nfs/dbraw/zinc/16/70/29/628167029.db2.gz DTGDKHIJTUQDBL-SNVBAGLBSA-N -1 3 260.293 3.100 20 30 CGEDHM C=C[C@H](CC)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000776103293 628167034 /nfs/dbraw/zinc/16/70/34/628167034.db2.gz DTGDKHIJTUQDBL-SNVBAGLBSA-N -1 3 260.293 3.100 20 30 CGEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000779708415 628421686 /nfs/dbraw/zinc/42/16/86/628421686.db2.gz WNRDMTIPFGVEFN-GZSWPZRASA-N -1 3 267.756 3.280 20 30 CGEDHM O=C1c2ccccc2CN1N=Cc1c([O-])cccc1Cl ZINC000781599017 628577563 /nfs/dbraw/zinc/57/75/63/628577563.db2.gz PXFKMYGKTPDEMJ-UHFFFAOYSA-N -1 3 286.718 3.036 20 30 CGEDHM COc1cc(C=NNC2CCCCC2)cc(Cl)c1[O-] ZINC000786042093 628909992 /nfs/dbraw/zinc/90/99/92/628909992.db2.gz KFJASSKDVOVYPE-UHFFFAOYSA-N -1 3 282.771 3.310 20 30 CGEDHM CCN(C)c1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cn1 ZINC000790216929 629195094 /nfs/dbraw/zinc/19/50/94/629195094.db2.gz VVZQBPWCLWMTOA-VMPITWQZSA-N -1 3 296.370 3.448 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1ccc(Cl)c(F)c1 ZINC000862217640 629323555 /nfs/dbraw/zinc/32/35/55/629323555.db2.gz MHWOMJVPZFOETM-UHFFFAOYSA-N -1 3 271.719 3.036 20 30 CGEDHM C=C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862241165 629328503 /nfs/dbraw/zinc/32/85/03/629328503.db2.gz SFFGBDIKJUQAQN-UHFFFAOYSA-N -1 3 282.181 3.307 20 30 CGEDHM CCCCCCCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000862357789 629349916 /nfs/dbraw/zinc/34/99/16/629349916.db2.gz HBNQRYUEFDMECJ-UHFFFAOYSA-N -1 3 292.379 3.051 20 30 CGEDHM [O-]c1ccc(F)c(C=NNCc2ccccc2Cl)c1F ZINC000794494704 629547728 /nfs/dbraw/zinc/54/77/28/629547728.db2.gz NKAVDSUKZJCSHL-UHFFFAOYSA-N -1 3 296.704 3.448 20 30 CGEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccco1 ZINC000794941795 629603869 /nfs/dbraw/zinc/60/38/69/629603869.db2.gz YMJMHRKZVCLYAT-HWKANZROSA-N -1 3 250.200 3.160 20 30 CGEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cncc(F)c1 ZINC000794942199 629604037 /nfs/dbraw/zinc/60/40/37/629604037.db2.gz KJTYDOYGMNDZIC-HNQUOIGGSA-N -1 3 279.217 3.101 20 30 CGEDHM C=C(C)CCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000795207644 629645351 /nfs/dbraw/zinc/64/53/51/629645351.db2.gz FITQSZFVEAFFJB-UHFFFAOYSA-N -1 3 269.344 3.396 20 30 CGEDHM CC(C)CSCCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811183889 631040998 /nfs/dbraw/zinc/04/09/98/631040998.db2.gz AICLJZWXCMMEAY-UHFFFAOYSA-N -1 3 293.388 3.200 20 30 CGEDHM C=CCO[N-]C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC000837047908 634847563 /nfs/dbraw/zinc/84/75/63/634847563.db2.gz HHKKQHDDYMEJOP-ZDUSSCGKSA-N -1 3 277.364 3.203 20 30 CGEDHM C=CCO[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000837047520 634848014 /nfs/dbraw/zinc/84/80/14/634848014.db2.gz GSDUEYNKIWTDMZ-SNVBAGLBSA-N -1 3 287.281 3.433 20 30 CGEDHM CC[C@@H](CN=Nc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000814681380 631620957 /nfs/dbraw/zinc/62/09/57/631620957.db2.gz ITTKXUIUOUTINM-LBPRGKRZSA-N -1 3 270.336 3.082 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000815814531 631826310 /nfs/dbraw/zinc/82/63/10/631826310.db2.gz LNUXSVVNCVBQOX-SNVBAGLBSA-N -1 3 287.693 3.101 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C(C)C)c(C)s1 ZINC000824267695 633221151 /nfs/dbraw/zinc/22/11/51/633221151.db2.gz HWKLFQIRQBSGLH-MRVPVSSYSA-N -1 3 269.370 3.203 20 30 CGEDHM CC(C)N(CCC#N)Cc1ccc(Br)cc1[O-] ZINC000824593890 633262340 /nfs/dbraw/zinc/26/23/40/633262340.db2.gz UKVUXHXIQCBJMN-UHFFFAOYSA-N -1 3 297.196 3.279 20 30 CGEDHM C=CCC1(C(=O)[N-]OCc2cccnc2)CCCCC1 ZINC000827168903 633466708 /nfs/dbraw/zinc/46/67/08/633466708.db2.gz BVAFAJVRYHDVBV-UHFFFAOYSA-N -1 3 274.364 3.156 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871597489 633799198 /nfs/dbraw/zinc/79/91/98/633799198.db2.gz RFVFBGUEUOLDTQ-GRKPLDSISA-N -1 3 279.767 3.422 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)C2=CCCC2)c1[O-] ZINC000840711062 635040013 /nfs/dbraw/zinc/04/00/13/635040013.db2.gz UPPMXBLXAIFMDR-GIJQJNRQSA-N -1 3 288.391 3.143 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=CC2CCCC2)nc(C)n1 ZINC000842682821 635440083 /nfs/dbraw/zinc/44/00/83/635440083.db2.gz NYLGRXVWTKXTQS-DANTVBBOSA-N -1 3 269.348 3.016 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC3CCCC3)nc1-2 ZINC000842724265 635449393 /nfs/dbraw/zinc/44/93/93/635449393.db2.gz UTRCHTBZUJGXOS-FMFIFOJESA-N -1 3 294.358 3.189 20 30 CGEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128724314 636067635 /nfs/dbraw/zinc/06/76/35/636067635.db2.gz DMJVWYYBRVFBHI-AWEZNQCLSA-N -1 3 296.326 3.112 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCOc1ccccc1Cl ZINC000846539429 636196442 /nfs/dbraw/zinc/19/64/42/636196442.db2.gz HFPUETLOILLWFD-UHFFFAOYSA-N -1 3 283.755 3.123 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccc(SC)cc1 ZINC000846553497 636201362 /nfs/dbraw/zinc/20/13/62/636201362.db2.gz BTDKQODTGLEFCU-GFCCVEGCSA-N -1 3 279.405 3.354 20 30 CGEDHM N#CC1(c2ccc(-c3ccc(=O)[n-]c3F)cc2)CCOCC1 ZINC000854190114 638013783 /nfs/dbraw/zinc/01/37/83/638013783.db2.gz WNHLYRYLXRZYAR-UHFFFAOYSA-N -1 3 298.317 3.165 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000856028474 638285687 /nfs/dbraw/zinc/28/56/87/638285687.db2.gz IFLIGNANKFVAHZ-UHFFFAOYSA-N -1 3 285.343 3.088 20 30 CGEDHM C=CCCO[N-]C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC000856033688 638288340 /nfs/dbraw/zinc/28/83/40/638288340.db2.gz NGFNLUVOLFNGKA-UHFFFAOYSA-N -1 3 293.338 3.193 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000856034571 638289399 /nfs/dbraw/zinc/28/93/99/638289399.db2.gz IIYVAVLQHLLLOO-LBPRGKRZSA-N -1 3 272.348 3.285 20 30 CGEDHM C=CCCO[N-]C(=O)[C@@H](C)CCCc1ccccc1 ZINC000856034776 638289643 /nfs/dbraw/zinc/28/96/43/638289643.db2.gz URLVAEKARXUPTM-AWEZNQCLSA-N -1 3 261.365 3.269 20 30 CGEDHM N#Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c([O-])c1 ZINC001251331958 805884081 /nfs/dbraw/zinc/88/40/81/805884081.db2.gz DBCIJAHMASBTDR-UHFFFAOYSA-N -1 3 269.691 3.461 20 30 CGEDHM C#Cc1cccc(-c2cn(-c3ccc(Cl)cc3[O-])nn2)c1 ZINC001254165053 806357625 /nfs/dbraw/zinc/35/76/25/806357625.db2.gz JEXYCVYMZUWWAF-UHFFFAOYSA-N -1 3 295.729 3.275 20 30 CGEDHM C#CCN(Cc1cc(C)c(C(=O)[O-])o1)C1CCCCC1 ZINC000688870548 799756291 /nfs/dbraw/zinc/75/62/91/799756291.db2.gz KUHMZPPCUHBYIF-UHFFFAOYSA-N -1 3 275.348 3.054 20 30 CGEDHM C=C(C)CCc1ccccc1NCCCc1c[n-][nH]c1=O ZINC001164384162 806944035 /nfs/dbraw/zinc/94/40/35/806944035.db2.gz YKWNNOTVRJXTEO-OAHLLOKOSA-N -1 3 285.391 3.119 20 30 CGEDHM O=C(CC1CC(F)(F)C1)N([O-])Cc1ccccc1Cl ZINC001119616415 802685368 /nfs/dbraw/zinc/68/53/68/802685368.db2.gz OSNCOSDGHZTEEM-UHFFFAOYSA-N -1 3 289.709 3.493 20 30 CGEDHM [O-]N=Cc1ccc(-c2cccc3[nH]cnc32)cc1F ZINC001243935665 803086789 /nfs/dbraw/zinc/08/67/89/803086789.db2.gz HCEVYOVNYPLFSV-CNHKJKLMSA-N -1 3 255.252 3.177 20 30 CGEDHM N#CCc1cccnc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244456546 803379184 /nfs/dbraw/zinc/37/91/84/803379184.db2.gz UPPQVRMOTMONJE-UHFFFAOYSA-N -1 3 294.232 3.419 20 30 CGEDHM COc1ccc(-c2ccc(/C(C)=N/[O-])cc2)cc1C#N ZINC001244710170 803509190 /nfs/dbraw/zinc/50/91/90/803509190.db2.gz BBOJPCXZEDOAGA-WOJGMQOQSA-N -1 3 266.300 3.432 20 30 CGEDHM COC(=O)c1cc(C#N)cc(-c2cc(Cl)ccc2[O-])c1 ZINC001245052203 803623564 /nfs/dbraw/zinc/62/35/64/803623564.db2.gz LLSCMPMINMBWIA-UHFFFAOYSA-N -1 3 287.702 3.371 20 30 CGEDHM Cc1ccc(C#N)c(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001245606239 803850818 /nfs/dbraw/zinc/85/08/18/803850818.db2.gz UKKLADZLKKGABR-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1ccc(C#N)c(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001245606239 803850829 /nfs/dbraw/zinc/85/08/29/803850829.db2.gz UKKLADZLKKGABR-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM C#C[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(Cl)cc1 ZINC001141799930 804670360 /nfs/dbraw/zinc/67/03/60/804670360.db2.gz RYCNHBGAXVXIAK-OAHLLOKOSA-N -1 3 299.757 3.458 20 30 CGEDHM N#Cc1cc2cccnc2nc1Nc1cc(F)cc(F)c1[O-] ZINC001212477917 815033817 /nfs/dbraw/zinc/03/38/17/815033817.db2.gz QASIAELATMCZEE-UHFFFAOYSA-N -1 3 298.252 3.229 20 30 CGEDHM CC(C)(C)c1cc([O-])c(CN2CC(C#N)C2)cc1Cl ZINC001248879500 805030917 /nfs/dbraw/zinc/03/09/17/805030917.db2.gz ANBSCUXAIYGWFT-UHFFFAOYSA-N -1 3 278.783 3.298 20 30 CGEDHM N#Cc1cc(NC(=O)c2cncc3ccccc32)ccc1[O-] ZINC001150922729 805273417 /nfs/dbraw/zinc/27/34/17/805273417.db2.gz UDTYDXSPQQGJPY-UHFFFAOYSA-N -1 3 289.294 3.064 20 30 CGEDHM CCOc1cc([N-]c2onc(C)c2C#N)c(Cl)cn1 ZINC001250210457 805492409 /nfs/dbraw/zinc/49/24/09/805492409.db2.gz UDTUDDBUIBEHPO-UHFFFAOYSA-N -1 3 278.699 3.045 20 30 CGEDHM N#Cc1cc(CCCOc2ccccc2F)ccc1[O-] ZINC001250275378 805537531 /nfs/dbraw/zinc/53/75/31/805537531.db2.gz NHHKOPIPUFPTRL-UHFFFAOYSA-N -1 3 271.291 3.415 20 30 CGEDHM N#CCOc1ccccc1Nc1cc([O-])c(F)cc1F ZINC001212600882 815082624 /nfs/dbraw/zinc/08/26/24/815082624.db2.gz QZIHMKBMRTVCOY-UHFFFAOYSA-N -1 3 276.242 3.316 20 30 CGEDHM CCCCCCC[C@@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001258039122 807271505 /nfs/dbraw/zinc/27/15/05/807271505.db2.gz KVNLTRGCEBCEMU-CYBMUJFWSA-N -1 3 279.361 3.283 20 30 CGEDHM COc1ccc(Nc2cc(Cl)ncc2[O-])c(C#N)c1 ZINC001212781928 815135715 /nfs/dbraw/zinc/13/57/15/815135715.db2.gz SDDDVKHRVQQOOP-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM Cc1sc(Nc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC001175425297 809400698 /nfs/dbraw/zinc/40/06/98/809400698.db2.gz QULVAKZHGXLQGC-UHFFFAOYSA-N -1 3 296.359 3.160 20 30 CGEDHM N#Cc1cc(O)ccc1Nc1cc([O-])cc(Cl)c1 ZINC001176624361 809733650 /nfs/dbraw/zinc/73/36/50/809733650.db2.gz FWJBRONHVXHHKW-UHFFFAOYSA-N -1 3 260.680 3.366 20 30 CGEDHM CC(C)[C@H]1C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283367 810188472 /nfs/dbraw/zinc/18/84/72/810188472.db2.gz HMUBUCOHKCXBBQ-NEPJUHHUSA-N -1 3 267.756 3.350 20 30 CGEDHM CCCCN(O)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001184314570 810190845 /nfs/dbraw/zinc/19/08/45/810190845.db2.gz APHBHVVBQLDAGT-UHFFFAOYSA-N -1 3 251.326 3.147 20 30 CGEDHM N#Cc1cc(NC(=O)c2ccoc2C(F)(F)F)ccc1[O-] ZINC001187721604 810419825 /nfs/dbraw/zinc/41/98/25/810419825.db2.gz UOMYAUZLZQDSPH-UHFFFAOYSA-N -1 3 296.204 3.128 20 30 CGEDHM C=CC[C@@H](NC(=O)c1c(C)cc(O)cc1[O-])c1ccccc1 ZINC001193952083 810985853 /nfs/dbraw/zinc/98/58/53/810985853.db2.gz CNFZBTQYXBNSPK-OAHLLOKOSA-N -1 3 297.354 3.453 20 30 CGEDHM CC(=O)c1ccc(F)c(Nc2ccc([O-])cc2C#N)c1F ZINC001214767394 815449103 /nfs/dbraw/zinc/44/91/03/815449103.db2.gz XKFIBTSJDWEBPU-UHFFFAOYSA-N -1 3 288.253 3.488 20 30 CGEDHM C#Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC001201222098 811799001 /nfs/dbraw/zinc/79/90/01/811799001.db2.gz KIYKUEZZOXTDEN-UHFFFAOYSA-N -1 3 272.235 3.164 20 30 CGEDHM N#Cc1cc(-c2ccc([O-])cc2F)ncc1C(F)(F)F ZINC001206038339 813177659 /nfs/dbraw/zinc/17/76/59/813177659.db2.gz WAADTJPTEJHLFJ-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM N#Cc1ccc(Nc2cc([O-])cc(F)c2)c(F)c1F ZINC001206851783 813451864 /nfs/dbraw/zinc/45/18/64/813451864.db2.gz VISOGDAPPSTEDY-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1ncccc1Nc1cc(-c2ccccc2[O-])no1 ZINC001210142747 814308762 /nfs/dbraw/zinc/30/87/62/814308762.db2.gz HWJADPYOPNCGFC-UHFFFAOYSA-N -1 3 278.271 3.057 20 30 CGEDHM N#Cc1cc(Nc2ccc(F)cc2C#N)ccc1[O-] ZINC001210532938 814512896 /nfs/dbraw/zinc/51/28/96/814512896.db2.gz QSAPEQUSDYHDMN-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM N#Cc1cc(N)c(Nc2c([O-])cccc2Cl)cc1C#N ZINC001215986728 815652089 /nfs/dbraw/zinc/65/20/89/815652089.db2.gz OPMUGHPIMZUJEA-UHFFFAOYSA-N -1 3 284.706 3.115 20 30 CGEDHM C[C@@H](O/C(=N\[O-])c1ccccn1)c1cccc(F)c1 ZINC001223976561 816713273 /nfs/dbraw/zinc/71/32/73/816713273.db2.gz VDLHYAOQNPJPPQ-BXWLNTHASA-N -1 3 260.268 3.134 20 30 CGEDHM C[C@H](CC(C)(C)S)Oc1ccc2c([O-])coc2c1 ZINC001225340378 817018035 /nfs/dbraw/zinc/01/80/35/817018035.db2.gz KPRHEBWJVYMTDU-SECBINFHSA-N -1 3 266.362 3.128 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2c(F)cccc2F)[n-]1 ZINC001225466446 817060953 /nfs/dbraw/zinc/06/09/53/817060953.db2.gz DPHJIDUVIZJFHF-SECBINFHSA-N -1 3 290.269 3.386 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cccnc2Cl)[n-]1 ZINC001225466205 817061279 /nfs/dbraw/zinc/06/12/79/817061279.db2.gz ANBKRSMSNHEKFZ-VIFPVBQESA-N -1 3 289.722 3.156 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cccnc2Cl)[n-]1 ZINC001225466202 817061433 /nfs/dbraw/zinc/06/14/33/817061433.db2.gz ANBKRSMSNHEKFZ-SECBINFHSA-N -1 3 289.722 3.156 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665698 817133269 /nfs/dbraw/zinc/13/32/69/817133269.db2.gz DKCMRRBKNAJJKN-WCQYABFASA-N -1 3 290.319 3.375 20 30 CGEDHM CCC[C@H](C#Cc1ccccc1)Oc1nc[n-]c(=O)c1C ZINC001226075999 817265919 /nfs/dbraw/zinc/26/59/19/817265919.db2.gz KHCSEZORJHXPFW-OAHLLOKOSA-N -1 3 282.343 3.090 20 30 CGEDHM [O-]/N=C/c1cccc(O[C@H]2CCc3ccccc3C2)c1 ZINC001226113863 817275461 /nfs/dbraw/zinc/27/54/61/817275461.db2.gz AUAWRUZSWPSWEV-BOFQVRIASA-N -1 3 267.328 3.431 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1cccc(/C=N/[O-])c1 ZINC001226115637 817276847 /nfs/dbraw/zinc/27/68/47/817276847.db2.gz GQEPLAPNRIQFCC-IQGJIOQQSA-N -1 3 257.333 3.478 20 30 CGEDHM C[Si](C)(C)C#C[C@H](Oc1ccc(=O)[n-]n1)c1ccccc1 ZINC001227095749 817556059 /nfs/dbraw/zinc/55/60/59/817556059.db2.gz UYVHFTRPSGUCAJ-AWEZNQCLSA-N -1 3 298.418 3.183 20 30 CGEDHM N#Cc1ccc([O-])c(OC[C@H]2CCc3ccccc3O2)c1 ZINC001227345725 817628513 /nfs/dbraw/zinc/62/85/13/817628513.db2.gz PRKMEZQUGZGIIS-CQSZACIVSA-N -1 3 281.311 3.036 20 30 CGEDHM N#Cc1ccc([O-])c(OC(C(F)(F)F)C(F)(F)F)c1 ZINC001227345115 817628553 /nfs/dbraw/zinc/62/85/53/817628553.db2.gz KAOMFUGLHDNMQW-UHFFFAOYSA-N -1 3 285.143 3.136 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1cc(C#N)ccc1[O-] ZINC001227349799 817629582 /nfs/dbraw/zinc/62/95/82/817629582.db2.gz JSRYOCFUTPVAQU-VIFPVBQESA-N -1 3 251.351 3.130 20 30 CGEDHM COc1ccc([C@H](C)Oc2cc(C#N)ccc2[O-])cc1OC ZINC001227351207 817630524 /nfs/dbraw/zinc/63/05/24/817630524.db2.gz SQGJGIJTLOTFQX-NSHDSACASA-N -1 3 299.326 3.421 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694624 817697076 /nfs/dbraw/zinc/69/70/76/817697076.db2.gz HBCWMYVTDGSRQB-JTQLQIEISA-N -1 3 290.323 3.380 20 30 CGEDHM O=C1C=C[C@@H](Oc2ccccc2Oc2ccccc2[O-])C1 ZINC001231222395 818060940 /nfs/dbraw/zinc/06/09/40/818060940.db2.gz DRFDNNXYROAWBN-CYBMUJFWSA-N -1 3 282.295 3.461 20 30 CGEDHM N#C[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454686 818623242 /nfs/dbraw/zinc/62/32/42/818623242.db2.gz FVTPXNFEJAKPGD-LBPRGKRZSA-N -1 3 284.281 3.289 20 30 CGEDHM N#C[C@@H](Oc1ccc2occ([O-])c2c1)c1cccc(F)c1 ZINC001233680578 818678655 /nfs/dbraw/zinc/67/86/55/818678655.db2.gz LJSYMVIUCSPHPK-MRXNPFEDSA-N -1 3 283.258 3.044 20 30 CGEDHM CC[C@H](C)[C@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233803041 818708744 /nfs/dbraw/zinc/70/87/44/818708744.db2.gz KUZYVHJHMJNMJF-BVLLQVSASA-N -1 3 251.326 3.317 20 30 CGEDHM CC[C@@H](C)[C@@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233803046 818708761 /nfs/dbraw/zinc/70/87/61/818708761.db2.gz KUZYVHJHMJNMJF-SCVIVROUSA-N -1 3 251.326 3.317 20 30 CGEDHM N#CC[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234143185 818791239 /nfs/dbraw/zinc/79/12/39/818791239.db2.gz AKYVAUABYMCZRL-MRXNPFEDSA-N -1 3 264.284 3.298 20 30 CGEDHM C#C[C@H](Oc1nc2ccsc2[n-]1)c1ccccc1 ZINC001234849097 818933114 /nfs/dbraw/zinc/93/31/14/818933114.db2.gz 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/nfs/dbraw/zinc/95/92/85/374959285.db2.gz WCBHAPDTNDLVRB-UHFFFAOYSA-N -1 3 294.339 3.262 20 30 CGEDHM CCc1c(C)sc([N-]C(=O)c2cncs2)c1C#N ZINC000335849284 375481673 /nfs/dbraw/zinc/48/16/73/375481673.db2.gz WASJFCUPBWGOTB-UHFFFAOYSA-N -1 3 277.374 3.199 20 30 CGEDHM CCc1ocnc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000336578608 375847742 /nfs/dbraw/zinc/84/77/42/375847742.db2.gz JYMYATUODQAJPP-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccnc(C#N)c2)c1 ZINC000193631699 375900778 /nfs/dbraw/zinc/90/07/78/375900778.db2.gz PFPAMZSIJDMMRA-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM Cn1cccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000338186786 376277787 /nfs/dbraw/zinc/27/77/87/376277787.db2.gz BLHHTWTYSZCYQZ-SNVBAGLBSA-N -1 3 281.340 3.125 20 30 CGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ncccc1[O-] ZINC000566882426 377502815 /nfs/dbraw/zinc/50/28/15/377502815.db2.gz QKWDTBPAIGHVRC-RDJZCZTQSA-N -1 3 293.370 3.059 20 30 CGEDHM C=CCN(Cc1ccccc1F)[C@H](CCC)C(=O)[O-] ZINC000571888097 377544036 /nfs/dbraw/zinc/54/40/36/377544036.db2.gz LHYHLKITRGWRBG-CQSZACIVSA-N -1 3 265.328 3.067 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1cnn([C@@H](C)CC)c1C1CC1 ZINC000342798779 377799537 /nfs/dbraw/zinc/79/95/37/377799537.db2.gz LONGLRBSUCIRFB-NSHDSACASA-N -1 3 297.424 3.049 20 30 CGEDHM N#CCCN(CC1CC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271214096 378484250 /nfs/dbraw/zinc/48/42/50/378484250.db2.gz BMMDZBNCQRWUKM-UHFFFAOYSA-N -1 3 298.386 3.037 20 30 CGEDHM C=CC[C@@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000279712086 379498349 /nfs/dbraw/zinc/49/83/49/379498349.db2.gz ANWRBKUFUZUHDM-MRVPVSSYSA-N -1 3 273.254 3.105 20 30 CGEDHM C=CCOCC(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000410877667 380121255 /nfs/dbraw/zinc/12/12/55/380121255.db2.gz SGPHIHVWHQUWSF-UHFFFAOYSA-N -1 3 278.352 3.172 20 30 CGEDHM N#CC1(CC[S@](=O)c2ccc([O-])cc2)CCCCC1 ZINC000414228638 380204163 /nfs/dbraw/zinc/20/41/63/380204163.db2.gz DVNRVQOQPQJKSF-IBGZPJMESA-N -1 3 277.389 3.364 20 30 CGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)CC)cc1 ZINC000416956958 380555477 /nfs/dbraw/zinc/55/54/77/380555477.db2.gz KRNAGORXMBXITB-AWEZNQCLSA-N -1 3 294.420 3.418 20 30 CGEDHM N#CC(=C([O-])c1cccnc1)c1nccc2ccccc21 ZINC000361528596 381786696 /nfs/dbraw/zinc/78/66/96/381786696.db2.gz ASNUMBLGIWIIRL-OAHLLOKOSA-N -1 3 273.295 3.120 20 30 CGEDHM CCc1noc(C)c1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000329638865 392690171 /nfs/dbraw/zinc/69/01/71/392690171.db2.gz AXOSYMICDWEEND-UHFFFAOYSA-N -1 3 275.308 3.356 20 30 CGEDHM CC(C)CCN(CCC#N)Cc1c(F)ccc([O-])c1F ZINC000351398805 393187911 /nfs/dbraw/zinc/18/79/11/393187911.db2.gz PFFUGOMIPHHMPL-UHFFFAOYSA-N -1 3 282.334 3.432 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccccc1C(F)(F)F ZINC000417623757 393350880 /nfs/dbraw/zinc/35/08/80/393350880.db2.gz JEWIONBMHNIZRQ-NSHDSACASA-N -1 3 287.281 3.214 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1C[C@@H]1c1ccccc1 ZINC000359162018 393539809 /nfs/dbraw/zinc/53/98/09/393539809.db2.gz MJNIYNNKMPIKET-QWHCGFSZSA-N -1 3 287.388 3.066 20 30 CGEDHM N#Cc1csc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC000084060233 287080638 /nfs/dbraw/zinc/08/06/38/287080638.db2.gz RZTQARWTHRWXMV-UHFFFAOYSA-N -1 3 299.380 3.294 20 30 CGEDHM Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C)c1 ZINC000071798885 176265445 /nfs/dbraw/zinc/26/54/45/176265445.db2.gz JMPXTHWWIDIROC-UHFFFAOYSA-N -1 3 284.241 3.077 20 30 CGEDHM Cc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(C)c1 ZINC000071798885 176265446 /nfs/dbraw/zinc/26/54/46/176265446.db2.gz JMPXTHWWIDIROC-UHFFFAOYSA-N -1 3 284.241 3.077 20 30 CGEDHM N#CC(=C([O-])c1ccc(Cl)c(Cl)c1)c1ccncn1 ZINC000354469591 227007190 /nfs/dbraw/zinc/00/71/90/227007190.db2.gz RIIXICLDGJHVTH-VIFPVBQESA-N -1 3 292.125 3.273 20 30 CGEDHM N#CC(=C([O-])c1ccc2c3c(cccc31)CC2)c1ccncn1 ZINC000354481904 227011659 /nfs/dbraw/zinc/01/16/59/227011659.db2.gz ZBTOTFSZDOCTGD-MRXNPFEDSA-N -1 3 299.333 3.218 20 30 CGEDHM CCn1cnnc1[N-]C(=O)[C@@H](C)OC1CCCCCC1 ZINC000329116453 227308823 /nfs/dbraw/zinc/30/88/23/227308823.db2.gz NJMVMWLPTIHZIW-LLVKDONJSA-N -1 3 280.372 3.014 20 30 CGEDHM C=CCCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652470959 418973694 /nfs/dbraw/zinc/97/36/94/418973694.db2.gz OMALJTNKOJCTIK-OAHLLOKOSA-N -1 3 259.349 3.027 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C3CC3)cc2)nc(C)n1 ZINC000659024444 418958174 /nfs/dbraw/zinc/95/81/74/418958174.db2.gz CZJFHBDSOSHWAF-MRXNPFEDSA-N -1 3 291.354 3.461 20 30 CGEDHM CCc1noc(CC)c1C/N=C/c1ccccc1[O-] ZINC000086960988 260399622 /nfs/dbraw/zinc/39/96/22/260399622.db2.gz LKGQLLQYVGEKBY-CXUHLZMHSA-N -1 3 258.321 3.124 20 30 CGEDHM C[C@H]1COCC[C@@H]1/N=C/c1c([O-])ccc2ccccc21 ZINC000277382854 263040855 /nfs/dbraw/zinc/04/08/55/263040855.db2.gz NHJWDPBFZSEWQO-XSERPLDASA-N -1 3 269.344 3.389 20 30 CGEDHM N#CCCN(CCC#N)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290797055 263118651 /nfs/dbraw/zinc/11/86/51/263118651.db2.gz DSMLGRWCELHHQA-UHFFFAOYSA-N -1 3 297.280 3.040 20 30 CGEDHM N#CCC[C@H]([N-]c1nnc(C(F)F)o1)c1ccccc1 ZINC000292964977 263136791 /nfs/dbraw/zinc/13/67/91/263136791.db2.gz GWVOTJIZVILVAG-JTQLQIEISA-N -1 3 278.262 3.464 20 30 CGEDHM Cc1c(Br)ccc([O-])c1NC(=O)CCCC#N ZINC000296015267 263184832 /nfs/dbraw/zinc/18/48/32/263184832.db2.gz KSYMNMXICSFOFF-UHFFFAOYSA-N -1 3 297.152 3.096 20 30 CGEDHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])C1CCOCC1 ZINC000331243252 264177874 /nfs/dbraw/zinc/17/78/74/264177874.db2.gz RISISPDLKIJKPH-CQSZACIVSA-N -1 3 277.364 3.210 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@@H](C)CC(C)(C)O)c([O-])c1 ZINC000331338848 264194673 /nfs/dbraw/zinc/19/46/73/264194673.db2.gz JNKFZYNTKMYPQP-NSHDSACASA-N -1 3 279.380 3.370 20 30 CGEDHM Cc1ccc(NC(=O)/C=C/c2cccc(C#N)c2)c([O-])c1 ZINC000042785390 270033263 /nfs/dbraw/zinc/03/32/63/270033263.db2.gz QZHOYDAMAZSDSG-SOFGYWHQSA-N -1 3 278.311 3.224 20 30 CGEDHM CCc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1[O-] ZINC000531355872 327901216 /nfs/dbraw/zinc/90/12/16/327901216.db2.gz RBUCYACPPQFFJG-UHFFFAOYSA-N -1 3 280.327 3.273 20 30 CGEDHM C=C(C)CN(CC)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000573572465 327198663 /nfs/dbraw/zinc/19/86/63/327198663.db2.gz XWCOYCJCTONVAM-UHFFFAOYSA-N -1 3 297.782 3.315 20 30 CGEDHM CCO[C@@H]1C[C@H](/N=C/c2ccccc2[O-])C12CCC2 ZINC000125186393 327390880 /nfs/dbraw/zinc/39/08/80/327390880.db2.gz OFDCLTCEOLEPFB-FLKQJBRMSA-N -1 3 259.349 3.159 20 30 CGEDHM C=CC1CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000582971334 329296343 /nfs/dbraw/zinc/29/63/43/329296343.db2.gz YABOVWKJLTVQCW-JTQLQIEISA-N -1 3 263.337 3.245 20 30 CGEDHM N#CCC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000156955222 330754997 /nfs/dbraw/zinc/75/49/97/330754997.db2.gz FONCKDDQRFHVPI-HNNXBMFYSA-N -1 3 280.327 3.167 20 30 CGEDHM CC(C)c1ncsc1C([O-])=C(C#N)c1ccccn1 ZINC000453594709 331135336 /nfs/dbraw/zinc/13/53/36/331135336.db2.gz XRCUEWVLQHJXGY-JTQLQIEISA-N -1 3 271.345 3.152 20 30 CGEDHM C=CCCCNCc1cccc([O-])c1Br ZINC000315790669 333383898 /nfs/dbraw/zinc/38/38/98/333383898.db2.gz YWLNMSXJSKULSG-UHFFFAOYSA-N -1 3 270.170 3.211 20 30 CGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1[O-] ZINC000130198488 333823068 /nfs/dbraw/zinc/82/30/68/333823068.db2.gz MTENKSHMUZQUJT-UHFFFAOYSA-N -1 3 292.338 3.092 20 30 CGEDHM CCc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1[O-] ZINC000552917890 334350739 /nfs/dbraw/zinc/35/07/39/334350739.db2.gz NVTBHNARYCMNEZ-UHFFFAOYSA-N -1 3 280.327 3.273 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)c2ccccc2n1 ZINC000194346366 336018087 /nfs/dbraw/zinc/01/80/87/336018087.db2.gz SUNZWXQWFPDJOM-OAHLLOKOSA-N -1 3 287.322 3.428 20 30 CGEDHM C[C@@H](c1nc(-c2ccc([O-])cc2)no1)c1cccc(C#N)c1 ZINC000436625779 534132951 /nfs/dbraw/zinc/13/29/51/534132951.db2.gz PNGGHLZYBRIWML-LLVKDONJSA-N -1 3 291.310 3.466 20 30 CGEDHM C=CCC(CC=C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000344972627 527026867 /nfs/dbraw/zinc/02/68/67/527026867.db2.gz DEYVEASSFWZYHR-UHFFFAOYSA-N -1 3 281.359 3.206 20 30 CGEDHM O=C(OCC#Cc1ccccc1Cl)c1cc([O-])cs1 ZINC000747055318 572907200 /nfs/dbraw/zinc/90/72/00/572907200.db2.gz SZUNCGQIEHEIBA-UHFFFAOYSA-N -1 3 292.743 3.316 20 30 CGEDHM [O-]c1ccccc1C=NNc1cccc2cnccc21 ZINC000728432063 571806327 /nfs/dbraw/zinc/80/63/27/571806327.db2.gz LWULUJVQAJUUSF-UHFFFAOYSA-N -1 3 263.300 3.386 20 30 CGEDHM CC(N=Nc1cnc2ccccc2n1)c1ccc([O-])cc1F ZINC000729932567 571937341 /nfs/dbraw/zinc/93/73/41/571937341.db2.gz FPUIWHVGUIDBTR-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM Cc1cccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738709846 572389480 /nfs/dbraw/zinc/38/94/80/572389480.db2.gz XPDFMKQBAZWXKW-QGZVFWFLSA-N -1 3 294.354 3.124 20 30 CGEDHM CCn1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cn1 ZINC000732529893 572470933 /nfs/dbraw/zinc/47/09/33/572470933.db2.gz BLONHRDTDRWYEO-VKRGWIQLSA-N -1 3 286.306 3.131 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000741464617 572500545 /nfs/dbraw/zinc/50/05/45/572500545.db2.gz QCJPAWYBBWXAKK-NIWAMVFTSA-N -1 3 289.375 3.023 20 30 CGEDHM C=CC[C@H](NC(=O)c1cccc(C)c1[O-])c1ccncc1 ZINC000734554604 572665328 /nfs/dbraw/zinc/66/53/28/572665328.db2.gz DGJPHAPQLHMJBE-HNNXBMFYSA-N -1 3 282.343 3.143 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H](C)c1cccc(C#N)c1 ZINC000743501359 572666588 /nfs/dbraw/zinc/66/65/88/572666588.db2.gz JPTIINARVHCGDM-MKFNJMOCSA-N -1 3 280.327 3.453 20 30 CGEDHM COC[C@@H](Cc1ccccc1)/N=C\c1c([O-])cccc1OC ZINC000746815330 572896946 /nfs/dbraw/zinc/89/69/46/572896946.db2.gz HDDQQOKOWJCGCI-VUFYJBQKSA-N -1 3 299.370 3.077 20 30 CGEDHM [O-]c1c(O)ccc(C=NNc2ccc(Cl)c(F)c2)c1O ZINC000747635143 572938233 /nfs/dbraw/zinc/93/82/33/572938233.db2.gz HBSQJLNVYRLBTE-UHFFFAOYSA-N -1 3 296.685 3.042 20 30 CGEDHM CCOc1ccc(/C=N\C2CCSCC2)c([O-])c1 ZINC000749748839 573029797 /nfs/dbraw/zinc/02/97/97/573029797.db2.gz QLGFVEBLEDUJBR-GDNBJRDFSA-N -1 3 265.378 3.105 20 30 CGEDHM C=CCCC(N=Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823888336 607652818 /nfs/dbraw/zinc/65/28/18/607652818.db2.gz JCFHYCWCVLIMKO-UHFFFAOYSA-N -1 3 282.351 3.011 20 30 CGEDHM C=CCCC(N=Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823888336 607652819 /nfs/dbraw/zinc/65/28/19/607652819.db2.gz JCFHYCWCVLIMKO-UHFFFAOYSA-N -1 3 282.351 3.011 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2ccnn2C2CCC2)cc(O)c1[O-] ZINC000899381399 620687792 /nfs/dbraw/zinc/68/77/92/620687792.db2.gz PVBASNFRXHIJNF-WAYWQWQTSA-N -1 3 298.342 3.224 20 30 CGEDHM CC1=CCC[C@H](C)[C@@H]1CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824852703 608289644 /nfs/dbraw/zinc/28/96/44/608289644.db2.gz QGZPYINSLGUBNP-SWLSCSKDSA-N -1 3 296.378 3.257 20 30 CGEDHM CC1=CCC[C@H](C)[C@@H]1CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824852703 608289645 /nfs/dbraw/zinc/28/96/45/608289645.db2.gz QGZPYINSLGUBNP-SWLSCSKDSA-N -1 3 296.378 3.257 20 30 CGEDHM C#C[C@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000890654199 617733563 /nfs/dbraw/zinc/73/35/63/617733563.db2.gz BBHBZPYFLFKJHM-LBPRGKRZSA-N -1 3 297.276 3.039 20 30 CGEDHM CO[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000121051223 617940869 /nfs/dbraw/zinc/94/08/69/617940869.db2.gz OABOSZLNUIIDRX-OZULDWBZSA-N -1 3 253.729 3.032 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1cscn1 ZINC000255122481 617946700 /nfs/dbraw/zinc/94/67/00/617946700.db2.gz HMVPVGPKWLOKHA-NSIKDUERSA-N -1 3 266.753 3.164 20 30 CGEDHM CCCCN([O-])C(=O)c1cnc(CCC(F)(F)F)s1 ZINC000900679689 620806195 /nfs/dbraw/zinc/80/61/95/620806195.db2.gz UHYWBLYBSPIXRT-UHFFFAOYSA-N -1 3 296.314 3.270 20 30 CGEDHM CC#CCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000185917018 619744797 /nfs/dbraw/zinc/74/47/97/619744797.db2.gz JQHRWMWRQYXJJE-UHFFFAOYSA-N -1 3 299.292 3.447 20 30 CGEDHM CC(C)c1nccnc1N=NC(C)c1ccc(F)c([O-])c1 ZINC000901231040 620843805 /nfs/dbraw/zinc/84/38/05/620843805.db2.gz BPQRWJRKQXTVTO-UHFFFAOYSA-N -1 3 288.326 3.281 20 30 CGEDHM [O-]c1ccc(F)c(C=NNC2CCC(F)(F)CC2)c1F ZINC000901341393 620857683 /nfs/dbraw/zinc/85/76/83/620857683.db2.gz GCBDOSNHGOVARY-UHFFFAOYSA-N -1 3 290.260 3.172 20 30 CGEDHM CC(C)OCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369937 620865402 /nfs/dbraw/zinc/86/54/02/620865402.db2.gz LLLVYOKRFPMDOO-UHFFFAOYSA-N -1 3 287.359 3.373 20 30 CGEDHM Cn1ccc2c1cccc2C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374666 620868232 /nfs/dbraw/zinc/86/82/32/620868232.db2.gz PZOPXZSNLKWWTQ-UHFFFAOYSA-N -1 3 298.317 3.349 20 30 CGEDHM Cc1c(F)cccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376605 620868713 /nfs/dbraw/zinc/86/87/13/620868713.db2.gz VVMYAGHYEXWVBI-UHFFFAOYSA-N -1 3 277.270 3.305 20 30 CGEDHM CC(C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379675 620869211 /nfs/dbraw/zinc/86/92/11/620869211.db2.gz MYKSXQGCQKMHBH-UHFFFAOYSA-N -1 3 262.136 3.367 20 30 CGEDHM C[C@H](NCC1(C#N)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903105649 621578523 /nfs/dbraw/zinc/57/85/23/621578523.db2.gz GQUAFPJSKQXSDR-VIFPVBQESA-N -1 3 284.281 3.365 20 30 CGEDHM C[C@@H](NCC1(C#N)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903109779 621583977 /nfs/dbraw/zinc/58/39/77/621583977.db2.gz UZZNQLSAZLQJHI-LLVKDONJSA-N -1 3 289.335 3.035 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000904173189 621884446 /nfs/dbraw/zinc/88/44/46/621884446.db2.gz PDWNSWRCCRMDPL-GUYCJALGSA-N -1 3 299.370 3.373 20 30 CGEDHM CCCCCCN([O-])C(=O)c1coc(-c2cccnc2)n1 ZINC000904206776 621885736 /nfs/dbraw/zinc/88/57/36/621885736.db2.gz HRTRPOARCJNELR-UHFFFAOYSA-N -1 3 289.335 3.148 20 30 CGEDHM CCCCN([O-])C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000904208836 621886369 /nfs/dbraw/zinc/88/63/69/621886369.db2.gz LFIVIBIVAQZKFD-UHFFFAOYSA-N -1 3 286.331 3.086 20 30 CGEDHM CCCCCCN([O-])C(=O)CCCc1nc(C2CC2)no1 ZINC000904204049 621889416 /nfs/dbraw/zinc/88/94/16/621889416.db2.gz CLNFLIWHWPQERI-UHFFFAOYSA-N -1 3 295.383 3.068 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](C)c1c(C)noc1C ZINC000904205378 621889464 /nfs/dbraw/zinc/88/94/64/621889464.db2.gz KCYRCWABXMZEHM-SNVBAGLBSA-N -1 3 268.357 3.193 20 30 CGEDHM CCCCCCN([O-])C(=O)CCc1nc(C)cs1 ZINC000904205052 621889756 /nfs/dbraw/zinc/88/97/56/621889756.db2.gz YRACVRSIWQHIEL-UHFFFAOYSA-N -1 3 270.398 3.182 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)Cc1cncc2ccccc21 ZINC000904213537 621890805 /nfs/dbraw/zinc/89/08/05/621890805.db2.gz SFJLOYMPKMLOAT-CYBMUJFWSA-N -1 3 286.375 3.431 20 30 CGEDHM N#CC[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000905003927 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293.388 3.048 20 30 CGEDHM Cc1nc(C#N)cnc1-c1ccc([O-])cc1C(F)(F)F ZINC001205080135 812852280 /nfs/dbraw/zinc/85/22/80/812852280.db2.gz KQPAWWDSWUYJSI-UHFFFAOYSA-N -1 3 279.221 3.048 20 30 CGEDHM N#Cc1cc(C(F)(F)F)cc(-c2ccc([O-])cc2F)n1 ZINC001206029760 813171207 /nfs/dbraw/zinc/17/12/07/813171207.db2.gz IFQZXJLBOHUXRZ-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM COc1cccc(Nc2cc(F)c(F)cc2[O-])c1C#N ZINC001210124415 814300666 /nfs/dbraw/zinc/30/06/66/814300666.db2.gz AJNXRCNTBRZXRO-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM COc1cccc(C#N)c1Nc1cccc(F)c1[O-] ZINC001210198116 814334545 /nfs/dbraw/zinc/33/45/45/814334545.db2.gz LRZOMICCZCHIHW-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1cc(F)c(Nc2cccc(F)c2[O-])c(F)c1 ZINC001210198328 814334797 /nfs/dbraw/zinc/33/47/97/814334797.db2.gz RBWOCKYSHSDQIJ-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#CCc1ccc(-c2cc([O-])ccc2F)cc1C#N ZINC001242763556 823125184 /nfs/dbraw/zinc/12/51/84/823125184.db2.gz YEBGBTGQXIULKF-UHFFFAOYSA-N -1 3 252.248 3.136 20 30 CGEDHM N#Cc1cc(F)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001210551846 814521316 /nfs/dbraw/zinc/52/13/16/814521316.db2.gz VSGAZNSTNRXRDF-UHFFFAOYSA-N -1 3 294.289 3.332 20 30 CGEDHM Cc1cc(Cl)ncc1Nc1cc(C#N)ccc1[O-] ZINC001216280611 815766509 /nfs/dbraw/zinc/76/65/09/815766509.db2.gz AFJHJHFXBNRZNW-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM Cc1noc([N-]c2ccc(F)c3ccoc32)c1C#N ZINC001216295797 815771082 /nfs/dbraw/zinc/77/10/82/815771082.db2.gz URWSFBOVEXSJES-UHFFFAOYSA-N -1 3 257.224 3.484 20 30 CGEDHM COc1cc(Nc2cc(C#N)ccc2[O-])c(Cl)cn1 ZINC001216386340 815806679 /nfs/dbraw/zinc/80/66/79/815806679.db2.gz JHVJIVVUGIUKFL-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM Cc1c(CO)cccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001243014835 823210244 /nfs/dbraw/zinc/21/02/44/823210244.db2.gz DHCAZCBLVJCWCL-CAOOACKPSA-N -1 3 259.280 3.102 20 30 CGEDHM C=C[C@H](CCCCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668066 817134768 /nfs/dbraw/zinc/13/47/68/817134768.db2.gz YHOMLEGQWSWFLG-SNVBAGLBSA-N -1 3 266.297 3.209 20 30 CGEDHM C[C@H](COc1ccccc1)Oc1cccc(/C=N/[O-])c1 ZINC001226114460 817277410 /nfs/dbraw/zinc/27/74/10/817277410.db2.gz KJNMCTTXZYXFFH-VVBXCHJUSA-N -1 3 271.316 3.341 20 30 CGEDHM C[C@H](C#C[Si](C)(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118338 817278351 /nfs/dbraw/zinc/27/83/51/817278351.db2.gz DHKRDLBQRIPQHS-SNVBAGLBSA-N -1 3 292.480 3.291 20 30 CGEDHM N#C[C@H](Oc1[n-]c(=O)nc2ccccc21)c1cccc(F)c1 ZINC001226980772 817523485 /nfs/dbraw/zinc/52/34/85/817523485.db2.gz LXYQJDURAHUNCD-AWEZNQCLSA-N -1 3 295.273 3.118 20 30 CGEDHM COC(=O)c1ccc([C@H](C)Oc2cc(C#N)ccc2[O-])cc1 ZINC001227345914 817628226 /nfs/dbraw/zinc/62/82/26/817628226.db2.gz QFQYDECXMXHMRR-NSHDSACASA-N -1 3 297.310 3.190 20 30 CGEDHM C[C@H](Cc1ccccc1)Oc1cc(C#N)ccc1[O-] ZINC001227350443 817629767 /nfs/dbraw/zinc/62/97/67/817629767.db2.gz MZBZOALJOOZTOW-GFCCVEGCSA-N -1 3 253.301 3.274 20 30 CGEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccccc1C#N ZINC001227351869 817630980 /nfs/dbraw/zinc/63/09/80/817630980.db2.gz ZNDHDEQHIJYRIR-NSHDSACASA-N -1 3 264.284 3.276 20 30 CGEDHM COCOc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001243208832 823292191 /nfs/dbraw/zinc/29/21/91/823292191.db2.gz OIZQCFKHKIRFHK-RQZCQDPDSA-N -1 3 275.279 3.284 20 30 CGEDHM C#C[C@@H](CCCCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854610 818023570 /nfs/dbraw/zinc/02/35/70/818023570.db2.gz UQSIPHYBUBFTGX-ZDUSSCGKSA-N -1 3 272.344 3.482 20 30 CGEDHM N#C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccc(F)c1 ZINC001228855120 818023987 /nfs/dbraw/zinc/02/39/87/818023987.db2.gz CRARAIFBHXFWIN-QGZVFWFLSA-N -1 3 297.285 3.304 20 30 CGEDHM CCCCN(CC#N)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870354 818193865 /nfs/dbraw/zinc/19/38/65/818193865.db2.gz VLBLLEFBFJWZSX-UHFFFAOYSA-N -1 3 266.772 3.480 20 30 CGEDHM CN(Cc1ccc(C#N)cc1[O-])Cc1ccccc1F ZINC001233386001 818607208 /nfs/dbraw/zinc/60/72/08/818607208.db2.gz ATHHAHJMWHCBKJ-UHFFFAOYSA-N -1 3 270.307 3.035 20 30 CGEDHM N#Cc1ccc(CN2CCc3c(Cl)cccc3C2)c([O-])c1 ZINC001233387102 818607394 /nfs/dbraw/zinc/60/73/94/818607394.db2.gz 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ZINC001240922799 821417261 /nfs/dbraw/zinc/41/72/61/821417261.db2.gz DYMWLFXURIUSPU-UHFFFAOYSA-N -1 3 298.305 3.260 20 30 CGEDHM Cn1cc2c(cccc2-c2ccc(/C=N/[O-])c(F)c2)n1 ZINC001241584627 821970857 /nfs/dbraw/zinc/97/08/57/821970857.db2.gz YGMWVNUJLNYPTE-CAOOACKPSA-N -1 3 269.279 3.188 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cccc(F)c3O)ccc21 ZINC001242353372 822962668 /nfs/dbraw/zinc/96/26/68/822962668.db2.gz ZEMYVVLSJOKOPY-VKAVYKQESA-N -1 3 257.264 3.323 20 30 CGEDHM Cc1ccc(C#N)cc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001242544715 823025824 /nfs/dbraw/zinc/02/58/24/823025824.db2.gz PJGXHXCNUBFMCI-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1ccc(C#N)cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001242544715 823025825 /nfs/dbraw/zinc/02/58/25/823025825.db2.gz PJGXHXCNUBFMCI-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM CC(=O)Nc1ccc(-c2ccc([O-])c(C#N)c2)c(C)c1 ZINC001242565335 823035045 /nfs/dbraw/zinc/03/50/45/823035045.db2.gz XTCCXHZMVXZPCE-UHFFFAOYSA-N -1 3 266.300 3.198 20 30 CGEDHM COC(=O)c1cc(-c2ccc([O-])c(C#N)c2)c(C)cc1OC ZINC001242565635 823035959 /nfs/dbraw/zinc/03/59/59/823035959.db2.gz OCTFRNFXJWSOLQ-UHFFFAOYSA-N -1 3 297.310 3.035 20 30 CGEDHM Cn1cncc1-c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565630 823036289 /nfs/dbraw/zinc/03/62/89/823036289.db2.gz NUWSBOIOPWLYTD-UHFFFAOYSA-N -1 3 275.311 3.331 20 30 CGEDHM CC(C)(C#N)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001347905629 936901732 /nfs/dbraw/zinc/90/17/32/936901732.db2.gz DFRGCGLNAXPWHD-UHFFFAOYSA-N -1 3 293.273 3.207 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1sccc1F ZINC001348025842 936907279 /nfs/dbraw/zinc/90/72/79/936907279.db2.gz HLDKKRQNFWMSIQ-UHFFFAOYSA-N -1 3 252.295 3.073 20 30 CGEDHM CCOC(=O)c1ncsc1[N-]c1ccc(C#N)cc1F ZINC000168536246 927355159 /nfs/dbraw/zinc/35/51/59/927355159.db2.gz BNERXPLCQVYHHL-UHFFFAOYSA-N -1 3 291.307 3.074 20 30 CGEDHM N#CCCCCNc1[n-]c(=O)c(Cl)cc1Cl ZINC001168427992 927572882 /nfs/dbraw/zinc/57/28/82/927572882.db2.gz RJXXGNIYTIAZJG-UHFFFAOYSA-N -1 3 260.124 3.200 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001458026529 937449072 /nfs/dbraw/zinc/44/90/72/937449072.db2.gz ZFVWORIVAVYJJS-ZIAGYGMSSA-N -1 3 265.328 3.337 20 30 CGEDHM C#C[C@@H](CCC)Oc1cc(O)cc([O-])c1Br ZINC001229096646 932093806 /nfs/dbraw/zinc/09/38/06/932093806.db2.gz HCXASQOEEIRCRF-VIFPVBQESA-N -1 3 285.137 3.041 20 30 CGEDHM C#C[C@H]1CCC[C@@H]1Oc1cccc([O-])c1Br ZINC001229141102 932104146 /nfs/dbraw/zinc/10/41/46/932104146.db2.gz INVVZXDNPATJKH-ONGXEEELSA-N -1 3 281.149 3.335 20 30 CGEDHM C#C[C@H]1CCC[C@@H]1Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229351549 932137154 /nfs/dbraw/zinc/13/71/54/932137154.db2.gz BPFZLLDWDHVFOL-UWVGGRQHSA-N -1 3 290.413 3.469 20 30 CGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(C)[n-]c(=O)c2C)O1 ZINC001229685387 932188641 /nfs/dbraw/zinc/18/86/41/932188641.db2.gz MGCPZUCDSQCNNG-WBMJQRKESA-N -1 3 292.379 3.080 20 30 CGEDHM O=C(c1cccc(F)n1)N([O-])CCCCc1ccccc1 ZINC001306896275 932891970 /nfs/dbraw/zinc/89/19/70/932891970.db2.gz QAFAOXGQEXWEIC-UHFFFAOYSA-N -1 3 288.322 3.075 20 30 CGEDHM CCCCCCCC[C@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC001466101364 937706649 /nfs/dbraw/zinc/70/66/49/937706649.db2.gz JKCUOYLPBFNWJW-NSHDSACASA-N -1 3 282.388 3.139 20 30 CGEDHM CCCCCCCC[C@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC001466101364 937706650 /nfs/dbraw/zinc/70/66/50/937706650.db2.gz JKCUOYLPBFNWJW-NSHDSACASA-N -1 3 282.388 3.139 20 30 CGEDHM CCCCCCCC[C@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC001466101364 937706651 /nfs/dbraw/zinc/70/66/51/937706651.db2.gz JKCUOYLPBFNWJW-NSHDSACASA-N -1 3 282.388 3.139 20 30 CGEDHM CCCCCCN([O-])C(=O)c1c(Cl)n[nH]c1CC ZINC001472621108 937778632 /nfs/dbraw/zinc/77/86/32/937778632.db2.gz HRHKGLRSSNWNHF-UHFFFAOYSA-N -1 3 273.764 3.037 20 30 CGEDHM Cc1csc([N-]C(=O)c2cc(Cl)ncc2F)c1C#N ZINC001525497475 938049903 /nfs/dbraw/zinc/04/99/03/938049903.db2.gz DCWCHLMOWJOJBX-UHFFFAOYSA-N -1 3 295.726 3.368 20 30 CGEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)ccn1 ZINC001559033430 938218976 /nfs/dbraw/zinc/21/89/76/938218976.db2.gz IEZFUBSXZFATQW-UHFFFAOYSA-N -1 3 276.723 3.075 20 30 CGEDHM CCCCCCN(O)C(=O)c1ccc(C)cc1[O-] ZINC001559034588 938219091 /nfs/dbraw/zinc/21/90/91/938219091.db2.gz HJVWKPGNGFREHW-UHFFFAOYSA-N -1 3 251.326 3.112 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](C)c1ccc(C)o1 ZINC001559034771 938219199 /nfs/dbraw/zinc/21/91/99/938219199.db2.gz PBGAQHBUETWOAV-GFCCVEGCSA-N -1 3 253.342 3.490 20 30 CGEDHM CCCCN([O-])C(=O)C[C@H]1CCc2ccccc2C1 ZINC001559035526 938219307 /nfs/dbraw/zinc/21/93/07/938219307.db2.gz UYQJEIVMSQTTOF-ZDUSSCGKSA-N -1 3 261.365 3.200 20 30 CGEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001570279376 961945841 /nfs/dbraw/zinc/94/58/41/961945841.db2.gz LUKBDUPDILGNKY-CQSZACIVSA-N -1 3 297.354 3.015 20 30 CGEDHM C=CCCCCSc1ccc(-c2nnn[n-]2)cc1F ZINC001573335539 962249832 /nfs/dbraw/zinc/24/98/32/962249832.db2.gz RFTCWDBRHUVISK-UHFFFAOYSA-N -1 3 278.356 3.454 20 30 CGEDHM C=CCCCCSc1ccc(-c2nn[n-]n2)cc1F ZINC001573335539 962249850 /nfs/dbraw/zinc/24/98/50/962249850.db2.gz RFTCWDBRHUVISK-UHFFFAOYSA-N -1 3 278.356 3.454 20 30 CGEDHM C=C1CCC(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588462967 963278751 /nfs/dbraw/zinc/27/87/51/963278751.db2.gz VPNVTPOWMQLWBL-UHFFFAOYSA-N -1 3 287.342 3.164 20 30 CGEDHM C=C1CCC(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588462967 963278762 /nfs/dbraw/zinc/27/87/62/963278762.db2.gz VPNVTPOWMQLWBL-UHFFFAOYSA-N -1 3 287.342 3.164 20 30 CGEDHM C=C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1F)C(=O)[O-] ZINC001588697943 963304439 /nfs/dbraw/zinc/30/44/39/963304439.db2.gz XCMCMIIOVZDJKZ-IAGOWNOFSA-N -1 3 299.345 3.338 20 30 CGEDHM C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC001589175183 963349957 /nfs/dbraw/zinc/34/99/57/963349957.db2.gz ROEIURWYSAWLHJ-CYBMUJFWSA-N -1 3 294.354 3.449 20 30 CGEDHM CC(C)[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001591089509 991635867 /nfs/dbraw/zinc/63/58/67/991635867.db2.gz ZONQNVFZGOEKNX-INIZCTEOSA-N -1 3 286.375 3.267 20 30 CGEDHM C=CCCCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621957151 349613320 /nfs/dbraw/zinc/61/33/20/349613320.db2.gz KGFTWULBWWEUOE-UHFFFAOYSA-N -1 3 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HJSSFUPTGNHFOR-NSHDSACASA-N -1 3 251.757 3.444 20 30 CGEDHM N#Cc1cccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436768877 237177320 /nfs/dbraw/zinc/17/73/20/237177320.db2.gz LJSJSHXYZVLIDH-WTKPLQERSA-N -1 3 289.294 3.484 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1ccc(Cl)o1 ZINC000032531109 368933700 /nfs/dbraw/zinc/93/37/00/368933700.db2.gz XLZDGRJQAZZTQA-UHFFFAOYSA-N -1 3 252.682 3.118 20 30 CGEDHM N#CC(=C([O-])c1ccsc1)c1nc2ccccc2[nH]1 ZINC000041496319 369188058 /nfs/dbraw/zinc/18/80/58/369188058.db2.gz FSMRYLCYLDHFDJ-SNVBAGLBSA-N -1 3 267.313 3.114 20 30 CGEDHM C#CCC1(C(=O)Nc2ccccc2[O-])CCCCC1 ZINC000276576291 193387288 /nfs/dbraw/zinc/38/72/88/193387288.db2.gz WPNUAISOJGVIQY-UHFFFAOYSA-N -1 3 257.333 3.305 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CC)c1nc(C)cs1 ZINC000293223733 372330376 /nfs/dbraw/zinc/33/03/76/372330376.db2.gz XRGNEAKCJKLYFM-VIFPVBQESA-N -1 3 274.336 3.230 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccccc3C)nc1-2 ZINC000429597741 372375735 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277.364 3.025 20 30 CGEDHM C=CC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000340160077 263080785 /nfs/dbraw/zinc/08/07/85/263080785.db2.gz RKTHCWUUHPXZKW-UHFFFAOYSA-N -1 3 265.740 3.084 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(Cl)ccc1OC ZINC000293293382 263139276 /nfs/dbraw/zinc/13/92/76/263139276.db2.gz ZCAMJTUYUILNEM-UHFFFAOYSA-N -1 3 289.709 3.176 20 30 CGEDHM N#CC[C@@H]1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000295506339 263178659 /nfs/dbraw/zinc/17/86/59/263178659.db2.gz GTAJIQDSVAEBEY-WFASDCNBSA-N -1 3 294.354 3.358 20 30 CGEDHM CCc1ccc([O-])c(C(=O)NC(C)(C)C(C)(C)CO)c1 ZINC000330807397 264043248 /nfs/dbraw/zinc/04/32/48/264043248.db2.gz KTDPMZBVPZXTTB-UHFFFAOYSA-N -1 3 279.380 3.056 20 30 CGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1[O-] ZINC000331246873 264179326 /nfs/dbraw/zinc/17/93/26/264179326.db2.gz VKMVEJAQNAVWHG-GXFFZTMASA-N -1 3 275.348 3.478 20 30 CGEDHM CC(=O)c1ccc(C(=O)NCC2CCCC2)cc1[O-] ZINC000331247965 264180096 /nfs/dbraw/zinc/18/00/96/264180096.db2.gz 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ZINC000735208717 572708776 /nfs/dbraw/zinc/70/87/76/572708776.db2.gz NRTDIKGWHLGZFN-DSYXLKISSA-N -1 3 290.750 3.344 20 30 CGEDHM C=C(Cl)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735402569 572719696 /nfs/dbraw/zinc/71/96/96/572719696.db2.gz XJYVFJXKKGDTNV-SECBINFHSA-N -1 3 280.784 3.413 20 30 CGEDHM C=C(Cl)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735402569 572719698 /nfs/dbraw/zinc/71/96/98/572719698.db2.gz XJYVFJXKKGDTNV-SECBINFHSA-N -1 3 280.784 3.413 20 30 CGEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000736662467 572803056 /nfs/dbraw/zinc/80/30/56/572803056.db2.gz PDNKJPBCXONPKS-BLLLJJGKSA-N -1 3 280.327 3.035 20 30 CGEDHM CCOc1ccc(/C=N\[C@H](CC)C2CCOCC2)c([O-])c1 ZINC000746393889 572869247 /nfs/dbraw/zinc/86/92/47/572869247.db2.gz LYPIEDMBNKKBHW-UWCCDQBKSA-N -1 3 291.391 3.415 20 30 CGEDHM CC[C@H](/N=C\c1c([O-])cccc1OC)C1CCOCC1 ZINC000746394816 572869593 /nfs/dbraw/zinc/86/95/93/572869593.db2.gz SHNJBEDMCGGDDR-FMNVXAMXSA-N -1 3 277.364 3.025 20 30 CGEDHM CCN(CC)c1ccc(C=NOCc2cccnc2)c([O-])c1 ZINC000746587009 572882467 /nfs/dbraw/zinc/88/24/67/572882467.db2.gz BUKRAQCTZJAHBK-UHFFFAOYSA-N -1 3 299.374 3.184 20 30 CGEDHM C#CCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000746891854 572900039 /nfs/dbraw/zinc/90/00/39/572900039.db2.gz LAJILTQXZLCAIY-UHFFFAOYSA-N -1 3 295.338 3.328 20 30 CGEDHM C=CCn1c(SCCCSC(C)(C)C)n[n-]c1=O ZINC000865358979 630072227 /nfs/dbraw/zinc/07/22/27/630072227.db2.gz BUOZGDATCJZIEB-UHFFFAOYSA-N -1 3 287.454 3.184 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822225280 606302297 /nfs/dbraw/zinc/30/22/97/606302297.db2.gz WJSZXZLRTFUHQE-VOTSOKGWSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822225280 606302299 /nfs/dbraw/zinc/30/22/99/606302299.db2.gz WJSZXZLRTFUHQE-VOTSOKGWSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1ccc(F)cc1N=Cc1ccc(O)c([O-])c1O ZINC000254982249 617714239 /nfs/dbraw/zinc/71/42/39/617714239.db2.gz ROGMFUMLSIZDSA-UHFFFAOYSA-N -1 3 261.252 3.002 20 30 CGEDHM CCc1ocnc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091632 620761169 /nfs/dbraw/zinc/76/11/69/620761169.db2.gz FFFLASYNNRLAHE-UHFFFAOYSA-N -1 3 296.326 3.422 20 30 CGEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1C ZINC000255226157 618107195 /nfs/dbraw/zinc/10/71/95/618107195.db2.gz CBBKQHZUQIOUGA-UHFFFAOYSA-N -1 3 257.289 3.171 20 30 CGEDHM O=C(/C=C\c1ccc([O-])c(F)c1)c1cccc(O)c1 ZINC000255568473 618714380 /nfs/dbraw/zinc/71/43/80/618714380.db2.gz ZPVQFROXVJWSPZ-XQRVVYSFSA-N -1 3 258.248 3.133 20 30 CGEDHM Cc1cc([O-])c(C=NNC[C@@H]2CCSC2)c(Cl)c1 ZINC000841639047 618759308 /nfs/dbraw/zinc/75/93/08/618759308.db2.gz JKZRWJIMEQXBFF-JTQLQIEISA-N -1 3 284.812 3.031 20 30 CGEDHM CCCCCCCCC(=O)[N-]OCc1ccccn1 ZINC000909523872 619854039 /nfs/dbraw/zinc/85/40/39/619854039.db2.gz QNVHMARDQQZBBA-UHFFFAOYSA-N -1 3 264.369 3.380 20 30 CGEDHM C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccco1 ZINC000901372205 620866701 /nfs/dbraw/zinc/86/67/01/620866701.db2.gz UOZLCINTJSFRCO-LLVKDONJSA-N -1 3 277.295 3.330 20 30 CGEDHM CCc1nc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000901374905 620867990 /nfs/dbraw/zinc/86/79/90/620867990.db2.gz WGZNCHHOGPPXIM-UHFFFAOYSA-N -1 3 294.351 3.185 20 30 CGEDHM Cc1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1C ZINC000901376804 620868740 /nfs/dbraw/zinc/86/87/40/620868740.db2.gz YFDOKBGXHPJYKD-UHFFFAOYSA-N -1 3 287.334 3.403 20 30 CGEDHM C[C@@H](NCC1(C#N)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903105648 621578091 /nfs/dbraw/zinc/57/80/91/621578091.db2.gz GQUAFPJSKQXSDR-SECBINFHSA-N -1 3 284.281 3.365 20 30 CGEDHM C=CCN(Cc1cccs1)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903595346 621773602 /nfs/dbraw/zinc/77/36/02/621773602.db2.gz LKZPOTJPNSUIJV-YPMHNXCESA-N -1 3 267.394 3.235 20 30 CGEDHM CC(C)c1ocnc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904188751 621886331 /nfs/dbraw/zinc/88/63/31/621886331.db2.gz MPEUZLVWNUHIIV-UHFFFAOYSA-N -1 3 294.738 3.483 20 30 CGEDHM CC[C@H]1C[C@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904190005 621886926 /nfs/dbraw/zinc/88/69/26/621886926.db2.gz FOEISCMOWDAZMB-YPMHNXCESA-N -1 3 297.782 3.263 20 30 CGEDHM CO[C@@H]1CCC[C@@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193050 621887278 /nfs/dbraw/zinc/88/72/78/621887278.db2.gz JYGMBDUDKXJPGH-DGCLKSJQSA-N -1 3 297.782 3.263 20 30 CGEDHM C[C@H]1C(=O)CC[C@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904192978 621887314 /nfs/dbraw/zinc/88/73/14/621887314.db2.gz HCTXHEATAXTVNJ-MNOVXSKESA-N -1 3 295.766 3.063 20 30 CGEDHM CCCCCCN([O-])C(=O)C(C)(C)c1cccnc1 ZINC000904204602 621889769 /nfs/dbraw/zinc/88/97/69/621889769.db2.gz POCVNDIYVPXJIL-UHFFFAOYSA-N -1 3 264.369 3.157 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000904204788 621889799 /nfs/dbraw/zinc/88/97/99/621889799.db2.gz VLRKVFFJCARLRB-LLVKDONJSA-N -1 3 281.400 3.318 20 30 CGEDHM CC(C)OC(=O)[C@@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000173989578 623353009 /nfs/dbraw/zinc/35/30/09/623353009.db2.gz QLSOCXISQNLWBC-MDKXCRPYSA-N -1 3 283.755 3.052 20 30 CGEDHM CC(=NN=c1[nH]c2ccccc2n1C)c1cc(F)ccc1[O-] ZINC000915971524 624086547 /nfs/dbraw/zinc/08/65/47/624086547.db2.gz 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C=C(C)C[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OCC ZINC000887268324 637785525 /nfs/dbraw/zinc/78/55/25/637785525.db2.gz IZKTWSQBSAKDCX-YRUBURHZSA-N -1 3 295.766 3.362 20 30 CGEDHM Cc1ncc(CO)c(/C=N/C2CCCCCCC2)c1[O-] ZINC000005110600 638232006 /nfs/dbraw/zinc/23/20/06/638232006.db2.gz WRCZSJIDCQEKPV-VCHYOVAHSA-N -1 3 276.380 3.120 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1cccc(OCC=C(C)C)c1 ZINC000856027463 638286356 /nfs/dbraw/zinc/28/63/56/638286356.db2.gz NJZDGHOXMKCXEZ-UHFFFAOYSA-N -1 3 289.375 3.198 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000856033123 638288822 /nfs/dbraw/zinc/28/88/22/638288822.db2.gz YOSMAUZFTPXOON-UHFFFAOYSA-N -1 3 261.365 3.151 20 30 CGEDHM Cc1ncsc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000078694228 640333506 /nfs/dbraw/zinc/33/35/06/640333506.db2.gz KNVYHCSGGZRQFS-AATRIKPKSA-N -1 3 259.330 3.362 20 30 CGEDHM O=C(Cc1ccco1)N([O-])CCCCc1ccccc1 ZINC001161818932 806463452 /nfs/dbraw/zinc/46/34/52/806463452.db2.gz JHFJLFGILDZRBK-UHFFFAOYSA-N -1 3 273.332 3.063 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c(C)o1 ZINC000127491409 799014185 /nfs/dbraw/zinc/01/41/85/799014185.db2.gz HSBZJIZQJBSACX-HNNXBMFYSA-N -1 3 296.326 3.166 20 30 CGEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C)o2)CCCCC1 ZINC000451941045 799629153 /nfs/dbraw/zinc/62/91/53/799629153.db2.gz NDYLOELDNYVRRV-UHFFFAOYSA-N -1 3 283.393 3.145 20 30 CGEDHM CCc1c(C)sc([N-]C(=O)c2ccc(C#N)o2)c1C#N ZINC001125717946 803072569 /nfs/dbraw/zinc/07/25/69/803072569.db2.gz REWQXIZDYDHSSN-UHFFFAOYSA-N -1 3 285.328 3.208 20 30 CGEDHM N#CC1(c2cccc(-c3ccccc3-c3nnn[n-]3)c2)CC1 ZINC001244074100 803172267 /nfs/dbraw/zinc/17/22/67/803172267.db2.gz LCMHIAAHODSLDN-UHFFFAOYSA-N -1 3 287.326 3.089 20 30 CGEDHM N#CC1(c2cccc(-c3ccccc3-c3nn[n-]n3)c2)CC1 ZINC001244074100 803172272 /nfs/dbraw/zinc/17/22/72/803172272.db2.gz LCMHIAAHODSLDN-UHFFFAOYSA-N -1 3 287.326 3.089 20 30 CGEDHM N#Cc1ccc(F)c([N-]C(=O)c2c(F)ccc(F)c2F)c1 ZINC001129602758 803242513 /nfs/dbraw/zinc/24/25/13/803242513.db2.gz ILGZIFYPRCZBEP-UHFFFAOYSA-N -1 3 294.207 3.367 20 30 CGEDHM CCc1cc(-c2cc(/C=N/[O-])ccc2F)ccc1CO ZINC001244646827 803478252 /nfs/dbraw/zinc/47/82/52/803478252.db2.gz IMXVWFRERYZUEI-GIJQJNRQSA-N -1 3 273.307 3.356 20 30 CGEDHM C=CCC(C)(C)C(=O)Nc1c([O-])cccc1C(C)=O ZINC001144073129 804933193 /nfs/dbraw/zinc/93/31/93/804933193.db2.gz PITNDTYPXYXYHR-UHFFFAOYSA-N -1 3 261.321 3.136 20 30 CGEDHM N#Cc1ncc(Nc2cccc([O-])c2F)cc1Cl ZINC001212548567 815062241 /nfs/dbraw/zinc/06/22/41/815062241.db2.gz TYQGYAWBVURFSW-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM Cc1ccc(C#N)c(Nc2cc(Cl)ncc2[O-])c1 ZINC001249899389 805289024 /nfs/dbraw/zinc/28/90/24/805289024.db2.gz MWORPAIVMKNQNH-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM CC(=O)Nc1ccc(Nc2cccc([O-])c2F)cc1C#N ZINC001212551347 815064668 /nfs/dbraw/zinc/06/46/68/815064668.db2.gz NDHTYIPENMVFIP-UHFFFAOYSA-N -1 3 285.278 3.105 20 30 CGEDHM N#Cc1ccc(Nc2c([O-])cccc2F)c(C#N)c1 ZINC001250000753 805358480 /nfs/dbraw/zinc/35/84/80/805358480.db2.gz VPHJJSROQGYESA-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM C=C(CC(C)C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001263824132 808007804 /nfs/dbraw/zinc/00/78/04/808007804.db2.gz DDQSBWNHEOPXBG-UHFFFAOYSA-N -1 3 261.321 3.136 20 30 CGEDHM CC(C)CCn1cc(Nc2cc(C#N)ccc2[O-])cn1 ZINC001174415197 809008739 /nfs/dbraw/zinc/00/87/39/809008739.db2.gz RZUXFFCXEKTNAB-UHFFFAOYSA-N -1 3 270.336 3.250 20 30 CGEDHM N#Cc1ccc(Nc2ccc([O-])c(F)c2)cc1C#N ZINC001174737756 809147342 /nfs/dbraw/zinc/14/73/42/809147342.db2.gz NCLIANSYMBQFOU-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM N#Cc1cc(Nc2cc(F)c(F)cc2F)ccc1[O-] ZINC001175087569 809264949 /nfs/dbraw/zinc/26/49/49/809264949.db2.gz VXDKMTCVIRNESJ-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1cc(C)c(Nc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC001175432414 809402873 /nfs/dbraw/zinc/40/28/73/809402873.db2.gz MDEYXFNAPHQNHA-UHFFFAOYSA-N -1 3 290.330 3.099 20 30 CGEDHM N#Cc1sccc1C(=O)Nc1ccc([O-])cc1Cl ZINC001300698968 809571586 /nfs/dbraw/zinc/57/15/86/809571586.db2.gz BJIFNTCIERDUNK-UHFFFAOYSA-N -1 3 278.720 3.231 20 30 CGEDHM 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C=CCn1c(SC[C@H]2CCCCC2(C)C)n[n-]c1=O ZINC001458998705 937477354 /nfs/dbraw/zinc/47/73/54/937477354.db2.gz XVBAOBBLLIIQLC-LLVKDONJSA-N -1 3 281.425 3.478 20 30 CGEDHM CC#C[C@H](CC)Oc1cccc([O-])c1Br ZINC001229142271 932103780 /nfs/dbraw/zinc/10/37/80/932103780.db2.gz NMIQPSFFPZPKLF-VIFPVBQESA-N -1 3 269.138 3.335 20 30 CGEDHM CCCCCCN([O-])C(=O)c1snnc1C(C)C ZINC001306896579 932892543 /nfs/dbraw/zinc/89/25/43/932892543.db2.gz CVEXDAQZIHQKJL-UHFFFAOYSA-N -1 3 271.386 3.073 20 30 CGEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1C#N ZINC001306898672 932892999 /nfs/dbraw/zinc/89/29/99/932892999.db2.gz MTVVLPZEMGNBOP-UHFFFAOYSA-N -1 3 284.290 3.037 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc(-c2cccnc2)on1 ZINC001472619588 937778556 /nfs/dbraw/zinc/77/85/56/937778556.db2.gz RUAMOHBORDLEAP-UHFFFAOYSA-N -1 3 289.335 3.148 20 30 CGEDHM CCCCN([O-])C(=O)CCC(=O)c1cc(C)sc1C ZINC001472621096 937778636 /nfs/dbraw/zinc/77/86/36/937778636.db2.gz GVHBYWFEUUYDLE-UHFFFAOYSA-N -1 3 283.393 3.346 20 30 CGEDHM 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CGEDHM C=CC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000595660740 347334423 /nfs/dbraw/zinc/33/44/23/347334423.db2.gz VSDAIDHGGHEXTM-GFCCVEGCSA-N -1 3 276.336 3.089 20 30 CGEDHM CC(C)(CCC#N)CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000599006539 347706328 /nfs/dbraw/zinc/70/63/28/347706328.db2.gz LVVPBZADXHORJQ-UHFFFAOYSA-N -1 3 284.363 3.320 20 30 CGEDHM Cc1cccc(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC000613291134 348586130 /nfs/dbraw/zinc/58/61/30/348586130.db2.gz UPQRLPGSCJPVGQ-CQSZACIVSA-N -1 3 287.322 3.428 20 30 CGEDHM N#Cc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC000352020231 219290820 /nfs/dbraw/zinc/29/08/20/219290820.db2.gz GEXWSMOAGHXROI-AATRIKPKSA-N -1 3 281.290 3.241 20 30 CGEDHM CC(C)(C)n1cc(C#N)cc1NC([O-])=NOC1CCCC1 ZINC000271736286 191298678 /nfs/dbraw/zinc/29/86/78/191298678.db2.gz VFDZCHDOPLLQEZ-UHFFFAOYSA-N -1 3 290.367 3.110 20 30 CGEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)[N-]OC1CCCC1 ZINC000271736286 191298684 /nfs/dbraw/zinc/29/86/84/191298684.db2.gz VFDZCHDOPLLQEZ-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/53/92/08/377539208.db2.gz NPSHAAXXYQCMBW-OAHLLOKOSA-N -1 3 279.355 3.313 20 30 CGEDHM Cc1ncc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000345388107 378274914 /nfs/dbraw/zinc/27/49/14/378274914.db2.gz AUXAYQQDYNZXRZ-SNVBAGLBSA-N -1 3 296.355 3.126 20 30 CGEDHM CC#CCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274341903 378815229 /nfs/dbraw/zinc/81/52/29/378815229.db2.gz DWQQVFVYMVSJES-ZDUSSCGKSA-N -1 3 271.360 3.426 20 30 CGEDHM COc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2C)c1[O-] ZINC000171614920 533623269 /nfs/dbraw/zinc/62/32/69/533623269.db2.gz CVNYKARVJAWJQX-UHFFFAOYSA-N -1 3 296.326 3.142 20 30 CGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000120867734 392404707 /nfs/dbraw/zinc/40/47/07/392404707.db2.gz AYTGMZIQUMCKBQ-SECBINFHSA-N -1 3 291.775 3.030 20 30 CGEDHM C=CCOc1ccc(C(=O)Nc2ccccc2[O-])cc1OC ZINC000198139374 392977579 /nfs/dbraw/zinc/97/75/79/392977579.db2.gz KCYQCHMZOZRGBE-UHFFFAOYSA-N -1 3 299.326 3.218 20 30 CGEDHM Cc1noc(C)c1C[C@@H](C)/N=C/c1ccccc1[O-] ZINC000078022738 260299072 /nfs/dbraw/zinc/29/90/72/260299072.db2.gz JQXVZTFDLBYTSI-VCBXAZPMSA-N -1 3 258.321 3.047 20 30 CGEDHM CC(C)(C#N)CCCC[S@@](=O)c1ccc([O-])cc1 ZINC000278352635 263047388 /nfs/dbraw/zinc/04/73/88/263047388.db2.gz WGLUZNRKMHHNFJ-GOSISDBHSA-N -1 3 265.378 3.220 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2ccnn2C(C)C)ccc1[O-] ZINC000280138551 263059214 /nfs/dbraw/zinc/05/92/14/263059214.db2.gz YTUVGVXBFCHVFL-FNORWQNLSA-N -1 3 270.332 3.374 20 30 CGEDHM C[C@H](/N=C/c1c([O-])ccc2ccccc21)[C@H]1CCOC1 ZINC000280967400 263065260 /nfs/dbraw/zinc/06/52/60/263065260.db2.gz IWLDKTVCPQLFGA-KCELOSIBSA-N -1 3 269.344 3.389 20 30 CGEDHM C[C@H](CC#N)N(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294739484 263166784 /nfs/dbraw/zinc/16/67/84/263166784.db2.gz XXYJMBSEJFHJSK-CYBMUJFWSA-N -1 3 296.370 3.239 20 30 CGEDHM CCOc1nc2cc(C(=O)NC(C)(C)C)ccc2[n-]1 ZINC000330988045 264104501 /nfs/dbraw/zinc/10/45/01/264104501.db2.gz XMPOFDBHKGYQNV-UHFFFAOYSA-N -1 3 261.325 3.065 20 30 CGEDHM CCOc1nc2ccc(C(=O)NC(C)(C)C)cc2[n-]1 ZINC000330988045 264104504 /nfs/dbraw/zinc/10/45/04/264104504.db2.gz XMPOFDBHKGYQNV-UHFFFAOYSA-N -1 3 261.325 3.065 20 30 CGEDHM CC(C)c1ccc(C(=O)NC[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000331229267 264151501 /nfs/dbraw/zinc/15/15/01/264151501.db2.gz GGXGMRSCBASJGN-CQSZACIVSA-N -1 3 279.380 3.227 20 30 CGEDHM CC(=O)c1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)cc1[O-] ZINC000331339423 264194485 /nfs/dbraw/zinc/19/44/85/264194485.db2.gz JSTJIVSSRYHUGG-MJHDQNEOSA-N -1 3 275.348 3.478 20 30 CGEDHM C=C(C)C[C@H](C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000572814418 328132197 /nfs/dbraw/zinc/13/21/97/328132197.db2.gz VZIWFQBJGWYRGJ-VIFPVBQESA-N -1 3 269.308 3.078 20 30 CGEDHM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1ccccn1 ZINC000190832579 329549882 /nfs/dbraw/zinc/54/98/82/329549882.db2.gz MQJJGOITLRHLEC-GFCCVEGCSA-N -1 3 283.331 3.067 20 30 CGEDHM C=C(C)C(C)(C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000424222367 330329913 /nfs/dbraw/zinc/32/99/13/330329913.db2.gz MIRGHCKPGUOISK-UHFFFAOYSA-N -1 3 274.320 3.305 20 30 CGEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000433368689 330627198 /nfs/dbraw/zinc/62/71/98/330627198.db2.gz YHWJBDCOTLTAJG-ZDUSSCGKSA-N -1 3 298.317 3.242 20 30 CGEDHM C=CCn1cccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000489061185 332040027 /nfs/dbraw/zinc/04/00/27/332040027.db2.gz OVVPLKZECZOJCD-UHFFFAOYSA-N -1 3 276.723 3.285 20 30 CGEDHM C=CC[C@@H](C(=O)N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000576452089 335205011 /nfs/dbraw/zinc/20/50/11/335205011.db2.gz DMUBMUGGOXZOSD-MRXNPFEDSA-N -1 3 291.354 3.055 20 30 CGEDHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1Cl ZINC000182440887 335819867 /nfs/dbraw/zinc/81/98/67/335819867.db2.gz SMJPOHKGZBNFMV-CQSZACIVSA-N -1 3 286.718 3.040 20 30 CGEDHM CC(C)C[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000749614436 573024231 /nfs/dbraw/zinc/02/42/31/573024231.db2.gz COROUAOPRUYKKE-AWEZNQCLSA-N -1 3 280.318 3.223 20 30 CGEDHM CC(=NNCc1ccc(F)cc1F)c1ccccc1[O-] ZINC000727061805 571710955 /nfs/dbraw/zinc/71/09/55/571710955.db2.gz MWOQOZIAHZUIPG-UHFFFAOYSA-N -1 3 276.286 3.184 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@H](C)c1nc(C)cs1 ZINC000727653371 571761022 /nfs/dbraw/zinc/76/10/22/571761022.db2.gz MGQPKEIKKMJSCV-CBQSTYFFSA-N -1 3 276.361 3.346 20 30 CGEDHM CCOc1ccc(/C=N/C[C@@H](O)C2CCCCC2)c([O-])c1 ZINC000727685681 571762925 /nfs/dbraw/zinc/76/29/25/571762925.db2.gz WWLRGMZIYRHAPC-AUUUKSDWSA-N -1 3 291.391 3.151 20 30 CGEDHM COc1c(O)cccc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728232979 571797405 /nfs/dbraw/zinc/79/74/05/571797405.db2.gz ZNBADUYPSJDBIU-TWGQIWQCSA-N -1 3 284.311 3.311 20 30 CGEDHM Cc1cc(C)cc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000730434289 572353354 /nfs/dbraw/zinc/35/33/54/572353354.db2.gz IQPZBKXDYUCZMO-QOJWJBQSSA-N -1 3 298.386 3.385 20 30 CGEDHM Cc1cc(N=NCc2c([O-])ccc3ccccc32)ncn1 ZINC000731935573 572439295 /nfs/dbraw/zinc/43/92/95/572439295.db2.gz GWCOTQBRWTXVRZ-UHFFFAOYSA-N -1 3 278.315 3.090 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H]1C[C@H]1Cc1ccccc1 ZINC000741465082 572500659 /nfs/dbraw/zinc/50/06/59/572500659.db2.gz SVIUXPJYMCJAHX-KLOKQTISSA-N -1 3 281.355 3.451 20 30 CGEDHM CC[C@@H](/N=C\c1c([O-])cccc1OC)c1ccncc1 ZINC000741466047 572500696 /nfs/dbraw/zinc/50/06/96/572500696.db2.gz BVPPOQSDURUIJI-JVVDOCDTSA-N -1 3 270.332 3.366 20 30 CGEDHM C[C@]1(C/N=C\c2c([O-])ccc3ccccc32)CCOC1 ZINC000733080943 572506969 /nfs/dbraw/zinc/50/69/69/572506969.db2.gz HEIPRYNQXRURJV-RMFUMNGISA-N -1 3 269.344 3.391 20 30 CGEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000741642569 572516119 /nfs/dbraw/zinc/51/61/19/572516119.db2.gz NQPWUILUXYZBON-UHFFFAOYSA-N -1 3 299.301 3.104 20 30 CGEDHM C#CCOc1ccc(F)cc1NC(=O)c1cccc(C)c1[O-] ZINC000741641035 572516169 /nfs/dbraw/zinc/51/61/69/572516169.db2.gz AQWALLXPVSZGFB-UHFFFAOYSA-N -1 3 299.301 3.104 20 30 CGEDHM Cc1cc(C)cc(C[C@H](C)/N=C\c2ccc(O)c([O-])c2O)c1 ZINC000741844927 572534902 /nfs/dbraw/zinc/53/49/02/572534902.db2.gz REDALTYNRJODKJ-GJUHEBOISA-N -1 3 299.370 3.470 20 30 CGEDHM CCOc1ccc(/C=N\CC2CCSCC2)c([O-])c1 ZINC000733204869 572542640 /nfs/dbraw/zinc/54/26/40/572542640.db2.gz CCZKUTRVHWFWCK-WJDWOHSUSA-N -1 3 279.405 3.353 20 30 CGEDHM CC(C)N(CCC#N)Cc1c([O-])ccc2ccncc21 ZINC000739841726 572586936 /nfs/dbraw/zinc/58/69/36/572586936.db2.gz PHMPTHYZXDKVLN-UHFFFAOYSA-N -1 3 269.348 3.064 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/Cc2coc3ccccc23)c1O ZINC000733903221 572611521 /nfs/dbraw/zinc/61/15/21/572611521.db2.gz IVKGQDIEHQKDOA-REZTVBANSA-N -1 3 283.283 3.169 20 30 CGEDHM CCOc1ccc(/C=N\[C@@H](C)c2ccccn2)c([O-])c1 ZINC000743539098 572670314 /nfs/dbraw/zinc/67/03/14/572670314.db2.gz UCIWWRXVZOPISW-SJWFJVLYSA-N -1 3 270.332 3.366 20 30 CGEDHM CCCC=CC([O-])=C(C#N)c1nc2ccccc2o1 ZINC000735208238 572709075 /nfs/dbraw/zinc/70/90/75/572709075.db2.gz XSFUGRYAOPBHGY-SOZJPDODSA-N -1 3 254.289 3.360 20 30 CGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])C=CC1CCCCC1 ZINC000735594326 572731102 /nfs/dbraw/zinc/73/11/02/572731102.db2.gz XKCXNKHUVCMTJX-YUQCYMQKSA-N -1 3 296.370 3.470 20 30 CGEDHM C=CCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000356063644 572842269 /nfs/dbraw/zinc/84/22/69/572842269.db2.gz VVIMBHZQMLFAAW-UHFFFAOYSA-N -1 3 255.317 3.241 20 30 CGEDHM C#CCN(CC)Cc1c2ccccc2sc1C(=O)[O-] ZINC000382480519 601227819 /nfs/dbraw/zinc/22/78/19/601227819.db2.gz OAHMBIWXUHYDAJ-UHFFFAOYSA-N -1 3 273.357 3.055 20 30 CGEDHM CCc1onc(C)c1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000899341131 620644736 /nfs/dbraw/zinc/64/47/36/620644736.db2.gz UFEOBOPZIPLFAQ-SOFGYWHQSA-N -1 3 287.315 3.156 20 30 CGEDHM C=C(CC)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833369808 605014681 /nfs/dbraw/zinc/01/46/81/605014681.db2.gz FOTJJCLMTLJHIU-ZDUSSCGKSA-N -1 3 287.281 3.128 20 30 CGEDHM C=CC[C@@H](C)N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833369811 605356761 /nfs/dbraw/zinc/35/67/61/605356761.db2.gz FREYWKRIDMZEKK-PELKAZGASA-N -1 3 271.719 3.159 20 30 CGEDHM Cc1cccc(CCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000900094558 620761005 /nfs/dbraw/zinc/76/10/05/620761005.db2.gz PSNBRLCMVUXXAV-UHFFFAOYSA-N -1 3 287.334 3.485 20 30 CGEDHM O=C(Cc1ccco1)N([O-])Cc1cccc2ccccc21 ZINC000900091620 620761543 /nfs/dbraw/zinc/76/15/43/620761543.db2.gz DPAQTAGDVOKMOP-UHFFFAOYSA-N -1 3 281.311 3.393 20 30 CGEDHM CCOCc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255828152 618794787 /nfs/dbraw/zinc/79/47/87/618794787.db2.gz ANOFOHVKWGOLAQ-UHFFFAOYSA-N -1 3 287.315 3.091 20 30 CGEDHM CCC(CC)[C@H](O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000255833175 618795479 /nfs/dbraw/zinc/79/54/79/618795479.db2.gz JUQJGGFGEMZJKU-MEFZMRIGSA-N -1 3 269.772 3.262 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccsc2)ccc1[O-] ZINC000005156317 619236169 /nfs/dbraw/zinc/23/61/69/619236169.db2.gz BKZWLGQDTZXHON-DUXPYHPUSA-N -1 3 260.314 3.358 20 30 CGEDHM N#CCc1cccc2c1CCN(Cc1ccc([O-])c(F)c1)C2 ZINC000895668212 619868866 /nfs/dbraw/zinc/86/88/66/619868866.db2.gz YYZGCJSURXXBHP-UHFFFAOYSA-N -1 3 296.345 3.156 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCC[C@H]1CCOC1 ZINC000840711826 620139699 /nfs/dbraw/zinc/13/96/99/620139699.db2.gz ZETSFVPYEQOMMK-RCEBRVLHSA-N -1 3 267.756 3.281 20 30 CGEDHM C[C@H]1CCCC[C@H]1OCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372186 620866727 /nfs/dbraw/zinc/86/67/27/620866727.db2.gz UELSTWJGFCBLID-SWLSCSKDSA-N -1 3 295.354 3.139 20 30 CGEDHM CCS[C@H](C(=O)N([O-])Cc1ccc(F)cc1)C(C)C ZINC000901374889 620868316 /nfs/dbraw/zinc/86/83/16/620868316.db2.gz VLMMUPGQADWWBY-ZDUSSCGKSA-N -1 3 285.384 3.321 20 30 CGEDHM C=CCn1c(SCCCCC2(C#N)CCC2)n[n-]c1=O ZINC000901509226 620908335 /nfs/dbraw/zinc/90/83/35/620908335.db2.gz RPVBCACOGGCBGR-UHFFFAOYSA-N -1 3 292.408 3.126 20 30 CGEDHM CS[C@H](C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904190139 621886863 /nfs/dbraw/zinc/88/68/63/621886863.db2.gz IFIZUNRSTHKQJY-SECBINFHSA-N -1 3 273.785 3.199 20 30 CGEDHM CC(C)(C#N)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170224 621883900 /nfs/dbraw/zinc/88/39/00/621883900.db2.gz HDLINQNPPUBVMO-UHFFFAOYSA-N -1 3 268.316 3.107 20 30 CGEDHM O=C(C[C@@H]1CCCOC1)N([O-])Cc1cccc2ccccc21 ZINC000904172102 621884546 /nfs/dbraw/zinc/88/45/46/621884546.db2.gz ZBZCZEMNVQLBRM-AWEZNQCLSA-N -1 3 299.370 3.374 20 30 CGEDHM 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ZINC001242351778 822961726 /nfs/dbraw/zinc/96/17/26/822961726.db2.gz SMOGKFNSCLCYCG-UHFFFAOYSA-N -1 3 261.227 3.240 20 30 CGEDHM CCOc1ccc(-c2ccc([O-])c(C#N)c2)cc1OC ZINC001242566461 823036911 /nfs/dbraw/zinc/03/69/11/823036911.db2.gz AMVUOOVRNGDTOJ-UHFFFAOYSA-N -1 3 269.300 3.338 20 30 CGEDHM C#Cc1ccc(Nc2ncc(Br)cc2[O-])cc1 ZINC001210113512 926707043 /nfs/dbraw/zinc/70/70/43/926707043.db2.gz OXGDJWTUYBHFNU-UHFFFAOYSA-N -1 3 289.132 3.275 20 30 CGEDHM CC[C@@H]1C[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001458008157 937448345 /nfs/dbraw/zinc/44/83/45/937448345.db2.gz MPZGXXUKEMQJJZ-HUUCEWRRSA-N -1 3 261.365 3.273 20 30 CGEDHM CCCCCCN([O-])C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001458012201 937448528 /nfs/dbraw/zinc/44/85/28/937448528.db2.gz SAPHCVOGILJYGE-ZDUSSCGKSA-N -1 3 271.401 3.380 20 30 CGEDHM CCCCN([O-])C(=O)C1(c2ccccc2C)CCC1 ZINC001458023295 937449195 /nfs/dbraw/zinc/44/91/95/937449195.db2.gz MXELQSFEOCMEJI-UHFFFAOYSA-N -1 3 261.365 3.435 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 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N#Cc1ccc(F)c([N-]C(=O)c2scnc2Cl)c1 ZINC001535455238 938101337 /nfs/dbraw/zinc/10/13/37/938101337.db2.gz INFBTHVCVGHVFU-UHFFFAOYSA-N -1 3 281.699 3.060 20 30 CGEDHM N#Cc1c(F)cccc1NCCc1c(F)cc([O-])cc1F ZINC001559287513 938224631 /nfs/dbraw/zinc/22/46/31/938224631.db2.gz URTLAUPGENOMFI-UHFFFAOYSA-N -1 3 292.260 3.336 20 30 CGEDHM C=C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1F)C(=O)[O-] ZINC001588697945 963303911 /nfs/dbraw/zinc/30/39/11/963303911.db2.gz XCMCMIIOVZDJKZ-IRXDYDNUSA-N -1 3 299.345 3.338 20 30 CGEDHM CCCCCCCCCCN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001595705183 982282464 /nfs/dbraw/zinc/28/24/64/982282464.db2.gz QYQUIUNVYUVXDD-GJZGRUSLSA-N -1 3 285.428 3.301 20 30 CGEDHM CC(C)N(Cc1occc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC001591596562 992822348 /nfs/dbraw/zinc/82/23/48/992822348.db2.gz ICUMGHQHCKQHOP-UHFFFAOYSA-N -1 3 298.342 3.260 20 30 CGEDHM Cc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1[O-] ZINC000049632983 345074576 /nfs/dbraw/zinc/07/45/76/345074576.db2.gz MAQZERPVCWSDCA-UHFFFAOYSA-N -1 3 266.300 3.019 20 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CGEDHM Cc1cc(-c2ccc(C#N)cc2[O-])ccc1O[C@H]1CCOC1 ZINC000600779387 347834770 /nfs/dbraw/zinc/83/47/70/347834770.db2.gz TWJAWRVDRJGDOP-HNNXBMFYSA-N -1 3 295.338 3.407 20 30 CGEDHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@@H]1CCC[C@H]1C#N ZINC000601818224 347917210 /nfs/dbraw/zinc/91/72/10/347917210.db2.gz KNSSCKRKDRBGOH-XJKSGUPXSA-N -1 3 298.386 3.035 20 30 CGEDHM CC(C)c1ccc(C(=O)N2CCC[C@](C)(C#N)C2)c([O-])c1 ZINC000612366399 348512969 /nfs/dbraw/zinc/51/29/69/348512969.db2.gz QOUIBHSOWHAZTD-QGZVFWFLSA-N -1 3 286.375 3.281 20 30 CGEDHM C=CCC1(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)CCCCC1 ZINC000615960976 348778671 /nfs/dbraw/zinc/77/86/71/348778671.db2.gz JHHWHDPWHCKOND-UHFFFAOYSA-N -1 3 299.374 3.277 20 30 CGEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc([O-])cc1Cl ZINC000616940744 348885173 /nfs/dbraw/zinc/88/51/73/348885173.db2.gz DLBRHDPLXDMIHW-CQSZACIVSA-N -1 3 283.755 3.213 20 30 CGEDHM C=CCC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1 ZINC000619115254 349206642 /nfs/dbraw/zinc/20/66/42/349206642.db2.gz ZEOQDPKUYAYYEN-UHFFFAOYSA-N -1 3 296.370 3.147 20 30 CGEDHM C=CCCC(C)(C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000620857280 349429764 /nfs/dbraw/zinc/42/97/64/349429764.db2.gz VXQQIAPETUEODY-UHFFFAOYSA-N -1 3 261.365 3.429 20 30 CGEDHM C=CC[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000628490951 350558360 /nfs/dbraw/zinc/55/83/60/350558360.db2.gz KYUINEYIDLAOKN-CQSZACIVSA-N -1 3 291.366 3.279 20 30 CGEDHM CCOc1ccc(C#N)cc1NC([O-])=NOC[C@@H](C)CC ZINC000291758029 198082490 /nfs/dbraw/zinc/08/24/90/198082490.db2.gz LCCQKALTNSFMLG-NSHDSACASA-N -1 3 291.351 3.056 20 30 CGEDHM CCOc1ccc(C#N)cc1NC(=O)[N-]OC[C@@H](C)CC ZINC000291758029 198082491 /nfs/dbraw/zinc/08/24/91/198082491.db2.gz LCCQKALTNSFMLG-NSHDSACASA-N -1 3 291.351 3.056 20 30 CGEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000041520035 369189474 /nfs/dbraw/zinc/18/94/74/369189474.db2.gz BFMPWLYWBUFQDH-ZDUSSCGKSA-N -1 3 286.356 3.340 20 30 CGEDHM COC(=O)C(C)(C)C/N=C/c1c([O-])ccc2ccccc21 ZINC000129359674 370983089 /nfs/dbraw/zinc/98/30/89/370983089.db2.gz HNFYKNYEQITKCD-VCHYOVAHSA-N -1 3 285.343 3.164 20 30 CGEDHM Cc1ccc([O-])c(CN[C@H](CCC#N)c2ccccc2)n1 ZINC000130387012 371030713 /nfs/dbraw/zinc/03/07/13/371030713.db2.gz XUUHZOTXOGGFKG-OAHLLOKOSA-N -1 3 281.359 3.230 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H](CC)c1nc(C)cs1 ZINC000293223730 372330318 /nfs/dbraw/zinc/33/03/18/372330318.db2.gz XRGNEAKCJKLYFM-SECBINFHSA-N -1 3 274.336 3.230 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)c1nc(C)cs1 ZINC000293777351 372479553 /nfs/dbraw/zinc/47/95/53/372479553.db2.gz SQSMFCQLRGHUKJ-UHFFFAOYSA-N -1 3 274.336 3.014 20 30 CGEDHM C=CCC(C)(C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000293833903 372495931 /nfs/dbraw/zinc/49/59/31/372495931.db2.gz SVMIEBTZASRJOI-UHFFFAOYSA-N -1 3 284.359 3.273 20 30 CGEDHM C=C(C)CN(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000165834550 372557804 /nfs/dbraw/zinc/55/78/04/372557804.db2.gz DJMQJPOPYXWGMV-UHFFFAOYSA-N -1 3 284.359 3.205 20 30 CGEDHM CCN(CC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436555629 372836432 /nfs/dbraw/zinc/83/64/32/372836432.db2.gz PERFQHPPUHAYAV-UHFFFAOYSA-N -1 3 296.326 3.170 20 30 CGEDHM CCS[C@@H]1CCCC[C@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000175900450 373536319 /nfs/dbraw/zinc/53/63/19/373536319.db2.gz SKDPFVIGQMTIFD-YMEUJLLRSA-N -1 3 295.404 3.287 20 30 CGEDHM CC1(C)CCCC[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000328657217 374375772 /nfs/dbraw/zinc/37/57/72/374375772.db2.gz OOUWJYQRKPSZFO-GFCCVEGCSA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCCC[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000328657217 374375776 /nfs/dbraw/zinc/37/57/76/374375776.db2.gz OOUWJYQRKPSZFO-GFCCVEGCSA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCCC[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328657217 374375779 /nfs/dbraw/zinc/37/57/79/374375779.db2.gz OOUWJYQRKPSZFO-GFCCVEGCSA-N -1 3 290.342 3.370 20 30 CGEDHM Cc1noc(C)c1[N-]C(=O)c1scnc1C1CC1 ZINC000328851124 374387500 /nfs/dbraw/zinc/38/75/00/374387500.db2.gz UXHGJRWFKBIORE-UHFFFAOYSA-N -1 3 263.322 3.262 20 30 CGEDHM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1csc(=O)[n-]1 ZINC000329943978 374444898 /nfs/dbraw/zinc/44/48/98/374444898.db2.gz DWEHVBLUDGEDCN-SNVBAGLBSA-N -1 3 296.392 3.035 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000330416297 374460469 /nfs/dbraw/zinc/46/04/69/374460469.db2.gz VFBURYFDIIKZCY-ZYHUDNBSSA-N -1 3 285.290 3.166 20 30 CGEDHM CC(C)[C@H](O)C(C)(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000330549474 374480009 /nfs/dbraw/zinc/48/00/09/374480009.db2.gz WTPKTRSBDBLCOH-ZDUSSCGKSA-N -1 3 299.798 3.393 20 30 CGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1 ZINC000189732093 375440404 /nfs/dbraw/zinc/44/04/04/375440404.db2.gz DOXOATZKDLPWIK-UHFFFAOYSA-N -1 3 298.776 3.074 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000493460369 375471523 /nfs/dbraw/zinc/47/15/23/375471523.db2.gz SIOGENNEGOZWAN-JARNTUPDSA-N -1 3 280.393 3.076 20 30 CGEDHM C=C[C@@](C)(CC)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000190966293 375555251 /nfs/dbraw/zinc/55/52/51/375555251.db2.gz SNLHRERELPWVIY-HNNXBMFYSA-N -1 3 288.326 3.152 20 30 CGEDHM Cn1cc(/C=C/c2ccc3cccc([O-])c3n2)cc1C#N ZINC000191237603 375600235 /nfs/dbraw/zinc/60/02/35/375600235.db2.gz PZPDHTXAUIAQPD-FNORWQNLSA-N -1 3 275.311 3.321 20 30 CGEDHM C=CCCO[C@H](C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000264581772 190120473 /nfs/dbraw/zinc/12/04/73/190120473.db2.gz GYPJUGLESWXYIO-SNVBAGLBSA-N -1 3 290.319 3.105 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cnccc2C#N)c1 ZINC000341224161 377452964 /nfs/dbraw/zinc/45/29/64/377452964.db2.gz MBEMIPZWGCEDJM-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2cc[nH]c2C(C)C)nc(C)n1 ZINC000574091182 377619113 /nfs/dbraw/zinc/61/91/13/377619113.db2.gz DEEVNJQOIIWCPP-CYBMUJFWSA-N -1 3 282.347 3.035 20 30 CGEDHM C[C@H](C/N=C/c1ccc(O)c([O-])c1O)Cc1cccs1 ZINC000266012985 378013614 /nfs/dbraw/zinc/01/36/14/378013614.db2.gz RPHNHODZADEALA-JSJZUPIVSA-N -1 3 291.372 3.163 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)[C@H](C)c2ccccc2)c1[O-] ZINC000267100903 378031642 /nfs/dbraw/zinc/03/16/42/378031642.db2.gz UCFWLARNFMGWLX-RLXLQZHTSA-N -1 3 298.386 3.199 20 30 CGEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(C)cc1[O-])OCC ZINC000270496590 378358730 /nfs/dbraw/zinc/35/87/30/378358730.db2.gz VNXJWDHWKIWMNX-CQSZACIVSA-N -1 3 263.337 3.010 20 30 CGEDHM C=CCCO[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274408423 378828116 /nfs/dbraw/zinc/82/81/16/378828116.db2.gz UTXBIKHWVJVYIK-STQMWFEESA-N -1 3 289.375 3.214 20 30 CGEDHM Cc1cc(OCc2cccc(C#N)c2)cc2occ([O-])c21 ZINC000642609549 380179531 /nfs/dbraw/zinc/17/95/31/380179531.db2.gz PLJRCKFJPOLKKM-UHFFFAOYSA-N -1 3 279.295 3.021 20 30 CGEDHM N#CC(=C([O-])c1ccc(-c2cnco2)cc1)c1ccccn1 ZINC000342846431 393010778 /nfs/dbraw/zinc/01/07/78/393010778.db2.gz MYHZLQSALHWETE-AWEZNQCLSA-N -1 3 289.294 3.227 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc2ccccc2cc1OC ZINC000417611952 393350832 /nfs/dbraw/zinc/35/08/32/393350832.db2.gz QKMLTWWGYJPXNY-INIZCTEOSA-N -1 3 299.370 3.357 20 30 CGEDHM Cc1ccncc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000676103567 543382347 /nfs/dbraw/zinc/38/23/47/543382347.db2.gz CPFBBWUXCFFOHF-AWEZNQCLSA-N -1 3 287.322 3.428 20 30 CGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313222407 260262286 /nfs/dbraw/zinc/26/22/86/260262286.db2.gz WUBZFBKKGZKHSA-UHFFFAOYSA-N -1 3 285.384 3.015 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCCc3sccc32)c1O ZINC000163333551 261312217 /nfs/dbraw/zinc/31/22/17/261312217.db2.gz DCFVVPCTUMBIMT-FNQVVVRFSA-N -1 3 289.356 3.361 20 30 CGEDHM CC(C)C[C@H]1C[C@@H](/N=C/c2ccccc2[O-])CCO1 ZINC000271955694 263000499 /nfs/dbraw/zinc/00/04/99/263000499.db2.gz SFBUEDJAXCOKEK-CNTTZWEVSA-N -1 3 261.365 3.405 20 30 CGEDHM Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1[O-] ZINC000272360588 263003422 /nfs/dbraw/zinc/00/34/22/263003422.db2.gz BXGHBFOULBLVPG-UHFFFAOYSA-N -1 3 274.364 3.103 20 30 CGEDHM CC1(C#N)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000272551256 263006578 /nfs/dbraw/zinc/00/65/78/263006578.db2.gz REPGIOMDMHYWIY-UHFFFAOYSA-N -1 3 298.386 3.037 20 30 CGEDHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2c(C)noc2C)s1 ZINC000331124240 264131685 /nfs/dbraw/zinc/13/16/85/264131685.db2.gz QMRDXGAKKOHVOG-VIFPVBQESA-N -1 3 295.364 3.400 20 30 CGEDHM Cc1noc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000331225701 264150035 /nfs/dbraw/zinc/15/00/35/264150035.db2.gz CJXXAFXBYQPMNL-SECBINFHSA-N -1 3 289.335 3.273 20 30 CGEDHM CC(=O)c1ccc(C(=O)NCC2CCCCC2)cc1[O-] ZINC000331237439 264175236 /nfs/dbraw/zinc/17/52/36/264175236.db2.gz NAWUTUYTIDKRFZ-UHFFFAOYSA-N -1 3 275.348 3.480 20 30 CGEDHM CCc1ccc(C(=O)N[C@H](CC)C2CCOCC2)c([O-])c1 ZINC000331239718 264176006 /nfs/dbraw/zinc/17/60/06/264176006.db2.gz OQYFXBYWQZAFFJ-OAHLLOKOSA-N -1 3 291.391 3.464 20 30 CGEDHM CCc1ccc(C(=O)N[C@@H](CC)C2CCOCC2)c([O-])c1 ZINC000331239716 264176167 /nfs/dbraw/zinc/17/61/67/264176167.db2.gz OQYFXBYWQZAFFJ-HNNXBMFYSA-N -1 3 291.391 3.464 20 30 CGEDHM Cc1cccc(C([O-])=C(C#N)c2nccc3ccccc32)n1 ZINC000361542151 266842886 /nfs/dbraw/zinc/84/28/86/266842886.db2.gz WUBDIVLCVDUUKA-OAHLLOKOSA-N -1 3 287.322 3.428 20 30 CGEDHM N#Cc1cccc(CC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000531150245 268277568 /nfs/dbraw/zinc/27/75/68/268277568.db2.gz MJJBUIHFQYLTPP-UHFFFAOYSA-N -1 3 286.718 3.098 20 30 CGEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277352152 328221289 /nfs/dbraw/zinc/22/12/89/328221289.db2.gz FGMNGOJLZBBCTP-BMIGLBTASA-N -1 3 292.766 3.248 20 30 CGEDHM CCC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000340940231 328402784 /nfs/dbraw/zinc/40/27/84/328402784.db2.gz BWIFXYHNLOKJPF-AWEZNQCLSA-N -1 3 278.311 3.164 20 30 CGEDHM C=CCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000102331283 328590616 /nfs/dbraw/zinc/59/06/16/328590616.db2.gz NCSDDBLPJCNFEW-UHFFFAOYSA-N -1 3 270.126 3.059 20 30 CGEDHM C=CCCCN(C)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000575323078 335093728 /nfs/dbraw/zinc/09/37/28/335093728.db2.gz CZBPKERZWOBSIT-LLVKDONJSA-N -1 3 251.326 3.245 20 30 CGEDHM CC(C)COc1ncccc1C([O-])=C(C#N)c1ccccn1 ZINC000093244527 330418372 /nfs/dbraw/zinc/41/83/72/330418372.db2.gz VNNFBOBYZOVNGS-CQSZACIVSA-N 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DGTAEWPFJPEKIN-UHFFFAOYSA-N -1 3 277.751 3.064 20 30 CGEDHM C=C(C)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000057476437 518625302 /nfs/dbraw/zinc/62/53/02/518625302.db2.gz JNXBLOYBKUNNIU-UHFFFAOYSA-N -1 3 298.371 3.189 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCCSC1 ZINC000749008241 572988208 /nfs/dbraw/zinc/98/82/08/572988208.db2.gz SRPIEAYIJHLRGU-NGPAHMQLSA-N -1 3 255.770 3.360 20 30 CGEDHM Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728232929 571797411 /nfs/dbraw/zinc/79/74/11/571797411.db2.gz YFHUUIZXMNBXAX-FNORWQNLSA-N -1 3 290.750 3.292 20 30 CGEDHM COc1cccc([O-])c1/C=N/Cc1ccc(C#N)cc1F ZINC000729819355 571933160 /nfs/dbraw/zinc/93/31/60/571933160.db2.gz IADQWRXLZOBQCW-VXLYETTFSA-N -1 3 284.290 3.031 20 30 CGEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1ccc([O-])cc1 ZINC000750876100 572331268 /nfs/dbraw/zinc/33/12/68/572331268.db2.gz UNUSHQDONFHNJB-UHFFFAOYSA-N -1 3 286.714 3.254 20 30 CGEDHM N#Cc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000737717562 572360202 /nfs/dbraw/zinc/36/02/02/572360202.db2.gz FYWKYODFSKVEGG-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000737717562 572360208 /nfs/dbraw/zinc/36/02/08/572360208.db2.gz FYWKYODFSKVEGG-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/Cc1cocn1 ZINC000730732506 572372260 /nfs/dbraw/zinc/37/22/60/572372260.db2.gz JYQRKKMQCACPBC-LZYBPNLTSA-N -1 3 252.273 3.153 20 30 CGEDHM COc1cccc([O-])c1/C=N\CCc1cccc(F)c1F ZINC000732714246 572478630 /nfs/dbraw/zinc/47/86/30/572478630.db2.gz USRZOBUPDOVHLR-GRSHGNNSSA-N -1 3 291.297 3.341 20 30 CGEDHM CC(C)[C@H](/N=C\c1ccccc1[O-])c1nnc2ccccn21 ZINC000726118492 572561830 /nfs/dbraw/zinc/56/18/30/572561830.db2.gz NKPULHZEFVPBLQ-GYXHFJGISA-N -1 3 294.358 3.251 20 30 CGEDHM COc1ccc(C=NNc2cc(F)c(F)cc2F)c([O-])c1 ZINC000734302814 572642000 /nfs/dbraw/zinc/64/20/00/572642000.db2.gz PXQIIYXQEYFWFM-UHFFFAOYSA-N -1 3 296.248 3.264 20 30 CGEDHM C=CCCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735412656 572717773 /nfs/dbraw/zinc/71/77/73/572717773.db2.gz HDAGAPSFZLKRPV-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=CCCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735412656 572717776 /nfs/dbraw/zinc/71/77/76/572717776.db2.gz HDAGAPSFZLKRPV-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM CCOc1ccc(/C=N\CCOC(C)(C)C)c([O-])c1 ZINC000746682109 572891357 /nfs/dbraw/zinc/89/13/57/572891357.db2.gz PZSITPGCMXXMKD-WJDWOHSUSA-N -1 3 265.353 3.025 20 30 CGEDHM CCC[C@@H](C)C(CC)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000748248927 572970428 /nfs/dbraw/zinc/97/04/28/572970428.db2.gz OGVVKYYOMKPKGZ-CYBMUJFWSA-N -1 3 296.436 3.308 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CC[C@H](C)c2ccccc2)c1[O-] ZINC000749748544 573029147 /nfs/dbraw/zinc/02/91/47/573029147.db2.gz HFCHTSJZPMCPII-MDBUFAAASA-N -1 3 298.386 3.201 20 30 CGEDHM C[C@H]1CCC[C@H](N(C)Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833607491 604604905 /nfs/dbraw/zinc/60/49/05/604604905.db2.gz GLMHYTFOSDKROV-JSGCOSHPSA-N -1 3 286.375 3.267 20 30 CGEDHM C#CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823839023 607936331 /nfs/dbraw/zinc/93/63/31/607936331.db2.gz YRHBWIJGFQCSCY-MRXNPFEDSA-N -1 3 289.342 3.043 20 30 CGEDHM C[C@H]1CCC[C@@H](CN=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824927549 608533468 /nfs/dbraw/zinc/53/34/68/608533468.db2.gz PNBYHBRFAZXJTH-NWDGAFQWSA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@H]1CCC[C@@H](CN=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824927549 608533469 /nfs/dbraw/zinc/53/34/69/608533469.db2.gz PNBYHBRFAZXJTH-NWDGAFQWSA-N -1 3 284.367 3.091 20 30 CGEDHM CSCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255642804 618771313 /nfs/dbraw/zinc/77/13/13/618771313.db2.gz VCHMUMBOUMDVDF-UHFFFAOYSA-N -1 3 289.356 3.417 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccn2ccnc2c1 ZINC000177694477 618835712 /nfs/dbraw/zinc/83/57/12/618835712.db2.gz BPSONNPBDRPGQG-LICLKQGHSA-N -1 3 285.734 3.312 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2ccc3c(c2)CCC3)c1O ZINC000255915776 618879873 /nfs/dbraw/zinc/87/98/73/618879873.db2.gz ZWPRZLVBHCNLLO-UHFFFAOYSA-N -1 3 269.300 3.043 20 30 CGEDHM C=CCCO[N-]C(=O)CCSc1cccc(Cl)c1 ZINC000856036188 619117444 /nfs/dbraw/zinc/11/74/44/619117444.db2.gz VELPHGZKRDPEMG-UHFFFAOYSA-N -1 3 285.796 3.446 20 30 CGEDHM CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000901342763 620858416 /nfs/dbraw/zinc/85/84/16/620858416.db2.gz PBEVAZVLAMJODI-IAGOWNOFSA-N -1 3 298.386 3.163 20 30 CGEDHM CC(C)C[C@@H](C)OCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372630 620864377 /nfs/dbraw/zinc/86/43/77/620864377.db2.gz JNPRTBCVPRKPFO-CYBMUJFWSA-N -1 3 297.370 3.385 20 30 CGEDHM CCc1ccccc1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371450 620866219 /nfs/dbraw/zinc/86/62/19/620866219.db2.gz CJLVGAKSWOYUIE-UHFFFAOYSA-N -1 3 287.334 3.349 20 30 CGEDHM O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N([O-])Cc1ccc(F)cc1 ZINC000901372781 620867552 /nfs/dbraw/zinc/86/75/52/620867552.db2.gz MCLYRWBVORILRV-OSAQELSMSA-N -1 3 275.323 3.146 20 30 CGEDHM CCn1cncc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000901454761 620893604 /nfs/dbraw/zinc/89/36/04/620893604.db2.gz WPIUJFPFIIPAEC-CAXXOGMASA-N -1 3 286.306 3.131 20 30 CGEDHM C[C@H](NCC1(C#N)CCCC1)c1cccc([O-])c1F ZINC000903109289 621582490 /nfs/dbraw/zinc/58/24/90/621582490.db2.gz MMXAHZGUJFJXHP-NSHDSACASA-N -1 3 262.328 3.266 20 30 CGEDHM N#Cc1cccc(C2(NCc3ccc(C(=O)[O-])s3)CC2)c1 ZINC000903681162 621788240 /nfs/dbraw/zinc/78/82/40/621788240.db2.gz SXWZHKWSNCBBOV-UHFFFAOYSA-N -1 3 298.367 3.097 20 30 CGEDHM CCC1=C(C(=O)N([O-])Cc2ccc(F)cc2)CCCO1 ZINC000904172808 621884498 /nfs/dbraw/zinc/88/44/98/621884498.db2.gz CMJQPGYZJIMATA-UHFFFAOYSA-N -1 3 279.311 3.018 20 30 CGEDHM O=C(N([O-])Cc1ccccc1Cl)[C@]12CCC[C@H]1OCC2 ZINC000904192360 621887417 /nfs/dbraw/zinc/88/74/17/621887417.db2.gz JIISFQLUWPUQDW-HIFRSBDPSA-N -1 3 295.766 3.017 20 30 CGEDHM CO[C@@H](C)CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904197598 621887970 /nfs/dbraw/zinc/88/79/70/621887970.db2.gz IJONYRIANXTZCV-AWEZNQCLSA-N -1 3 279.380 3.042 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000904204405 621889667 /nfs/dbraw/zinc/88/96/67/621889667.db2.gz KWLSZBMQULTVIV-NSHDSACASA-N -1 3 298.408 3.406 20 30 CGEDHM C=CCO[N-]C(=O)CCCc1ccccc1Br ZINC000837048562 624011805 /nfs/dbraw/zinc/01/18/05/624011805.db2.gz UWZRHOSLGJBNQH-UHFFFAOYSA-N -1 3 298.180 3.006 20 30 CGEDHM N#Cc1ccc(NN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000915963133 624091367 /nfs/dbraw/zinc/09/13/67/624091367.db2.gz ZRLFKURZVQMZDX-UHFFFAOYSA-N -1 3 271.707 3.363 20 30 CGEDHM CC(=NNc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000916276203 624135873 /nfs/dbraw/zinc/13/58/73/624135873.db2.gz PMXDHBSOAPVJCR-UHFFFAOYSA-N -1 3 261.712 3.277 20 30 CGEDHM Cc1ccc([O-])c(C(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000182152020 624945420 /nfs/dbraw/zinc/94/54/20/624945420.db2.gz NVSKWZNFAOILLQ-GFCCVEGCSA-N -1 3 296.326 3.244 20 30 CGEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000761787533 627061003 /nfs/dbraw/zinc/06/10/03/627061003.db2.gz YRTKIGNGNNKRJE-MQHRVFIMSA-N -1 3 267.756 3.280 20 30 CGEDHM CC[C@@H]1COCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125306 629480571 /nfs/dbraw/zinc/48/05/71/629480571.db2.gz SOICSVNJEFSONA-SECBINFHSA-N -1 3 288.376 3.117 20 30 CGEDHM O=C1c2cccc(O)c2C/C1=C\c1c(F)ccc([O-])c1F ZINC000794939200 629603371 /nfs/dbraw/zinc/60/33/71/629603371.db2.gz PTWGLRRSNBACCE-BQYQJAHWSA-N -1 3 288.249 3.198 20 30 CGEDHM C=CCO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000837046516 634847248 /nfs/dbraw/zinc/84/72/48/634847248.db2.gz LYLDCWCCKKRZNR-UHFFFAOYSA-N -1 3 289.375 3.174 20 30 CGEDHM C=CCO[N-]C(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000837049766 634848423 /nfs/dbraw/zinc/84/84/23/634848423.db2.gz QNMSWJMQPAOJKA-HNNXBMFYSA-N -1 3 291.391 3.032 20 30 CGEDHM C=CCO[N-]C(=O)C1=C(c2ccccc2)CCCC1 ZINC000837049393 634848448 /nfs/dbraw/zinc/84/84/48/634848448.db2.gz HKAMWILPVGNPMI-UHFFFAOYSA-N -1 3 257.333 3.248 20 30 CGEDHM CC(C)CN(CCC#N)Cc1c(F)ccc([O-])c1F ZINC000816481325 631989849 /nfs/dbraw/zinc/98/98/49/631989849.db2.gz QUNDBKXNOJVYLI-UHFFFAOYSA-N -1 3 268.307 3.042 20 30 CGEDHM CC[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000817706671 632202710 /nfs/dbraw/zinc/20/27/10/632202710.db2.gz DWQWZYQYLWIRDX-SUNVMROUSA-N -1 3 267.756 3.422 20 30 CGEDHM CCc1noc(CC)c1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866282187 633065061 /nfs/dbraw/zinc/06/50/61/633065061.db2.gz ZKGHGLUEHMYMLG-NSHDSACASA-N -1 3 299.374 3.227 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000844488157 635916892 /nfs/dbraw/zinc/91/68/92/635916892.db2.gz PZDQUXPLWRNWBA-MRVPVSSYSA-N -1 3 269.370 3.068 20 30 CGEDHM [O-]c1ccc(F)c(C=NNC[C@@H]2CCCC2(F)F)c1F ZINC000872405366 634133671 /nfs/dbraw/zinc/13/36/71/634133671.db2.gz KLXAXFZFJSYZKM-QMMMGPOBSA-N -1 3 290.260 3.029 20 30 CGEDHM C#CC[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000844006179 635805740 /nfs/dbraw/zinc/80/57/40/635805740.db2.gz VFVZVBCCLZZSRI-CQSZACIVSA-N -1 3 293.366 3.421 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1ccc(C)c(Cl)c1 ZINC000846538819 636195236 /nfs/dbraw/zinc/19/52/36/636195236.db2.gz ZKVIUHFLDSTNRZ-UHFFFAOYSA-N -1 3 267.756 3.205 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCCOc1cccc(C)c1 ZINC000846547434 636199407 /nfs/dbraw/zinc/19/94/07/636199407.db2.gz AHDRKJYQWYFXEN-CQSZACIVSA-N -1 3 277.364 3.166 20 30 CGEDHM C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000846756807 636231422 /nfs/dbraw/zinc/23/14/22/636231422.db2.gz MEFTXUVIKDCOOV-VJCPFXPRSA-N -1 3 297.782 3.442 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1C=CCC1 ZINC000849169433 636761407 /nfs/dbraw/zinc/76/14/07/636761407.db2.gz CLSXQIHPRDTKRI-GYBQTFJISA-N -1 3 266.138 3.292 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C1CCC2(COC2)CC1 ZINC000887269845 637786363 /nfs/dbraw/zinc/78/63/63/637786363.db2.gz CGPZWSPJRAQKEP-CAOOACKPSA-N -1 3 279.767 3.424 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@@H]1CCCc2ccccc21 ZINC000856032706 638287896 /nfs/dbraw/zinc/28/78/96/638287896.db2.gz UAYONKWOUYMVOD-AWEZNQCLSA-N -1 3 259.349 3.121 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1ccc(OCCC)cc1 ZINC000856032826 638288439 /nfs/dbraw/zinc/28/84/39/638288439.db2.gz RYYQUJULORVSHF-UHFFFAOYSA-N -1 3 277.364 3.032 20 30 CGEDHM CCN(Cc1cc(Cl)ccc1[O-])C[C@H](C)C#N ZINC000091983102 640727836 /nfs/dbraw/zinc/72/78/36/640727836.db2.gz NRKXMVCHANXNMM-SNVBAGLBSA-N -1 3 252.745 3.027 20 30 CGEDHM C=CCCC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC001254022179 806330393 /nfs/dbraw/zinc/33/03/93/806330393.db2.gz QAJMEURCHVPZQQ-UHFFFAOYSA-N -1 3 294.370 3.323 20 30 CGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cccs2)c1 ZINC000127474334 799013780 /nfs/dbraw/zinc/01/37/80/799013780.db2.gz CKLPIYLDZUNQIN-GFCCVEGCSA-N -1 3 284.340 3.018 20 30 CGEDHM COC1(C/N=C\c2cc(Br)ccc2[O-])CCC1 ZINC000588409864 799689821 /nfs/dbraw/zinc/68/98/21/799689821.db2.gz DXJVCIJRDNDIAJ-NVNXTCNLSA-N -1 3 298.180 3.143 20 30 CGEDHM C=CCOc1ccc(-c2cc(C)ccc2[O-])nc1C#N ZINC001244402662 803351355 /nfs/dbraw/zinc/35/13/55/803351355.db2.gz GEWZFWJSPQEOPN-UHFFFAOYSA-N -1 3 266.300 3.199 20 30 CGEDHM COC(=O)c1cc(-c2ccc([O-])cc2Cl)ccc1C#N ZINC001245082263 803636762 /nfs/dbraw/zinc/63/67/62/803636762.db2.gz RXQKYUCZHVRRSB-UHFFFAOYSA-N -1 3 287.702 3.371 20 30 CGEDHM CCCCCCCCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001137177177 803693285 /nfs/dbraw/zinc/69/32/85/803693285.db2.gz GLUUMWQLCNDLST-UHFFFAOYSA-N -1 3 295.383 3.275 20 30 CGEDHM CC(C)(C)n1ncc(C#N)c1Nc1cc(F)cc(F)c1[O-] ZINC001212477438 815034392 /nfs/dbraw/zinc/03/43/92/815034392.db2.gz DYDHLFNOSPEBPH-UHFFFAOYSA-N -1 3 292.289 3.237 20 30 CGEDHM C=CCCNC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001247649544 804792446 /nfs/dbraw/zinc/79/24/46/804792446.db2.gz VBTXHCVNYLTVQH-UHFFFAOYSA-N -1 3 290.310 3.274 20 30 CGEDHM C=CCCCNC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001247755710 804818518 /nfs/dbraw/zinc/81/85/18/804818518.db2.gz YOLOOVNQTHBTIF-UHFFFAOYSA-N -1 3 270.785 3.298 20 30 CGEDHM CC(=O)OCc1cc(Nc2cc(C#N)ccc2[O-])ccc1C ZINC001248583129 804957071 /nfs/dbraw/zinc/95/70/71/804957071.db2.gz ORQRADALUODAFC-UHFFFAOYSA-N -1 3 296.326 3.379 20 30 CGEDHM Cc1ccc([C@@H](C)C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001144455883 804991489 /nfs/dbraw/zinc/99/14/89/804991489.db2.gz VSSZGXXIAUZIDX-GFCCVEGCSA-N -1 3 280.327 3.315 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC001144582058 805011680 /nfs/dbraw/zinc/01/16/80/805011680.db2.gz CEHJBETXDIMEFJ-LBPRGKRZSA-N -1 3 255.317 3.005 20 30 CGEDHM N#Cc1c([N-]C(=O)c2cscn2)sc2ccccc12 ZINC001147360536 805123114 /nfs/dbraw/zinc/12/31/14/805123114.db2.gz IPIRUQJVHZCJCJ-UHFFFAOYSA-N -1 3 285.353 3.482 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)c2nc3ccc(C)cc3s2)o1 ZINC001147553724 805137239 /nfs/dbraw/zinc/13/72/39/805137239.db2.gz OCIZKEKIEXTKCE-UHFFFAOYSA-N -1 3 298.327 3.025 20 30 CGEDHM C=C1CC=C(F)C=C1NC(=O)c1ccc(C)cc1[O-] ZINC001148506903 805191591 /nfs/dbraw/zinc/19/15/91/805191591.db2.gz FAYXKUCOIGEUHS-UHFFFAOYSA-N -1 3 259.280 3.128 20 30 CGEDHM C#Cc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1F ZINC001148505791 805191855 /nfs/dbraw/zinc/19/18/55/805191855.db2.gz HCBCHCJGYWTXEV-UHFFFAOYSA-N -1 3 269.275 3.073 20 30 CGEDHM N#Cc1cccc(C#N)c1Nc1c([O-])cccc1F ZINC001249994869 805351802 /nfs/dbraw/zinc/35/18/02/805351802.db2.gz UKHAHABNYYNFJY-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM CCOC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1C ZINC001250084779 805406512 /nfs/dbraw/zinc/40/65/12/805406512.db2.gz GFHZDDXHUZRNQT-UHFFFAOYSA-N -1 3 296.326 3.493 20 30 CGEDHM N#Cc1cccc(C([O-])=Cc2c(F)cccc2F)c1 ZINC001250285573 805542640 /nfs/dbraw/zinc/54/26/40/805542640.db2.gz FEPZOQNDKHGHNK-UHFFFAOYSA-N -1 3 257.239 3.262 20 30 CGEDHM N#CCOc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001212609129 815084275 /nfs/dbraw/zinc/08/42/75/815084275.db2.gz XDPXPOVPWHFGOX-UHFFFAOYSA-N -1 3 276.242 3.316 20 30 CGEDHM CCCCCCC[C@@H](CC)Nc1cnc(C)[n-]c1=O ZINC001172355325 808250855 /nfs/dbraw/zinc/25/08/55/808250855.db2.gz AXMDICUNWQKMAB-KGLIPLIRSA-N -1 3 265.401 3.113 20 30 CGEDHM N#Cc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)ccc1Cl ZINC001174401836 808998258 /nfs/dbraw/zinc/99/82/58/808998258.db2.gz VPXSLKIKTJUIHY-UHFFFAOYSA-N -1 3 286.722 3.328 20 30 CGEDHM Cc1ncsc1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293487 810189155 /nfs/dbraw/zinc/18/91/55/810189155.db2.gz VKWGQCPDDGLDJT-UHFFFAOYSA-N -1 3 290.388 3.306 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc(C(C)C)on1 ZINC001184305773 810190048 /nfs/dbraw/zinc/19/00/48/810190048.db2.gz QKGHGVVECQUGKZ-UHFFFAOYSA-N -1 3 254.330 3.210 20 30 CGEDHM CCCCN([O-])C(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001184314943 810190528 /nfs/dbraw/zinc/19/05/28/810190528.db2.gz OHAGUCJJWZTZTK-INIZCTEOSA-N -1 3 297.395 3.073 20 30 CGEDHM C[C@H]1CCC[C@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC001184347717 810195085 /nfs/dbraw/zinc/19/50/85/810195085.db2.gz BBKRORRJMWFQAF-AAEUAGOBSA-N -1 3 265.328 3.370 20 30 CGEDHM CC(C)(C)c1ccccc1NC(=O)[N-]c1oncc1C#N ZINC001189563632 810578403 /nfs/dbraw/zinc/57/84/03/810578403.db2.gz JJEFQSJJWHWTBM-UHFFFAOYSA-N -1 3 284.319 3.488 20 30 CGEDHM CCc1cccc(CC)c1NC(=O)[N-]c1oncc1C#N ZINC001189745557 810588669 /nfs/dbraw/zinc/58/86/69/810588669.db2.gz OWZVARLTPBVQFU-UHFFFAOYSA-N -1 3 284.319 3.315 20 30 CGEDHM CCCCN(CC#N)C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192322722 810787800 /nfs/dbraw/zinc/78/78/00/810787800.db2.gz LCXLMQGRBSDQMS-UHFFFAOYSA-N -1 3 288.391 3.456 20 30 CGEDHM CN(Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001204721753 812717645 /nfs/dbraw/zinc/71/76/45/812717645.db2.gz PCEXKLUUXZTVED-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM COCCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001204970441 812802113 /nfs/dbraw/zinc/80/21/13/812802113.db2.gz HPDSYQJUBJJMHZ-FXBHHXAOSA-N -1 3 285.343 3.269 20 30 CGEDHM [O-]/N=C/c1cccc(-c2cncc(N3CCCC3)c2)c1 ZINC001242621128 823066639 /nfs/dbraw/zinc/06/66/39/823066639.db2.gz JVVFHUGGLZNYDE-VCHYOVAHSA-N -1 3 267.332 3.157 20 30 CGEDHM N#Cc1cc(-c2cc([O-])ccc2F)ncc1C(F)(F)F ZINC001242761887 823124419 /nfs/dbraw/zinc/12/44/19/823124419.db2.gz YHGHWVOKWPOVAN-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM COc1cnc(-c2cc([O-])cc(C(F)(F)F)c2)c(C#N)c1 ZINC001242780631 823131175 /nfs/dbraw/zinc/13/11/75/823131175.db2.gz UTQIOQZOVXLRAV-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM CSc1ncc(C)cc1Nc1cc(C#N)ccc1[O-] ZINC001216243047 815753279 /nfs/dbraw/zinc/75/32/79/815753279.db2.gz XVHYYQGICBEGBI-UHFFFAOYSA-N -1 3 271.345 3.433 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225468735 817062473 /nfs/dbraw/zinc/06/24/73/817062473.db2.gz SLSOPNNTJVNJQK-LBPRGKRZSA-N -1 3 260.337 3.481 20 30 CGEDHM COc1cccc([C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c1 ZINC001225468638 817062614 /nfs/dbraw/zinc/06/26/14/817062614.db2.gz BYOINZLKDKQTNJ-LLVKDONJSA-N -1 3 284.315 3.116 20 30 CGEDHM Cc1ccc(C)c2c1CCC[C@@H]2Oc1nccc(/C=N/[O-])n1 ZINC001226254863 817312092 /nfs/dbraw/zinc/31/20/92/817312092.db2.gz DEGONGIOPOAWDF-RPJLVFAOSA-N -1 3 297.358 3.358 20 30 CGEDHM C#C[C@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccccc1 ZINC001226482542 817371240 /nfs/dbraw/zinc/37/12/40/817371240.db2.gz OZKVIZWFIYWCQZ-HNNXBMFYSA-N -1 3 282.295 3.054 20 30 CGEDHM C=CCC(CC=C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226596022 817409064 /nfs/dbraw/zinc/40/90/64/817409064.db2.gz HZGHCJVRRDXTAW-UHFFFAOYSA-N -1 3 272.300 3.398 20 30 CGEDHM CC[C@@H](C#Cc1ccccc1)Oc1cc(C)nc(=S)[n-]1 ZINC001226802464 817469617 /nfs/dbraw/zinc/46/96/17/817469617.db2.gz IKMBHFXGTPGIDL-AWEZNQCLSA-N -1 3 284.384 3.283 20 30 CGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccnc(=S)[n-]2)O1 ZINC001226938597 817509810 /nfs/dbraw/zinc/50/98/10/817509810.db2.gz CBXJUQFONPVXPX-HZMBPMFUSA-N -1 3 280.393 3.046 20 30 CGEDHM C=C[C@]1(C)CC[C@@H](Oc2ccnc(=S)[n-]2)C(C)(C)O1 ZINC001226941020 817511081 /nfs/dbraw/zinc/51/10/81/817511081.db2.gz WRINZDREEXHYBM-QMTHXVAHSA-N -1 3 280.393 3.046 20 30 CGEDHM C=C[C@H](CCCCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693014 817695659 /nfs/dbraw/zinc/69/56/59/817695659.db2.gz ITHBLPHYVBUEOS-SNVBAGLBSA-N -1 3 290.323 3.380 20 30 CGEDHM C#C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)[C@H](CC)CCCC ZINC001228698191 817977621 /nfs/dbraw/zinc/97/76/21/817977621.db2.gz OQFTWLUWBNEAJQ-UKRRQHHQSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)[C@H](CC)CCCC ZINC001228698191 817977626 /nfs/dbraw/zinc/97/76/26/817977626.db2.gz OQFTWLUWBNEAJQ-UKRRQHHQSA-N -1 3 298.390 3.464 20 30 CGEDHM C#CC[C@@H](CC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233507244 818630344 /nfs/dbraw/zinc/63/03/44/818630344.db2.gz WIRUZKHNDCLMSB-MRVPVSSYSA-N -1 3 293.710 3.305 20 30 CGEDHM N#CC=C([O-])c1ccccc1OC1Cc2ccccc2C1 ZINC001233523155 818632160 /nfs/dbraw/zinc/63/21/60/818632160.db2.gz VGPGASBUFICBKO-UHFFFAOYSA-N -1 3 277.323 3.329 20 30 CGEDHM N#C[C@@H](Oc1ccc2occ([O-])c2c1)c1ccccc1F ZINC001233681130 818678368 /nfs/dbraw/zinc/67/83/68/818678368.db2.gz SJMXEZLFPHYUOB-MRXNPFEDSA-N -1 3 283.258 3.044 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)CC(C)C ZINC001233799125 818707499 /nfs/dbraw/zinc/70/74/99/818707499.db2.gz GCBOHMIUPOSPNY-BTAWCLGRSA-N -1 3 251.326 3.317 20 30 CGEDHM N#Cc1cc([O-])cc(OC2CCC(F)(F)CC2)c1 ZINC001234139627 818788644 /nfs/dbraw/zinc/78/86/44/818788644.db2.gz INABVUKJDITRJI-UHFFFAOYSA-N -1 3 253.248 3.221 20 30 CGEDHM COc1ccc([C@@H](C)Oc2cc([O-])cc(C#N)c2)cc1 ZINC001234144629 818790154 /nfs/dbraw/zinc/79/01/54/818790154.db2.gz ROSDDIQFUUKNLZ-LLVKDONJSA-N -1 3 269.300 3.412 20 30 CGEDHM COc1ccccc1OC[C@@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234143574 818790681 /nfs/dbraw/zinc/79/06/81/818790681.db2.gz DXOBBQWCEMLBEO-GFCCVEGCSA-N -1 3 299.326 3.119 20 30 CGEDHM COc1ccc([C@H](C)Oc2cc([O-])cc(C#N)c2)cc1OC ZINC001234144376 818790857 /nfs/dbraw/zinc/79/08/57/818790857.db2.gz MVFMZDAFXBVALD-NSHDSACASA-N -1 3 299.326 3.421 20 30 CGEDHM N#C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccc(F)c1 ZINC001234453192 818859170 /nfs/dbraw/zinc/85/91/70/818859170.db2.gz UQENVTJGSNWFNK-ZDUSSCGKSA-N -1 3 283.262 3.051 20 30 CGEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1cccs1 ZINC001234511597 818869977 /nfs/dbraw/zinc/86/99/77/818869977.db2.gz RQNHCCFPQYSZQU-VIFPVBQESA-N -1 3 297.339 3.409 20 30 CGEDHM C[C@H]1CCC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234511800 818870049 /nfs/dbraw/zinc/87/00/49/818870049.db2.gz VXJPQZOEZKAAPT-JQWIXIFHSA-N -1 3 283.331 3.165 20 30 CGEDHM CC1(C)[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4cccc(C#N)c43)C[C@@H]21 ZINC001234512821 818870101 /nfs/dbraw/zinc/87/01/01/818870101.db2.gz FIOWZUXCFJPXLE-CNDDSTCGSA-N -1 3 295.342 3.020 20 30 CGEDHM N#Cc1cccc2nc(=O)[n-]c(OC3CCCCCC3)c12 ZINC001234511393 818870702 /nfs/dbraw/zinc/87/07/02/818870702.db2.gz OVVFJFROHVQPGW-UHFFFAOYSA-N -1 3 283.331 3.309 20 30 CGEDHM C[C@@H](C#C[Si](C)(C)C)Oc1nc2ccsc2[n-]1 ZINC001234846875 818932164 /nfs/dbraw/zinc/93/21/64/818932164.db2.gz DKMUIDGNVPUWHQ-VIFPVBQESA-N -1 3 264.426 3.273 20 30 CGEDHM C=CCC(CC=C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234907411 818949438 /nfs/dbraw/zinc/94/94/38/818949438.db2.gz XQTALDDPJLPRQX-UHFFFAOYSA-N -1 3 278.377 3.120 20 30 CGEDHM CCOCc1cncc(-c2cccc(/C=N/[O-])c2)c1 ZINC001238930973 820159566 /nfs/dbraw/zinc/15/95/66/820159566.db2.gz ZNEQFXAPVQTVRX-RQZCQDPDSA-N -1 3 256.305 3.093 20 30 CGEDHM COc1nc(C)c(-c2ccc([O-])c(F)c2)c(C)c1C#N ZINC001240785785 821324365 /nfs/dbraw/zinc/32/43/65/821324365.db2.gz OAKKBWQPJMZSQP-UHFFFAOYSA-N -1 3 272.279 3.090 20 30 CGEDHM N#CCOc1cc(F)ccc1-c1cc([O-])cc(F)c1 ZINC001241266616 821685482 /nfs/dbraw/zinc/68/54/82/821685482.db2.gz NMIDQCCKTGJORB-UHFFFAOYSA-N -1 3 261.227 3.240 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccc(OC3CCOCC3)nc2)c1 ZINC001241699519 822080291 /nfs/dbraw/zinc/08/02/91/822080291.db2.gz STSNVVARHDVTPP-YBFXNURJSA-N -1 3 298.342 3.115 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1cccc(F)n1 ZINC001342559115 936470059 /nfs/dbraw/zinc/47/00/59/936470059.db2.gz SJZOTSXBNOZIIO-WSROAFLRSA-N -1 3 284.265 3.249 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(C)c(C)s1 ZINC001347338780 936880197 /nfs/dbraw/zinc/88/01/97/936880197.db2.gz VLNIDWDEUZLMJU-LLVKDONJSA-N -1 3 273.361 3.071 20 30 CGEDHM C=CC[C@H](C=C)Oc1ncc(Br)cc1[O-] ZINC001228954178 932058959 /nfs/dbraw/zinc/05/89/59/932058959.db2.gz AUHBHTCBVUYLMT-VIFPVBQESA-N -1 3 270.126 3.059 20 30 CGEDHM C=C[C@H](Oc1nc(C)[n-]c(=O)c1C)c1ccccc1 ZINC001229689979 932469569 /nfs/dbraw/zinc/46/95/69/932469569.db2.gz NWOVFLGMCQOVLM-ZDUSSCGKSA-N -1 3 256.305 3.105 20 30 CGEDHM C=C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229951051 932508432 /nfs/dbraw/zinc/50/84/32/932508432.db2.gz PANUYUJAVINWKM-CQSZACIVSA-N -1 3 278.315 3.173 20 30 CGEDHM C=C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229951051 932508439 /nfs/dbraw/zinc/50/84/39/932508439.db2.gz PANUYUJAVINWKM-CQSZACIVSA-N -1 3 278.315 3.173 20 30 CGEDHM C=C[C@H](CCCCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229955717 932509559 /nfs/dbraw/zinc/50/95/59/932509559.db2.gz YLLDCRYSPOBDQL-GFCCVEGCSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@H](CCCCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229955717 932509564 /nfs/dbraw/zinc/50/95/64/932509564.db2.gz YLLDCRYSPOBDQL-GFCCVEGCSA-N -1 3 272.352 3.380 20 30 CGEDHM CN(Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001308614013 933143833 /nfs/dbraw/zinc/14/38/33/933143833.db2.gz MHELJQQZXANGHJ-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM Cc1ccc(C(=O)N([O-])Cc2ccccc2Cl)o1 ZINC001472618793 937777920 /nfs/dbraw/zinc/77/79/20/937777920.db2.gz ILJRDETUONNMHN-UHFFFAOYSA-N -1 3 265.696 3.273 20 30 CGEDHM CCCCN([O-])C(=O)C(C)(C)c1cccc(F)c1 ZINC001472620561 937778695 /nfs/dbraw/zinc/77/86/95/937778695.db2.gz HIICFEBVEFTRFL-UHFFFAOYSA-N -1 3 253.317 3.121 20 30 CGEDHM N#Cc1ccc2c(c1)CN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001557206721 938208418 /nfs/dbraw/zinc/20/84/18/938208418.db2.gz KSKXBNMQZATDPN-UHFFFAOYSA-N -1 3 298.729 3.073 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)n[n-]2)o1 ZINC000839049414 958826567 /nfs/dbraw/zinc/82/65/67/958826567.db2.gz RIDCLPMUDHSWSO-NWDGAFQWSA-N -1 3 299.330 3.217 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)[n-]n2)o1 ZINC000839049414 958826584 /nfs/dbraw/zinc/82/65/84/958826584.db2.gz RIDCLPMUDHSWSO-NWDGAFQWSA-N -1 3 299.330 3.217 20 30 CGEDHM CC(C)CC(C)(C)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001574132060 962294889 /nfs/dbraw/zinc/29/48/89/962294889.db2.gz PVHDBHGNMARQCY-UHFFFAOYSA-N -1 3 298.394 3.223 20 30 CGEDHM CC(C)CC(C)(C)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001574132060 962294897 /nfs/dbraw/zinc/29/48/97/962294897.db2.gz PVHDBHGNMARQCY-UHFFFAOYSA-N -1 3 298.394 3.223 20 30 CGEDHM CC[C@H]1CCC[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001577150503 962505026 /nfs/dbraw/zinc/50/50/26/962505026.db2.gz GEZQYLVKJILVID-WCQYABFASA-N -1 3 296.378 3.119 20 30 CGEDHM CC[C@H]1CCC[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001577150503 962505036 /nfs/dbraw/zinc/50/50/36/962505036.db2.gz GEZQYLVKJILVID-WCQYABFASA-N -1 3 296.378 3.119 20 30 CGEDHM C#CCCCS[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588345750 963273170 /nfs/dbraw/zinc/27/31/70/963273170.db2.gz QAZHOODRXIMYLY-NSHDSACASA-N -1 3 272.377 3.074 20 30 CGEDHM C#CCCCS[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588345750 963273182 /nfs/dbraw/zinc/27/31/82/963273182.db2.gz QAZHOODRXIMYLY-NSHDSACASA-N -1 3 272.377 3.074 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588558751 963286912 /nfs/dbraw/zinc/28/69/12/963286912.db2.gz CILRBGJLVIIHDD-TZMCWYRMSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588558751 963286920 /nfs/dbraw/zinc/28/69/20/963286920.db2.gz CILRBGJLVIIHDD-TZMCWYRMSA-N -1 3 298.394 3.117 20 30 CGEDHM C[C@H](NCc1cccc(C(=O)[O-])c1C#N)[C@@]12C[C@@H]1CCCC2 ZINC001593304795 994753474 /nfs/dbraw/zinc/75/34/74/994753474.db2.gz SPECAPLFQFIYDJ-XAYKYTGQSA-N -1 3 298.386 3.315 20 30 CGEDHM CSCCCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596197119 347397203 /nfs/dbraw/zinc/39/72/03/347397203.db2.gz VTUBKEXSAPVIMZ-UHFFFAOYSA-N -1 3 275.830 3.035 20 30 CGEDHM N#CC1(CC(=O)Nc2cccc([O-])c2F)CCCCC1 ZINC000597452747 347576108 /nfs/dbraw/zinc/57/61/08/347576108.db2.gz IZWSSXBGFZRWDK-UHFFFAOYSA-N -1 3 276.311 3.334 20 30 CGEDHM CC(C)c1ccc(C(=O)N([C@H](C)C#N)C2CC2)c([O-])c1 ZINC000598133712 347631720 /nfs/dbraw/zinc/63/17/20/347631720.db2.gz RUWSWDNDUGFBLJ-LLVKDONJSA-N -1 3 272.348 3.032 20 30 CGEDHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)cc(C#N)c1 ZINC000601979559 347931244 /nfs/dbraw/zinc/93/12/44/347931244.db2.gz PGTCPAJZKNCMIG-CYBMUJFWSA-N -1 3 284.356 3.018 20 30 CGEDHM CCN(Cc1cc([O-])cc(C(F)(F)F)c1)[C@H](C)C#N ZINC000602903226 348041821 /nfs/dbraw/zinc/04/18/21/348041821.db2.gz NFBVKDXBCJZFQV-SECBINFHSA-N -1 3 272.270 3.145 20 30 CGEDHM CCN(Cc1cc([O-])cc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000602903227 348041851 /nfs/dbraw/zinc/04/18/51/348041851.db2.gz NFBVKDXBCJZFQV-VIFPVBQESA-N -1 3 272.270 3.145 20 30 CGEDHM N#Cc1cnccc1[N-]C(=O)c1cc2cccc(F)c2o1 ZINC000610227852 348367609 /nfs/dbraw/zinc/36/76/09/348367609.db2.gz OYVUWDWFVNXFQC-UHFFFAOYSA-N -1 3 281.246 3.091 20 30 CGEDHM CC(C)c1ccc(C(=O)N(CCC#N)C(C)C)c([O-])c1 ZINC000611279834 348435130 /nfs/dbraw/zinc/43/51/30/348435130.db2.gz JAZWNZHULDOYQX-UHFFFAOYSA-N -1 3 274.364 3.280 20 30 CGEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000611279967 348435189 /nfs/dbraw/zinc/43/51/89/348435189.db2.gz LPIOWUHNHYXDRA-ZDUSSCGKSA-N -1 3 274.364 3.184 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000617041801 348905770 /nfs/dbraw/zinc/90/57/70/348905770.db2.gz JCICIVZHYCPVBK-OCCSQVGLSA-N -1 3 289.375 3.266 20 30 CGEDHM C=CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H](C)COC ZINC000617580657 348977253 /nfs/dbraw/zinc/97/72/53/348977253.db2.gz BLNYROVNNQZCIA-CYBMUJFWSA-N -1 3 291.391 3.179 20 30 CGEDHM C=CC[C@@H]1CCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000628494315 350560262 /nfs/dbraw/zinc/56/02/62/350560262.db2.gz KZOLRDZTJPLDIX-LLVKDONJSA-N -1 3 277.389 3.152 20 30 CGEDHM C=CC[C@H]1CCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000628494316 350560295 /nfs/dbraw/zinc/56/02/95/350560295.db2.gz KZOLRDZTJPLDIX-NSHDSACASA-N -1 3 277.389 3.152 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1ccsc1C(F)(F)F ZINC000630458810 350843057 /nfs/dbraw/zinc/84/30/57/350843057.db2.gz GATMEMOJAJPOTN-SECBINFHSA-N -1 3 293.310 3.276 20 30 CGEDHM C[C@H]([N-]c1nnc(C(F)F)o1)c1ccc(C#N)cc1 ZINC000292444366 198292086 /nfs/dbraw/zinc/29/20/86/198292086.db2.gz IAXJHIDWQCXABR-ZETCQYMHSA-N -1 3 264.235 3.052 20 30 CGEDHM N#Cc1ccc(NC([O-])=NOC2CCCC2)cc1Cl ZINC000271861410 191373773 /nfs/dbraw/zinc/37/37/73/191373773.db2.gz YXWQUMIOENPXET-UHFFFAOYSA-N -1 3 279.727 3.207 20 30 CGEDHM N#Cc1ccc(NC(=O)[N-]OC2CCCC2)cc1Cl ZINC000271861410 191373775 /nfs/dbraw/zinc/37/37/75/191373775.db2.gz YXWQUMIOENPXET-UHFFFAOYSA-N -1 3 279.727 3.207 20 30 CGEDHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1cccc(C#N)c1 ZINC000336310032 213152700 /nfs/dbraw/zinc/15/27/00/213152700.db2.gz NIBGCBXDFZUANO-JTQLQIEISA-N -1 3 284.290 3.145 20 30 CGEDHM C[C@@H](O[N-]C(=O)/C=C/c1ccc(C#N)cc1)c1ccccc1 ZINC000493307956 244138877 /nfs/dbraw/zinc/13/88/77/244138877.db2.gz WYNVJYQANJYWNF-GCZGRYASSA-N -1 3 292.338 3.380 20 30 CGEDHM O=C(Cc1ccccc1F)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973609 369868371 /nfs/dbraw/zinc/86/83/71/369868371.db2.gz WHFPPVBVLGRQOQ-UHFFFAOYSA-N -1 3 286.266 3.035 20 30 CGEDHM O=C(Cc1ccccc1F)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973609 369868377 /nfs/dbraw/zinc/86/83/77/369868377.db2.gz WHFPPVBVLGRQOQ-UHFFFAOYSA-N -1 3 286.266 3.035 20 30 CGEDHM O=C(Cc1ccccc1F)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973609 369868380 /nfs/dbraw/zinc/86/83/80/369868380.db2.gz WHFPPVBVLGRQOQ-UHFFFAOYSA-N -1 3 286.266 3.035 20 30 CGEDHM Cc1oc2ncnc([N-]C(=O)c3cc(C#N)cs3)c2c1C ZINC000084073683 370010747 /nfs/dbraw/zinc/01/07/47/370010747.db2.gz JYEFMWSKOCRMGQ-UHFFFAOYSA-N -1 3 298.327 3.025 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1c(F)cccc1Cl ZINC000292761309 372204485 /nfs/dbraw/zinc/20/44/85/372204485.db2.gz KHCWMGQGBTYIRZ-UHFFFAOYSA-N -1 3 277.673 3.307 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@](C)(CC)c1nc(C)cs1 ZINC000293331707 372357160 /nfs/dbraw/zinc/35/71/60/372357160.db2.gz LRASYIIFKJLLDT-LBPRGKRZSA-N -1 3 288.363 3.404 20 30 CGEDHM Cc1ccc2c(CN(CCC#N)CC3CC3)ccc([O-])c2n1 ZINC000429683426 372375501 /nfs/dbraw/zinc/37/55/01/372375501.db2.gz ITSCBXMUWNRTIU-UHFFFAOYSA-N -1 3 295.386 3.375 20 30 CGEDHM CC(C)(C#N)CCCC[S@@](=O)c1cccc([O-])c1 ZINC000435428964 372763315 /nfs/dbraw/zinc/76/33/15/372763315.db2.gz VQAXMTACWHQIAV-GOSISDBHSA-N -1 3 265.378 3.220 20 30 CGEDHM CC(C)CCN(CCC#N)Cc1cc(F)ccc1[O-] ZINC000180077315 373963898 /nfs/dbraw/zinc/96/38/98/373963898.db2.gz UKFASCSUEKNADM-UHFFFAOYSA-N -1 3 264.344 3.293 20 30 CGEDHM C=CCCC[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000181373679 374114241 /nfs/dbraw/zinc/11/42/41/374114241.db2.gz GYLMNXSGWFAYGV-NSHDSACASA-N -1 3 280.343 3.075 20 30 CGEDHM CN(Cc1ccc(C#N)cc1)Cc1cc([O-])cc(F)c1 ZINC000186180290 374810738 /nfs/dbraw/zinc/81/07/38/374810738.db2.gz GHASNMVFMYPOSZ-UHFFFAOYSA-N -1 3 270.307 3.035 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1ccc(OC(C)C)cc1 ZINC000493181005 375463961 /nfs/dbraw/zinc/46/39/61/375463961.db2.gz ANUPNJOKPGTCNY-RUNBWSAHSA-N -1 3 275.348 3.109 20 30 CGEDHM C=CCN(CCc1ccco1)C(=O)c1cc(C)ccc1[O-] ZINC000496709082 375551373 /nfs/dbraw/zinc/55/13/73/375551373.db2.gz UUCAAFNPNADRLP-UHFFFAOYSA-N -1 3 285.343 3.165 20 30 CGEDHM CCc1ccc([O-])c(NC(=O)c2ccc(C#N)s2)c1 ZINC000335970524 375581602 /nfs/dbraw/zinc/58/16/02/375581602.db2.gz DXRZYDOETUUFGJ-UHFFFAOYSA-N -1 3 272.329 3.140 20 30 CGEDHM CC(=O)c1csc(C(=O)[N-]c2scc(C)c2C#N)c1 ZINC000335993903 375601028 /nfs/dbraw/zinc/60/10/28/375601028.db2.gz APKCSZTYTPZGMV-UHFFFAOYSA-N -1 3 290.369 3.445 20 30 CGEDHM C=CC[C@@H]1N(C(=O)c2csc(=O)[n-]2)CCCC1(C)C ZINC000336543550 375821079 /nfs/dbraw/zinc/82/10/79/375821079.db2.gz PLTPQSFTKKPQPZ-NSHDSACASA-N -1 3 280.393 3.056 20 30 CGEDHM N#Cc1cc(C(=O)Nc2ccccc2[O-])ccc1Cl ZINC000538686718 376254148 /nfs/dbraw/zinc/25/41/48/376254148.db2.gz HAGKDQOFVMLKPQ-UHFFFAOYSA-N -1 3 272.691 3.170 20 30 CGEDHM CCc1cccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1[O-] ZINC000538745763 376267765 /nfs/dbraw/zinc/26/77/65/376267765.db2.gz XZMHWLYVIRCHHR-SJCJKPOMSA-N -1 3 286.375 3.157 20 30 CGEDHM CCCCn1c(S[C@@H](C#N)c2ccccc2)n[n-]c1=O ZINC000566614702 377499243 /nfs/dbraw/zinc/49/92/43/377499243.db2.gz ISHIEHJXJYWGTM-LBPRGKRZSA-N -1 3 288.376 3.141 20 30 CGEDHM N#CCCC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000573250849 377554339 /nfs/dbraw/zinc/55/43/39/377554339.db2.gz GZVRIYGLFQZKFS-UHFFFAOYSA-N -1 3 280.318 3.186 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000345394929 378276115 /nfs/dbraw/zinc/27/61/15/378276115.db2.gz LGGAKTILKBNQOA-NSHDSACASA-N -1 3 279.299 3.263 20 30 CGEDHM C=CCn1c(SCc2c(C)cc(C)cc2C)n[n-]c1=O ZINC000348128123 378803616 /nfs/dbraw/zinc/80/36/16/378803616.db2.gz ZAAYQLWXFDEVFD-UHFFFAOYSA-N -1 3 289.404 3.387 20 30 CGEDHM CCC1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1 ZINC000389689746 379903961 /nfs/dbraw/zinc/90/39/61/379903961.db2.gz ZRZWEKPOKHPHKK-UHFFFAOYSA-N -1 3 298.433 3.011 20 30 CGEDHM C=C1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000335167641 542464907 /nfs/dbraw/zinc/46/49/07/542464907.db2.gz IBARQVGWAZINGS-UHFFFAOYSA-N -1 3 267.328 3.338 20 30 CGEDHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1sccc1C#N ZINC000188289711 392799416 /nfs/dbraw/zinc/79/94/16/392799416.db2.gz FGMWDSKHYBDDMJ-UHFFFAOYSA-N -1 3 289.360 3.367 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccccc1OCC(C)C ZINC000417609661 393350680 /nfs/dbraw/zinc/35/06/80/393350680.db2.gz LSILCNIDXIEWBM-HNNXBMFYSA-N -1 3 291.391 3.230 20 30 CGEDHM N#CC(=C([O-])c1ccoc1)c1ccc2ccccc2n1 ZINC000047375845 397632081 /nfs/dbraw/zinc/63/20/81/397632081.db2.gz PWSLDVPCEDERQS-CYBMUJFWSA-N -1 3 262.268 3.318 20 30 CGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000006315832 170190818 /nfs/dbraw/zinc/19/08/18/170190818.db2.gz VIZJVYGTZYSGAN-UHFFFAOYSA-N -1 3 292.747 3.012 20 30 CGEDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccc([O-])c1 ZINC000006432874 170200781 /nfs/dbraw/zinc/20/07/81/170200781.db2.gz HZLMNKRKZGNTEU-BQYQJAHWSA-N -1 3 269.256 3.197 20 30 CGEDHM CCN(C(=O)c1ccccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000124607013 287234981 /nfs/dbraw/zinc/23/49/81/287234981.db2.gz JZSBUKZXSBQTMM-ZDUSSCGKSA-N -1 3 294.354 3.487 20 30 CGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1[O-] ZINC000124574886 287235122 /nfs/dbraw/zinc/23/51/22/287235122.db2.gz JJZCAEWGJDEGKE-UHFFFAOYSA-N -1 3 294.354 3.316 20 30 CGEDHM C=C(C)CN(CC)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000652369098 418958590 /nfs/dbraw/zinc/95/85/90/418958590.db2.gz HECMFEZTQQADIV-JTQLQIEISA-N -1 3 251.326 3.245 20 30 CGEDHM CCNC(=O)C(C)(C)C/N=C/c1c([O-])ccc2ccccc21 ZINC000157190016 261142372 /nfs/dbraw/zinc/14/23/72/261142372.db2.gz IWCWXCYZCALBPC-YBFXNURJSA-N -1 3 298.386 3.127 20 30 CGEDHM CC(C)C[C@H]1OCCC[C@H]1/N=C/c1ccccc1[O-] ZINC000186848176 262112838 /nfs/dbraw/zinc/11/28/38/262112838.db2.gz COMWNLRRQSTTOY-IMQDNRRESA-N -1 3 261.365 3.405 20 30 CGEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@@H](C#N)C(C)(C)C)cc1 ZINC000272368241 263003550 /nfs/dbraw/zinc/00/35/50/263003550.db2.gz DFKZOBGTIMJQQM-LBPRGKRZSA-N -1 3 280.318 3.141 20 30 CGEDHM Cc1cc(Cl)cc(CN2CCC(C)(C#N)CC2)c1[O-] ZINC000272581843 263007029 /nfs/dbraw/zinc/00/70/29/263007029.db2.gz YIOQOAUUPPZZGC-UHFFFAOYSA-N -1 3 278.783 3.480 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000294384256 265015011 /nfs/dbraw/zinc/01/50/11/265015011.db2.gz BPGYVAUHYPZEPJ-LBPRGKRZSA-N -1 3 269.266 3.141 20 30 CGEDHM C=CCN(Cc1ccccc1F)C(=O)c1cccc([O-])c1 ZINC000357350240 266282057 /nfs/dbraw/zinc/28/20/57/266282057.db2.gz WHAUIQPNHKVRTC-UHFFFAOYSA-N -1 3 285.318 3.360 20 30 CGEDHM C=CCN(Cc1ccccc1F)CC1(CC(=O)[O-])CC1 ZINC000564662107 327248260 /nfs/dbraw/zinc/24/82/60/327248260.db2.gz VPVAQOLZUXYPJZ-UHFFFAOYSA-N -1 3 277.339 3.069 20 30 CGEDHM COc1cccc(C(=O)N[C@]2(C)CC=CCC2)c1[O-] ZINC000331328006 327403642 /nfs/dbraw/zinc/40/36/42/327403642.db2.gz GSUWAYHXGZUOFJ-OAHLLOKOSA-N -1 3 261.321 3.204 20 30 CGEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000189034538 329374737 /nfs/dbraw/zinc/37/47/37/329374737.db2.gz LHUYSJPYEHBJNE-MRXNPFEDSA-N -1 3 291.347 3.110 20 30 CGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc2cc[nH]c21 ZINC000079988428 330084504 /nfs/dbraw/zinc/08/45/04/330084504.db2.gz QHVJLWQPEWELPC-UHFFFAOYSA-N -1 3 293.286 3.182 20 30 CGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc2cc[nH]c21 ZINC000079988428 330084505 /nfs/dbraw/zinc/08/45/05/330084505.db2.gz QHVJLWQPEWELPC-UHFFFAOYSA-N -1 3 293.286 3.182 20 30 CGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc2cc[nH]c21 ZINC000079988428 330084507 /nfs/dbraw/zinc/08/45/07/330084507.db2.gz QHVJLWQPEWELPC-UHFFFAOYSA-N -1 3 293.286 3.182 20 30 CGEDHM CSc1cc(O)ccc1[N-]C(=O)c1sccc1C#N ZINC000191549398 330145532 /nfs/dbraw/zinc/14/55/32/330145532.db2.gz GVQXKNWAQDWXLM-UHFFFAOYSA-N -1 3 290.369 3.300 20 30 CGEDHM Cc1ccc2c(CN[C@@H]3CCC[C@H]3C#N)ccc([O-])c2n1 ZINC000459489248 331284707 /nfs/dbraw/zinc/28/47/07/331284707.db2.gz XMLPGMRQLVHECW-SWLSCSKDSA-N -1 3 281.359 3.031 20 30 CGEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000472696828 331541387 /nfs/dbraw/zinc/54/13/87/331541387.db2.gz GFQKKUPGHNSKGK-UHFFFAOYSA-N -1 3 279.814 3.036 20 30 CGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc2[nH]ccc21 ZINC000081662465 334202478 /nfs/dbraw/zinc/20/24/78/334202478.db2.gz UFWJBQPASKBWDC-UHFFFAOYSA-N -1 3 293.286 3.182 20 30 CGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc2[nH]ccc21 ZINC000081662465 334202479 /nfs/dbraw/zinc/20/24/79/334202479.db2.gz UFWJBQPASKBWDC-UHFFFAOYSA-N -1 3 293.286 3.182 20 30 CGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc2[nH]ccc21 ZINC000081662465 334202480 /nfs/dbraw/zinc/20/24/80/334202480.db2.gz UFWJBQPASKBWDC-UHFFFAOYSA-N -1 3 293.286 3.182 20 30 CGEDHM CSc1cc(C([O-])=C(C#N)c2ccccn2)ccc1F ZINC000155556793 334723828 /nfs/dbraw/zinc/72/38/28/334723828.db2.gz BXSCKUDXJCBGDW-LLVKDONJSA-N -1 3 286.331 3.433 20 30 CGEDHM CCCc1cc(C(=O)[N-]c2sc(CC)cc2C#N)no1 ZINC000460017269 535396309 /nfs/dbraw/zinc/39/63/09/535396309.db2.gz GGXAGVMLTHUVKV-UHFFFAOYSA-N -1 3 289.360 3.375 20 30 CGEDHM CC(=NNCc1ccc(F)cc1F)c1ccc(C)cc1[O-] ZINC000727060695 571710280 /nfs/dbraw/zinc/71/02/80/571710280.db2.gz VBJNTOFWPIVXHT-UHFFFAOYSA-N -1 3 290.313 3.493 20 30 CGEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccccc1[O-] ZINC000727972708 571782081 /nfs/dbraw/zinc/78/20/81/571782081.db2.gz DVRVVVULFWRHEM-UHFFFAOYSA-N -1 3 285.303 3.445 20 30 CGEDHM O=C1CCCN1c1ccc(N=Cc2ccccc2[O-])cc1 ZINC000730547184 572362101 /nfs/dbraw/zinc/36/21/01/572362101.db2.gz PAQIYRCVURXMPY-UHFFFAOYSA-N -1 3 280.327 3.270 20 30 CGEDHM CCO[C@@H]1C[C@H](/N=C/c2c([O-])cccc2OC)C12CCC2 ZINC000741465358 572500465 /nfs/dbraw/zinc/50/04/65/572500465.db2.gz UUKQCQUKZNWPMM-CHOUFLSKSA-N -1 3 289.375 3.167 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000741464619 572500564 /nfs/dbraw/zinc/50/05/64/572500564.db2.gz QCJPAWYBBWXAKK-OVSYPZHTSA-N -1 3 289.375 3.023 20 30 CGEDHM COc1cccc([O-])c1/C=N/C[C@@H]1OCCc2ccccc21 ZINC000733081159 572506884 /nfs/dbraw/zinc/50/68/84/572506884.db2.gz PRBDIZMWZXOEGM-PYJSORCASA-N -1 3 297.354 3.134 20 30 CGEDHM CCOc1ccc(/C=N/C[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000733904141 572612397 /nfs/dbraw/zinc/61/23/97/572612397.db2.gz UYDDCPYDUJBCCO-LSCADSNKSA-N -1 3 299.370 3.118 20 30 CGEDHM COc1cccc([O-])c1/C=N/Cc1cc(C#N)ccc1F ZINC000743042434 572635931 /nfs/dbraw/zinc/63/59/31/572635931.db2.gz KRDKREXYQNSVRL-VXLYETTFSA-N -1 3 284.290 3.031 20 30 CGEDHM COc1cccc([O-])c1/C=N\Cc1ccc(N(C)C)cc1C ZINC000734366134 572649631 /nfs/dbraw/zinc/64/96/31/572649631.db2.gz GCBCTSMSCFTDMF-UNOMPAQXSA-N -1 3 298.386 3.394 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000735208077 572709085 /nfs/dbraw/zinc/70/90/85/572709085.db2.gz WGXILSLOUOZNBO-LQYUOIDQSA-N -1 3 284.359 3.253 20 30 CGEDHM C=C(C)CCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000744304333 572735150 /nfs/dbraw/zinc/73/51/50/572735150.db2.gz LYSIGHPRDXMHOJ-UHFFFAOYSA-N -1 3 260.293 3.101 20 30 CGEDHM C=C(C)CCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000744304333 572735154 /nfs/dbraw/zinc/73/51/54/572735154.db2.gz LYSIGHPRDXMHOJ-UHFFFAOYSA-N -1 3 260.293 3.101 20 30 CGEDHM COc1cccc([O-])c1/C=N/CCCOC1CCCC1 ZINC000747033734 572906007 /nfs/dbraw/zinc/90/60/07/572906007.db2.gz UOMBGTMYHJIHSF-SFQUDFHCSA-N -1 3 277.364 3.169 20 30 CGEDHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(C#N)c(F)c1 ZINC000820141801 598195814 /nfs/dbraw/zinc/19/58/14/598195814.db2.gz IRMMMQUHCNNPIJ-LLVKDONJSA-N -1 3 298.317 3.246 20 30 CGEDHM C=CCCCNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819739717 607371720 /nfs/dbraw/zinc/37/17/20/607371720.db2.gz DYBSBABQLAWDJV-UHFFFAOYSA-N -1 3 287.367 3.032 20 30 CGEDHM C=CCCCNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819739717 607371722 /nfs/dbraw/zinc/37/17/22/607371722.db2.gz DYBSBABQLAWDJV-UHFFFAOYSA-N -1 3 287.367 3.032 20 30 CGEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000827718095 601304039 /nfs/dbraw/zinc/30/40/39/601304039.db2.gz OOXVPDFUQCIIKS-BLLLJJGKSA-N -1 3 280.327 3.035 20 30 CGEDHM CCC[C@H](C)C(CC)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821016451 606237292 /nfs/dbraw/zinc/23/72/92/606237292.db2.gz WVYHMFYHQYXRRB-NSHDSACASA-N -1 3 286.383 3.481 20 30 CGEDHM CCC[C@H](C)C(CC)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821016451 606237294 /nfs/dbraw/zinc/23/72/94/606237294.db2.gz WVYHMFYHQYXRRB-NSHDSACASA-N -1 3 286.383 3.481 20 30 CGEDHM CCC[C@@H](C)C(CC)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821016450 606237560 /nfs/dbraw/zinc/23/75/60/606237560.db2.gz WVYHMFYHQYXRRB-LLVKDONJSA-N -1 3 286.383 3.481 20 30 CGEDHM CCC[C@@H](C)C(CC)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821016450 606237562 /nfs/dbraw/zinc/23/75/62/606237562.db2.gz WVYHMFYHQYXRRB-LLVKDONJSA-N -1 3 286.383 3.481 20 30 CGEDHM N#Cc1c(F)cccc1Sc1cccc(-c2nnn[n-]2)c1 ZINC000822818792 606944865 /nfs/dbraw/zinc/94/48/65/606944865.db2.gz FOULOWQPLWJALN-UHFFFAOYSA-N -1 3 297.318 3.029 20 30 CGEDHM N#Cc1c(F)cccc1Sc1cccc(-c2nn[n-]n2)c1 ZINC000822818792 606944866 /nfs/dbraw/zinc/94/48/66/606944866.db2.gz FOULOWQPLWJALN-UHFFFAOYSA-N -1 3 297.318 3.029 20 30 CGEDHM C=C(CC)CNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000823877839 608289059 /nfs/dbraw/zinc/28/90/59/608289059.db2.gz HPZLPCBOUPXAHU-UHFFFAOYSA-N -1 3 287.367 3.032 20 30 CGEDHM C=C(CC)CNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000823877839 608289060 /nfs/dbraw/zinc/28/90/60/608289060.db2.gz HPZLPCBOUPXAHU-UHFFFAOYSA-N -1 3 287.367 3.032 20 30 CGEDHM C=C(CC)CSCc1ccccc1-c1nnn[n-]1 ZINC000823883220 608298802 /nfs/dbraw/zinc/29/88/02/608298802.db2.gz LGCNXIKPLUUPHA-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM C=C(CC)CSCc1ccccc1-c1nn[n-]n1 ZINC000823883220 608298803 /nfs/dbraw/zinc/29/88/03/608298803.db2.gz LGCNXIKPLUUPHA-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM O=C(c1ccncc1)N([O-])Cc1cccc2ccccc21 ZINC000899895104 620733867 /nfs/dbraw/zinc/73/38/67/620733867.db2.gz JMCVFRSXBWVDRF-UHFFFAOYSA-N -1 3 278.311 3.266 20 30 CGEDHM O=C([C@@H]1CCCCC1(F)F)N([O-])Cc1ccc(F)cc1 ZINC000900094567 620760958 /nfs/dbraw/zinc/76/09/58/620760958.db2.gz PXSHKGDOPKGUQO-LBPRGKRZSA-N -1 3 287.281 3.369 20 30 CGEDHM Cc1nc2cc(N=Cc3ccc(O)c([O-])c3O)ccc2o1 ZINC000255300006 618181345 /nfs/dbraw/zinc/18/13/45/618181345.db2.gz KVRVQWAUTNAHMI-UHFFFAOYSA-N -1 3 284.271 3.004 20 30 CGEDHM CC[C@](C)(C/N=C/c1cc(Cl)ccc1[O-])OC ZINC000840706611 620085669 /nfs/dbraw/zinc/08/56/69/620085669.db2.gz IZAYSDFSSWIMNO-MGMWDDNKSA-N -1 3 255.745 3.280 20 30 CGEDHM C=CCC1(C/N=C\c2c([O-])c(C)ncc2CO)CCCC1 ZINC000840708118 620092135 /nfs/dbraw/zinc/09/21/35/620092135.db2.gz CNMSAOVOTSYKLV-ZDLGFXPLSA-N -1 3 288.391 3.143 20 30 CGEDHM O=C(c1ccc(F)cn1)N([O-])Cc1cccc2ccccc21 ZINC000901370042 620865411 /nfs/dbraw/zinc/86/54/11/620865411.db2.gz PKGXDQQZKJDPEQ-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM O=C([C@H]1CC12CC2)N([O-])Cc1cccc2ccccc21 ZINC000901371219 620866207 /nfs/dbraw/zinc/86/62/07/620866207.db2.gz SHZURHQNPXRKER-OAHLLOKOSA-N -1 3 267.328 3.358 20 30 CGEDHM CO[C@H]1CCC[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901372766 620867609 /nfs/dbraw/zinc/86/76/09/620867609.db2.gz LVYIFVQZGSQGAE-ZFWWWQNUSA-N -1 3 295.354 3.139 20 30 CGEDHM O=C(c1cccc2c1CCC2)N([O-])Cc1ccc(F)cc1 ZINC000901374879 620868269 /nfs/dbraw/zinc/86/82/69/620868269.db2.gz VBDNVESEEYEQEX-UHFFFAOYSA-N -1 3 285.318 3.346 20 30 CGEDHM CCOc1ccccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901378489 620868978 /nfs/dbraw/zinc/86/89/78/620868978.db2.gz HUUQOQLSDJZHSO-UHFFFAOYSA-N -1 3 289.306 3.256 20 30 CGEDHM CCn1cncc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000901454764 620893279 /nfs/dbraw/zinc/89/32/79/620893279.db2.gz WPIUJFPFIIPAEC-VKRGWIQLSA-N -1 3 286.306 3.131 20 30 CGEDHM COC(C)(C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170996 621883880 /nfs/dbraw/zinc/88/38/80/621883880.db2.gz HOVKTVZPLYAUEC-UHFFFAOYSA-N -1 3 287.359 3.373 20 30 CGEDHM C[C@H]1COCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170984 621884077 /nfs/dbraw/zinc/88/40/77/621884077.db2.gz HMVXSDNCZFNNLX-XJKSGUPXSA-N -1 3 299.370 3.230 20 30 CGEDHM Cc1ccc([C@@H](C)C(=O)N([O-])Cc2ccc(F)cc2)o1 ZINC000904175953 621884803 /nfs/dbraw/zinc/88/48/03/621884803.db2.gz ZTONFRMBWIDLLJ-LLVKDONJSA-N -1 3 277.295 3.249 20 30 CGEDHM CS[C@H](C)CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174189 621885126 /nfs/dbraw/zinc/88/51/26/621885126.db2.gz WDRFUHHWMIJWRB-SNVBAGLBSA-N -1 3 271.357 3.075 20 30 CGEDHM O=C(CCC(F)(F)F)N([O-])Cc1ccccc1Cl ZINC000904188881 621886809 /nfs/dbraw/zinc/88/68/09/621886809.db2.gz RLNDGKZKYIBVRG-UHFFFAOYSA-N -1 3 281.661 3.400 20 30 CGEDHM O=C(C1CCSCC1)N([O-])CCCCc1ccccc1 ZINC000904196721 621888037 /nfs/dbraw/zinc/88/80/37/621888037.db2.gz DITQHMRQLOVALJ-UHFFFAOYSA-N -1 3 293.432 3.370 20 30 CGEDHM CCCCCCN([O-])C(=O)CCCc1ccccn1 ZINC000904204097 621889765 /nfs/dbraw/zinc/88/97/65/621889765.db2.gz FGWGKWXOWVZLSF-UHFFFAOYSA-N -1 3 264.369 3.202 20 30 CGEDHM CC(N=Nc1ncnc2ccsc21)c1sccc1[O-] ZINC000769793577 625576149 /nfs/dbraw/zinc/57/61/49/625576149.db2.gz OGDIEPWSDGQKFJ-UHFFFAOYSA-N -1 3 290.373 3.295 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccccc2F)nc(C)n1 ZINC000916880148 624221181 /nfs/dbraw/zinc/22/11/81/624221181.db2.gz MFJVOELSBSFMFJ-DANTVBBOSA-N -1 3 295.317 3.122 20 30 CGEDHM CCOC(=O)[C@@H](CC1CC1)/N=C/c1cc(Cl)ccc1[O-] ZINC000751889354 626409087 /nfs/dbraw/zinc/40/90/87/626409087.db2.gz AOCOUZXCACJJBY-LFMVTYOGSA-N -1 3 295.766 3.196 20 30 CGEDHM CO[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1(C)C ZINC000753138266 626446366 /nfs/dbraw/zinc/44/63/66/626446366.db2.gz LTIPEKNIIODWFJ-CWJRHKRGSA-N -1 3 267.756 3.278 20 30 CGEDHM [O-]c1ccc(C=NNCc2cccc(Cl)c2)cc1F ZINC000755770900 626645104 /nfs/dbraw/zinc/64/51/04/626645104.db2.gz PNBXGFAGJYZTIG-UHFFFAOYSA-N -1 3 278.714 3.308 20 30 CGEDHM C[C@H]1CC(=NO[C@H]2CCCCO2)c2c1c(F)ccc2[O-] ZINC000755818268 626650023 /nfs/dbraw/zinc/65/00/23/626650023.db2.gz BOOBZTYZFXHPQA-ZANVPECISA-N -1 3 279.311 3.286 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CC2(CC(C)C)CCC2)c1[O-] ZINC000756775938 626731210 /nfs/dbraw/zinc/73/12/10/626731210.db2.gz RGWXITJSKCDDGX-GIJQJNRQSA-N -1 3 290.407 3.223 20 30 CGEDHM CC(=NNCCc1ccccc1F)c1ccc([O-])c(F)c1 ZINC000764722705 627220595 /nfs/dbraw/zinc/22/05/95/627220595.db2.gz KOSCSVSQCKUYTG-UHFFFAOYSA-N -1 3 290.313 3.227 20 30 CGEDHM CC(=NN[C@@H](C)CC#N)c1ccc2ccccc2c1[O-] ZINC000771884136 627740045 /nfs/dbraw/zinc/74/00/45/627740045.db2.gz GGVWUEZMVFVOIG-NSHDSACASA-N -1 3 267.332 3.161 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccccc2Cl)c1 ZINC000776280493 628188505 /nfs/dbraw/zinc/18/85/05/628188505.db2.gz RNWPBNIAIHJKGL-UHFFFAOYSA-N -1 3 287.702 3.274 20 30 CGEDHM CCc1nocc1C(=O)[N-]c1sc(C)c(CC)c1C#N ZINC000875297498 634688786 /nfs/dbraw/zinc/68/87/86/634688786.db2.gz MXQUDFKSLOOJMA-UHFFFAOYSA-N -1 3 289.360 3.293 20 30 CGEDHM CC(C)(C#N)CCCOC(=O)c1cc2occc2[n-]1 ZINC000786028955 628907994 /nfs/dbraw/zinc/90/79/94/628907994.db2.gz AGKPQXHKWUGZSJ-UHFFFAOYSA-N -1 3 260.293 3.248 20 30 CGEDHM N#CCCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786138440 628915521 /nfs/dbraw/zinc/91/55/21/628915521.db2.gz SWHRJFZUVBJKKL-UHFFFAOYSA-N -1 3 261.302 3.067 20 30 CGEDHM C=CCN(Cc1c([O-])cccc1Br)C1CC1 ZINC000862324917 629344445 /nfs/dbraw/zinc/34/44/45/629344445.db2.gz YGJZXKBXUAFASI-UHFFFAOYSA-N -1 3 282.181 3.305 20 30 CGEDHM CC(=NN[C@H](C)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000793112135 629412307 /nfs/dbraw/zinc/41/23/07/629412307.db2.gz QDHOWJYEVLMNPO-SNVBAGLBSA-N -1 3 252.333 3.280 20 30 CGEDHM C[C@H]1OCC(N=Nc2nc3ccccc3[n-]c2=S)[C@@H]1C ZINC000863125326 629479980 /nfs/dbraw/zinc/47/99/80/629479980.db2.gz STVDVRLQTGXEQN-RKDXNWHRSA-N -1 3 288.376 3.115 20 30 CGEDHM S=c1[n-]c2ccccc2nc1N=NC[C@@H]1CCSC1 ZINC000863124838 629480117 /nfs/dbraw/zinc/48/01/17/629480117.db2.gz FNSRNALPMYEZPF-VIFPVBQESA-N -1 3 290.417 3.443 20 30 CGEDHM FC1(F)CC1=CNN=c1[nH]c2ccccc2[n-]c1=S ZINC000863124725 629480592 /nfs/dbraw/zinc/48/05/92/629480592.db2.gz BICJCDDNUUNZIL-SSDOTTSWSA-N -1 3 280.303 3.345 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCCn2nccc21 ZINC000864348138 629816311 /nfs/dbraw/zinc/81/63/11/629816311.db2.gz FPUHOYCXLUSRBT-RGZVIEDOSA-N -1 3 275.739 3.196 20 30 CGEDHM C=C(Cl)C[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000864518710 629852922 /nfs/dbraw/zinc/85/29/22/629852922.db2.gz RTIHEIAKRUARFH-LLVKDONJSA-N -1 3 292.137 3.165 20 30 CGEDHM C=C(C)C[C@@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000864530442 629856555 /nfs/dbraw/zinc/85/65/55/629856555.db2.gz YENIAAVFHLRUGV-LLVKDONJSA-N -1 3 289.709 3.127 20 30 CGEDHM C#Cc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000798185443 630032099 /nfs/dbraw/zinc/03/20/99/630032099.db2.gz DSJGICLKBVSDFW-UHFFFAOYSA-N -1 3 259.255 3.264 20 30 CGEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000806552553 630565805 /nfs/dbraw/zinc/56/58/05/630565805.db2.gz WDHYFBWZFWATDR-XMQIJBHMSA-N -1 3 251.635 3.415 20 30 CGEDHM CC(=NN[C@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000808000710 630614731 /nfs/dbraw/zinc/61/47/31/630614731.db2.gz SMQBYCDMUULBOM-ZDUSSCGKSA-N -1 3 286.400 3.365 20 30 CGEDHM N#Cc1c(F)cccc1/C=C1\Cc2c(cccc2[O-])C1=O ZINC000811687647 631109813 /nfs/dbraw/zinc/10/98/13/631109813.db2.gz IHTWTNLNZMPENA-YRNVUSSQSA-N -1 3 279.270 3.225 20 30 CGEDHM CO[C@@](C)(C/N=C/c1cc(Cl)ccc1[O-])C1CC1 ZINC000812445371 631261601 /nfs/dbraw/zinc/26/16/01/631261601.db2.gz WKLZGLSAROOOIY-BRSWLGOBSA-N -1 3 267.756 3.280 20 30 CGEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc(N)cc1[O-] ZINC000817938523 632239085 /nfs/dbraw/zinc/23/90/85/632239085.db2.gz MEDAVVYRELMMNA-UHFFFAOYSA-N -1 3 288.391 3.183 20 30 CGEDHM O=C(/C=C/c1ccc([O-])c(F)c1)c1cccc(O)c1 ZINC000120813269 632954140 /nfs/dbraw/zinc/95/41/40/632954140.db2.gz ZPVQFROXVJWSPZ-GQCTYLIASA-N -1 3 258.248 3.133 20 30 CGEDHM Cc1csc([C@H](C)N[C@H](C)c2cccc(C#N)c2[O-])n1 ZINC000866256281 633048199 /nfs/dbraw/zinc/04/81/99/633048199.db2.gz IKMBNVBVCYZDRE-MNOVXSKESA-N -1 3 287.388 3.441 20 30 CGEDHM C[C@H](NCc1nc(C2CC2)cs1)c1cccc(C#N)c1[O-] ZINC000866304947 633074084 /nfs/dbraw/zinc/07/40/84/633074084.db2.gz CDOQYJSHYNRILB-JTQLQIEISA-N -1 3 299.399 3.449 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(SC2CC2)cc1 ZINC000824033480 633184473 /nfs/dbraw/zinc/18/44/73/633184473.db2.gz MXDQSFPUSYFLRE-LLVKDONJSA-N -1 3 277.389 3.106 20 30 CGEDHM CC1(C)CCCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000824801748 633293118 /nfs/dbraw/zinc/29/31/18/633293118.db2.gz IAHATKFWPJVWPD-BENRWUELSA-N -1 3 282.347 3.029 20 30 CGEDHM CC1(C)CCCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000824801748 633293124 /nfs/dbraw/zinc/29/31/24/633293124.db2.gz IAHATKFWPJVWPD-BENRWUELSA-N -1 3 282.347 3.029 20 30 CGEDHM CC(F)(F)C/N=C/c1cc(Br)ccc1[O-] ZINC000840705960 635038019 /nfs/dbraw/zinc/03/80/19/635038019.db2.gz JGAIBCGECPNJNL-LHHJGKSTSA-N -1 3 278.096 3.229 20 30 CGEDHM C[C@@H](O[N-]C(=O)CC(C)(C)C)c1ccc(C#N)cc1 ZINC000842061029 635271331 /nfs/dbraw/zinc/27/13/31/635271331.db2.gz HOGVQEXJHAHFLY-LLVKDONJSA-N -1 3 260.337 3.103 20 30 CGEDHM C=C(C)CO[N-]C(=O)Nc1nnc(C(CC)CC)s1 ZINC000844493701 635918645 /nfs/dbraw/zinc/91/86/45/635918645.db2.gz IFLVMYUUHHLEOM-UHFFFAOYSA-N -1 3 284.385 3.071 20 30 CGEDHM C=CCO[N-]C(=O)Cc1csc2cc(C)sc12 ZINC000880228472 635943189 /nfs/dbraw/zinc/94/31/89/635943189.db2.gz IOAPPHUIQXFXJU-UHFFFAOYSA-N -1 3 267.375 3.048 20 30 CGEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000846535272 636193972 /nfs/dbraw/zinc/19/39/72/636193972.db2.gz VZVYMTHXMPFUTD-GFCCVEGCSA-N -1 3 272.348 3.285 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCCc1ccc(C)cc1 ZINC000846539639 636196313 /nfs/dbraw/zinc/19/63/13/636196313.db2.gz KMFOLLARAUWGNN-UHFFFAOYSA-N -1 3 261.365 3.332 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1cc(C)sc1C ZINC000846546908 636197831 /nfs/dbraw/zinc/19/78/31/636197831.db2.gz MDXCYJJOQVCPIK-SNVBAGLBSA-N -1 3 267.394 3.310 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000846548474 636199194 /nfs/dbraw/zinc/19/91/94/636199194.db2.gz KBETWZFHPVAPSC-WHXUTIOJSA-N -1 3 279.302 3.368 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCCOc1cccc(C)c1 ZINC000846547433 636199357 /nfs/dbraw/zinc/19/93/57/636199357.db2.gz AHDRKJYQWYFXEN-AWEZNQCLSA-N -1 3 277.364 3.166 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000846553335 636200703 /nfs/dbraw/zinc/20/07/03/636200703.db2.gz BBRBJAOFCIZRHH-NEPJUHHUSA-N -1 3 272.348 3.284 20 30 CGEDHM C#C[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000848280746 636551408 /nfs/dbraw/zinc/55/14/08/636551408.db2.gz MISQLLPXIYQOGD-ZDUSSCGKSA-N -1 3 271.360 3.001 20 30 CGEDHM COC(=O)C[C@H](C/N=C/c1cc(Cl)ccc1[O-])C1CC1 ZINC000849172375 636765219 /nfs/dbraw/zinc/76/52/19/636765219.db2.gz QXLIMIIDFPKAII-LBFZPMSMSA-N -1 3 295.766 3.054 20 30 CGEDHM CCC(CC)[C@H](O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000110129679 637466379 /nfs/dbraw/zinc/46/63/79/637466379.db2.gz JUQJGGFGEMZJKU-UVYNJXETSA-N -1 3 269.772 3.262 20 30 CGEDHM COc1ccc2ccc([O-])c(CN([C@@H](C)C#N)C3CC3)c2c1 ZINC000853545870 637865178 /nfs/dbraw/zinc/86/51/78/637865178.db2.gz IORMSLCRBSWWCR-LBPRGKRZSA-N -1 3 296.370 3.430 20 30 CGEDHM N#Cc1cc([O-])ccc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000854201131 638018204 /nfs/dbraw/zinc/01/82/04/638018204.db2.gz FAOOJNKKHBUHDD-KRWDZBQOSA-N -1 3 295.338 3.236 20 30 CGEDHM C=CCCO[N-]C(=O)CCSc1ccccc1Cl ZINC000856028513 638285992 /nfs/dbraw/zinc/28/59/92/638285992.db2.gz VPNMLMGEMITWQZ-UHFFFAOYSA-N -1 3 285.796 3.446 20 30 CGEDHM C=CCCO[N-]C(=O)CCCCc1ccc(C)cc1 ZINC000856031067 638286909 /nfs/dbraw/zinc/28/69/09/638286909.db2.gz DEDNAUQUWUVNNE-UHFFFAOYSA-N -1 3 261.365 3.332 20 30 CGEDHM C#CCC1(C(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC000928708686 638889409 /nfs/dbraw/zinc/88/94/09/638889409.db2.gz QAZQFWNHXXZGPR-UHFFFAOYSA-N -1 3 289.350 3.121 20 30 CGEDHM COc1cc2[nH]c(-c3ccc(C#N)cc3[O-])nc2cc1C ZINC001251332009 805883309 /nfs/dbraw/zinc/88/33/09/805883309.db2.gz FUJUNNVAQMFFHS-UHFFFAOYSA-N -1 3 279.299 3.124 20 30 CGEDHM C=CCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695526017 799829546 /nfs/dbraw/zinc/82/95/46/799829546.db2.gz SYBXANKVQZCGPL-UHFFFAOYSA-N -1 3 265.313 3.244 20 30 CGEDHM CCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000703747873 799928043 /nfs/dbraw/zinc/92/80/43/799928043.db2.gz IGPPJPINWDFVAT-UHFFFAOYSA-N -1 3 253.302 3.078 20 30 CGEDHM C#C[C@@H](NCc1cccc([O-])c1Br)C(C)(C)C ZINC000705337512 799948492 /nfs/dbraw/zinc/94/84/92/799948492.db2.gz SYIMFWXGKKLHQT-GFCCVEGCSA-N -1 3 296.208 3.292 20 30 CGEDHM N#Cc1cc(F)cc([N-]S(=O)(=O)CC2CCCCC2)c1 ZINC000720010235 800252122 /nfs/dbraw/zinc/25/21/22/800252122.db2.gz PFQSJQRDBICTFK-UHFFFAOYSA-N -1 3 296.367 3.019 20 30 CGEDHM N#CC(=C([O-])C=C(C1CC1)C1CC1)c1cccc(F)n1 ZINC001122632030 802877670 /nfs/dbraw/zinc/87/76/70/802877670.db2.gz NVHLMWFNGWMIBI-CYBMUJFWSA-N -1 3 270.307 3.143 20 30 CGEDHM N#Cc1cnn(-c2ccccc2)c1Nc1cccc(F)c1[O-] ZINC001210196684 814333364 /nfs/dbraw/zinc/33/33/64/814333364.db2.gz ZXXZERPQHXBYGA-UHFFFAOYSA-N -1 3 294.289 3.332 20 30 CGEDHM COC(=O)c1cc(-c2cc(C)c(F)c([O-])c2)ccc1C#N ZINC001244525682 803418775 /nfs/dbraw/zinc/41/87/75/803418775.db2.gz SISLJMVUXNMCSI-UHFFFAOYSA-N -1 3 285.274 3.165 20 30 CGEDHM COc1c(O)cccc1-c1cc(/C=N/[O-])ccc1F ZINC001244991133 803607290 /nfs/dbraw/zinc/60/72/90/803607290.db2.gz PCAGUTDKLADLPT-LZYBPNLTSA-N -1 3 261.252 3.015 20 30 CGEDHM N#Cc1cc2nc(-c3ccc([O-])cc3Cl)ccc2[nH]1 ZINC001245080478 803635658 /nfs/dbraw/zinc/63/56/58/803635658.db2.gz ZVGWLKKPJHFNHM-UHFFFAOYSA-N -1 3 269.691 3.461 20 30 CGEDHM CCCCCCCNC(=S)Nc1cncc([O-])c1 ZINC001249629215 805191913 /nfs/dbraw/zinc/19/19/13/805191913.db2.gz SRJNZEUQAAVSFT-UHFFFAOYSA-N -1 3 267.398 3.044 20 30 CGEDHM N#Cc1cc(CCCOc2ccccc2)ccc1[O-] ZINC001249970245 805334573 /nfs/dbraw/zinc/33/45/73/805334573.db2.gz SIBONDABNOVYTL-UHFFFAOYSA-N -1 3 253.301 3.275 20 30 CGEDHM N#Cc1cc(CCCOc2ccc(F)cc2)ccc1[O-] ZINC001250115754 805425240 /nfs/dbraw/zinc/42/52/40/805425240.db2.gz CAKFNLAMHBCCDB-UHFFFAOYSA-N -1 3 271.291 3.415 20 30 CGEDHM CC(=O)OCc1cccc(C)c1Nc1cc(C#N)ccc1[O-] ZINC001212771335 815133211 /nfs/dbraw/zinc/13/32/11/815133211.db2.gz QMTLRLGMPKSJAA-UHFFFAOYSA-N -1 3 296.326 3.379 20 30 CGEDHM COc1ccc(Nc2cc(F)c(F)cc2[O-])c(C#N)c1 ZINC001212784423 815136675 /nfs/dbraw/zinc/13/66/75/815136675.db2.gz RNBQHTKCGCYDON-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM COc1ccc(F)c(F)c1Nc1cc(C#N)ccc1[O-] ZINC001174424109 809014961 /nfs/dbraw/zinc/01/49/61/809014961.db2.gz SSPTXTRGIOPARA-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC001174508848 809054143 /nfs/dbraw/zinc/05/41/43/809054143.db2.gz QPMCGYFEFNLULG-UHFFFAOYSA-N -1 3 276.299 3.398 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc(F)c(F)c(F)c2)c1 ZINC001174960398 809217492 /nfs/dbraw/zinc/21/74/92/809217492.db2.gz YQCMTGZSDCSBER-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM COc1cc(Nc2cc(C#N)ccc2[O-])cc(OC)c1 ZINC001175111624 809277023 /nfs/dbraw/zinc/27/70/23/809277023.db2.gz SEFAVNVZZULESH-UHFFFAOYSA-N -1 3 270.288 3.025 20 30 CGEDHM CC(C)(C)c1nc([N-]c2ccc(F)c(C#N)c2)no1 ZINC001176610791 809730340 /nfs/dbraw/zinc/73/03/40/809730340.db2.gz IAVMHPLKGATOMM-UHFFFAOYSA-N -1 3 260.272 3.121 20 30 CGEDHM CC(C)COCCC(=O)N([O-])CCCCc1ccccc1 ZINC001184293123 810188862 /nfs/dbraw/zinc/18/88/62/810188862.db2.gz FYPDPAQBYGOJML-UHFFFAOYSA-N -1 3 293.407 3.290 20 30 CGEDHM CC(C)[C@@H]1C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283369 810189046 /nfs/dbraw/zinc/18/90/46/810189046.db2.gz HMUBUCOHKCXBBQ-RYUDHWBXSA-N -1 3 267.756 3.350 20 30 CGEDHM CC[C@H](C)OCC(=O)N([O-])CCCCc1ccccc1 ZINC001184293443 810189078 /nfs/dbraw/zinc/18/90/78/810189078.db2.gz SXSDJBKXODHWCY-AWEZNQCLSA-N -1 3 279.380 3.042 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001184305946 810189818 /nfs/dbraw/zinc/18/98/18/810189818.db2.gz XRNMYDOADJOCAX-MRXNPFEDSA-N -1 3 291.391 3.405 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)c1c(F)cccc1F ZINC001184314714 810190664 /nfs/dbraw/zinc/19/06/64/810190664.db2.gz HTRGOLMZASAOSX-VIFPVBQESA-N -1 3 257.280 3.086 20 30 CGEDHM CCCCN([O-])C(=O)Cc1ccc2c(c1)CCCC2 ZINC001184314591 810190751 /nfs/dbraw/zinc/19/07/51/810190751.db2.gz BHONZIMPLCUPQX-UHFFFAOYSA-N -1 3 261.365 3.126 20 30 CGEDHM COc1ccc(C)c(F)c1Nc1cc(C#N)ccc1[O-] ZINC001214630898 815436208 /nfs/dbraw/zinc/43/62/08/815436208.db2.gz DZHWTSMMILGGJZ-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM C#CC[C@@H](CC)Oc1c([O-])cc(Br)cc1F ZINC001227588353 817677415 /nfs/dbraw/zinc/67/74/15/817677415.db2.gz RDBMVOACKNWGRV-SECBINFHSA-N -1 3 287.128 3.475 20 30 CGEDHM N#Cc1ccc([N-]c2cc(C(F)(F)F)no2)c(F)c1 ZINC001201555451 811901514 /nfs/dbraw/zinc/90/15/14/811901514.db2.gz DDECHOLAFSTNLB-UHFFFAOYSA-N -1 3 271.173 3.448 20 30 CGEDHM N#Cc1ccc(C=CNc2ccc(F)c([O-])c2)cc1 ZINC001203305300 812304702 /nfs/dbraw/zinc/30/47/02/812304702.db2.gz DCUYKQKSBFNYGO-BQYQJAHWSA-N -1 3 254.264 3.486 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2cc(F)c(C)cc2s1 ZINC001204623965 812693404 /nfs/dbraw/zinc/69/34/04/812693404.db2.gz PONKUFUEJNHLGF-QMMMGPOBSA-N -1 3 295.339 3.371 20 30 CGEDHM Cc1cnc(-c2c(F)cc(F)c(F)c2F)c(/C=N/[O-])c1 ZINC001205161127 812891798 /nfs/dbraw/zinc/89/17/98/812891798.db2.gz BBPNKTIMOCXEHK-PTXOJBNSSA-N -1 3 284.212 3.422 20 30 CGEDHM COc1cc(C)cc(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001215708337 815563844 /nfs/dbraw/zinc/56/38/44/815563844.db2.gz CLFLTWMLQRHOJP-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM COc1cccc(C#N)c1Nc1ccc(F)cc1[O-] ZINC001210017219 814246400 /nfs/dbraw/zinc/24/64/00/814246400.db2.gz SYSPCCIAKUASLX-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM COc1cccc(Nc2cccc(F)c2[O-])c1C#N ZINC001210123279 814299700 /nfs/dbraw/zinc/29/97/00/814299700.db2.gz GRPDIPIJMPIBOP-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM CC(C)(C)c1noc(Nc2cccc(F)c2[O-])c1C#N ZINC001210195308 814331813 /nfs/dbraw/zinc/33/18/13/814331813.db2.gz KZHSJMBSGGPLDK-UHFFFAOYSA-N -1 3 275.283 3.432 20 30 CGEDHM N#Cc1cccc(C#N)c1Nc1cccc(F)c1[O-] ZINC001210197333 814334331 /nfs/dbraw/zinc/33/43/31/814334331.db2.gz NBENMTILRMWQTL-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM COc1ccc(Nc2cccc(F)c2[O-])cc1C#N ZINC001210198599 814335345 /nfs/dbraw/zinc/33/53/45/814335345.db2.gz ZZEHVIUPQSCNJL-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM COc1c(F)cc(F)cc1Nc1cc(C#N)ccc1[O-] ZINC001210868461 814658861 /nfs/dbraw/zinc/65/88/61/814658861.db2.gz NJFUZHQBHUPVFA-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM Cc1ccc(Nc2cc(C#N)cc([N+](=O)[O-])c2)c([O-])c1 ZINC001211327838 814879609 /nfs/dbraw/zinc/87/96/09/814879609.db2.gz LNIQAOSBKRANSZ-UHFFFAOYSA-N -1 3 269.260 3.224 20 30 CGEDHM CC(=O)c1cccc(Nc2c([O-])cccc2C#N)c1F ZINC001216503430 815844678 /nfs/dbraw/zinc/84/46/78/815844678.db2.gz ZQESOPYMBARUBE-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM [O-]/N=C(\O[C@H]1CCc2cc(F)ccc21)c1ccccn1 ZINC001223976165 816712619 /nfs/dbraw/zinc/71/26/19/816712619.db2.gz NINXSSHFQCDKTQ-JZYMCLRRSA-N -1 3 272.279 3.061 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1ccc2c([O-])coc2c1 ZINC001225341347 817017651 /nfs/dbraw/zinc/01/76/51/817017651.db2.gz YXUQTUKEKBXVBF-LBPRGKRZSA-N -1 3 270.328 3.245 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)COc2ccccc2C)[n-]1 ZINC001225470103 817063637 /nfs/dbraw/zinc/06/36/37/817063637.db2.gz QWFXSHKKDUXLNC-CYBMUJFWSA-N -1 3 298.342 3.122 20 30 CGEDHM C#C[C@@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226114729 817276826 /nfs/dbraw/zinc/27/68/26/817276826.db2.gz PXSPARBMJPBWTQ-QRYYFKOISA-N -1 3 251.285 3.248 20 30 CGEDHM CC(=O)[C@@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226115089 817277287 /nfs/dbraw/zinc/27/72/87/817277287.db2.gz WMVWGDKOZAPFAM-PCJMVEANSA-N -1 3 269.300 3.204 20 30 CGEDHM C[C@H](COc1cccc(/C=N/[O-])c1)OCc1ccccc1 ZINC001226115231 817277325 /nfs/dbraw/zinc/27/73/25/817277325.db2.gz YWAJQKXEJOYEQE-XWAFYUISSA-N -1 3 285.343 3.479 20 30 CGEDHM C=CCC(CC=C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226478941 817370632 /nfs/dbraw/zinc/37/06/32/817370632.db2.gz KFQMMDQZNAAIHD-UHFFFAOYSA-N -1 3 262.305 3.200 20 30 CGEDHM C=CCC[C@H](CC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481355 817372400 /nfs/dbraw/zinc/37/24/00/817372400.db2.gz FOKDRLXVHYIYAT-NSHDSACASA-N -1 3 264.321 3.424 20 30 CGEDHM N#Cc1cncc(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001226687414 817433340 /nfs/dbraw/zinc/43/33/40/817433340.db2.gz YJMBACMWPOHQPY-INIZCTEOSA-N -1 3 294.266 3.142 20 30 CGEDHM C=C[C@@H](Oc1cc(C)nc(=S)[n-]1)c1ccccc1 ZINC001226802053 817470023 /nfs/dbraw/zinc/47/00/23/817470023.db2.gz FYFKKONPBABTIW-GFCCVEGCSA-N -1 3 258.346 3.380 20 30 CGEDHM CC(C)C[C@H](Oc1cc(C#N)ccc1[O-])C(=O)OC(C)C ZINC001227344806 817628606 /nfs/dbraw/zinc/62/86/06/817628606.db2.gz DFMDETDGFCUETI-HNNXBMFYSA-N -1 3 291.347 3.009 20 30 CGEDHM COc1cccc(OC[C@@H](C)Oc2cc(C#N)ccc2[O-])c1 ZINC001227350504 817629439 /nfs/dbraw/zinc/62/94/39/817629439.db2.gz NSJGARVNPXQFML-GFCCVEGCSA-N -1 3 299.326 3.119 20 30 CGEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1C#N ZINC001227351868 817630467 /nfs/dbraw/zinc/63/04/67/817630467.db2.gz ZNDHDEQHIJYRIR-LLVKDONJSA-N -1 3 264.284 3.276 20 30 CGEDHM N#C[C@H](Oc1ncc(Cl)cc1[O-])c1cccc(F)c1 ZINC001227982293 817773178 /nfs/dbraw/zinc/77/31/78/817773178.db2.gz AUIZXYDHIGLOJZ-LBPRGKRZSA-N -1 3 278.670 3.223 20 30 CGEDHM Cc1[n-]c(=O)cc(O[C@@H](CC#N)c2ccccc2)c1[N+](=O)[O-] ZINC001228689955 817972905 /nfs/dbraw/zinc/97/29/05/817972905.db2.gz XWEBEPHSRDTTPZ-LBPRGKRZSA-N -1 3 299.286 3.038 20 30 CGEDHM C#C[C@H](Oc1nnc(-c2cccnc2)[n-]1)[C@@H](CC)CCCC ZINC001228698192 817977029 /nfs/dbraw/zinc/97/70/29/817977029.db2.gz OQFTWLUWBNEAJQ-ZFWWWQNUSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@H](Oc1nc(-c2cccnc2)n[n-]1)[C@@H](CC)CCCC ZINC001228698192 817977033 /nfs/dbraw/zinc/97/70/33/817977033.db2.gz OQFTWLUWBNEAJQ-ZFWWWQNUSA-N -1 3 298.390 3.464 20 30 CGEDHM CN(Cc1ccc(C#N)cc1[O-])Cc1cccc(F)c1F ZINC001233387227 818607727 /nfs/dbraw/zinc/60/77/27/818607727.db2.gz AKUOVPZQXOWLJA-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM N#CC=C([O-])c1ccccc1OC1CCSCC1 ZINC001233522424 818632295 /nfs/dbraw/zinc/63/22/95/818632295.db2.gz HRHLERWJWZMQIV-UHFFFAOYSA-N -1 3 261.346 3.057 20 30 CGEDHM N#CC=C([O-])c1ccccc1OC(C1CC1)C1CC1 ZINC001233524750 818633302 /nfs/dbraw/zinc/63/33/02/818633302.db2.gz QCCJNFUOPAISRO-UHFFFAOYSA-N -1 3 255.317 3.350 20 30 CGEDHM CC[C@H](C#Cc1ccccc1)Oc1ccc2occ([O-])c2c1 ZINC001233681256 818678990 /nfs/dbraw/zinc/67/89/90/818678990.db2.gz SNBZPWXUJUWTMT-OAHLLOKOSA-N -1 3 292.334 3.471 20 30 CGEDHM COc1cccc(OC[C@H](C)Oc2cc([O-])cc(C#N)c2)c1 ZINC001234144963 818790041 /nfs/dbraw/zinc/79/00/41/818790041.db2.gz YKBMZHQKFZOMMZ-LBPRGKRZSA-N -1 3 299.326 3.119 20 30 CGEDHM CC1(C)CC(Oc2cc([O-])cc(C#N)c2)CC(C)(C)O1 ZINC001234144766 818790547 /nfs/dbraw/zinc/79/05/47/818790547.db2.gz VPEADZOVIVWRFY-UHFFFAOYSA-N -1 3 275.348 3.379 20 30 CGEDHM C=C(C)C(=O)OC[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234448399 818857558 /nfs/dbraw/zinc/85/75/58/818857558.db2.gz RRMJLVUKEMQDGP-QMMMGPOBSA-N -1 3 288.702 3.071 20 30 CGEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1cccs1 ZINC001234511596 818870694 /nfs/dbraw/zinc/87/06/94/818870694.db2.gz RQNHCCFPQYSZQU-SECBINFHSA-N -1 3 297.339 3.409 20 30 CGEDHM [O-]N=Cc1ccccc1-c1ccnn1Cc1ccccc1 ZINC001236054186 819289899 /nfs/dbraw/zinc/28/98/99/819289899.db2.gz NHVXRVOJQPUVJN-UHFFFAOYSA-N -1 3 277.327 3.407 20 30 CGEDHM COc1ccc(-c2cccc(C=N[O-])c2)c2c[nH]nc21 ZINC001236468713 819489947 /nfs/dbraw/zinc/48/99/47/819489947.db2.gz MZDKZPYFVYCZMI-CAOOACKPSA-N -1 3 267.288 3.047 20 30 CGEDHM COc1cc(OC)c(-c2cccc(/C=N/[O-])c2)c(OC)c1 ZINC001239650152 820490241 /nfs/dbraw/zinc/49/02/41/820490241.db2.gz BLLOFIBGALRZPD-LICLKQGHSA-N -1 3 287.315 3.188 20 30 CGEDHM [O-]N=Cc1ccccc1-c1ccc(N2CCCC2)nc1 ZINC001241377669 821778980 /nfs/dbraw/zinc/77/89/80/821778980.db2.gz FBYMDFRHMDQCEZ-UHFFFAOYSA-N -1 3 267.332 3.157 20 30 CGEDHM N#CCCOc1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218614 822915785 /nfs/dbraw/zinc/91/57/85/822915785.db2.gz HPQRKIFBBWZMNA-UHFFFAOYSA-N -1 3 257.264 3.491 20 30 CGEDHM N#Cc1cc(F)ccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001242584401 823044664 /nfs/dbraw/zinc/04/46/64/823044664.db2.gz LUMKQLBOERTJQC-MNDPQUGUSA-N -1 3 266.275 3.489 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC001354864260 937115076 /nfs/dbraw/zinc/11/50/76/937115076.db2.gz DFGWZGSZUMFJAH-UHFFFAOYSA-N -1 3 282.246 3.289 20 30 CGEDHM CC(=O)c1cccc(NC(=O)c2cc(C#N)ccc2C)c1[O-] ZINC001450594254 937385854 /nfs/dbraw/zinc/38/58/54/937385854.db2.gz FRJLZSLDZVYMNF-UHFFFAOYSA-N -1 3 294.310 3.027 20 30 CGEDHM N#Cc1cscc1C(=O)Nc1ccc([O-])cc1Cl ZINC001453317872 937402283 /nfs/dbraw/zinc/40/22/83/937402283.db2.gz SQCZLXNCTIVXLO-UHFFFAOYSA-N -1 3 278.720 3.231 20 30 CGEDHM Cc1cccc(C(=O)Nc2ccc(CCC#N)cc2)c1[O-] ZINC001455937100 937423525 /nfs/dbraw/zinc/42/35/25/937423525.db2.gz CPQHYVGUTLXTOZ-UHFFFAOYSA-N -1 3 280.327 3.409 20 30 CGEDHM O=C(Cc1ccccc1O)N([O-])Cc1ccccc1Cl ZINC001458004835 937447709 /nfs/dbraw/zinc/44/77/09/937447709.db2.gz ZECPNNZHYKXYIH-UHFFFAOYSA-N -1 3 291.734 3.006 20 30 CGEDHM CCCCCCN([O-])C(=O)C1(OCC)CCCC1 ZINC001458012143 937448561 /nfs/dbraw/zinc/44/85/61/937448561.db2.gz RNSHKMYAPWUMPA-UHFFFAOYSA-N -1 3 257.374 3.134 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ccc([N+](=O)[O-])s1 ZINC001458007977 937448677 /nfs/dbraw/zinc/44/86/77/937448677.db2.gz MAUSXVHEIIRNOV-UHFFFAOYSA-N -1 3 272.326 3.068 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001458024626 937449273 /nfs/dbraw/zinc/44/92/73/937449273.db2.gz QNAGSFALLCZWCO-VHSXEESVSA-N -1 3 287.281 3.225 20 30 CGEDHM CCCCN([O-])C(=O)CCCOc1ccc(C)cc1C ZINC001458023291 937449304 /nfs/dbraw/zinc/44/93/04/937449304.db2.gz MWNMXILUAFZICP-UHFFFAOYSA-N -1 3 279.380 3.480 20 30 CGEDHM C#CC[C@@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354305 932136080 /nfs/dbraw/zinc/13/60/80/932136080.db2.gz VSLAXRDJEHFODA-MRVPVSSYSA-N -1 3 264.375 3.079 20 30 CGEDHM C=C[C@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229353955 932138252 /nfs/dbraw/zinc/13/82/52/932138252.db2.gz SWQPBIJSOABKPV-ZETCQYMHSA-N -1 3 252.364 3.242 20 30 CGEDHM C=CC[C@H](C=C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231086074 932676047 /nfs/dbraw/zinc/67/60/47/932676047.db2.gz CMJPGAMMBMGYBZ-VIFPVBQESA-N -1 3 297.738 3.127 20 30 CGEDHM C#CCCCCCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001331945556 932726294 /nfs/dbraw/zinc/72/62/94/932726294.db2.gz AGFAWOSIBMHRSB-UHFFFAOYSA-N -1 3 277.364 3.302 20 30 CGEDHM C[C@@H]1CC[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001306900244 932893228 /nfs/dbraw/zinc/89/32/28/932893228.db2.gz KZOFGVPPVNKQJA-YPMHNXCESA-N -1 3 265.328 3.370 20 30 CGEDHM CC#CCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001466460703 937709278 /nfs/dbraw/zinc/70/92/78/937709278.db2.gz ABIXAKWUAJSDMQ-UHFFFAOYSA-N -1 3 295.338 3.328 20 30 CGEDHM C=C[C@H](C)ONC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001469733503 937742796 /nfs/dbraw/zinc/74/27/96/937742796.db2.gz SZOJTGBCWFBFFU-LBPRGKRZSA-N -1 3 299.326 3.420 20 30 CGEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001472620330 937778379 /nfs/dbraw/zinc/77/83/79/937778379.db2.gz XYDZXZYUXNXJOS-DYNIEEOBSA-N -1 3 297.782 3.117 20 30 CGEDHM CCCCCCN([O-])C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC001559034443 938218969 /nfs/dbraw/zinc/21/89/69/938218969.db2.gz AGOZIEOSOHZRTG-UHFFFAOYSA-N -1 3 286.375 3.388 20 30 CGEDHM C=CCCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000382500470 971819225 /nfs/dbraw/zinc/81/92/25/971819225.db2.gz PHJDVLWFAKTQAI-UHFFFAOYSA-N -1 3 253.729 3.046 20 30 CGEDHM C=CCC[C@H](CCC)Nc1cccc(-c2nnn[n-]2)c1 ZINC001573334299 962244307 /nfs/dbraw/zinc/24/43/07/962244307.db2.gz LQOKBKAXCLAIHU-ZDUSSCGKSA-N -1 3 271.368 3.414 20 30 CGEDHM C=CCC[C@H](CCC)Nc1cccc(-c2nn[n-]n2)c1 ZINC001573334299 962244329 /nfs/dbraw/zinc/24/43/29/962244329.db2.gz LQOKBKAXCLAIHU-ZDUSSCGKSA-N -1 3 271.368 3.414 20 30 CGEDHM C=CCCC(C)(C)NC(=O)c1ccc(CC)cc1[O-] ZINC001585520474 963021500 /nfs/dbraw/zinc/02/15/00/963021500.db2.gz PWKGOCDOANABES-UHFFFAOYSA-N -1 3 261.365 3.429 20 30 CGEDHM C=CC[C@@H](CC)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001588540996 963281746 /nfs/dbraw/zinc/28/17/46/963281746.db2.gz HQCHWGMXAKKJQC-LLVKDONJSA-N -1 3 294.362 3.182 20 30 CGEDHM C=CC[C@@H](CC)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001588540996 963281752 /nfs/dbraw/zinc/28/17/52/963281752.db2.gz HQCHWGMXAKKJQC-LLVKDONJSA-N -1 3 294.362 3.182 20 30 CGEDHM C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cncc(C(=O)[O-])c1 ZINC001593203808 994190289 /nfs/dbraw/zinc/19/02/89/994190289.db2.gz HYTIVGULPOEGLW-NWDGAFQWSA-N -1 3 295.342 3.063 20 30 CGEDHM C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241100 994434249 /nfs/dbraw/zinc/43/42/49/994434249.db2.gz VWHFDCFPDKRKHQ-NSHDSACASA-N -1 3 290.363 3.071 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)CCc2ccccc2)c1[O-] ZINC000005110609 344860952 /nfs/dbraw/zinc/86/09/52/344860952.db2.gz HDMIHIHADCKVPD-MDBUFAAASA-N -1 3 298.386 3.028 20 30 CGEDHM CC(C)c1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000171145961 346203314 /nfs/dbraw/zinc/20/33/14/346203314.db2.gz JMASJALODBSKES-JTQLQIEISA-N -1 3 271.345 3.152 20 30 CGEDHM N#Cc1cccc(CCNCc2cccc([O-])c2Cl)c1 ZINC000339388185 215139218 /nfs/dbraw/zinc/13/92/18/215139218.db2.gz WOMNRCVTNKUWIJ-UHFFFAOYSA-N -1 3 286.762 3.250 20 30 CGEDHM C=C(C)C[C@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023254 348782174 /nfs/dbraw/zinc/78/21/74/348782174.db2.gz QWRZJUCWFSQGKG-LBPRGKRZSA-N -1 3 284.359 3.159 20 30 CGEDHM N#CCCSc1ccccc1[N-]C(=O)c1nccs1 ZINC000618375015 349073558 /nfs/dbraw/zinc/07/35/58/349073558.db2.gz VBADQUIBALZSKT-UHFFFAOYSA-N -1 3 289.385 3.401 20 30 CGEDHM N#CC(=C([O-])c1cc(C2CC2)[nH]c1C1CC1)c1ccncn1 ZINC000626392782 350301860 /nfs/dbraw/zinc/30/18/60/350301860.db2.gz BVMBRIGQXJHZTM-CYBMUJFWSA-N -1 3 292.342 3.050 20 30 CGEDHM C=CC[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000628488924 350556827 /nfs/dbraw/zinc/55/68/27/350556827.db2.gz LGLSRNGKKHQUDQ-ZDUSSCGKSA-N -1 3 285.387 3.309 20 30 CGEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000276212965 193244128 /nfs/dbraw/zinc/24/41/28/193244128.db2.gz LHOMIVVTPZZWJL-AWEZNQCLSA-N -1 3 283.755 3.213 20 30 CGEDHM CCSc1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000070032717 369775952 /nfs/dbraw/zinc/77/59/52/369775952.db2.gz HRTHCCDFOQSKEO-GFCCVEGCSA-N -1 3 283.356 3.079 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1cc(F)ccc1OC ZINC000292994342 372272829 /nfs/dbraw/zinc/27/28/29/372272829.db2.gz GGQKFEMXLKBPKN-VIFPVBQESA-N -1 3 287.281 3.223 20 30 CGEDHM C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc([O-])c1Cl ZINC000293189798 372321642 /nfs/dbraw/zinc/32/16/42/372321642.db2.gz HYIQHXDNWZJMMF-WFASDCNBSA-N -1 3 281.783 3.116 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000293236241 372333457 /nfs/dbraw/zinc/33/34/57/372333457.db2.gz YTCYSWXTKNYUCZ-UHFFFAOYSA-N -1 3 277.673 3.307 20 30 CGEDHM C=CCN(CC=C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000164449982 372520353 /nfs/dbraw/zinc/52/03/53/372520353.db2.gz SYMHFXAMBQQGCS-UHFFFAOYSA-N -1 3 296.370 3.371 20 30 CGEDHM CCOC(=O)[C@H](C)C/N=C/c1c([O-])ccc2ccccc21 ZINC000175899841 373535028 /nfs/dbraw/zinc/53/50/28/373535028.db2.gz JAZSVIOSXNGLOA-MBNTZHJCSA-N -1 3 285.343 3.164 20 30 CGEDHM CC1(C)CCC[C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328660465 374374866 /nfs/dbraw/zinc/37/48/66/374374866.db2.gz VKSRHXLWJZJGLJ-SNVBAGLBSA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCC[C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328660465 374374874 /nfs/dbraw/zinc/37/48/74/374374874.db2.gz VKSRHXLWJZJGLJ-SNVBAGLBSA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCC[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328660465 374374880 /nfs/dbraw/zinc/37/48/80/374374880.db2.gz VKSRHXLWJZJGLJ-SNVBAGLBSA-N -1 3 290.342 3.370 20 30 CGEDHM C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc3nn[n-]c32)[C@@H](C)C1 ZINC000328637566 374372332 /nfs/dbraw/zinc/37/23/32/374372332.db2.gz AWVDMTXEGXIGMZ-PTRXPTGYSA-N -1 3 290.342 3.226 20 30 CGEDHM C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc3[n-]nnc32)[C@@H](C)C1 ZINC000328637566 374372339 /nfs/dbraw/zinc/37/23/39/374372339.db2.gz AWVDMTXEGXIGMZ-PTRXPTGYSA-N -1 3 290.342 3.226 20 30 CGEDHM C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)[C@@H](C)C1 ZINC000328637566 374372348 /nfs/dbraw/zinc/37/23/48/374372348.db2.gz AWVDMTXEGXIGMZ-PTRXPTGYSA-N -1 3 290.342 3.226 20 30 CGEDHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000328645791 374372987 /nfs/dbraw/zinc/37/29/87/374372987.db2.gz GPFGWBUYGFQRAE-RKDXNWHRSA-N -1 3 290.342 3.226 20 30 CGEDHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000328645791 374372994 /nfs/dbraw/zinc/37/29/94/374372994.db2.gz GPFGWBUYGFQRAE-RKDXNWHRSA-N -1 3 290.342 3.226 20 30 CGEDHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328645791 374372999 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ZINC000277154419 379083749 /nfs/dbraw/zinc/08/37/49/379083749.db2.gz CTZLNEJGQKLFSF-NSHDSACASA-N -1 3 274.147 3.112 20 30 CGEDHM CC(C)c1occc1C([O-])=C(C#N)c1ccccn1 ZINC000361661029 381861997 /nfs/dbraw/zinc/86/19/97/381861997.db2.gz DIHURUXSPJEJQH-GFCCVEGCSA-N -1 3 254.289 3.288 20 30 CGEDHM CCc1oc(C([O-])=C(C#N)c2ccccn2)cc1C ZINC000162375637 262328987 /nfs/dbraw/zinc/32/89/87/262328987.db2.gz ICZFXGCFHPFFRA-NSHDSACASA-N -1 3 254.289 3.036 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/C[C@H]1CCOC1 ZINC000122267920 392421370 /nfs/dbraw/zinc/42/13/70/392421370.db2.gz VRMHZNMTABZUTQ-YXHQGMJNSA-N -1 3 255.317 3.001 20 30 CGEDHM C=CCCC[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412233996 392998648 /nfs/dbraw/zinc/99/86/48/392998648.db2.gz PIPDGMVAYDPBAO-NSHDSACASA-N -1 3 275.348 3.069 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(C)c(Cl)c1 ZINC000417615448 393350641 /nfs/dbraw/zinc/35/06/41/393350641.db2.gz XONUAUIPQMLZOH-GFCCVEGCSA-N -1 3 267.756 3.157 20 30 CGEDHM C=CC[C@@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000426796700 393452058 /nfs/dbraw/zinc/45/20/58/393452058.db2.gz CZHZFCKXZIUWQX-CQSZACIVSA-N -1 3 289.306 3.205 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)CCCC#N)c([O-])c1 ZINC000360549133 393570710 /nfs/dbraw/zinc/57/07/10/393570710.db2.gz WPYOZVZIGXGKRQ-UHFFFAOYSA-N -1 3 260.337 3.322 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cs1 ZINC000671745406 543185277 /nfs/dbraw/zinc/18/52/77/543185277.db2.gz VBVRWCMXLWSXGE-LBPRGKRZSA-N -1 3 295.367 3.433 20 30 CGEDHM CCN(C(=O)c1ccccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000124607222 287235165 /nfs/dbraw/zinc/23/51/65/287235165.db2.gz JZSBUKZXSBQTMM-CYBMUJFWSA-N -1 3 294.354 3.487 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)[nH]1 ZINC000682995611 543885295 /nfs/dbraw/zinc/88/52/95/543885295.db2.gz ZBMHUKMQPJGGFV-ZDUSSCGKSA-N -1 3 290.326 3.065 20 30 CGEDHM C=CC1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000652412641 418964974 /nfs/dbraw/zinc/96/49/74/418964974.db2.gz IKSXNSXHHZTVBS-UHFFFAOYSA-N -1 3 279.767 3.436 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000657036797 419226639 /nfs/dbraw/zinc/22/66/39/419226639.db2.gz NTGDYQPVCAXTFK-CHWSQXEVSA-N -1 3 283.393 3.001 20 30 CGEDHM C=CCCOCC/N=C/c1ccc(OCCC)cc1[O-] ZINC000154799905 261095149 /nfs/dbraw/zinc/09/51/49/261095149.db2.gz SCFMCYWAJNIUQA-GHRIWEEISA-N -1 3 277.364 3.193 20 30 CGEDHM Cc1nn(C(C)C)cc1/C=C1\Cc2c(cccc2[O-])C1=O ZINC000280896791 263064918 /nfs/dbraw/zinc/06/49/18/263064918.db2.gz DJQWPYAFMSVQAJ-KPKJPENVSA-N -1 3 282.343 3.300 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000120176740 263284100 /nfs/dbraw/zinc/28/41/00/263284100.db2.gz GJCOAVSEKGZVNS-UHFFFAOYSA-N -1 3 297.273 3.162 20 30 CGEDHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2c(C)noc2C)s1 ZINC000331124239 264131923 /nfs/dbraw/zinc/13/19/23/264131923.db2.gz QMRDXGAKKOHVOG-SECBINFHSA-N -1 3 295.364 3.400 20 30 CGEDHM CO[C@H](C)[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000331224847 264149649 /nfs/dbraw/zinc/14/96/49/264149649.db2.gz BPCAAXVTAJKPPN-WDEREUQCSA-N -1 3 265.353 3.244 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@H](C)CC(C)(C)O)c([O-])c1 ZINC000331338847 264194510 /nfs/dbraw/zinc/19/45/10/264194510.db2.gz JNKFZYNTKMYPQP-LLVKDONJSA-N -1 3 279.380 3.370 20 30 CGEDHM C=CCN(Cc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000357203561 266265182 /nfs/dbraw/zinc/26/51/82/266265182.db2.gz KUAYNMWGTQXGFE-UHFFFAOYSA-N -1 3 267.328 3.221 20 30 CGEDHM Cc1ncoc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000334809922 279178657 /nfs/dbraw/zinc/17/86/57/279178657.db2.gz BIHVCCSBMXTLFR-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM CCC[C@@H](C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000571492258 328125062 /nfs/dbraw/zinc/12/50/62/328125062.db2.gz JUUQODUUPAPYNM-HNNXBMFYSA-N -1 3 296.370 3.286 20 30 CGEDHM C[C@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000271193181 328195865 /nfs/dbraw/zinc/19/58/65/328195865.db2.gz GRBDKHZUCDAEGJ-WVVOKJQWSA-N -1 3 298.180 3.141 20 30 CGEDHM CCc1cc(C(=O)N[C@H](C#N)C2CCCCC2)ccc1[O-] ZINC000291832193 328266514 /nfs/dbraw/zinc/26/65/14/328266514.db2.gz DULCZKLFMUIDHZ-OAHLLOKOSA-N -1 3 286.375 3.157 20 30 CGEDHM O=C1OCCN1c1ccc(N=Cc2ccccc2[O-])cc1 ZINC000255567600 326994288 /nfs/dbraw/zinc/99/42/88/326994288.db2.gz GZFHRAXBRUHYRM-UHFFFAOYSA-N -1 3 282.299 3.099 20 30 CGEDHM CCO[C@H]1C[C@@H](/N=C/c2ccccc2[O-])C12CCC2 ZINC000125187037 327390786 /nfs/dbraw/zinc/39/07/86/327390786.db2.gz OFDCLTCEOLEPFB-NIRMRBTQSA-N -1 3 259.349 3.159 20 30 CGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000116905382 330361263 /nfs/dbraw/zinc/36/12/63/330361263.db2.gz DBQPFELRUJWDFF-MRVPVSSYSA-N -1 3 294.203 3.236 20 30 CGEDHM C=C[C@H](CC(=O)Nc1ccncc1[O-])c1ccccc1 ZINC000089487279 330385554 /nfs/dbraw/zinc/38/55/54/330385554.db2.gz AGPWJMTVYGCYRN-GFCCVEGCSA-N -1 3 268.316 3.086 20 30 CGEDHM C=CCC[C@H](C(=O)N=c1[nH][n-]c(CC)c1C)c1ccccc1 ZINC000429105960 330538570 /nfs/dbraw/zinc/53/85/70/330538570.db2.gz UPKNQZQEDPRZGM-HNNXBMFYSA-N -1 3 297.402 3.391 20 30 CGEDHM CCOc1cc(CN(C)CC(C)(C)C#N)cc(Cl)c1[O-] ZINC000459594926 331289933 /nfs/dbraw/zinc/28/99/33/331289933.db2.gz SEPKKQABLAGDAJ-UHFFFAOYSA-N -1 3 296.798 3.426 20 30 CGEDHM CCc1cccc(C(=O)N[C@@H](C#N)C2CCCCC2)c1[O-] ZINC000538776059 333628241 /nfs/dbraw/zinc/62/82/41/333628241.db2.gz ZWCAIEBFXISWJA-HNNXBMFYSA-N -1 3 286.375 3.157 20 30 CGEDHM C=C(C)C[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000567504186 334726612 /nfs/dbraw/zinc/72/66/12/334726612.db2.gz FHKIXMQAEQQLDL-SNVBAGLBSA-N -1 3 261.321 3.136 20 30 CGEDHM CC(C)(C)c1nnc([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000084085355 519124888 /nfs/dbraw/zinc/12/48/88/519124888.db2.gz PCWHHFHWZXNDJD-UHFFFAOYSA-N -1 3 292.389 3.021 20 30 CGEDHM CC[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329984357 529312855 /nfs/dbraw/zinc/31/28/55/529312855.db2.gz QGIUEBRLYUFKGX-BDAKNGLRSA-N -1 3 254.355 3.122 20 30 CGEDHM CC(=NNCCCc1ccccc1)c1ccccc1[O-] ZINC000729147683 571878419 /nfs/dbraw/zinc/87/84/19/571878419.db2.gz FASJPAWHSTXATG-UHFFFAOYSA-N -1 3 268.360 3.339 20 30 CGEDHM [O-]c1cccc(C=Nc2cc(F)c(F)cc2F)c1O ZINC000729150325 571879304 /nfs/dbraw/zinc/87/93/04/571879304.db2.gz UPTNXKULFFSPOV-UHFFFAOYSA-N -1 3 267.206 3.266 20 30 CGEDHM COc1cccc([O-])c1/C=N\Cc1cc(F)ccc1F ZINC000729641504 571926272 /nfs/dbraw/zinc/92/62/72/571926272.db2.gz KLSRDXLPJVPJPZ-NVMNQCDNSA-N -1 3 277.270 3.298 20 30 CGEDHM Cc1ccc(F)c2c1C(=NN[C@H](C)c1ccccc1)C(=O)[N-]2 ZINC000732712630 572479019 /nfs/dbraw/zinc/47/90/19/572479019.db2.gz MTNNLKVSUUQIFK-LLVKDONJSA-N -1 3 297.333 3.141 20 30 CGEDHM C[C@@]1(C/N=C/c2cc(Br)ccc2[O-])CCOC1 ZINC000733080764 572506927 /nfs/dbraw/zinc/50/69/27/572506927.db2.gz AIWPHILECKVBEC-FEZXJWFHSA-N -1 3 298.180 3.000 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=NNc1cnnc2ccccc21 ZINC000733748241 572601461 /nfs/dbraw/zinc/60/14/61/572601461.db2.gz MKZZWOBZFCLAAZ-UHFFFAOYSA-N -1 3 298.733 3.435 20 30 CGEDHM C[C@@H](CCc1cccn1C)/N=C\c1ccccc1[O-] ZINC000741845930 572722995 /nfs/dbraw/zinc/72/29/95/572722995.db2.gz ZNLFHNOZNTWUOY-IGWPVBGESA-N -1 3 256.349 3.171 20 30 CGEDHM CCCCCC(C=NN1CC(=O)[N-]C1=O)=Cc1ccccc1 ZINC000744807129 572777230 /nfs/dbraw/zinc/77/72/30/572777230.db2.gz LNLBOAFVOKGJHN-KVZAMRGJSA-N -1 3 299.374 3.188 20 30 CGEDHM Cc1cc(Cl)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000747707926 572942385 /nfs/dbraw/zinc/94/23/85/572942385.db2.gz QVMBPNSQUBZVPD-UHFFFAOYSA-N -1 3 290.750 3.300 20 30 CGEDHM CC[C@H](C/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000747712902 572942996 /nfs/dbraw/zinc/94/29/96/572942996.db2.gz KRYUGVVMCWFZTL-AXLWCPOOSA-N -1 3 298.386 3.201 20 30 CGEDHM CCOc1ccc(/C=N/[C@@H](C)Cc2ccncc2)c([O-])c1 ZINC000749844586 573046350 /nfs/dbraw/zinc/04/63/50/573046350.db2.gz KVFFGBAHUHOFQC-HCZVKUGISA-N -1 3 284.359 3.236 20 30 CGEDHM CCOc1ccc(/C=N\C[C@@H](C)c2ccncc2)c([O-])c1 ZINC000749846582 573047353 /nfs/dbraw/zinc/04/73/53/573047353.db2.gz YOJAFDALLCKXFA-CQLSMYGBSA-N -1 3 284.359 3.409 20 30 CGEDHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000820147749 598192380 /nfs/dbraw/zinc/19/23/80/598192380.db2.gz CBTVRWZFPZSZPB-GFCCVEGCSA-N -1 3 280.327 3.107 20 30 CGEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000827718096 601303890 /nfs/dbraw/zinc/30/38/90/601303890.db2.gz OOXVPDFUQCIIKS-LRDDRELGSA-N -1 3 280.327 3.035 20 30 CGEDHM C=C(CC)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000823883148 608298997 /nfs/dbraw/zinc/29/89/97/608298997.db2.gz JYLORRNAPKNMTR-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=C(CC)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000823883148 608298999 /nfs/dbraw/zinc/29/89/99/608298999.db2.gz JYLORRNAPKNMTR-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=CCCCN(CC)C(=O)c1cc([O-])ccc1Cl ZINC000890812412 617869132 /nfs/dbraw/zinc/86/91/32/617869132.db2.gz JOHQDPBXGVSUEQ-UHFFFAOYSA-N -1 3 267.756 3.474 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccc(Br)c1 ZINC000846541701 618090264 /nfs/dbraw/zinc/09/02/64/618090264.db2.gz LEPFPYCKUIIPCO-JTQLQIEISA-N -1 3 298.180 3.004 20 30 CGEDHM C=C[C@@H](CC(=O)[N-]OC[C@@H](C)CC)c1ccccc1 ZINC000794863277 619778272 /nfs/dbraw/zinc/77/82/72/619778272.db2.gz HNXIRIIVQKYFMT-KBPBESRZSA-N -1 3 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CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(F)ccc1[O-] ZINC000780980643 628527980 /nfs/dbraw/zinc/52/79/80/628527980.db2.gz NIOJYGFAJULWHH-CQSZACIVSA-N -1 3 296.342 3.441 20 30 CGEDHM CC(=NN[C@H]1CCCC1(C)C)c1ccc([O-])cc1F ZINC000782286228 628633760 /nfs/dbraw/zinc/63/37/60/628633760.db2.gz HETUONCPXVEPPC-AWEZNQCLSA-N -1 3 264.344 3.424 20 30 CGEDHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000794855825 629589350 /nfs/dbraw/zinc/58/93/50/629589350.db2.gz ZEKJTUHQQIRLTK-UKRRQHHQSA-N -1 3 274.364 3.168 20 30 CGEDHM C[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@H](C)O1 ZINC000864347667 629816126 /nfs/dbraw/zinc/81/61/26/629816126.db2.gz VTCFNNOBRZELBL-DBSJFUPLSA-N -1 3 253.729 3.030 20 30 CGEDHM COc1ncccc1CC/N=C/c1cc(Cl)ccc1[O-] ZINC000811625985 631093336 /nfs/dbraw/zinc/09/33/36/631093336.db2.gz ZXBGQFUKPHMYLU-LICLKQGHSA-N -1 3 290.750 3.111 20 30 CGEDHM [O-]c1c(C=NOCC(F)F)ccc2ccccc12 ZINC000814904090 631673500 /nfs/dbraw/zinc/67/35/00/631673500.db2.gz QRMWVEQCGKAGKG-UHFFFAOYSA-N -1 3 251.232 3.161 20 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C=CCN(CCC#N)Cc1c([O-])cc(C)cc1Cl ZINC000840947228 635089557 /nfs/dbraw/zinc/08/95/57/635089557.db2.gz FJIHFBDDCVZBMO-UHFFFAOYSA-N -1 3 264.756 3.256 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2ccnn2CC(C)C)ccc1[O-] ZINC000843269454 635629753 /nfs/dbraw/zinc/62/97/53/635629753.db2.gz NLBYJMDMXYXPFF-ALCCZGGFSA-N -1 3 284.359 3.449 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000846536446 636193815 /nfs/dbraw/zinc/19/38/15/636193815.db2.gz LLIKZSOGSCDQKZ-UHFFFAOYSA-N -1 3 261.365 3.151 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCc1ccc(C)s1 ZINC000846536843 636195365 /nfs/dbraw/zinc/19/53/65/636195365.db2.gz CCXYKZFZFHQMQR-UHFFFAOYSA-N -1 3 253.367 3.003 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCCOc1cc(C)ccc1C ZINC000846539611 636196509 /nfs/dbraw/zinc/19/65/09/636196509.db2.gz KBHMTKXVBCPSSQ-UHFFFAOYSA-N -1 3 291.391 3.476 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000846545963 636198398 /nfs/dbraw/zinc/19/83/98/636198398.db2.gz QZVHZAZTFOHFAV-OLZOCXBDSA-N -1 3 261.365 3.365 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCCOc1cc(C)ccc1C ZINC000846549128 636200120 /nfs/dbraw/zinc/20/01/20/636200120.db2.gz IAOGKPMCOIXLPT-HNNXBMFYSA-N -1 3 291.391 3.475 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCCCc1ccc(OC)cc1 ZINC000846549814 636200235 /nfs/dbraw/zinc/20/02/35/636200235.db2.gz KOQQGJLGJUUTOQ-AWEZNQCLSA-N -1 3 291.391 3.420 20 30 CGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccnc1 ZINC000213219328 636439893 /nfs/dbraw/zinc/43/98/93/636439893.db2.gz ZEDQQLMSRCGPSD-MDXIRLPMSA-N -1 3 269.275 3.310 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1C=CCC1 ZINC000849169437 636761916 /nfs/dbraw/zinc/76/19/16/636761916.db2.gz CLSXQIHPRDTKRI-KYJZABPNSA-N -1 3 266.138 3.292 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1COC2(CCC2)C1 ZINC000849171704 636763992 /nfs/dbraw/zinc/76/39/92/636763992.db2.gz DWQHFXGLJCVLLF-VJMCZWTHSA-N -1 3 265.740 3.176 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000856034802 638290077 /nfs/dbraw/zinc/29/00/77/638290077.db2.gz UXPNKXWBCUACST-LLVKDONJSA-N -1 3 295.766 3.173 20 30 CGEDHM C=C[C@@H](CC)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000935988581 639878253 /nfs/dbraw/zinc/87/82/53/639878253.db2.gz YRXGDNVVRZETEQ-NSHDSACASA-N -1 3 261.321 3.136 20 30 CGEDHM N#CC1(CNc2[n-]c(=O)c(Cl)cc2Cl)CCC1 ZINC001162407071 806580006 /nfs/dbraw/zinc/58/00/06/806580006.db2.gz WMZROLRNZFUAHP-UHFFFAOYSA-N -1 3 272.135 3.200 20 30 CGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cccs2)cc1 ZINC000128371283 799018993 /nfs/dbraw/zinc/01/89/93/799018993.db2.gz CHMPLQHLWQMVAR-CYBMUJFWSA-N -1 3 298.367 3.272 20 30 CGEDHM N#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)C1CCCCC1 ZINC000176579928 799100663 /nfs/dbraw/zinc/10/06/63/799100663.db2.gz DQVZKVIPRZBRGP-CQSZACIVSA-N -1 3 292.329 3.367 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1c[nH]c2ccccc12 ZINC000400817417 799550633 /nfs/dbraw/zinc/55/06/33/799550633.db2.gz BGVRPXIWQFSUSP-LBPRGKRZSA-N -1 3 272.348 3.113 20 30 CGEDHM CCCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000709943722 800023130 /nfs/dbraw/zinc/02/31/30/800023130.db2.gz QIGPWFYJFTXWNI-UHFFFAOYSA-N -1 3 267.329 3.468 20 30 CGEDHM Cc1ccc([O-])c(-c2cnc3ccc(C#N)cc3n2)c1 ZINC001244402053 803350233 /nfs/dbraw/zinc/35/02/33/803350233.db2.gz AFZDNWNDSLZMPX-UHFFFAOYSA-N -1 3 261.284 3.183 20 30 CGEDHM Cc1cc(CO)ccc1-c1cc(/C=N/[O-])ccc1F ZINC001244582910 803453333 /nfs/dbraw/zinc/45/33/33/803453333.db2.gz PWYXRLDCVLTMGH-CAOOACKPSA-N -1 3 259.280 3.102 20 30 CGEDHM CCc1cc(-c2ccc(-c3nnn[n-]3)cc2C)ccc1C#N ZINC001244954939 803590543 /nfs/dbraw/zinc/59/05/43/803590543.db2.gz XGIMYJQPYLUYQF-UHFFFAOYSA-N -1 3 289.342 3.276 20 30 CGEDHM CCc1cc(-c2ccc(-c3nn[n-]n3)cc2C)ccc1C#N ZINC001244954939 803590547 /nfs/dbraw/zinc/59/05/47/803590547.db2.gz XGIMYJQPYLUYQF-UHFFFAOYSA-N -1 3 289.342 3.276 20 30 CGEDHM C=CCNC(=O)c1cccnc1-c1ccc([O-])cc1Cl ZINC001245077694 803634259 /nfs/dbraw/zinc/63/42/59/803634259.db2.gz AWONUXQXLCAPEI-UHFFFAOYSA-N -1 3 288.734 3.023 20 30 CGEDHM COc1nccc(Nc2cc(C#N)ccc2[O-])c1Cl ZINC001211952588 814961257 /nfs/dbraw/zinc/96/12/57/814961257.db2.gz JVLYGLTXDSUQKP-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM N#CCN(Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140059180 804365418 /nfs/dbraw/zinc/36/54/18/804365418.db2.gz XJUDPJHYOIRFBM-UHFFFAOYSA-N -1 3 270.307 3.057 20 30 CGEDHM N#CCC1CN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142106108 804696829 /nfs/dbraw/zinc/69/68/29/804696829.db2.gz ZMAOYWGTPSDMAA-UHFFFAOYSA-N -1 3 271.147 3.044 20 30 CGEDHM COc1cc(C#N)c(F)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212489499 815039289 /nfs/dbraw/zinc/03/92/89/815039289.db2.gz QUZIFOGOXGQRCQ-UHFFFAOYSA-N -1 3 294.232 3.433 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccc2ccccc2c1 ZINC001144589234 805010879 /nfs/dbraw/zinc/01/08/79/805010879.db2.gz JUDIGUUVQFHAPG-CYBMUJFWSA-N -1 3 285.343 3.231 20 30 CGEDHM CCCCN(CC#N)C(=O)c1c([O-])c(C)nc2ccccc21 ZINC001149198351 805224040 /nfs/dbraw/zinc/22/40/40/805224040.db2.gz QULFZNAUKUIVGO-UHFFFAOYSA-N -1 3 297.358 3.015 20 30 CGEDHM N#Cc1cc(NC(=O)c2cc3cccc(F)c3[nH]2)ccc1[O-] ZINC001150762463 805268420 /nfs/dbraw/zinc/26/84/20/805268420.db2.gz BHIPVZMKNXPKBX-UHFFFAOYSA-N -1 3 295.273 3.137 20 30 CGEDHM N#Cc1c(F)ccc(F)c1Nc1c([O-])cccc1F ZINC001249997238 805354884 /nfs/dbraw/zinc/35/48/84/805354884.db2.gz XQOOJUKBLQLECQ-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1cc(CCCOCc2ccccc2)ccc1[O-] ZINC001250246162 805518101 /nfs/dbraw/zinc/51/81/01/805518101.db2.gz XDTHPSQTJVERMH-UHFFFAOYSA-N -1 3 267.328 3.413 20 30 CGEDHM C[Si](C)(C)C#Cc1ccc(NCc2ncccc2[O-])nc1 ZINC001169726693 807699008 /nfs/dbraw/zinc/69/90/08/807699008.db2.gz BILRHOUYZYEWLI-UHFFFAOYSA-N -1 3 297.434 3.023 20 30 CGEDHM CC#CC[C@@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC001262164703 807831841 /nfs/dbraw/zinc/83/18/41/807831841.db2.gz RRSOAEBIQSQDFS-GFCCVEGCSA-N -1 3 291.734 3.042 20 30 CGEDHM C=C(C)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC001262600643 807873089 /nfs/dbraw/zinc/87/30/89/807873089.db2.gz IIJLDGWMOOURDD-UHFFFAOYSA-N -1 3 284.153 3.450 20 30 CGEDHM CC(C)Cc1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC001263304397 807945501 /nfs/dbraw/zinc/94/55/01/807945501.db2.gz AXACEJWOCWJSCO-LLVKDONJSA-N -1 3 285.372 3.227 20 30 CGEDHM COc1cc(F)ccc1Nc1cc(C#N)ccc1[O-] ZINC001174130615 808880791 /nfs/dbraw/zinc/88/07/91/808880791.db2.gz BSFNHPDUCUEJEW-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM CC(C)(O)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001174407380 809001433 /nfs/dbraw/zinc/00/14/33/809001433.db2.gz NTJWGNFKZAUSOW-UHFFFAOYSA-N -1 3 268.316 3.235 20 30 CGEDHM N#Cc1cnc(Nc2cc(F)c([O-])c(F)c2)c(Cl)c1 ZINC001213373517 815271790 /nfs/dbraw/zinc/27/17/90/815271790.db2.gz JLUDEKYPPSOFKC-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM COc1cccc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001174994462 809231565 /nfs/dbraw/zinc/23/15/65/809231565.db2.gz QNOCMVBBMJJCHZ-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM Cc1nsc(Nc2c(F)cc([O-])cc2F)c1C#N ZINC001175095075 809268809 /nfs/dbraw/zinc/26/88/09/809268809.db2.gz ZJGNDRCIZVJKDS-UHFFFAOYSA-N -1 3 267.260 3.051 20 30 CGEDHM CC(=O)c1ccc(F)c(Nc2ccc(C#N)cc2[O-])c1 ZINC001175275860 809336070 /nfs/dbraw/zinc/33/60/70/809336070.db2.gz UKYAZOWBQGASLU-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM C=CCn1cc(Nc2ccc(C)c([O-])c2Cl)cn1 ZINC001176548633 809715240 /nfs/dbraw/zinc/71/52/40/809715240.db2.gz LPYPNAYUJUTBOX-UHFFFAOYSA-N -1 3 263.728 3.480 20 30 CGEDHM N#Cc1cn(-c2cc([O-])cc(Cl)c2)c2cc(N)ccc12 ZINC001176625151 809734580 /nfs/dbraw/zinc/73/45/80/809734580.db2.gz XNWLDTXVAXENOC-UHFFFAOYSA-N -1 3 283.718 3.443 20 30 CGEDHM C=C(C)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001180115181 809975000 /nfs/dbraw/zinc/97/50/00/809975000.db2.gz VFORAWRAGSTTSA-UHFFFAOYSA-N -1 3 269.300 3.383 20 30 CGEDHM N#Cc1cc(NC(=O)C2(C(F)(F)F)CCCC2)ccc1[O-] ZINC001180478494 810005426 /nfs/dbraw/zinc/00/54/26/810005426.db2.gz URVUMOXEUHIEAM-UHFFFAOYSA-N -1 3 298.264 3.325 20 30 CGEDHM CCCCCCC[C@H](C)C(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001181111535 810037762 /nfs/dbraw/zinc/03/77/62/810037762.db2.gz DPTPMICOJMPEGG-NSHDSACASA-N -1 3 279.384 3.426 20 30 CGEDHM C#CCCCCCCCCC(=O)Nc1ncccc1[O-] ZINC001182185754 810097557 /nfs/dbraw/zinc/09/75/57/810097557.db2.gz QEAPKHRGBSWNPA-UHFFFAOYSA-N -1 3 274.364 3.480 20 30 CGEDHM O=C(c1cccnc1F)N([O-])CCCCc1ccccc1 ZINC001184293299 810189130 /nfs/dbraw/zinc/18/91/30/810189130.db2.gz NFDQULHDPJGBTI-UHFFFAOYSA-N -1 3 288.322 3.075 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1ccccc1CC#N ZINC001184305962 810189785 /nfs/dbraw/zinc/18/97/85/810189785.db2.gz YGOBLMGRILWSQC-UHFFFAOYSA-N -1 3 274.364 3.093 20 30 CGEDHM Cc1c(Cl)cccc1NC(=O)[N-]c1oncc1C#N ZINC001184655088 810214062 /nfs/dbraw/zinc/21/40/62/810214062.db2.gz KMGZMWLYAVLARR-UHFFFAOYSA-N -1 3 276.683 3.152 20 30 CGEDHM C#Cc1ccccc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001191116401 810678786 /nfs/dbraw/zinc/67/87/86/810678786.db2.gz KMHAOHRWSMLIGF-UHFFFAOYSA-N -1 3 271.703 3.279 20 30 CGEDHM N#Cc1cc([O-])ccc1NC(=O)NCCCc1ccccc1 ZINC001191208232 810688996 /nfs/dbraw/zinc/68/89/96/810688996.db2.gz IWASOZCGKGAMDP-UHFFFAOYSA-N -1 3 295.342 3.018 20 30 CGEDHM COc1c(C)ccc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001214534613 815420128 /nfs/dbraw/zinc/42/01/28/815420128.db2.gz KJGFYUPWDNKMLH-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM N#Cc1ccc2c(c1)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203651547 812415179 /nfs/dbraw/zinc/41/51/79/812415179.db2.gz RBJSWGAQSPWKRY-UHFFFAOYSA-N -1 3 298.773 3.476 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc3n[nH]cc3c(F)c2)c1 ZINC001215555407 815532948 /nfs/dbraw/zinc/53/29/48/815532948.db2.gz JFYZIQNXZLHYJC-UHFFFAOYSA-N -1 3 268.251 3.023 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215555407 815532950 /nfs/dbraw/zinc/53/29/50/815532950.db2.gz JFYZIQNXZLHYJC-UHFFFAOYSA-N -1 3 268.251 3.023 20 30 CGEDHM N#Cc1ncc(-c2ccc([O-])cc2C(F)(F)F)cc1F ZINC001205087553 812855722 /nfs/dbraw/zinc/85/57/22/812855722.db2.gz UIGHHNWFAMGPGV-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM N#CC1(c2ccnc(-c3ccc([O-])cc3F)c2)CC1 ZINC001206044511 813179370 /nfs/dbraw/zinc/17/93/70/813179370.db2.gz PKELYOPCPFDZBK-UHFFFAOYSA-N -1 3 254.264 3.148 20 30 CGEDHM CCOC(=O)c1cc(-c2ccc([O-])cc2F)ccc1C#N ZINC001206073045 813190868 /nfs/dbraw/zinc/19/08/68/813190868.db2.gz LSSSXIYULFOHFJ-UHFFFAOYSA-N -1 3 285.274 3.247 20 30 CGEDHM COc1ccc(C#N)c(Nc2ccc(F)cc2[O-])c1 ZINC001210017250 814247266 /nfs/dbraw/zinc/24/72/66/814247266.db2.gz UZUKIDWQZHJUFS-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1ccc(F)c(F)c1Nc1cccc(F)c1[O-] ZINC001210204653 814340023 /nfs/dbraw/zinc/34/00/23/814340023.db2.gz RBMFAAWOFBASRN-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM CC(=O)c1cc(Nc2ccc([O-])c(C#N)c2)ccc1F ZINC001210532506 814512592 /nfs/dbraw/zinc/51/25/92/814512592.db2.gz JPSVUTIBPMXBFO-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc3ocnc3c2)c1 ZINC001210572133 814534945 /nfs/dbraw/zinc/53/49/45/814534945.db2.gz DWDXCHYZTYHNNY-UHFFFAOYSA-N -1 3 251.245 3.149 20 30 CGEDHM Cc1cc(-c2ccc(/C=N/[O-])c(F)c2)ccc1C#N ZINC001242767536 823126903 /nfs/dbraw/zinc/12/69/03/823126903.db2.gz BHHNEBVBWHRXFF-GIJQJNRQSA-N -1 3 254.264 3.481 20 30 CGEDHM Cc1cc(Nc2cccc(C(=O)N(C)C)c2[O-])ccc1C#N ZINC001210809023 814638552 /nfs/dbraw/zinc/63/85/52/814638552.db2.gz UXXXVCGAVBSCCL-UHFFFAOYSA-N -1 3 295.342 3.018 20 30 CGEDHM N#Cc1ncc(Nc2ccc(F)c([O-])c2)cc1Cl ZINC001211215180 814852318 /nfs/dbraw/zinc/85/23/18/814852318.db2.gz NYDCQLVHXBRMOA-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM CCc1cc(Nc2cc(C#N)ccc2[O-])ccc1N ZINC001216039857 815669106 /nfs/dbraw/zinc/66/91/06/815669106.db2.gz UCBBNTFMERLHNW-UHFFFAOYSA-N -1 3 253.305 3.152 20 30 CGEDHM Cc1cc(Nc2cc(C#N)c(C#N)cc2N)cc(Cl)c1[O-] ZINC001216086684 815688145 /nfs/dbraw/zinc/68/81/45/815688145.db2.gz DUBNCLQFJQRTKL-UHFFFAOYSA-N -1 3 298.733 3.423 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](c2ccccc2)C2CC2)[n-]1 ZINC001225467496 817061038 /nfs/dbraw/zinc/06/10/38/817061038.db2.gz RRCRQUISNICRIA-MRXNPFEDSA-N -1 3 280.327 3.497 20 30 CGEDHM Cc1ccc(OC[C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)cc1 ZINC001225469502 817062333 /nfs/dbraw/zinc/06/23/33/817062333.db2.gz LFYBKNVGUZBSMV-CYBMUJFWSA-N -1 3 298.342 3.122 20 30 CGEDHM C=CC[C@@H](Oc1nc(=O)[n-]cc1C(F)(F)F)C(C)C ZINC001225576259 817098420 /nfs/dbraw/zinc/09/84/20/817098420.db2.gz GMLQSHUJNAHEBK-SECBINFHSA-N -1 3 276.258 3.181 20 30 CGEDHM [O-]/N=C/c1cccc(O[C@@H]2CCc3ccccc3C2)c1 ZINC001226113867 817275159 /nfs/dbraw/zinc/27/51/59/817275159.db2.gz AUAWRUZSWPSWEV-YPOUMIDOSA-N -1 3 267.328 3.431 20 30 CGEDHM [O-]/N=C/c1cccc(OC2Cc3ccccc3C2)c1 ZINC001226109430 817275649 /nfs/dbraw/zinc/27/56/49/817275649.db2.gz GFMMDJNQRMBEPF-GZTJUZNOSA-N -1 3 253.301 3.041 20 30 CGEDHM CCCC(=O)[C@@H](CCC)Oc1cccc(/C=N/[O-])c1 ZINC001226114853 817276498 /nfs/dbraw/zinc/27/64/98/817276498.db2.gz RWZATOMNQRYRAR-YLQKULKDSA-N -1 3 263.337 3.411 20 30 CGEDHM C#C[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001226333273 817330981 /nfs/dbraw/zinc/33/09/81/817330981.db2.gz JGKSFLOUYUAGIG-CQSZACIVSA-N -1 3 269.256 3.054 20 30 CGEDHM CC#CC[C@@H](CC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599827 817409593 /nfs/dbraw/zinc/40/95/93/817409593.db2.gz OUPZTWNIGWENNJ-GFCCVEGCSA-N -1 3 272.300 3.069 20 30 CGEDHM CCCC(=O)[C@@H](CCC)Oc1cc(C#N)ccc1[O-] ZINC001227345111 817628388 /nfs/dbraw/zinc/62/83/88/817628388.db2.gz JYHRDLIAVSPHOW-CQSZACIVSA-N -1 3 261.321 3.181 20 30 CGEDHM N#Cc1ccc([O-])c(OC2CCN(c3ccccc3)CC2)c1 ZINC001227351282 817630787 /nfs/dbraw/zinc/63/07/87/817630787.db2.gz UJOZPOHXKPSRJY-UHFFFAOYSA-N -1 3 294.354 3.312 20 30 CGEDHM N#C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccccc1 ZINC001227587275 817677674 /nfs/dbraw/zinc/67/76/74/817677674.db2.gz QWFOEBJERCDGNE-NSHDSACASA-N -1 3 294.232 3.450 20 30 CGEDHM N#C[C@@H](Oc1ncc(Cl)cc1[O-])c1cccc(F)c1 ZINC001227982292 817772698 /nfs/dbraw/zinc/77/26/98/817772698.db2.gz AUIZXYDHIGLOJZ-GFCCVEGCSA-N -1 3 278.670 3.223 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117831 818034213 /nfs/dbraw/zinc/03/42/13/818034213.db2.gz HMYIKYMQXWPJSF-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117831 818034217 /nfs/dbraw/zinc/03/42/17/818034217.db2.gz HMYIKYMQXWPJSF-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM CCCCN(CC#N)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269375 818301034 /nfs/dbraw/zinc/30/10/34/818301034.db2.gz XROBKXVTODBESW-UHFFFAOYSA-N -1 3 282.771 3.180 20 30 CGEDHM CN(Cc1cccc(C#N)c1)Cc1cc([O-])c(F)c(F)c1 ZINC001232974225 818490777 /nfs/dbraw/zinc/49/07/77/818490777.db2.gz QZYOQNICSYVLKY-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM CC#C[C@@H](CC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233507246 818630125 /nfs/dbraw/zinc/63/01/25/818630125.db2.gz WJCCMPIWOQQOTR-MRVPVSSYSA-N -1 3 293.710 3.305 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCOc2ccccc21 ZINC001233801608 818706910 /nfs/dbraw/zinc/70/69/10/818706910.db2.gz BNHYBYBXEJWIBL-LZNAANCOSA-N -1 3 299.326 3.406 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCOc2ccccc21 ZINC001233801603 818707680 /nfs/dbraw/zinc/70/76/80/818707680.db2.gz BNHYBYBXEJWIBL-CLXYIWAZSA-N -1 3 299.326 3.406 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H]2CCc3ccccc32)c1 ZINC001234139716 818788693 /nfs/dbraw/zinc/78/86/93/818788693.db2.gz KIJUSVMUXGEMLG-MRXNPFEDSA-N -1 3 251.285 3.330 20 30 CGEDHM COc1cccc2c1[C@H](Oc1cc([O-])cc(C#N)c1)CCO2 ZINC001234144684 818791197 /nfs/dbraw/zinc/79/11/97/818791197.db2.gz SNJIDFRUHRBICS-MRXNPFEDSA-N -1 3 297.310 3.175 20 30 CGEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cccc([O-])c2C(N)=O)C1 ZINC001234148004 818792593 /nfs/dbraw/zinc/79/25/93/818792593.db2.gz ASVHJJUELZXPEM-IUODEOHRSA-N -1 3 287.359 3.171 20 30 CGEDHM N#C[C@@H]1CC[C@@H](Oc2c([O-])cc(Cl)cc2F)C1 ZINC001234448607 818858292 /nfs/dbraw/zinc/85/82/92/818858292.db2.gz VPTJVOJDOMSHJK-VXNVDRBHSA-N -1 3 255.676 3.256 20 30 CGEDHM N#C[C@H]1CC[C@@H](Oc2c([O-])cc(Cl)cc2F)C1 ZINC001234445945 818858307 /nfs/dbraw/zinc/85/83/07/818858307.db2.gz VPTJVOJDOMSHJK-IONNQARKSA-N -1 3 255.676 3.256 20 30 CGEDHM C#C[C@@H](CCC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693582 818918085 /nfs/dbraw/zinc/91/80/85/818918085.db2.gz ZNISUOXCOCPRAP-ZDUSSCGKSA-N -1 3 268.316 3.030 20 30 CGEDHM C#CC[C@@H](CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693445 818918488 /nfs/dbraw/zinc/91/84/88/818918488.db2.gz XIWFXCAQZMKDFX-CYBMUJFWSA-N -1 3 268.316 3.030 20 30 CGEDHM C=CC[C@@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234790990 818924595 /nfs/dbraw/zinc/92/45/95/818924595.db2.gz OELQCMASGRIKSY-SECBINFHSA-N -1 3 264.321 3.255 20 30 CGEDHM COc1ccc(-c2cccc(/C=N/[O-])c2)c(OC)c1 ZINC001239622434 820468966 /nfs/dbraw/zinc/46/89/66/820468966.db2.gz JSVQRFMZXOKOQC-MHWRWJLKSA-N -1 3 257.289 3.179 20 30 CGEDHM CCc1nc(OC)ccc1-c1ccccc1C=N[O-] ZINC001239779109 820597296 /nfs/dbraw/zinc/59/72/96/820597296.db2.gz MAYXZBLNYIIQGR-UHFFFAOYSA-N -1 3 256.305 3.128 20 30 CGEDHM CC(=O)Nc1ccccc1-c1ccccc1C=N[O-] ZINC001239783558 820603010 /nfs/dbraw/zinc/60/30/10/820603010.db2.gz JPRDUTHXOQWBSJ-UHFFFAOYSA-N -1 3 254.289 3.120 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3n[nH]cc3c2)c1 ZINC001240212201 820879712 /nfs/dbraw/zinc/87/97/12/820879712.db2.gz BPCHVUZMLDRRIM-REZTVBANSA-N -1 3 255.252 3.177 20 30 CGEDHM [O-]N=Cc1ccc(-c2cccc3n[nH]cc32)cc1F ZINC001240315853 820959659 /nfs/dbraw/zinc/95/96/59/820959659.db2.gz ZPZHHWLCNIYJIA-REZTVBANSA-N -1 3 255.252 3.177 20 30 CGEDHM N#Cc1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)ccc1Cl ZINC001240403880 821023820 /nfs/dbraw/zinc/02/38/20/821023820.db2.gz WVVZWCIXFXTVRD-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM N#Cc1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)ccc1Cl ZINC001240403880 821023830 /nfs/dbraw/zinc/02/38/30/821023830.db2.gz WVVZWCIXFXTVRD-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM Cc1nn(C)c2ccc(-c3cc(/C=N/[O-])ccc3F)cc12 ZINC001240463232 821074291 /nfs/dbraw/zinc/07/42/91/821074291.db2.gz NEIUDLDHKJOFDQ-GIJQJNRQSA-N -1 3 283.306 3.496 20 30 CGEDHM CNc1ncc2cc(-c3cc(/C=N/[O-])ccc3F)ccc2n1 ZINC001240601299 821181491 /nfs/dbraw/zinc/18/14/91/821181491.db2.gz FCBVEMIFBOSHDB-DNTJNYDQSA-N -1 3 296.305 3.286 20 30 CGEDHM Cn1ncc2cccc(-c3ccc(/C=N/[O-])c(F)c3)c21 ZINC001241457834 821856557 /nfs/dbraw/zinc/85/65/57/821856557.db2.gz DDYMUVWTSOVWOM-GIJQJNRQSA-N -1 3 269.279 3.188 20 30 CGEDHM COCCOc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001241751683 822123825 /nfs/dbraw/zinc/12/38/25/822123825.db2.gz NFXYJIIZXRSGIC-UHFFFAOYSA-N -1 3 271.316 3.187 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cc(F)ccc2CO)cc1 ZINC001242342828 822957011 /nfs/dbraw/zinc/95/70/11/822957011.db2.gz HYSACFASCLUXDQ-LICLKQGHSA-N -1 3 259.280 3.183 20 30 CGEDHM Cc1ccc(-c2ccc(C#N)cc2C)cc1-c1nnn[n-]1 ZINC001242475155 823005292 /nfs/dbraw/zinc/00/52/92/823005292.db2.gz KBPWXDZXLWVPSR-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1ccc(-c2ccc(C#N)cc2C)cc1-c1nn[n-]n1 ZINC001242475155 823005295 /nfs/dbraw/zinc/00/52/95/823005295.db2.gz KBPWXDZXLWVPSR-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCC1CCOCC1 ZINC001339064524 936347227 /nfs/dbraw/zinc/34/72/27/936347227.db2.gz KIUYNLRAVQOLEU-MHWRWJLKSA-N -1 3 267.756 3.281 20 30 CGEDHM N#CC(=C([O-])C1=CCCCCC1)c1cccc(F)n1 ZINC001343348506 936496231 /nfs/dbraw/zinc/49/62/31/936496231.db2.gz FCVPJTNQASCCAF-GFCCVEGCSA-N -1 3 258.296 3.287 20 30 CGEDHM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001344073743 936525436 /nfs/dbraw/zinc/52/54/36/936525436.db2.gz XUCSHIVNISRWHB-ZDUSSCGKSA-N -1 3 295.317 3.292 20 30 CGEDHM Cn1ccnc1C(C#N)=C([O-])c1ccc(C(C)(C)C)s1 ZINC001356577120 927278095 /nfs/dbraw/zinc/27/80/95/927278095.db2.gz CNAQRNXSYYTRFC-JTQLQIEISA-N -1 3 287.388 3.269 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccs1)c1cccc(F)n1 ZINC001357580062 937174802 /nfs/dbraw/zinc/17/48/02/937174802.db2.gz IBXCQWRQZVNZEW-MLRMMBSGSA-N -1 3 272.304 3.172 20 30 CGEDHM C=C(C)c1cccc(NC(=O)CCc2c(C)nc[n-]c2=O)c1 ZINC001412903800 928720327 /nfs/dbraw/zinc/72/03/27/928720327.db2.gz XGJLPRQYAQHHKF-UHFFFAOYSA-N -1 3 297.358 3.095 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ncc(C#N)cc1Cl ZINC001458012887 937448472 /nfs/dbraw/zinc/44/84/72/937448472.db2.gz YOHLFGXVXGZDPW-UHFFFAOYSA-N -1 3 281.743 3.018 20 30 CGEDHM O=C([C@H]1Cc2ccc(F)cc21)N([O-])Cc1ccc(F)cc1 ZINC001458026089 937449232 /nfs/dbraw/zinc/44/92/32/937449232.db2.gz LELWMNFAEIZCNW-HNNXBMFYSA-N -1 3 289.281 3.023 20 30 CGEDHM O=C([C@H]1CC2CCC1CC2)N([O-])Cc1ccc(F)cc1 ZINC001458021477 937449542 /nfs/dbraw/zinc/44/95/42/937449542.db2.gz AOSDDCNEISLUPS-HGMXIMQMSA-N -1 3 277.339 3.370 20 30 CGEDHM N#C[C@@H]1CC[C@@H](Oc2cccc([O-])c2Br)C1 ZINC001229139019 932103788 /nfs/dbraw/zinc/10/37/88/932103788.db2.gz DDALZSNIPVXNFJ-RKDXNWHRSA-N -1 3 282.137 3.226 20 30 CGEDHM C[C@H](C#N)Oc1ccccc1NCc1ccc([O-])c(F)c1 ZINC001461989282 937611208 /nfs/dbraw/zinc/61/12/08/937611208.db2.gz QESCBXZGBLVZMO-LLVKDONJSA-N -1 3 286.306 3.434 20 30 CGEDHM C=C(C)C[C@@H](Oc1nc(=O)[n-]c2c1SCC2)C(=C)C ZINC001230792333 932624554 /nfs/dbraw/zinc/62/45/54/932624554.db2.gz NTNKVSAAVIQZAT-LLVKDONJSA-N -1 3 278.377 3.120 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)C1CCC1 ZINC001306893910 932890947 /nfs/dbraw/zinc/89/09/47/932890947.db2.gz BYURRLOEKOKUCG-JTQLQIEISA-N -1 3 267.756 3.494 20 30 CGEDHM Cc1ncccc1CC(=O)N([O-])CCCCc1ccccc1 ZINC001306896271 932891254 /nfs/dbraw/zinc/89/12/54/932891254.db2.gz PYYQWWQAUUYMON-UHFFFAOYSA-N -1 3 298.386 3.173 20 30 CGEDHM CC[C@@H](C)[C@@H](OC)C(=O)N([O-])CCCCc1ccccc1 ZINC001306895920 932891938 /nfs/dbraw/zinc/89/19/38/932891938.db2.gz BEMWLRWDUBTZHM-GDBMZVCRSA-N -1 3 293.407 3.288 20 30 CGEDHM CCCCN([O-])C(=O)CSc1ccc(OCC)cc1 ZINC001472621394 937778398 /nfs/dbraw/zinc/77/83/98/937778398.db2.gz SJCPISRMOUJTOY-UHFFFAOYSA-N -1 3 283.393 3.195 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001472620941 937777948 /nfs/dbraw/zinc/77/79/48/937777948.db2.gz ZGMVWWVEDWIDGV-WDEREUQCSA-N -1 3 269.291 3.086 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ncsc1C1CC1 ZINC001472620970 937778481 /nfs/dbraw/zinc/77/84/81/937778481.db2.gz ARUBEKMUJMUOFE-UHFFFAOYSA-N -1 3 268.382 3.432 20 30 CGEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)oc1C ZINC001333202877 935517260 /nfs/dbraw/zinc/51/72/60/935517260.db2.gz KOAZTMUIOIMLOF-UHFFFAOYSA-N -1 3 263.268 3.067 20 30 CGEDHM C=CC(C)(C)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001337615513 936274515 /nfs/dbraw/zinc/27/45/15/936274515.db2.gz OWGIVWUZANFXFA-UHFFFAOYSA-N -1 3 275.245 3.137 20 30 CGEDHM C=CCC[C@H](NCc1ccc(Cl)cc1[O-])C(=O)OCC ZINC001474528589 937865002 /nfs/dbraw/zinc/86/50/02/937865002.db2.gz QZIMHWDOOVIMGK-ZDUSSCGKSA-N -1 3 297.782 3.033 20 30 CGEDHM Cc1nc2cc(C([O-])=C(C#N)c3cccc(F)n3)ccc2o1 ZINC001524733954 938045280 /nfs/dbraw/zinc/04/52/80/938045280.db2.gz MKUKTQAUZPSFHQ-NSHDSACASA-N -1 3 295.273 3.160 20 30 CGEDHM O=C(C#Cc1cccs1)Nc1c([O-])cccc1Cl ZINC001556785478 938205642 /nfs/dbraw/zinc/20/56/42/938205642.db2.gz VWQUCRPMVSEWHJ-UHFFFAOYSA-N -1 3 277.732 3.097 20 30 CGEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1[O-] ZINC001557130402 938208034 /nfs/dbraw/zinc/20/80/34/938208034.db2.gz YIWRSBIUISHGIT-LBPRGKRZSA-N -1 3 280.327 3.097 20 30 CGEDHM O=C(c1cccc(F)n1)N([O-])Cc1cccc2ccccc21 ZINC001559036540 938219301 /nfs/dbraw/zinc/21/93/01/938219301.db2.gz MZTQLAXKOWADOS-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM CC[C@@H]1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001559037251 938219327 /nfs/dbraw/zinc/21/93/27/938219327.db2.gz OZYFDIWRERKMNN-TZMCWYRMSA-N -1 3 265.328 3.370 20 30 CGEDHM C=CCN(CC=C)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001573369110 963092297 /nfs/dbraw/zinc/09/22/97/963092297.db2.gz WZOAKNVHHOEYGO-UHFFFAOYSA-N -1 3 270.332 3.040 20 30 CGEDHM C=CCCCCCCCNc1ncccc1-c1nnn[n-]1 ZINC001588593323 963282120 /nfs/dbraw/zinc/28/21/20/963282120.db2.gz BYZLATQMLPHUCT-UHFFFAOYSA-N -1 3 286.383 3.200 20 30 CGEDHM C=CCCCCCCCNc1ncccc1-c1nn[n-]n1 ZINC001588593323 963282129 /nfs/dbraw/zinc/28/21/29/963282129.db2.gz BYZLATQMLPHUCT-UHFFFAOYSA-N -1 3 286.383 3.200 20 30 CGEDHM C=CCCCCSc1ccccc1-c1nnn[n-]1 ZINC001588601661 963289797 /nfs/dbraw/zinc/28/97/97/963289797.db2.gz RNURRZLRKNOTBK-UHFFFAOYSA-N -1 3 260.366 3.315 20 30 CGEDHM C=CCCCCSc1ccccc1-c1nn[n-]n1 ZINC001588601661 963289807 /nfs/dbraw/zinc/28/98/07/963289807.db2.gz RNURRZLRKNOTBK-UHFFFAOYSA-N -1 3 260.366 3.315 20 30 CGEDHM C=CCCCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001588802317 963319407 /nfs/dbraw/zinc/31/94/07/963319407.db2.gz HEZVIYUUDUTIGC-LLVKDONJSA-N -1 3 263.337 3.097 20 30 CGEDHM C=CCCN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001588805949 963322506 /nfs/dbraw/zinc/32/25/06/963322506.db2.gz VQDGHHVMVRTDIT-UHFFFAOYSA-N -1 3 253.729 3.046 20 30 CGEDHM CCOc1cc(CN2CC[C@](C)(C#N)C2)cc(Cl)c1[O-] ZINC000597229495 347558589 /nfs/dbraw/zinc/55/85/89/347558589.db2.gz BFRLNKPBWSJAKX-OAHLLOKOSA-N -1 3 294.782 3.180 20 30 CGEDHM C=CCC1(NC(=O)c2ccc(C(C)=O)c([O-])c2)CCCC1 ZINC000619110327 349205210 /nfs/dbraw/zinc/20/52/10/349205210.db2.gz IEOMUBSLPFYNIB-UHFFFAOYSA-N -1 3 287.359 3.214 20 30 CGEDHM C=CCN(C(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000271353141 191089544 /nfs/dbraw/zinc/08/95/44/191089544.db2.gz FGELEEGMALYMTI-UHFFFAOYSA-N -1 3 271.360 3.062 20 30 CGEDHM C=CCCC(C)(C)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000633964524 351407092 /nfs/dbraw/zinc/40/70/92/351407092.db2.gz CPFYADJPUYCGKM-UHFFFAOYSA-N -1 3 277.364 3.123 20 30 CGEDHM Cc1csc([N-]C(=O)c2cccc(F)c2F)c1C#N ZINC000336389817 213246525 /nfs/dbraw/zinc/24/65/25/213246525.db2.gz WXHBBSCWRNOMCF-UHFFFAOYSA-N -1 3 278.283 3.459 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2ccsc2Cl)o1 ZINC000335958450 283134152 /nfs/dbraw/zinc/13/41/52/283134152.db2.gz FUUNXKQQFALGGD-UHFFFAOYSA-N -1 3 252.682 3.118 20 30 CGEDHM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000451735159 240349837 /nfs/dbraw/zinc/34/98/37/240349837.db2.gz CMVFZVTWEJFZFM-LLVKDONJSA-N -1 3 298.433 3.033 20 30 CGEDHM C=CCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178021560 189086474 /nfs/dbraw/zinc/08/64/74/189086474.db2.gz CJCDIMNEUUVAEN-UHFFFAOYSA-N -1 3 298.180 3.127 20 30 CGEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(CC)cc1[O-] ZINC000276067726 193203597 /nfs/dbraw/zinc/20/35/97/193203597.db2.gz CWHSIRVTOPXPGO-UHFFFAOYSA-N -1 3 287.281 3.145 20 30 CGEDHM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1ccccn1 ZINC000046439736 369294053 /nfs/dbraw/zinc/29/40/53/369294053.db2.gz OBDOWEKORKXEIS-GFCCVEGCSA-N -1 3 288.253 3.173 20 30 CGEDHM N#CCCSc1ccccc1[N-]C(=O)c1cscn1 ZINC000108201296 370357777 /nfs/dbraw/zinc/35/77/77/370357777.db2.gz RZUYBXKXOSCGRX-UHFFFAOYSA-N -1 3 289.385 3.401 20 30 CGEDHM C=CCCC[C@H](C)Sc1ncc(C(=O)OC)[n-]1 ZINC000432669858 372571694 /nfs/dbraw/zinc/57/16/94/372571694.db2.gz MYLDYPCDZAFIRF-VIFPVBQESA-N -1 3 254.355 3.033 20 30 CGEDHM CCc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)c([O-])c1 ZINC000436827273 372840657 /nfs/dbraw/zinc/84/06/57/372840657.db2.gz DANYRNRGBMZQGW-OAHLLOKOSA-N -1 3 286.375 3.157 20 30 CGEDHM C=CC(C)(C)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000296708328 373224822 /nfs/dbraw/zinc/22/48/22/373224822.db2.gz IBJYTQMUXXKDOW-UHFFFAOYSA-N -1 3 274.320 3.305 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)ns1 ZINC000447511960 373440980 /nfs/dbraw/zinc/44/09/80/373440980.db2.gz WGUZTSKAKXODIF-JTQLQIEISA-N -1 3 296.355 3.126 20 30 CGEDHM CC[C@@H](C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179503070 373881299 /nfs/dbraw/zinc/88/12/99/373881299.db2.gz ALEWCCHNKZPGJG-LBPRGKRZSA-N -1 3 296.326 3.216 20 30 CGEDHM CC[C@H](C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179503080 373881625 /nfs/dbraw/zinc/88/16/25/373881625.db2.gz ALEWCCHNKZPGJG-GFCCVEGCSA-N -1 3 296.326 3.216 20 30 CGEDHM CCCN(CC#N)Cc1cc(Cl)cc(C)c1[O-] ZINC000179828721 373922205 /nfs/dbraw/zinc/92/22/05/373922205.db2.gz SBBAEMBHUDHLKW-UHFFFAOYSA-N -1 3 252.745 3.090 20 30 CGEDHM O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1csc(=O)[n-]1 ZINC000329337041 374404896 /nfs/dbraw/zinc/40/48/96/374404896.db2.gz MGTHUZUAEMGZMT-QWRGUYRKSA-N -1 3 280.393 3.370 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2cnns2)c([O-])c1 ZINC000330386790 374457261 /nfs/dbraw/zinc/45/72/61/374457261.db2.gz BLWDBUPLUFYANW-UHFFFAOYSA-N -1 3 277.349 3.178 20 30 CGEDHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CCO[C@H]2C(C)C)c1 ZINC000330604923 374482915 /nfs/dbraw/zinc/48/29/15/374482915.db2.gz LUUHEQNOLSKISY-BBRMVZONSA-N -1 3 291.391 3.320 20 30 CGEDHM Cc1scc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1C ZINC000330644960 374486584 /nfs/dbraw/zinc/48/65/84/374486584.db2.gz IERPWZQJDHEZCX-LBPRGKRZSA-N -1 3 285.372 3.262 20 30 CGEDHM C=C(C)CO[N-]C(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000493267095 375466857 /nfs/dbraw/zinc/46/68/57/375466857.db2.gz NYSZIRHNSJFJJX-VAFIWLDWSA-N -1 3 261.321 3.040 20 30 CGEDHM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000192195704 375710460 /nfs/dbraw/zinc/71/04/60/375710460.db2.gz GFVMZQMUNMSNTK-CQSZACIVSA-N -1 3 295.342 3.064 20 30 CGEDHM C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000336269417 375768167 /nfs/dbraw/zinc/76/81/67/375768167.db2.gz VOGGARGLAAILAR-HWPZZCPQSA-N -1 3 272.348 3.178 20 30 CGEDHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc(C#N)cc1 ZINC000223095876 376246036 /nfs/dbraw/zinc/24/60/36/376246036.db2.gz LGNCUSUWGQAERS-NSHDSACASA-N -1 3 270.307 3.254 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2cc[nH]c2C2CCC2)nc(C)n1 ZINC000565070542 377484150 /nfs/dbraw/zinc/48/41/50/377484150.db2.gz VBQFCFLIWXAYOF-CQSZACIVSA-N -1 3 294.358 3.179 20 30 CGEDHM C=CCCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362264721 381923220 /nfs/dbraw/zinc/92/32/20/381923220.db2.gz YXMKQDZLCOHZJR-UHFFFAOYSA-N -1 3 282.303 3.123 20 30 CGEDHM C=CCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362264721 381923223 /nfs/dbraw/zinc/92/32/23/381923223.db2.gz YXMKQDZLCOHZJR-UHFFFAOYSA-N -1 3 282.303 3.123 20 30 CGEDHM C=CCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362264721 381923226 /nfs/dbraw/zinc/92/32/26/381923226.db2.gz YXMKQDZLCOHZJR-UHFFFAOYSA-N -1 3 282.303 3.123 20 30 CGEDHM C=CCCO[C@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979401 260021085 /nfs/dbraw/zinc/02/10/85/260021085.db2.gz NEENZJAROYEBTF-SNVBAGLBSA-N -1 3 283.755 3.274 20 30 CGEDHM C=CCN(C(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000355514861 542566903 /nfs/dbraw/zinc/56/69/03/542566903.db2.gz QCCXCULDYZUOJS-UHFFFAOYSA-N -1 3 267.328 3.336 20 30 CGEDHM C=CCCN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000284917188 392315378 /nfs/dbraw/zinc/31/53/78/392315378.db2.gz HLRJANCGJFHEMW-UHFFFAOYSA-N -1 3 293.750 3.160 20 30 CGEDHM Cc1c[nH]cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000338146707 392898853 /nfs/dbraw/zinc/89/88/53/392898853.db2.gz HXTKOCKAFNNQLK-JTQLQIEISA-N -1 3 293.248 3.227 20 30 CGEDHM COc1cc(-c2noc(-c3ccc(C#N)s3)n2)ccc1[O-] ZINC000226760676 393016157 /nfs/dbraw/zinc/01/61/57/393016157.db2.gz ZVIPHCOJWWBKLQ-UHFFFAOYSA-N -1 3 299.311 3.051 20 30 CGEDHM COc1cccc(N2CC[C@H](/N=C/c3ccccc3[O-])C2)c1 ZINC000263956048 393155378 /nfs/dbraw/zinc/15/53/78/393155378.db2.gz HQOLTNNRZGAWNT-UZUMKDMXSA-N -1 3 296.370 3.099 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1c(C)oc2ccccc21 ZINC000417622511 393350506 /nfs/dbraw/zinc/35/05/06/393350506.db2.gz HFOJOKGMPNGAQJ-LBPRGKRZSA-N -1 3 273.332 3.250 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(C)ccc1OC(F)F ZINC000417617232 393351069 /nfs/dbraw/zinc/35/10/69/393351069.db2.gz ZYNHDOCQNXZOCM-LBPRGKRZSA-N -1 3 299.317 3.105 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1cc2cc(F)ccc2o1 ZINC000417629269 393351178 /nfs/dbraw/zinc/35/11/78/393351178.db2.gz SEPOUBJQJKXZAM-GFCCVEGCSA-N -1 3 277.295 3.081 20 30 CGEDHM CCC(CC)NN=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000734364733 572648747 /nfs/dbraw/zinc/64/87/47/572648747.db2.gz CXUBJLSAQSGAAE-UHFFFAOYSA-N -1 3 270.760 3.166 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)c(C)s1 ZINC000047831658 397635043 /nfs/dbraw/zinc/63/50/43/397635043.db2.gz YGGGXLCKPAZHOD-GFCCVEGCSA-N -1 3 256.330 3.250 20 30 CGEDHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCOCC1 ZINC000330230381 228073851 /nfs/dbraw/zinc/07/38/51/228073851.db2.gz QNLXQONUCXYAAZ-VIFPVBQESA-N -1 3 269.728 3.450 20 30 CGEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc([O-])c(C)c1 ZINC000272418666 263004061 /nfs/dbraw/zinc/00/40/61/263004061.db2.gz JTNWYUUSSZEEBR-UHFFFAOYSA-N -1 3 288.391 3.493 20 30 CGEDHM Cc1ccc(N2CCOCC2)cc1/N=C/c1ccccc1[O-] ZINC000280344644 263060608 /nfs/dbraw/zinc/06/06/08/263060608.db2.gz HIKACFASGLVNOM-CPNJWEJPSA-N -1 3 296.370 3.288 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCCCO1 ZINC000299202593 263234980 /nfs/dbraw/zinc/23/49/80/263234980.db2.gz ARRRMNWPNNUKJL-AZZDOICSSA-N -1 3 298.180 3.143 20 30 CGEDHM Cc1noc(C)c1[N-]C(=O)c1c(C)noc1C(C)C ZINC000330485283 263949672 /nfs/dbraw/zinc/94/96/72/263949672.db2.gz ASXQMFHMWMFJFW-UHFFFAOYSA-N -1 3 263.297 3.348 20 30 CGEDHM CC(=O)c1ccc(C(=O)NC[C@]2(C)CCCS2)cc1[O-] ZINC000331233588 264173792 /nfs/dbraw/zinc/17/37/92/264173792.db2.gz JYWAYPYJMNXFQR-HNNXBMFYSA-N -1 3 293.388 3.185 20 30 CGEDHM N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1ccccn1 ZINC000161936436 264302374 /nfs/dbraw/zinc/30/23/74/264302374.db2.gz BFCVGXKFIJOGDQ-JTQLQIEISA-N -1 3 274.682 3.364 20 30 CGEDHM CC[C@@H](C)n1nc([N-]c2ccc(C#N)cc2[N+](=O)[O-])cc1C ZINC000540491945 288657569 /nfs/dbraw/zinc/65/75/69/288657569.db2.gz PJYNHJCSEIPBMH-SNVBAGLBSA-N -1 3 299.334 3.108 20 30 CGEDHM COc1cc(-c2noc(C3(C#N)CCCCC3)n2)ccc1[O-] ZINC000267142679 328173242 /nfs/dbraw/zinc/17/32/42/328173242.db2.gz YIMMMSYFBQOVLA-UHFFFAOYSA-N -1 3 299.330 3.176 20 30 CGEDHM CCc1ccc(C(=O)N2CCC(CCC#N)CC2)c([O-])c1 ZINC000584055212 326909589 /nfs/dbraw/zinc/90/95/89/326909589.db2.gz VOSYOAJXMPZKRV-UHFFFAOYSA-N -1 3 286.375 3.111 20 30 CGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000398164220 329436642 /nfs/dbraw/zinc/43/66/42/329436642.db2.gz WXFDILUCUBEKKQ-LBPRGKRZSA-N -1 3 285.384 3.157 20 30 CGEDHM N#CC(=C([O-])c1nccc2ccccc21)c1ccccn1 ZINC000073088467 329860053 /nfs/dbraw/zinc/86/00/53/329860053.db2.gz MPEOMBAZIPFVLF-CQSZACIVSA-N -1 3 273.295 3.120 20 30 CGEDHM COc1cc(C)cc(C(=O)Nc2ccc(CC#N)cc2)c1[O-] ZINC000106456608 330338426 /nfs/dbraw/zinc/33/84/26/330338426.db2.gz CEAHDAUWHCDIDS-UHFFFAOYSA-N -1 3 296.326 3.028 20 30 CGEDHM COc1ccc2occ(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000442079339 330773772 /nfs/dbraw/zinc/77/37/72/330773772.db2.gz AURVQANGAXIMJR-ZDUSSCGKSA-N -1 3 292.294 3.326 20 30 CGEDHM N#CCc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000236557921 333373691 /nfs/dbraw/zinc/37/36/91/333373691.db2.gz NEEBIKDQZMBBOM-UHFFFAOYSA-N -1 3 286.718 3.364 20 30 CGEDHM C=CCCCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000077108148 334095647 /nfs/dbraw/zinc/09/56/47/334095647.db2.gz KMHPMBAOVJRWJD-UHFFFAOYSA-N -1 3 289.375 3.144 20 30 CGEDHM Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c([O-])c1C ZINC000079790808 334162537 /nfs/dbraw/zinc/16/25/37/334162537.db2.gz GQFOMDGBYQBHAY-UHFFFAOYSA-N -1 3 280.327 3.327 20 30 CGEDHM C=CCCCCCN(C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192600090 335281310 /nfs/dbraw/zinc/28/13/10/335281310.db2.gz PQVKLRYDULVQJO-ZDUSSCGKSA-N -1 3 263.385 3.230 20 30 CGEDHM CCCc1cc(C(=O)[N-]c2sc(C)c(C)c2C#N)no1 ZINC000459841012 535396434 /nfs/dbraw/zinc/39/64/34/535396434.db2.gz AIPBHUHLKCPICG-UHFFFAOYSA-N -1 3 289.360 3.429 20 30 CGEDHM COC[C@H](/N=C/c1c([O-])cccc1OC)c1ccccc1 ZINC000727062192 571710897 /nfs/dbraw/zinc/71/08/97/571710897.db2.gz VCQLDAUJVGNQAH-LZNAANCOSA-N -1 3 285.343 3.207 20 30 CGEDHM C[C@@H](/N=C/c1ccccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226236 571796376 /nfs/dbraw/zinc/79/63/76/571796376.db2.gz KRENBTNXWJTQHX-ZGXHQARYSA-N -1 3 294.354 3.091 20 30 CGEDHM CN(Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737450783 572344856 /nfs/dbraw/zinc/34/48/56/572344856.db2.gz CAQHGJAISDAJOY-UHFFFAOYSA-N -1 3 298.317 3.028 20 30 CGEDHM COc1cccc([O-])c1/C=N\CCc1ccc(C)c(OC)c1 ZINC000741164898 572485799 /nfs/dbraw/zinc/48/57/99/572485799.db2.gz CPNHFJYSXBWTFP-UNOMPAQXSA-N -1 3 299.370 3.379 20 30 CGEDHM COc1cccc(C[C@@H](C)/N=C/c2ccccc2[O-])c1 ZINC000732926397 572494041 /nfs/dbraw/zinc/49/40/41/572494041.db2.gz OJCCCDGWGROZHI-RNEAKCBISA-N -1 3 269.344 3.451 20 30 CGEDHM CO[C@H](C)CC/N=C/c1c([O-])ccc2ccccc21 ZINC000726428476 572576775 /nfs/dbraw/zinc/57/67/75/572576775.db2.gz BKOMIGNHNJOTDO-PBSOMRJOSA-N -1 3 257.333 3.389 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/CCOC1CCC1 ZINC000743045005 572635662 /nfs/dbraw/zinc/63/56/62/572635662.db2.gz WDZSAPIKOQYPFW-OQLLNIDSSA-N -1 3 298.180 3.143 20 30 CGEDHM COc1cccc([O-])c1/C=N/Cc1c(C)cccc1F ZINC000743043085 572635924 /nfs/dbraw/zinc/63/59/24/572635924.db2.gz RAIPYXWGDSDIFS-VCHYOVAHSA-N -1 3 273.307 3.467 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N\[C@H]1CCSC1 ZINC000743043807 572636123 /nfs/dbraw/zinc/63/61/23/572636123.db2.gz AMRMQAVPZXAIFT-PFSWGADMSA-N -1 3 257.358 3.470 20 30 CGEDHM Cc1ccccc1CC(C)N=Nc1cn[n-]c(=O)c1Cl ZINC000743433481 572660307 /nfs/dbraw/zinc/66/03/07/572660307.db2.gz HRLGCHVGVQHGPE-UHFFFAOYSA-N -1 3 290.754 3.175 20 30 CGEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000736239410 572775533 /nfs/dbraw/zinc/77/55/33/572775533.db2.gz XLZQVKBQNVBIAS-UHFFFAOYSA-N -1 3 280.101 3.301 20 30 CGEDHM CC[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000736920298 572825083 /nfs/dbraw/zinc/82/50/83/572825083.db2.gz QOHYCVPGDFLTKR-DLBZAZTESA-N -1 3 294.354 3.425 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/Cc1ccon1 ZINC000747864541 572952084 /nfs/dbraw/zinc/95/20/84/572952084.db2.gz OOTXMVQUVDRFBY-MHWRWJLKSA-N -1 3 252.273 3.153 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCCSC1 ZINC000749008242 572988145 /nfs/dbraw/zinc/98/81/45/572988145.db2.gz SRPIEAYIJHLRGU-ODYDIQAQSA-N -1 3 255.770 3.360 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H](C)c1ncc(C)s1 ZINC000749931169 573062168 /nfs/dbraw/zinc/06/21/68/573062168.db2.gz RBSQTPQJEDDYNS-SOOGHKCXSA-N -1 3 276.361 3.346 20 30 CGEDHM CCOc1ccc(/C=N/CC2CCC(OC)CC2)c([O-])c1 ZINC000749932155 573062632 /nfs/dbraw/zinc/06/26/32/573062632.db2.gz ZWNUIHMCTIWLRO-LDADJPATSA-N -1 3 291.391 3.415 20 30 CGEDHM C=CC[C@H](NC(=O)c1cc(C)ccc1[O-])c1ccncc1 ZINC000750191316 573099297 /nfs/dbraw/zinc/09/92/97/573099297.db2.gz VVAOCBZTUBMPOI-HNNXBMFYSA-N -1 3 282.343 3.143 20 30 CGEDHM CC(C)[C@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824213402 607652779 /nfs/dbraw/zinc/65/27/79/607652779.db2.gz AQIIGBXWPTUUEX-CYBMUJFWSA-N -1 3 284.367 3.091 20 30 CGEDHM CC(C)[C@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824213402 607652780 /nfs/dbraw/zinc/65/27/80/607652780.db2.gz AQIIGBXWPTUUEX-CYBMUJFWSA-N -1 3 284.367 3.091 20 30 CGEDHM C=CCN(CCc1ccco1)Cc1ccc(C(=O)[O-])s1 ZINC000833374425 605477361 /nfs/dbraw/zinc/47/73/61/605477361.db2.gz ISJCOSBDSVPYKL-UHFFFAOYSA-N -1 3 291.372 3.270 20 30 CGEDHM N#Cc1ccccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000822842501 606326427 /nfs/dbraw/zinc/32/64/27/606326427.db2.gz LFEQSPNQZJBDGV-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1ccccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000822842501 606326428 /nfs/dbraw/zinc/32/64/28/606326428.db2.gz LFEQSPNQZJBDGV-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM Cc1ccc(F)c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000900094733 620761342 /nfs/dbraw/zinc/76/13/42/620761342.db2.gz RFBUAYXCEIYEED-UHFFFAOYSA-N -1 3 277.270 3.305 20 30 CGEDHM Cc1cc(F)cc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000900096086 620762043 /nfs/dbraw/zinc/76/20/43/620762043.db2.gz QQWTYVUDQRQICX-UHFFFAOYSA-N -1 3 277.270 3.305 20 30 CGEDHM Cc1cc([O-])c(C=NNC[C@H]2CCSC2)c(Cl)c1 ZINC000841639048 618759839 /nfs/dbraw/zinc/75/98/39/618759839.db2.gz JKZRWJIMEQXBFF-SNVBAGLBSA-N -1 3 284.812 3.031 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000255643991 618771112 /nfs/dbraw/zinc/77/11/12/618771112.db2.gz UDFKFLZZRRNTOW-MJMASDAKSA-N -1 3 291.778 3.422 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCC[C@@H]1CCOC1 ZINC000840711832 620139776 /nfs/dbraw/zinc/13/97/76/620139776.db2.gz ZETSFVPYEQOMMK-WIWNTQSISA-N -1 3 267.756 3.281 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCC[C@H]1CCOC1 ZINC000840711829 620140163 /nfs/dbraw/zinc/14/01/63/620140163.db2.gz ZETSFVPYEQOMMK-UJFYRASASA-N -1 3 267.756 3.281 20 30 CGEDHM C[C@@H]1CCC[C@@H](OCC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901371987 620866190 /nfs/dbraw/zinc/86/61/90/620866190.db2.gz LSWNLUGLKTUUNG-IUODEOHRSA-N -1 3 295.354 3.139 20 30 CGEDHM O=C(c1ccc(CF)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901371433 620866263 /nfs/dbraw/zinc/86/62/63/620866263.db2.gz BULPJMJVPIQOCA-UHFFFAOYSA-N -1 3 277.270 3.327 20 30 CGEDHM C[C@H]1CCC[C@H](OCC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901371989 620866413 /nfs/dbraw/zinc/86/64/13/620866413.db2.gz LSWNLUGLKTUUNG-WFASDCNBSA-N -1 3 295.354 3.139 20 30 CGEDHM O=C(c1ccc(C(F)F)o1)N([O-])Cc1ccc(F)cc1 ZINC000901372410 620867316 /nfs/dbraw/zinc/86/73/16/620867316.db2.gz YLNJPODBZLIFOV-UHFFFAOYSA-N -1 3 285.221 3.388 20 30 CGEDHM O=C(C[C@H]1CCC2(CCC2)O1)N([O-])Cc1ccc(F)cc1 ZINC000901372790 620867481 /nfs/dbraw/zinc/86/74/81/620867481.db2.gz MLMNDDWVWMIACY-CQSZACIVSA-N -1 3 293.338 3.035 20 30 CGEDHM O=C(c1coc(C(F)F)c1)N([O-])Cc1ccc(F)cc1 ZINC000901373022 620867578 /nfs/dbraw/zinc/86/75/78/620867578.db2.gz RIKOPHSTQCSUSJ-UHFFFAOYSA-N -1 3 285.221 3.388 20 30 CGEDHM C=CC[C@@H]1CC[C@@H](N[C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC000901908202 621066422 /nfs/dbraw/zinc/06/64/22/621066422.db2.gz QNEUNKRETFCFFB-GMTAPVOTSA-N -1 3 280.393 3.237 20 30 CGEDHM CC(C)(C)c1nsc([N-]C(=O)c2ccsc2C#N)n1 ZINC000903104835 621576629 /nfs/dbraw/zinc/57/66/29/621576629.db2.gz LYBFCOCHLGGYOJ-UHFFFAOYSA-N -1 3 292.389 3.021 20 30 CGEDHM O=C(CC[C@@H]1CCCO1)N([O-])Cc1ccccc1Cl ZINC000904187109 621882839 /nfs/dbraw/zinc/88/28/39/621882839.db2.gz FVJFIOCBBQGWJG-LBPRGKRZSA-N -1 3 283.755 3.017 20 30 CGEDHM CC(C)(C)c1nc(C(=O)N([O-])Cc2ccc(F)cc2)co1 ZINC000904178216 621885561 /nfs/dbraw/zinc/88/55/61/621885561.db2.gz CGFLWDQPLZWYCK-UHFFFAOYSA-N -1 3 292.310 3.143 20 30 CGEDHM N#C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC12CCCC2 ZINC000904177780 621885763 /nfs/dbraw/zinc/88/57/63/621885763.db2.gz NXWXVYUTFPQLAI-INIZCTEOSA-N -1 3 288.322 3.018 20 30 CGEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000904192157 621887328 /nfs/dbraw/zinc/88/73/28/621887328.db2.gz BZXDMAKPRBZNGT-FZMZJTMJSA-N -1 3 297.782 3.263 20 30 CGEDHM O=C(CC[C@@H]1CCOC1)N([O-])CCCCc1ccccc1 ZINC000904197096 621888181 /nfs/dbraw/zinc/88/81/81/621888181.db2.gz RCYMEPUAYVIXJE-MRXNPFEDSA-N -1 3 291.391 3.044 20 30 CGEDHM CCCCCCN([O-])C(=O)CSCc1ccccn1 ZINC000904205301 621889482 /nfs/dbraw/zinc/88/94/82/621889482.db2.gz GOOAOGBFPGEILB-UHFFFAOYSA-N -1 3 282.409 3.113 20 30 CGEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc([O-])cc1Cl ZINC000905462790 622078336 /nfs/dbraw/zinc/07/83/36/622078336.db2.gz VNEOJPQMFBRSOI-NSHDSACASA-N -1 3 296.798 3.317 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)C1CCCCC1 ZINC000067952247 624664061 /nfs/dbraw/zinc/66/40/61/624664061.db2.gz KEANEENZAWONSA-ZUZCKIMGSA-N -1 3 281.783 3.406 20 30 CGEDHM C[C@]1(C#N)CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000753586827 626457070 /nfs/dbraw/zinc/45/70/70/626457070.db2.gz JTAGQIZMDGMZID-CQSZACIVSA-N -1 3 264.756 3.171 20 30 CGEDHM [O-]c1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1F ZINC000755737954 626641025 /nfs/dbraw/zinc/64/10/25/626641025.db2.gz COQAKJGXHTWVSU-UHFFFAOYSA-N -1 3 299.227 3.391 20 30 CGEDHM Cc1ccc(F)c(NN=Cc2ccc([O-])c(F)c2)c1 ZINC000755773113 626645658 /nfs/dbraw/zinc/64/56/58/626645658.db2.gz QVYZHWQGHNPAKL-UHFFFAOYSA-N -1 3 262.259 3.425 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2ccc3c(c2)ncn3C)ccc1[O-] ZINC000761201649 627024951 /nfs/dbraw/zinc/02/49/51/627024951.db2.gz WUPYJUMTDHSZMS-DAXSKMNVSA-N -1 3 292.338 3.483 20 30 CGEDHM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1sccc1[O-] ZINC000790308683 627055611 /nfs/dbraw/zinc/05/56/11/627055611.db2.gz KVICOJHIPAABKU-UHFFFAOYSA-N -1 3 295.295 3.337 20 30 CGEDHM C#CCCc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000761999528 627079217 /nfs/dbraw/zinc/07/92/17/627079217.db2.gz OSVOWQXRGDQIGV-UHFFFAOYSA-N -1 3 264.284 3.161 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc(C#N)c(C)c2)ccc1[O-] ZINC000766488639 627336881 /nfs/dbraw/zinc/33/68/81/627336881.db2.gz ARUHHJHOXFMFGB-DAXSKMNVSA-N -1 3 293.322 3.477 20 30 CGEDHM CCc1cccc(C(=O)Nc2cccc(OCC#N)c2)c1[O-] ZINC000769708252 627573941 /nfs/dbraw/zinc/57/39/41/627573941.db2.gz CJVIYNOFQURDRJ-UHFFFAOYSA-N -1 3 296.326 3.109 20 30 CGEDHM CC(=NOC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000774459433 627993420 /nfs/dbraw/zinc/99/34/20/627993420.db2.gz RUMQCNXJTKANHO-UHFFFAOYSA-N -1 3 285.343 3.465 20 30 CGEDHM Cc1ccc(C(F)(F)C(=O)[N-]C2(C#N)CCCCC2)cc1 ZINC000779761130 628427485 /nfs/dbraw/zinc/42/74/85/628427485.db2.gz IZDUVNGFDHCOGI-UHFFFAOYSA-N -1 3 292.329 3.430 20 30 CGEDHM CC(=NNCCC(C)(C)C)c1ccc([O-])cc1F ZINC000782906587 628667130 /nfs/dbraw/zinc/66/71/30/628667130.db2.gz BBEOHFZOPKWJJA-UHFFFAOYSA-N -1 3 252.333 3.281 20 30 CGEDHM Cc1ccc([O-])c(C=NNc2ccc(C#N)c(Cl)c2)n1 ZINC000783878283 628754243 /nfs/dbraw/zinc/75/42/43/628754243.db2.gz UNYSADARKUIQFD-UHFFFAOYSA-N -1 3 286.722 3.067 20 30 CGEDHM C=CCCC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786137372 628915546 /nfs/dbraw/zinc/91/55/46/628915546.db2.gz MPUYHOHCQRWQCM-UHFFFAOYSA-N -1 3 290.340 3.299 20 30 CGEDHM CCC(O)(CC)CC/N=C\c1cc(Cl)ccc1[O-] ZINC000788284416 629044617 /nfs/dbraw/zinc/04/46/17/629044617.db2.gz GZMJPWCOTSYQJX-YBEGLDIGSA-N -1 3 269.772 3.406 20 30 CGEDHM FC1(CN=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863125494 629480598 /nfs/dbraw/zinc/48/05/98/629480598.db2.gz XRXJDRPVLXLELT-UHFFFAOYSA-N -1 3 262.313 3.192 20 30 CGEDHM CC1(CN=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863124787 629480705 /nfs/dbraw/zinc/48/07/05/629480705.db2.gz DATALXIGVCUKBF-UHFFFAOYSA-N -1 3 258.350 3.490 20 30 CGEDHM C=C(Cl)C[C@@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000864518937 629852890 /nfs/dbraw/zinc/85/28/90/629852890.db2.gz ZBPVUGNMJNRKRB-LLVKDONJSA-N -1 3 274.147 3.025 20 30 CGEDHM N#CC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CC1 ZINC000810876624 630969546 /nfs/dbraw/zinc/96/95/46/630969546.db2.gz JAGRKJAEZXCMSF-UHFFFAOYSA-N -1 3 280.736 3.343 20 30 CGEDHM C[C@@H](COC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811188163 631042215 /nfs/dbraw/zinc/04/22/15/631042215.db2.gz BBMTWPHLZBTGJT-LBPRGKRZSA-N -1 3 281.311 3.224 20 30 CGEDHM C=CCN(CC=C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816480628 631987289 /nfs/dbraw/zinc/98/72/89/631987289.db2.gz SFOGYNGEXGLBFN-UHFFFAOYSA-N -1 3 255.720 3.359 20 30 CGEDHM C=C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816504996 631995509 /nfs/dbraw/zinc/99/55/09/631995509.db2.gz JPVGSZAVPIDVEF-UHFFFAOYSA-N -1 3 255.720 3.337 20 30 CGEDHM N#CC(=C([O-])C=C[C@H]1CCCO1)c1nccc2ccccc21 ZINC000820853231 632688043 /nfs/dbraw/zinc/68/80/43/632688043.db2.gz TVYDWVHNBYLHIL-LOWICHSDSA-N -1 3 292.338 3.146 20 30 CGEDHM CCCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121118287 633176868 /nfs/dbraw/zinc/17/68/68/633176868.db2.gz YFRDUHRTUBEDNB-UHFFFAOYSA-N -1 3 287.367 3.166 20 30 CGEDHM CCCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121118287 633176875 /nfs/dbraw/zinc/17/68/75/633176875.db2.gz YFRDUHRTUBEDNB-UHFFFAOYSA-N -1 3 287.367 3.166 20 30 CGEDHM CCN(Cc1ccc(Br)cc1[O-])C[C@@H](C)C#N ZINC000824596960 633263185 /nfs/dbraw/zinc/26/31/85/633263185.db2.gz LZDFGMFZEHIKFG-JTQLQIEISA-N -1 3 297.196 3.136 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=CC2CCCC2)nc(C)n1 ZINC000842682823 635440282 /nfs/dbraw/zinc/44/02/82/635440282.db2.gz NYLGRXVWTKXTQS-NPQIQWPPSA-N -1 3 269.348 3.016 20 30 CGEDHM C[C@@H]1SCC[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000843264204 635628529 /nfs/dbraw/zinc/62/85/29/635628529.db2.gz NEILWMMBNOMTEH-XWXXAIOBSA-N -1 3 255.770 3.359 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000844488158 635916459 /nfs/dbraw/zinc/91/64/59/635916459.db2.gz PZDQUXPLWRNWBA-QMMMGPOBSA-N -1 3 269.370 3.068 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)oc1C ZINC000128723826 636067805 /nfs/dbraw/zinc/06/78/05/636067805.db2.gz ZMGSMFHHERRVCJ-CQSZACIVSA-N -1 3 296.326 3.166 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1cccc(Cl)c1Cl ZINC000846534881 636191677 /nfs/dbraw/zinc/19/16/77/636191677.db2.gz HCCDPRISOPABMQ-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM C=C(C)CO[N-]C(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000846534042 636194234 /nfs/dbraw/zinc/19/42/34/636194234.db2.gz JQMKLHRGGPPSNC-UHFFFAOYSA-N -1 3 279.767 3.287 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000846545965 636198106 /nfs/dbraw/zinc/19/81/06/636198106.db2.gz QZVHZAZTFOHFAV-STQMWFEESA-N -1 3 261.365 3.365 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ccc(C)s1 ZINC000846545941 636198237 /nfs/dbraw/zinc/19/82/37/636198237.db2.gz KKPXKYPMEVQXSG-JTQLQIEISA-N -1 3 253.367 3.002 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1sccc1C ZINC000846550598 636199918 /nfs/dbraw/zinc/19/99/18/636199918.db2.gz YFTQIXICVSFYIY-NSHDSACASA-N -1 3 253.367 3.002 20 30 CGEDHM C=CCOCCC/N=C/c1cc(Br)ccc1[O-] ZINC000849172784 636766018 /nfs/dbraw/zinc/76/60/18/636766018.db2.gz ZRGUOAAVCBPDLV-XNTDXEJSSA-N -1 3 298.180 3.166 20 30 CGEDHM COC(=O)[C@H](CC(C)C)/N=C\c1cc(Cl)ccc1[O-] ZINC000887268842 637785647 /nfs/dbraw/zinc/78/56/47/637785647.db2.gz WTNDFYBSKUWZNW-LUMBYOQCSA-N -1 3 283.755 3.052 20 30 CGEDHM C[C@@H]1CCCCN1N=Cc1cc(Br)ccc1[O-] ZINC000853378259 637827510 /nfs/dbraw/zinc/82/75/10/637827510.db2.gz AWCZQJZTFZHOLB-SNVBAGLBSA-N -1 3 297.196 3.363 20 30 CGEDHM C=CCCO[N-]C(=O)CCCCCc1cccs1 ZINC000856033085 638288782 /nfs/dbraw/zinc/28/87/82/638288782.db2.gz ZKNSIGJGQGNPNA-UHFFFAOYSA-N -1 3 267.394 3.475 20 30 CGEDHM Cc1cc(C#N)c(NC(=O)c2cc([O-])cc3[nH]ccc32)s1 ZINC001155955174 805628318 /nfs/dbraw/zinc/62/83/18/805628318.db2.gz ZADQHLXVHSYRGT-UHFFFAOYSA-N -1 3 297.339 3.367 20 30 CGEDHM C=C[C@@](C)(O)CNc1ccc(Cl)c(Cl)c1[O-] ZINC001252567489 806069819 /nfs/dbraw/zinc/06/98/19/806069819.db2.gz ZNPRPVJSAIEOSA-LLVKDONJSA-N -1 3 262.136 3.048 20 30 CGEDHM C=CCCCCCC[C@H](O)CNc1ncc(F)cc1[O-] ZINC001253233247 806186996 /nfs/dbraw/zinc/18/69/96/806186996.db2.gz AIQLLOGQSCQMEG-ZDUSSCGKSA-N -1 3 282.359 3.226 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001161826867 806466214 /nfs/dbraw/zinc/46/62/14/806466214.db2.gz NTWXXHPJCCHTRN-ARFHVFGLSA-N -1 3 273.376 3.370 20 30 CGEDHM C[C@H]1CCc2c(scc2C([O-])=C(C#N)c2nccn2C)C1 ZINC001122609657 802876423 /nfs/dbraw/zinc/87/64/23/802876423.db2.gz LUPVIYMZXPTCRR-CMPLNLGQSA-N -1 3 299.399 3.096 20 30 CGEDHM COc1cc([O-])ccc1-c1nc(C(F)(F)F)ccc1C#N ZINC001243979298 803117219 /nfs/dbraw/zinc/11/72/19/803117219.db2.gz JFPHWXBOHWWIBG-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM COC(=O)Cc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001244219425 803246711 /nfs/dbraw/zinc/24/67/11/803246711.db2.gz BZHQQHLPFYIORD-VCHYOVAHSA-N -1 3 287.290 3.016 20 30 CGEDHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1C#N ZINC001244496133 803403470 /nfs/dbraw/zinc/40/34/70/803403470.db2.gz LJUGKJCWSFJQEP-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1C#N ZINC001244496133 803403475 /nfs/dbraw/zinc/40/34/75/803403475.db2.gz LJUGKJCWSFJQEP-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM CCc1cc(-c2ccc(C)c(-c3nnn[n-]3)c2)ccc1C#N ZINC001244954642 803590928 /nfs/dbraw/zinc/59/09/28/803590928.db2.gz RYENBLAHOICFBF-UHFFFAOYSA-N -1 3 289.342 3.276 20 30 CGEDHM CCc1cc(-c2ccc(C)c(-c3nn[n-]n3)c2)ccc1C#N ZINC001244954642 803590930 /nfs/dbraw/zinc/59/09/30/803590930.db2.gz RYENBLAHOICFBF-UHFFFAOYSA-N -1 3 289.342 3.276 20 30 CGEDHM COC(=O)c1cc(C#N)cc(-c2ccc([O-])cc2Cl)c1 ZINC001245082110 803636855 /nfs/dbraw/zinc/63/68/55/803636855.db2.gz PUXLGQZFCSBSAC-UHFFFAOYSA-N -1 3 287.702 3.371 20 30 CGEDHM N#Cc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC001245495469 803767534 /nfs/dbraw/zinc/76/75/34/803767534.db2.gz QDNIUYUSYUBSOQ-UHFFFAOYSA-N -1 3 281.262 3.323 20 30 CGEDHM C=CCO[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001140879760 804540664 /nfs/dbraw/zinc/54/06/64/804540664.db2.gz OUHUWGDQSUWBMF-UHFFFAOYSA-N -1 3 291.391 3.377 20 30 CGEDHM CC(=O)c1ccc(Nc2cc(F)cc(F)c2[O-])c(C#N)c1 ZINC001212489181 815038955 /nfs/dbraw/zinc/03/89/55/815038955.db2.gz GWBNZZOISGZXGH-UHFFFAOYSA-N -1 3 288.253 3.488 20 30 CGEDHM N#Cc1cn(-c2cc(F)cc(F)c2[O-])c2ccc(N)cc12 ZINC001212491020 815040485 /nfs/dbraw/zinc/04/04/85/815040485.db2.gz DVOAURFSOMAZAH-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)nc2)c([O-])c1 ZINC001148491827 805188060 /nfs/dbraw/zinc/18/80/60/805188060.db2.gz CZOCQYXWJYYALJ-UHFFFAOYSA-N -1 3 295.342 3.149 20 30 CGEDHM CCCCCCCNC(=S)Nc1ncccc1[O-] ZINC001249629260 805192749 /nfs/dbraw/zinc/19/27/49/805192749.db2.gz UWZMFTFIIHOXMO-UHFFFAOYSA-N -1 3 267.398 3.044 20 30 CGEDHM N#Cc1c(F)cc(Nc2cccc([O-])c2F)cc1F ZINC001212553208 815065320 /nfs/dbraw/zinc/06/53/20/815065320.db2.gz HJZHXUFHCRRRSS-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM COc1ccc(Nc2ccc(C(C)=O)c([O-])c2)c(C#N)c1 ZINC001212783428 815136912 /nfs/dbraw/zinc/13/69/12/815136912.db2.gz KDNKYBFFHXYPJZ-UHFFFAOYSA-N -1 3 282.299 3.219 20 30 CGEDHM C#C[C@](C)(CC)Nc1[n-]c(=O)c(Cl)cc1Cl ZINC001169689763 807687093 /nfs/dbraw/zinc/68/70/93/807687093.db2.gz OOZGHTUUQFLXBM-LLVKDONJSA-N -1 3 259.136 3.308 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cccc(-n3cccn3)c2)c1 ZINC001174300675 808942315 /nfs/dbraw/zinc/94/23/15/808942315.db2.gz MGMGGQCWDNUHDV-UHFFFAOYSA-N -1 3 276.299 3.193 20 30 CGEDHM COc1ccc(C#N)cc1Nc1ccc([O-])c(F)c1 ZINC001174741554 809149951 /nfs/dbraw/zinc/14/99/51/809149951.db2.gz RKACULDUPYSUIC-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175099986 809271184 /nfs/dbraw/zinc/27/11/84/809271184.db2.gz LEFIKKPXANHATJ-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1cc(C#N)cc(C)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429395 809401710 /nfs/dbraw/zinc/40/17/10/809401710.db2.gz JXNKWUDFDAEUQW-UHFFFAOYSA-N -1 3 290.330 3.099 20 30 CGEDHM N#Cc1ccc2c(c1)CCN2C(=O)c1cc([O-])ccc1Cl ZINC001299232885 809547700 /nfs/dbraw/zinc/54/77/00/809547700.db2.gz PVZGTTLSVMRPPB-UHFFFAOYSA-N -1 3 298.729 3.120 20 30 CGEDHM C=CCn1cc(Nc2cccc([O-])c2Br)cn1 ZINC001176550403 809715874 /nfs/dbraw/zinc/71/58/74/809715874.db2.gz HSVJZCMRFJIAKL-UHFFFAOYSA-N -1 3 294.152 3.281 20 30 CGEDHM Cc1cc(Nc2cc([O-])cc(Cl)c2)cnc1C#N ZINC001176623995 809733455 /nfs/dbraw/zinc/73/34/55/809733455.db2.gz PRLVFSWVAPIQKG-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccnn2Cc2ccccc2)c1 ZINC001176705407 809745115 /nfs/dbraw/zinc/74/51/15/809745115.db2.gz CUYCCBKPKIMRNK-UHFFFAOYSA-N -1 3 290.326 3.252 20 30 CGEDHM CCCCCCC[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC001192951388 810833369 /nfs/dbraw/zinc/83/33/69/810833369.db2.gz WZVWFNMWBXUQED-ZDUSSCGKSA-N -1 3 293.411 3.335 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2ccc(C)c(Cl)c2)c1C#N ZINC001202801711 812178067 /nfs/dbraw/zinc/17/80/67/812178067.db2.gz GELROHWCXRFBRP-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM N#Cc1c(F)cc(Nc2cc([O-])cc(F)c2)cc1F ZINC001208199563 813742686 /nfs/dbraw/zinc/74/26/86/813742686.db2.gz MLHILKQJBSSNPO-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1cnoc1[N-]c1cc(F)cc(F)c1Cl ZINC001215950005 815638820 /nfs/dbraw/zinc/63/88/20/815638820.db2.gz KUSRJMUGRBVYKX-UHFFFAOYSA-N -1 3 255.611 3.221 20 30 CGEDHM Cc1ncc(C#N)cc1Nc1c([O-])cccc1Cl ZINC001215983300 815651192 /nfs/dbraw/zinc/65/11/92/815651192.db2.gz REYAHSRRZHGEIM-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM CC#Cc1cncc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001242942180 823181903 /nfs/dbraw/zinc/18/19/03/823181903.db2.gz USLYWHTZKNKFMH-UHFFFAOYSA-N -1 3 264.353 3.415 20 30 CGEDHM COc1ccc([C@H](C)O/C(=N\[O-])c2ccccn2)c(F)c1 ZINC001223976173 816712589 /nfs/dbraw/zinc/71/25/89/816712589.db2.gz NLAJVBMMKVBNQZ-FQWVMZTNSA-N -1 3 290.294 3.143 20 30 CGEDHM N#C[C@H](Oc1ccc2c([O-])coc2c1)c1cccc(F)c1 ZINC001225340478 817018578 /nfs/dbraw/zinc/01/85/78/817018578.db2.gz OAYPOXZDBRCYND-INIZCTEOSA-N -1 3 283.258 3.044 20 30 CGEDHM C#C[C@H](CC(C)C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850048 817195276 /nfs/dbraw/zinc/19/52/76/817195276.db2.gz FPCZSPPXRGJIFE-MRVPVSSYSA-N -1 3 290.310 3.211 20 30 CGEDHM C=CC[C@@H](C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225854532 817196188 /nfs/dbraw/zinc/19/61/88/817196188.db2.gz VNKOMRYZQFJREB-ZCFIWIBFSA-N -1 3 264.272 3.128 20 30 CGEDHM C#C[C@H](CCCC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850871 817196456 /nfs/dbraw/zinc/19/64/56/817196456.db2.gz PRSLMUAVTGBCCR-MRVPVSSYSA-N -1 3 290.310 3.355 20 30 CGEDHM C=CCOc1ccccc1[C@@H](C)Oc1ccnc(=S)[n-]1 ZINC001226939379 817510310 /nfs/dbraw/zinc/51/03/10/817510310.db2.gz HLISHZBWVYYOLB-LLVKDONJSA-N -1 3 288.372 3.470 20 30 CGEDHM N#C[C@@H](Oc1[n-]c(=O)nc2ccccc21)c1cccc(F)c1 ZINC001226980774 817524260 /nfs/dbraw/zinc/52/42/60/817524260.db2.gz LXYQJDURAHUNCD-CQSZACIVSA-N -1 3 295.273 3.118 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1cc(C#N)ccc1[O-] ZINC001227348691 817629574 /nfs/dbraw/zinc/62/95/74/817629574.db2.gz BFQVFMZPAXBQOQ-ZDUSSCGKSA-N -1 3 255.317 3.247 20 30 CGEDHM COCOc1ccc(-c2cccc(/C=N/[O-])c2)cc1 ZINC001243209249 823292622 /nfs/dbraw/zinc/29/26/22/823292622.db2.gz QADQWTWHLKWKOH-MHWRWJLKSA-N -1 3 257.289 3.144 20 30 CGEDHM C#C[C@H](CC)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228347241 817883865 /nfs/dbraw/zinc/88/38/65/817883865.db2.gz QQGTYIBQOVRXEM-GFCCVEGCSA-N -1 3 270.357 3.223 20 30 CGEDHM C=C[C@H](CCCCC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697761 817978164 /nfs/dbraw/zinc/97/81/64/817978164.db2.gz PMWMGRAWWLWDIT-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM N#C[C@@H]1CCCCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231521847 818120881 /nfs/dbraw/zinc/12/08/81/818120881.db2.gz FIPQBGOQEXYHEA-NSHDSACASA-N -1 3 284.281 3.289 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1OC1CCC(F)(F)CC1 ZINC001233799365 818706943 /nfs/dbraw/zinc/70/69/43/818706943.db2.gz ISOKKXKPMXYLCK-RQZCQDPDSA-N -1 3 285.290 3.460 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@H](c2cccnc2)C(F)(F)F)c1 ZINC001234144405 818790062 /nfs/dbraw/zinc/79/00/62/818790062.db2.gz NGGCBMQVAQUNDC-CYBMUJFWSA-N -1 3 294.232 3.341 20 30 CGEDHM Cc1ccc(F)c(-c2ccc(CC#N)c(C#N)c2)c1[O-] ZINC001236404096 819453083 /nfs/dbraw/zinc/45/30/83/819453083.db2.gz NCPGMLOQKYWVDV-UHFFFAOYSA-N -1 3 266.275 3.444 20 30 CGEDHM COc1ccc(CN2CCC[C@H](C#N)CC2)c([O-])c1Cl ZINC001236812122 819603769 /nfs/dbraw/zinc/60/37/69/819603769.db2.gz RQKKNVDLXXHKMI-NSHDSACASA-N -1 3 294.782 3.180 20 30 CGEDHM N#CCN(Cc1occc1[S-])Cc1ccccc1 ZINC001237190854 819694945 /nfs/dbraw/zinc/69/49/45/819694945.db2.gz JZOTVEGDBNSWLN-UHFFFAOYSA-N -1 3 258.346 3.094 20 30 CGEDHM C=CCN(CC=C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237937336 819888720 /nfs/dbraw/zinc/88/87/20/819888720.db2.gz PBDWXVGGFSNUCF-UHFFFAOYSA-N -1 3 255.720 3.359 20 30 CGEDHM COc1ccc(-c2cccc(/C=N/[O-])c2)cc1OC ZINC001239616694 820463229 /nfs/dbraw/zinc/46/32/29/820463229.db2.gz DNBRKBPLQDHQOB-MHWRWJLKSA-N -1 3 257.289 3.179 20 30 CGEDHM COc1ccc(-c2ccccc2C=N[O-])cc1OC ZINC001239620923 820467045 /nfs/dbraw/zinc/46/70/45/820467045.db2.gz KHRQWYPZLVQKRB-UHFFFAOYSA-N -1 3 257.289 3.179 20 30 CGEDHM COC(=O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001239733358 820558674 /nfs/dbraw/zinc/55/86/74/820558674.db2.gz CQWPONUAXIDKSL-RQZCQDPDSA-N -1 3 273.263 3.087 20 30 CGEDHM [O-]N=Cc1ccccc1-c1cnn(Cc2ccccc2)c1 ZINC001240005247 820772454 /nfs/dbraw/zinc/77/24/54/820772454.db2.gz IZXKWAKOEZBLSF-UHFFFAOYSA-N -1 3 277.327 3.407 20 30 CGEDHM Cc1ccc2n[nH]cc2c1-c1ccc(/C=N/[O-])c(F)c1 ZINC001241524391 821924375 /nfs/dbraw/zinc/92/43/75/821924375.db2.gz VCKFZMDWIVVBFA-CNHKJKLMSA-N -1 3 269.279 3.486 20 30 CGEDHM Cc1n[nH]c2ccc(-c3ccc(C=N[O-])c(F)c3)cc12 ZINC001241670718 822052988 /nfs/dbraw/zinc/05/29/88/822052988.db2.gz MQJXEVHNXSRIFB-CAOOACKPSA-N -1 3 269.279 3.486 20 30 CGEDHM CN(C)c1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001242193395 822905458 /nfs/dbraw/zinc/90/54/58/822905458.db2.gz STSVYIBTKOFPNJ-LICLKQGHSA-N -1 3 258.296 3.367 20 30 CGEDHM COc1ccc(-c2cccc(F)c2[O-])c(CC#N)c1 ZINC001242350197 822960724 /nfs/dbraw/zinc/96/07/24/822960724.db2.gz CFPDEFDBMFHUIO-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM C#CC[C@@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001343539359 936505402 /nfs/dbraw/zinc/50/54/02/936505402.db2.gz ZTOKQZGGDWKJGN-MRVPVSSYSA-N -1 3 278.258 3.069 20 30 CGEDHM C=CCC[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001347382864 936882564 /nfs/dbraw/zinc/88/25/64/936882564.db2.gz ADEBEIJBLFIPRU-ZDUSSCGKSA-N -1 3 292.354 3.172 20 30 CGEDHM C#C[C@H](CCCC)Oc1cc(O)cc([O-])c1Br ZINC001229096266 932093987 /nfs/dbraw/zinc/09/39/87/932093987.db2.gz AOMWPAZALPTCHZ-SNVBAGLBSA-N -1 3 299.164 3.431 20 30 CGEDHM C=C[C@]1(C)CC[C@H](Oc2nc(C)[n-]c(=O)c2C)C(C)(C)O1 ZINC001229690664 932469837 /nfs/dbraw/zinc/46/98/37/932469837.db2.gz QLPQXGYKYMKIPZ-BLLLJJGKSA-N -1 3 292.379 3.080 20 30 CGEDHM COC(C)(C)C[C@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737903 932478111 /nfs/dbraw/zinc/47/81/11/932478111.db2.gz FEJKHVJHORNANW-NRMVZKHRSA-N -1 3 265.353 3.467 20 30 CGEDHM [O-]c1ccccc1/N=C/c1ccccc1O[C@@H]1CCOC1 ZINC001229933024 932505519 /nfs/dbraw/zinc/50/55/19/932505519.db2.gz LEEMLAATRYFTIZ-XWAFYUISSA-N -1 3 283.327 3.311 20 30 CGEDHM Cc1cc(Cl)cc(NC(=O)c2coc(C#N)c2)c1[O-] ZINC001466545342 937710297 /nfs/dbraw/zinc/71/02/97/937710297.db2.gz WFAIWQHACUDVAW-UHFFFAOYSA-N -1 3 276.679 3.071 20 30 CGEDHM Cc1ccoc1C(=O)N([O-])Cc1ccccc1Cl ZINC001472618751 937778004 /nfs/dbraw/zinc/77/80/04/937778004.db2.gz GOFRDIGNTXTDSC-UHFFFAOYSA-N -1 3 265.696 3.273 20 30 CGEDHM CCCCN([O-])C(=O)c1sc(C)cc1OC(F)F ZINC001472620878 937778045 /nfs/dbraw/zinc/77/80/45/937778045.db2.gz WQGABYQCULMNAP-UHFFFAOYSA-N -1 3 279.308 3.289 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1CCOc2ccccc21 ZINC001472621361 937778054 /nfs/dbraw/zinc/77/80/54/937778054.db2.gz RCTSGEJPPQVRBA-AWEZNQCLSA-N -1 3 277.364 3.351 20 30 CGEDHM C=CC(C)(C)CC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001546340885 938000899 /nfs/dbraw/zinc/00/08/99/938000899.db2.gz DYFDUDRTWNHUPQ-UHFFFAOYSA-N -1 3 291.347 3.110 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccccc1F)c1cccc(F)n1 ZINC001516710596 938009454 /nfs/dbraw/zinc/00/94/54/938009454.db2.gz NOUKKYJXRFSTGE-LAUAKBEESA-N -1 3 284.265 3.249 20 30 CGEDHM CCCCN([O-])C(=O)c1nc2ccccc2cc1C ZINC001559035629 938150624 /nfs/dbraw/zinc/15/06/24/938150624.db2.gz ZBPYEFZVXXSXIZ-UHFFFAOYSA-N -1 3 258.321 3.175 20 30 CGEDHM N#Cc1ccc(C2(NC(=O)c3ccccc3[O-])CCC2)cc1 ZINC001557226090 938208567 /nfs/dbraw/zinc/20/85/67/938208567.db2.gz FENJPCBETSHTHU-UHFFFAOYSA-N -1 3 292.338 3.073 20 30 CGEDHM CCCCN([O-])C(=O)c1oc2ccccc2c1COC ZINC001559035247 938219172 /nfs/dbraw/zinc/21/91/72/938219172.db2.gz IRAHDIMBXXWMQE-UHFFFAOYSA-N -1 3 277.320 3.211 20 30 CGEDHM CCCCN([O-])C(=O)C1(c2ccc(F)cc2F)CCC1 ZINC001559035404 938219315 /nfs/dbraw/zinc/21/93/15/938219315.db2.gz PAFBPEDBDDINTB-UHFFFAOYSA-N -1 3 283.318 3.404 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)c1[nH]c2ccccc2c1C#N ZINC001566778224 961017047 /nfs/dbraw/zinc/01/70/47/961017047.db2.gz WRVUULWIOXDGFZ-UHFFFAOYSA-N -1 3 291.310 3.306 20 30 CGEDHM C=C(C)CCSCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588423980 963265696 /nfs/dbraw/zinc/26/56/96/963265696.db2.gz DZTRYHYPZCWSTG-UHFFFAOYSA-N -1 3 274.393 3.109 20 30 CGEDHM C=C(C)CCSCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588423980 963265702 /nfs/dbraw/zinc/26/57/02/963265702.db2.gz DZTRYHYPZCWSTG-UHFFFAOYSA-N -1 3 274.393 3.109 20 30 CGEDHM C=CC[C@H]1CC[C@@H](Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588559090 963286545 /nfs/dbraw/zinc/28/65/45/963286545.db2.gz HDINXRYUBBDXEP-NWDGAFQWSA-N -1 3 299.378 3.032 20 30 CGEDHM C=CC[C@H]1CC[C@@H](Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588559090 963286554 /nfs/dbraw/zinc/28/65/54/963286554.db2.gz HDINXRYUBBDXEP-NWDGAFQWSA-N -1 3 299.378 3.032 20 30 CGEDHM C=CCCCCOc1c(Cl)cc(F)cc1-c1nnn[n-]1 ZINC001588596686 963294278 /nfs/dbraw/zinc/29/42/78/963294278.db2.gz XTEMPBUESLSTNL-UHFFFAOYSA-N -1 3 296.733 3.394 20 30 CGEDHM C=CCCCCOc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001588596686 963294289 /nfs/dbraw/zinc/29/42/89/963294289.db2.gz XTEMPBUESLSTNL-UHFFFAOYSA-N -1 3 296.733 3.394 20 30 CGEDHM CC#CCCSc1c(Cl)cccc1-c1nnn[n-]1 ZINC001588745815 963308851 /nfs/dbraw/zinc/30/88/51/963308851.db2.gz FFNORMYMYMJESV-UHFFFAOYSA-N -1 3 278.768 3.026 20 30 CGEDHM CC#CCCSc1c(Cl)cccc1-c1nn[n-]n1 ZINC001588745815 963308858 /nfs/dbraw/zinc/30/88/58/963308858.db2.gz FFNORMYMYMJESV-UHFFFAOYSA-N -1 3 278.768 3.026 20 30 CGEDHM CC(C)[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001591089513 991635930 /nfs/dbraw/zinc/63/59/30/991635930.db2.gz ZONQNVFZGOEKNX-MRXNPFEDSA-N -1 3 286.375 3.267 20 30 CGEDHM C=CC[C@@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621872544 349600176 /nfs/dbraw/zinc/60/01/76/349600176.db2.gz ZEYQESFFEAYIDQ-MRVPVSSYSA-N -1 3 273.254 3.105 20 30 CGEDHM C=CCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596256802 347405634 /nfs/dbraw/zinc/40/56/34/347405634.db2.gz FLIBPFJBTYKPEI-UHFFFAOYSA-N -1 3 277.324 3.244 20 30 CGEDHM C[C@@]1(C#N)CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000599362470 347739502 /nfs/dbraw/zinc/73/95/02/347739502.db2.gz NXVKWXMKOQTNDQ-AWEZNQCLSA-N -1 3 264.756 3.171 20 30 CGEDHM N#CC(=C([O-])c1cnc2ccsc2c1)c1ccccn1 ZINC000608552878 348317259 /nfs/dbraw/zinc/31/72/59/348317259.db2.gz JKVHRUGJRAZGOT-NSHDSACASA-N -1 3 279.324 3.181 20 30 CGEDHM C=C[C@@](C)(CC)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022072 348782556 /nfs/dbraw/zinc/78/25/56/348782556.db2.gz BBJZDTSGHLJIIS-KRWDZBQOSA-N -1 3 284.359 3.159 20 30 CGEDHM C=CCC(C)(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022092 348782614 /nfs/dbraw/zinc/78/26/14/348782614.db2.gz BXAKNWJQWBCTJW-UHFFFAOYSA-N -1 3 284.359 3.159 20 30 CGEDHM C=C(C)[C@H](CC(=O)Nc1ccc([O-])cc1Cl)OCC ZINC000616940719 348885017 /nfs/dbraw/zinc/88/50/17/348885017.db2.gz CXHXBMHZYLKATL-ZDUSSCGKSA-N -1 3 283.755 3.355 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000617044822 348907692 /nfs/dbraw/zinc/90/76/92/348907692.db2.gz TVLZOWVUQWRFLF-RISCZKNCSA-N -1 3 299.374 3.133 20 30 CGEDHM N#Cc1cnc(Sc2ccc([O-])cc2)c(Cl)c1 ZINC000358869324 233206312 /nfs/dbraw/zinc/20/63/12/233206312.db2.gz FKESUJGCPWYGJB-UHFFFAOYSA-N -1 3 262.721 3.463 20 30 CGEDHM N#Cc1cccc(C2(C(=O)Nc3ccc([O-])cc3F)CC2)c1 ZINC000336357418 213205798 /nfs/dbraw/zinc/20/57/98/213205798.db2.gz JVJZXPSSUWAUHV-UHFFFAOYSA-N -1 3 296.301 3.073 20 30 CGEDHM C[C@@H](C(=O)[O-])[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000426747794 236310678 /nfs/dbraw/zinc/31/06/78/236310678.db2.gz RVJBJCCWSLVSLX-DYVFJYSZSA-N -1 3 294.354 3.110 20 30 CGEDHM Cc1[nH]c(C#N)cc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000336208418 213030819 /nfs/dbraw/zinc/03/08/19/213030819.db2.gz JHJXCQUTAZVVDO-UHFFFAOYSA-N -1 3 297.358 3.450 20 30 CGEDHM CC(C)CCn1ccc([N-]c2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000302028082 201307505 /nfs/dbraw/zinc/30/75/05/201307505.db2.gz MAURNBHQWKQPHW-UHFFFAOYSA-N -1 3 299.334 3.453 20 30 CGEDHM C=C[C@](C)(CC)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000276265600 193262793 /nfs/dbraw/zinc/26/27/93/193262793.db2.gz YQVJLVGSFIDEMK-OAHLLOKOSA-N -1 3 274.320 3.305 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc(C#N)nc2)c1 ZINC000115708118 370540078 /nfs/dbraw/zinc/54/00/78/370540078.db2.gz FIOVHISHUFTAMK-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM CSc1cc(C([O-])=C(C#N)c2ccccn2)ccc1F ZINC000155556688 371934233 /nfs/dbraw/zinc/93/42/33/371934233.db2.gz BXSCKUDXJCBGDW-NSHDSACASA-N -1 3 286.331 3.433 20 30 CGEDHM CCC(CC)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000156315120 371972590 /nfs/dbraw/zinc/97/25/90/371972590.db2.gz NSDCOLYWDMHETJ-AWEZNQCLSA-N -1 3 296.374 3.438 20 30 CGEDHM C=C(C)C(C)(C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000425199723 372117069 /nfs/dbraw/zinc/11/70/69/372117069.db2.gz IVGJNUDSBVITEM-UHFFFAOYSA-N -1 3 288.326 3.152 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(C#N)c[nH]2)c1 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[O-]c1c(O)ccc(/C=N\[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC000741845728 572534722 /nfs/dbraw/zinc/53/47/22/572534722.db2.gz VXEDKZKFUYGDDL-WBXZIXFVSA-N -1 3 275.348 3.191 20 30 CGEDHM CC(=NNc1cnnc2ccccc21)c1ccc(C)cc1[O-] ZINC000733749816 572601343 /nfs/dbraw/zinc/60/13/43/572601343.db2.gz AETFMLXVGVUQDK-UHFFFAOYSA-N -1 3 292.342 3.480 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CC[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000734366566 572649867 /nfs/dbraw/zinc/64/98/67/572649867.db2.gz XNXQCYMTKIEHSC-DFGDDMDISA-N -1 3 290.407 3.223 20 30 CGEDHM CCC(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736313964 572781775 /nfs/dbraw/zinc/78/17/75/572781775.db2.gz BFBBTKJNIQDXKW-UHFFFAOYSA-N -1 3 298.272 3.083 20 30 CGEDHM CCC(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736313964 572781778 /nfs/dbraw/zinc/78/17/78/572781778.db2.gz BFBBTKJNIQDXKW-UHFFFAOYSA-N -1 3 298.272 3.083 20 30 CGEDHM CCOc1ccc(/C=N/[C@H](CC)C2CCOCC2)c([O-])c1 ZINC000746393891 572869180 /nfs/dbraw/zinc/86/91/80/572869180.db2.gz 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ZINC001213371033 815271950 /nfs/dbraw/zinc/27/19/50/815271950.db2.gz UDWDOXUNYSXENB-UHFFFAOYSA-N -1 3 252.245 3.347 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001301632904 809584948 /nfs/dbraw/zinc/58/49/48/809584948.db2.gz HERNOCXMIVVUDV-STQMWFEESA-N -1 3 253.386 3.463 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1c(OC)cccc1OC ZINC001184305335 810189831 /nfs/dbraw/zinc/18/98/31/810189831.db2.gz GVSKGCISDXJQTI-UHFFFAOYSA-N -1 3 295.379 3.044 20 30 CGEDHM CCCCCCN([O-])C(=O)C1Cc2ccccc2C1 ZINC001184305814 810189921 /nfs/dbraw/zinc/18/99/21/810189921.db2.gz SEIZWDYHVFDEJQ-UHFFFAOYSA-N -1 3 261.365 3.200 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC001187672238 810415397 /nfs/dbraw/zinc/41/53/97/810415397.db2.gz OYIWHPIZNMORBG-UHFFFAOYSA-N -1 3 294.673 3.291 20 30 CGEDHM CCCCCCCCOC(=O)Nc1cnc(C)[n-]c1=O ZINC001194734984 811119539 /nfs/dbraw/zinc/11/95/39/811119539.db2.gz CHRRNLVGHKQMJU-UHFFFAOYSA-N -1 3 281.356 3.400 20 30 CGEDHM COc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1OC ZINC001214702195 815444603 /nfs/dbraw/zinc/44/46/03/815444603.db2.gz ADNAKXZREOEBDZ-UHFFFAOYSA-N -1 3 288.278 3.164 20 30 CGEDHM N#Cc1cc(NC(=O)c2cccc(C3CCC3)n2)ccc1[O-] ZINC001197872726 811459925 /nfs/dbraw/zinc/45/99/25/811459925.db2.gz HUCKDFIOQNUUGG-UHFFFAOYSA-N -1 3 293.326 3.179 20 30 CGEDHM CC(C)Oc1cncc(Nc2cc(C#N)ccc2[O-])c1 ZINC001201548325 811897105 /nfs/dbraw/zinc/89/71/05/811897105.db2.gz ZOPQIXWGLVWWII-UHFFFAOYSA-N -1 3 269.304 3.190 20 30 CGEDHM Cc1ncc(Nc2ccc(C(F)(F)F)cc2C#N)c(=O)[n-]1 ZINC001201692157 811938039 /nfs/dbraw/zinc/93/80/39/811938039.db2.gz YBOWPQLTFGKRRJ-UHFFFAOYSA-N -1 3 294.236 3.125 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(C3CC3)nc2)c1 ZINC001201714239 811944786 /nfs/dbraw/zinc/94/47/86/811944786.db2.gz FITOWOFIEZUHLN-UHFFFAOYSA-N -1 3 251.289 3.280 20 30 CGEDHM Cc1[n-]sc(=NC=Cc2ccc(C#N)cc2)c1C#N ZINC001203299051 812301343 /nfs/dbraw/zinc/30/13/43/812301343.db2.gz WGNZFRUNNTUHGW-VOTSOKGWSA-N -1 3 266.329 3.278 20 30 CGEDHM COc1cc(F)c(Nc2ccc([O-])c(C#N)c2)cc1OC ZINC001215721155 815566024 /nfs/dbraw/zinc/56/60/24/815566024.db2.gz BBKXSENBYMIGMF-UHFFFAOYSA-N -1 3 288.278 3.164 20 30 CGEDHM Cc1ccc(F)c(Nc2cc(C#N)ccc2[O-])c1O ZINC001215740949 815571333 /nfs/dbraw/zinc/57/13/33/815571333.db2.gz ZSQPVZGAUUYNQA-UHFFFAOYSA-N -1 3 258.252 3.161 20 30 CGEDHM COc1cc(C#N)ccc1Nc1ncc(Cl)cc1[O-] ZINC001209272596 813991445 /nfs/dbraw/zinc/99/14/45/813991445.db2.gz SUOCEMVBNZZWHI-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM N#Cc1cc([O-])ccc1Nc1cccc([N+](=O)[O-])c1F ZINC001210385674 814437280 /nfs/dbraw/zinc/43/72/80/814437280.db2.gz JLKMHEYMUVGUJJ-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM CCc1cc(C#N)ccc1Nc1ccc([O-])c(C#N)c1 ZINC001210529309 814511250 /nfs/dbraw/zinc/51/12/50/814511250.db2.gz DWUCCVQGUULKFD-UHFFFAOYSA-N -1 3 263.300 3.442 20 30 CGEDHM N#Cc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)ccc1[O-] ZINC001211192062 814844490 /nfs/dbraw/zinc/84/44/90/814844490.db2.gz CDYLEZFAVBPFRO-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM Cc1nc(OC(C)C)ccc1Nc1cc(C#N)ccc1[O-] ZINC001215920196 815631100 /nfs/dbraw/zinc/63/11/00/815631100.db2.gz OOMYNEAYKROZPZ-UHFFFAOYSA-N -1 3 283.331 3.498 20 30 CGEDHM CCCn1nccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001242846365 823151558 /nfs/dbraw/zinc/15/15/58/823151558.db2.gz ANHVWESTHSDXGX-VKAVYKQESA-N -1 3 255.321 3.085 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001222667048 816495105 /nfs/dbraw/zinc/49/51/05/816495105.db2.gz SFYPHQVITDEDRC-UHFFFAOYSA-N -1 3 293.305 3.161 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001222667048 816495112 /nfs/dbraw/zinc/49/51/12/816495112.db2.gz SFYPHQVITDEDRC-UHFFFAOYSA-N -1 3 293.305 3.161 20 30 CGEDHM C=CCC[C@H](CC)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225576980 817097808 /nfs/dbraw/zinc/09/78/08/817097808.db2.gz QEPZWSFAORIWAB-QMMMGPOBSA-N -1 3 276.258 3.325 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@H](C#N)c2ccccc2F)c1 ZINC001225993627 817242017 /nfs/dbraw/zinc/24/20/17/817242017.db2.gz INVNLTWFJJNNGM-MRXNPFEDSA-N -1 3 285.274 3.378 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccccc2C#N)c1O ZINC001226481333 817372285 /nfs/dbraw/zinc/37/22/85/817372285.db2.gz FISKJRILYMNYIY-LLVKDONJSA-N -1 3 297.310 3.312 20 30 CGEDHM C=C[C@H](C#CC(C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600265 817409926 /nfs/dbraw/zinc/40/99/26/817409926.db2.gz VYKWHZPDBHONEW-CYBMUJFWSA-N -1 3 298.338 3.482 20 30 CGEDHM C=C[C@@]1(C)CC[C@@H](Oc2ccnc(=S)[n-]2)C(C)(C)O1 ZINC001226941022 817511804 /nfs/dbraw/zinc/51/18/04/817511804.db2.gz WRINZDREEXHYBM-YGRLFVJLSA-N -1 3 280.393 3.046 20 30 CGEDHM CCC[C@@H](C#Cc1ccccc1)Oc1ccnc(=S)[n-]1 ZINC001226943595 817512446 /nfs/dbraw/zinc/51/24/46/817512446.db2.gz VNWZCIVLBZJOBM-AWEZNQCLSA-N -1 3 284.384 3.365 20 30 CGEDHM COCOc1ccccc1-c1cccc(/C=N/[O-])c1 ZINC001243184591 823279157 /nfs/dbraw/zinc/27/91/57/823279157.db2.gz NRWFRECLQFWVGZ-MHWRWJLKSA-N -1 3 257.289 3.144 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H]2CCc3c2nccc3Cl)c1 ZINC001227346169 817628410 /nfs/dbraw/zinc/62/84/10/817628410.db2.gz SBWYETUEDYDYCN-CYBMUJFWSA-N -1 3 286.718 3.379 20 30 CGEDHM Cc1ccccc1OC[C@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227349782 817630201 /nfs/dbraw/zinc/63/02/01/817630201.db2.gz JKHOITFFYXZXQG-ZDUSSCGKSA-N -1 3 283.327 3.419 20 30 CGEDHM C#C[C@@H](Oc1cc(CCC)nc(=S)[n-]1)c1ccccc1 ZINC001227423114 817645900 /nfs/dbraw/zinc/64/59/00/817645900.db2.gz VWOMFEAQBGCYEL-CQSZACIVSA-N -1 3 284.384 3.471 20 30 CGEDHM C#C[C@@H](CCCC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746801 817710074 /nfs/dbraw/zinc/71/00/74/817710074.db2.gz UXOHWKNUURLZBK-NSHDSACASA-N -1 3 273.292 3.042 20 30 CGEDHM C#C[C@@H](CCCC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746801 817710079 /nfs/dbraw/zinc/71/00/79/817710079.db2.gz UXOHWKNUURLZBK-NSHDSACASA-N -1 3 273.292 3.042 20 30 CGEDHM C=CC[C@H](Oc1nc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC001227820371 817726669 /nfs/dbraw/zinc/72/66/69/817726669.db2.gz SPLVWCFYTQKVSB-HNNXBMFYSA-N -1 3 299.326 3.270 20 30 CGEDHM C=CC[C@@H](C=C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622363 817956838 /nfs/dbraw/zinc/95/68/38/817956838.db2.gz HWDODGLHYSTBNP-LLVKDONJSA-N -1 3 272.300 3.317 20 30 CGEDHM C=CC[C@H](C=C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228672709 817968100 /nfs/dbraw/zinc/96/81/00/817968100.db2.gz ABODAZAPWMZZGA-JTQLQIEISA-N -1 3 273.292 3.289 20 30 CGEDHM C#C[C@H](Oc1n[n-]c(-c2ccncc2)n1)[C@@H](CC)CCCC ZINC001228697265 817977281 /nfs/dbraw/zinc/97/72/81/817977281.db2.gz ISCGGTHCCGSJPR-ZFWWWQNUSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001233507119 818630311 /nfs/dbraw/zinc/63/03/11/818630311.db2.gz UXXHJMXYXHSQLZ-LBPRGKRZSA-N -1 3 293.710 3.161 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCCC[C@@H]1F ZINC001233525825 818633769 /nfs/dbraw/zinc/63/37/69/818633769.db2.gz XGKKESYXGDSUCV-SWLSCSKDSA-N -1 3 261.296 3.442 20 30 CGEDHM C#C[C@@H](CCCCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233798859 818707354 /nfs/dbraw/zinc/70/73/54/818707354.db2.gz BKDMJPBEOFVBPO-IQGJIOQQSA-N -1 3 275.348 3.464 20 30 CGEDHM N#C[C@@H](Oc1cc([O-])cc(F)c1)c1cccc(F)c1 ZINC001233816291 818711233 /nfs/dbraw/zinc/71/12/33/818711233.db2.gz AKVAHWXCXWUHGQ-CQSZACIVSA-N -1 3 261.227 3.314 20 30 CGEDHM N#C[C@@H](Oc1cccc([O-])c1F)c1cccc(F)c1 ZINC001233868903 818720402 /nfs/dbraw/zinc/72/04/02/818720402.db2.gz CVLIXWDZYQNRKV-CYBMUJFWSA-N -1 3 261.227 3.314 20 30 CGEDHM CCCC(=O)[C@@H](CCC)Oc1cc([O-])cc(C#N)c1 ZINC001234143315 818789945 /nfs/dbraw/zinc/78/99/45/818789945.db2.gz CWHWECNTNFDMLL-OAHLLOKOSA-N -1 3 261.321 3.181 20 30 CGEDHM C[C@@H](Cc1ccccc1)Oc1cc([O-])cc(C#N)c1 ZINC001234144610 818791147 /nfs/dbraw/zinc/79/11/47/818791147.db2.gz RDZWSROXEZFDDG-LBPRGKRZSA-N -1 3 253.301 3.274 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H]2CCc3cc(F)ccc32)c1 ZINC001234143622 818791272 /nfs/dbraw/zinc/79/12/72/818791272.db2.gz FLOYGMUWZORWDF-MRXNPFEDSA-N -1 3 269.275 3.469 20 30 CGEDHM C#CC[C@H](CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693446 818918400 /nfs/dbraw/zinc/91/84/00/818918400.db2.gz XIWFXCAQZMKDFX-ZDUSSCGKSA-N -1 3 268.316 3.030 20 30 CGEDHM N#C[C@H]1CCCCN1Cc1ccc(Br)c([O-])c1 ZINC001236688486 819573866 /nfs/dbraw/zinc/57/38/66/819573866.db2.gz VRVYLHRZJSKHJB-LLVKDONJSA-N -1 3 295.180 3.033 20 30 CGEDHM COc1ccc(-c2cc(F)cc(F)c2[O-])cc1CC#N ZINC001243502234 823421467 /nfs/dbraw/zinc/42/14/67/823421467.db2.gz ILNNNURRLHHTCC-UHFFFAOYSA-N -1 3 275.254 3.412 20 30 CGEDHM Cc1cc(C(=O)[O-])ccc1CN(C)Cc1cccc(C#N)c1 ZINC001238143339 819940861 /nfs/dbraw/zinc/94/08/61/819940861.db2.gz CONHWCLSTYJDBR-UHFFFAOYSA-N -1 3 294.354 3.197 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cc(F)cc(CO)c3)ccc21 ZINC001243695031 823489659 /nfs/dbraw/zinc/48/96/59/823489659.db2.gz PQGMSMKCTIWKSP-VLGSPTGOSA-N -1 3 271.291 3.110 20 30 CGEDHM Cn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001240290298 820939339 /nfs/dbraw/zinc/93/93/39/820939339.db2.gz GYUPUCXXXHQASD-ODLFYWEKSA-N -1 3 295.264 3.230 20 30 CGEDHM Cn1ncc2ccc(-c3cc(/C=N/[O-])ccc3F)cc21 ZINC001240310003 820954024 /nfs/dbraw/zinc/95/40/24/820954024.db2.gz AJDZRASCBHKEDD-QGMBQPNBSA-N -1 3 269.279 3.188 20 30 CGEDHM Cc1ccc(-c2ccc(Cl)c(C#N)c2)cc1-c1nnn[n-]1 ZINC001240404523 821024458 /nfs/dbraw/zinc/02/44/58/821024458.db2.gz YZQIPKLMBMLGPR-UHFFFAOYSA-N -1 3 295.733 3.367 20 30 CGEDHM Cc1ccc(-c2ccc(Cl)c(C#N)c2)cc1-c1nn[n-]n1 ZINC001240404523 821024468 /nfs/dbraw/zinc/02/44/68/821024468.db2.gz YZQIPKLMBMLGPR-UHFFFAOYSA-N -1 3 295.733 3.367 20 30 CGEDHM N#Cc1ncnc2ccc(-c3cc(F)ccc3[O-])cc12 ZINC001240698106 821254521 /nfs/dbraw/zinc/25/45/21/821254521.db2.gz GEFSVTVILQQFCP-UHFFFAOYSA-N -1 3 265.247 3.013 20 30 CGEDHM CCO[C@H](C)n1cc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001240757928 821305944 /nfs/dbraw/zinc/30/59/44/821305944.db2.gz FPJCIJBIKKRJND-RKQLKTQESA-N -1 3 285.347 3.230 20 30 CGEDHM COc1ccc(-c2cc([O-])cc(F)c2)c(CC#N)c1 ZINC001241272069 821691248 /nfs/dbraw/zinc/69/12/48/821691248.db2.gz YOKLABDNKGGXDG-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(C)c1C#N ZINC001241445340 821839713 /nfs/dbraw/zinc/83/97/13/821839713.db2.gz MWSLPRJJHDANPM-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(C)c1C#N ZINC001241445340 821839715 /nfs/dbraw/zinc/83/97/15/821839715.db2.gz MWSLPRJJHDANPM-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM COC(=O)CCc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242564050 823033935 /nfs/dbraw/zinc/03/39/35/823033935.db2.gz QDFNSPNSMLRXQK-UHFFFAOYSA-N -1 3 281.311 3.036 20 30 CGEDHM COC(=O)[C@H](C)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565790 823036334 /nfs/dbraw/zinc/03/63/34/823036334.db2.gz SKKQTVCIRVIZTD-LLVKDONJSA-N -1 3 281.311 3.207 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1cscc1Cl ZINC001347339180 936880045 /nfs/dbraw/zinc/88/00/45/936880045.db2.gz WEDMCSIIBDTBMX-MRVPVSSYSA-N -1 3 279.752 3.108 20 30 CGEDHM CC1(CC(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001472619226 937099934 /nfs/dbraw/zinc/09/99/34/937099934.db2.gz CHOQTBLAIAVMPK-UHFFFAOYSA-N -1 3 261.365 3.417 20 30 CGEDHM N#CC[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC001545835999 937248389 /nfs/dbraw/zinc/24/83/89/937248389.db2.gz XJKGSQSNOCSGMI-GFCCVEGCSA-N -1 3 284.290 3.167 20 30 CGEDHM C#C[C@H](Oc1cccc([O-])c1Br)C(C)C ZINC001229140353 932104865 /nfs/dbraw/zinc/10/48/65/932104865.db2.gz AVBZGSIFSYKFPQ-JTQLQIEISA-N -1 3 269.138 3.191 20 30 CGEDHM CC(=O)[C@@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932149 932505539 /nfs/dbraw/zinc/50/55/39/932505539.db2.gz AIESDSJPMUNECG-VBEHJTROSA-N -1 3 283.327 3.499 20 30 CGEDHM N#CCN(Cc1ccc(Cl)cc1[O-])C1CCCC1 ZINC001461943622 937608167 /nfs/dbraw/zinc/60/81/67/937608167.db2.gz UQQWXSDCRIVTMH-UHFFFAOYSA-N -1 3 264.756 3.314 20 30 CGEDHM C#Cc1ccc(NC(=O)c2cccc(CC)c2[O-])cc1 ZINC001304801350 932856790 /nfs/dbraw/zinc/85/67/90/932856790.db2.gz BBZFGECHNSSZBN-UHFFFAOYSA-N -1 3 265.312 3.188 20 30 CGEDHM CCC1(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001306895978 932891148 /nfs/dbraw/zinc/89/11/48/932891148.db2.gz DTTLVZOTKNVYNP-UHFFFAOYSA-N -1 3 261.365 3.417 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC001306897577 932892533 /nfs/dbraw/zinc/89/25/33/932892533.db2.gz SUHRTGHEDVOFEB-INIZCTEOSA-N -1 3 290.407 3.059 20 30 CGEDHM CCCCN([O-])C(=O)c1csc(C(C)(C)C)n1 ZINC001306897556 932893496 /nfs/dbraw/zinc/89/34/96/932893496.db2.gz RUJWHWRFVUYHBK-UHFFFAOYSA-N -1 3 256.371 3.072 20 30 CGEDHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC001464066051 937685716 /nfs/dbraw/zinc/68/57/16/937685716.db2.gz JDWNFFABGOYZJQ-LBPRGKRZSA-N -1 3 280.327 3.063 20 30 CGEDHM Cc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)C ZINC001319600239 933899239 /nfs/dbraw/zinc/89/92/39/933899239.db2.gz ONGQXRFHOWFURV-AWEZNQCLSA-N -1 3 280.318 3.141 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001472621188 937778306 /nfs/dbraw/zinc/77/83/06/937778306.db2.gz KKXIJBAWUMVYFA-VXGBXAGGSA-N -1 3 251.326 3.181 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1cccc(F)c1F ZINC001472621407 937778311 /nfs/dbraw/zinc/77/83/11/937778311.db2.gz SYWXMOXDHSAEPR-UHFFFAOYSA-N -1 3 271.307 3.305 20 30 CGEDHM C#Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC001472285840 937774888 /nfs/dbraw/zinc/77/48/88/937774888.db2.gz HLXKSBGQRQQUDL-UHFFFAOYSA-N -1 3 297.329 3.474 20 30 CGEDHM Cc1cc([O-])c(C=NNC2CCSCC2)c(Cl)c1 ZINC001333199101 935516706 /nfs/dbraw/zinc/51/67/06/935516706.db2.gz GCFKUVSYUPSVGO-UHFFFAOYSA-N -1 3 284.812 3.173 20 30 CGEDHM N#Cc1cc([N-]C(=O)c2csc(Cl)n2)c(F)cc1F ZINC001535439149 938101105 /nfs/dbraw/zinc/10/11/05/938101105.db2.gz CENDVWKLSOZGLW-UHFFFAOYSA-N -1 3 299.689 3.199 20 30 CGEDHM O=C(CC[C@@H]1CCCO1)N([O-])CCCCc1ccccc1 ZINC001559034079 938219047 /nfs/dbraw/zinc/21/90/47/938219047.db2.gz LUMGPXOZJBUZTE-INIZCTEOSA-N -1 3 291.391 3.186 20 30 CGEDHM C=CCN(C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000383626082 971881914 /nfs/dbraw/zinc/88/19/14/971881914.db2.gz ALLPZGHQXGVPIH-UHFFFAOYSA-N -1 3 261.346 3.217 20 30 CGEDHM C=CC[C@@H](CC)Nc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001573320428 962234794 /nfs/dbraw/zinc/23/47/94/962234794.db2.gz XSSNYWUDHXLVPP-SNVBAGLBSA-N -1 3 275.331 3.081 20 30 CGEDHM C=CC[C@@H](CC)Nc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001573320428 962234814 /nfs/dbraw/zinc/23/48/14/962234814.db2.gz XSSNYWUDHXLVPP-SNVBAGLBSA-N -1 3 275.331 3.081 20 30 CGEDHM C(#Cc1ccccc1)CSc1ccccc1-c1nnn[n-]1 ZINC001588379889 963271883 /nfs/dbraw/zinc/27/18/83/963271883.db2.gz PTOXDBVPYQRRNC-UHFFFAOYSA-N -1 3 292.367 3.011 20 30 CGEDHM C(#Cc1ccccc1)CSc1ccccc1-c1nn[n-]n1 ZINC001588379889 963271894 /nfs/dbraw/zinc/27/18/94/963271894.db2.gz PTOXDBVPYQRRNC-UHFFFAOYSA-N -1 3 292.367 3.011 20 30 CGEDHM C=CCN(Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001588635722 963290389 /nfs/dbraw/zinc/29/03/89/963290389.db2.gz RQRDZVHPPKNZQM-UHFFFAOYSA-N -1 3 297.387 3.121 20 30 CGEDHM C=CCN(Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001588635722 963290403 /nfs/dbraw/zinc/29/04/03/963290403.db2.gz RQRDZVHPPKNZQM-UHFFFAOYSA-N -1 3 297.387 3.121 20 30 CGEDHM C=CCCC[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000398152922 973075344 /nfs/dbraw/zinc/07/53/44/973075344.db2.gz FDYPLEPKARKAIW-UWVGGRQHSA-N -1 3 268.382 3.237 20 30 CGEDHM CN(CCC(C)(C)C)Cc1cccc(C(=O)[O-])c1C#N ZINC001598472614 992050497 /nfs/dbraw/zinc/05/04/97/992050497.db2.gz SFGRBRDCVPQJCI-UHFFFAOYSA-N -1 3 274.364 3.124 20 30 CGEDHM N#CCc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000590403425 346845266 /nfs/dbraw/zinc/84/52/66/346845266.db2.gz TWNOEXGLHDKLEG-UHFFFAOYSA-N -1 3 286.718 3.364 20 30 CGEDHM C=CCCN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621968649 349614645 /nfs/dbraw/zinc/61/46/45/349614645.db2.gz PSXUEOLTRIFLGQ-UHFFFAOYSA-N -1 3 273.254 3.059 20 30 CGEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc([O-])cc1Cl ZINC000616940743 348885205 /nfs/dbraw/zinc/88/52/05/348885205.db2.gz DLBRHDPLXDMIHW-AWEZNQCLSA-N -1 3 283.755 3.213 20 30 CGEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC000617779803 349009578 /nfs/dbraw/zinc/00/95/78/349009578.db2.gz IZYPPJIDPPASTR-CQSZACIVSA-N -1 3 273.376 3.383 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccccc2C)n1 ZINC000041520104 369189079 /nfs/dbraw/zinc/18/90/79/369189079.db2.gz OVHWQMJOCLPVFF-GFCCVEGCSA-N -1 3 256.330 3.250 20 30 CGEDHM Cc1ccc(F)cc1C([O-])=C(C#N)c1ccccn1 ZINC000073970810 369868140 /nfs/dbraw/zinc/86/81/40/369868140.db2.gz CDVDDBJOBRAHEH-ZDUSSCGKSA-N -1 3 254.264 3.019 20 30 CGEDHM CCn1nc(C)c(/C=C2/Cc3c(cccc3[O-])C2=O)c1C ZINC000102714087 370309312 /nfs/dbraw/zinc/30/93/12/370309312.db2.gz TWHPWCZPSYDCJO-WQLSENKSSA-N -1 3 282.343 3.048 20 30 CGEDHM CCC(CC)n1nccc1C([O-])=C(C#N)c1ccccn1 ZINC000132629135 371189446 /nfs/dbraw/zinc/18/94/46/371189446.db2.gz PQQABJCSBAOWSI-CYBMUJFWSA-N -1 3 282.347 3.129 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCc2c1cccc2F ZINC000294572346 372660368 /nfs/dbraw/zinc/66/03/68/372660368.db2.gz MFPAPAGJNQBCKB-LBPRGKRZSA-N -1 3 269.266 3.141 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436820610 372839955 /nfs/dbraw/zinc/83/99/55/372839955.db2.gz HTJJRTBKRTVDHT-OAHLLOKOSA-N -1 3 285.387 3.452 20 30 CGEDHM N#Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000344757125 217301766 /nfs/dbraw/zinc/30/17/66/217301766.db2.gz WDNVKIIARZKDMB-UHFFFAOYSA-N -1 3 298.317 3.364 20 30 CGEDHM C=CCCC[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000179777616 373914181 /nfs/dbraw/zinc/91/41/81/373914181.db2.gz CVMUENYRHUXEJY-GFCCVEGCSA-N -1 3 284.359 3.003 20 30 CGEDHM CCCN(CC#N)Cc1cc(Br)cc(C)c1[O-] ZINC000179828382 373923228 /nfs/dbraw/zinc/92/32/28/373923228.db2.gz SJGDVGNMJVGURT-UHFFFAOYSA-N -1 3 297.196 3.199 20 30 CGEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000181373697 374114226 /nfs/dbraw/zinc/11/42/26/374114226.db2.gz GYLMNXSGWFAYGV-LLVKDONJSA-N -1 3 280.343 3.075 20 30 CGEDHM CCCOc1ccc(/C=N/[C@@H]2CCCOCC2)c([O-])c1 ZINC000182699270 374316775 /nfs/dbraw/zinc/31/67/75/374316775.db2.gz CMLGCABJRKHRPY-RFRKOGIWSA-N -1 3 277.364 3.169 20 30 CGEDHM CCc1nc(C)c(C(=O)[N-]c2sc(C)c(C)c2C#N)o1 ZINC000335169733 375195791 /nfs/dbraw/zinc/19/57/91/375195791.db2.gz MLNCUEPGUCCQOH-UHFFFAOYSA-N -1 3 289.360 3.348 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(F)cc2C)n1 ZINC000155903908 542125889 /nfs/dbraw/zinc/12/58/89/542125889.db2.gz AAVDLPGLSSALHC-LBPRGKRZSA-N -1 3 274.320 3.389 20 30 CGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000545349629 376817215 /nfs/dbraw/zinc/81/72/15/376817215.db2.gz CEQOSBNOVOQDBB-VIFPVBQESA-N -1 3 291.775 3.112 20 30 CGEDHM CCCOc1ccc(/C=N/[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000271171426 378470119 /nfs/dbraw/zinc/47/01/19/378470119.db2.gz AGYOGAYWYZSDCQ-XWDBZTJWSA-N -1 3 277.364 3.167 20 30 CGEDHM C=CCC1(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)CCC1 ZINC000359938910 381382050 /nfs/dbraw/zinc/38/20/50/381382050.db2.gz AEXMPBVRHYKJNW-UHFFFAOYSA-N -1 3 295.386 3.492 20 30 CGEDHM Cc1ccncc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361541313 381793181 /nfs/dbraw/zinc/79/31/81/381793181.db2.gz ODJXBPXRKTVAKT-OAHLLOKOSA-N -1 3 287.322 3.428 20 30 CGEDHM C=CCC1(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CCC1 ZINC000361802270 381870167 /nfs/dbraw/zinc/87/01/67/381870167.db2.gz YSETYXVDNMCCQY-UHFFFAOYSA-N -1 3 281.359 3.184 20 30 CGEDHM Cc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2C)c1 ZINC000050212898 392062750 /nfs/dbraw/zinc/06/27/50/392062750.db2.gz GYBAAMIPCHZDIR-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM CCCn1nc(C)c(/C=C2\Cc3c(cccc3[O-])C2=O)c1C ZINC000178029943 392670710 /nfs/dbraw/zinc/67/07/10/392670710.db2.gz KUUAXKVGEFMWNJ-UKTHLTGXSA-N -1 3 296.370 3.438 20 30 CGEDHM C=CCn1c(SCCC2(C#N)CCCCC2)n[n-]c1=O ZINC000412995273 393015308 /nfs/dbraw/zinc/01/53/08/393015308.db2.gz CPYZIDRABDHOHA-UHFFFAOYSA-N -1 3 292.408 3.126 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000343006311 393016209 /nfs/dbraw/zinc/01/62/09/393016209.db2.gz DAAUOVPWFFWTHZ-ZDUSSCGKSA-N -1 3 296.370 3.017 20 30 CGEDHM C=C[C@@H](CC(=O)Nc1nc(C)ccc1[O-])c1ccccc1 ZINC000345924387 393072414 /nfs/dbraw/zinc/07/24/14/393072414.db2.gz JBNNXKKJWWRUNH-ZDUSSCGKSA-N -1 3 282.343 3.394 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(C(F)(F)F)cc1 ZINC000417629133 393350908 /nfs/dbraw/zinc/35/09/08/393350908.db2.gz RRYBDNKKXYLHAH-GFCCVEGCSA-N -1 3 287.281 3.214 20 30 CGEDHM C#C[C@H](/N=C/c1ccccc1[O-])c1ccc(F)cc1 ZINC000491712105 393697903 /nfs/dbraw/zinc/69/79/03/393697903.db2.gz XFKPOJIKFRQCAC-LZNAANCOSA-N -1 3 253.276 3.325 20 30 CGEDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc([O-])c1 ZINC000008322389 170330809 /nfs/dbraw/zinc/33/08/09/170330809.db2.gz DVPRXRCESMOOGC-RMKNXTFCSA-N -1 3 269.256 3.197 20 30 CGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000660142796 419086383 /nfs/dbraw/zinc/08/63/83/419086383.db2.gz KFYPMLXJFBNJOC-UHFFFAOYSA-N -1 3 273.423 3.080 20 30 CGEDHM O=C(NCCC1=CCCCCC1)c1csc(=O)[n-]1 ZINC000329924518 227987332 /nfs/dbraw/zinc/98/73/32/227987332.db2.gz HSMNIUJZIPQFEN-UHFFFAOYSA-N -1 3 266.366 3.434 20 30 CGEDHM N#CC1CCC(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000353330052 228087224 /nfs/dbraw/zinc/08/72/24/228087224.db2.gz JXXNTZACKIQPMR-UHFFFAOYSA-N -1 3 280.318 3.090 20 30 CGEDHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000447927787 260170905 /nfs/dbraw/zinc/17/09/05/260170905.db2.gz FZNCYOYRRVDCKD-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM CC(C)C[C@@H]1OCCC[C@@H]1/N=C/c1ccccc1[O-] ZINC000186848225 262112917 /nfs/dbraw/zinc/11/29/17/262112917.db2.gz COMWNLRRQSTTOY-AHEZAYJZSA-N -1 3 261.365 3.405 20 30 CGEDHM CCc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccc1[O-] ZINC000291984125 263127038 /nfs/dbraw/zinc/12/70/38/263127038.db2.gz RFLGDBAJZIAGKR-SJCJKPOMSA-N -1 3 286.375 3.157 20 30 CGEDHM N#CCC[C@@H]([N-]c1nnc(C(F)F)o1)c1ccccc1 ZINC000292964981 263136809 /nfs/dbraw/zinc/13/68/09/263136809.db2.gz GWVOTJIZVILVAG-SNVBAGLBSA-N -1 3 278.262 3.464 20 30 CGEDHM N#C[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])CC12CCCC2 ZINC000294752270 263167052 /nfs/dbraw/zinc/16/70/52/263167052.db2.gz DGKYDLUNDMXNGY-OAHLLOKOSA-N -1 3 290.750 3.458 20 30 CGEDHM N#CC[C@@H]1CC[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000295449592 263177746 /nfs/dbraw/zinc/17/77/46/263177746.db2.gz ADZLGRYTQWTZHL-WFASDCNBSA-N -1 3 298.386 3.083 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]C(C#N)(CCC)CCC ZINC000297866329 263210982 /nfs/dbraw/zinc/21/09/82/263210982.db2.gz WETOGIIFOQIAEU-UHFFFAOYSA-N -1 3 258.312 3.177 20 30 CGEDHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CCO[C@H]2C(C)C)c1 ZINC000331231174 264152915 /nfs/dbraw/zinc/15/29/15/264152915.db2.gz HWJJTZBZVZJODD-WFASDCNBSA-N -1 3 277.364 3.066 20 30 CGEDHM CC[C@H](NC(=O)c1cc(C)ccc1[O-])C1CCOCC1 ZINC000331243251 264177619 /nfs/dbraw/zinc/17/76/19/264177619.db2.gz RISISPDLKIJKPH-AWEZNQCLSA-N -1 3 277.364 3.210 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(OCC(C)C)c1 ZINC000417604351 264519882 /nfs/dbraw/zinc/51/98/82/264519882.db2.gz BLJUUIAYNXLDRE-OAHLLOKOSA-N -1 3 291.391 3.230 20 30 CGEDHM CC[C@H](C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094079823 265216062 /nfs/dbraw/zinc/21/60/62/265216062.db2.gz YPMPKCWMFFWYBX-OAHLLOKOSA-N -1 3 294.354 3.015 20 30 CGEDHM CCc1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccc1[O-] ZINC000553096642 289208371 /nfs/dbraw/zinc/20/83/71/289208371.db2.gz XPDGXIDNKDRRDE-UHFFFAOYSA-N -1 3 284.290 3.218 20 30 CGEDHM N#Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000557275142 289436380 /nfs/dbraw/zinc/43/63/80/289436380.db2.gz IJMMWOQDFLRVBI-UHFFFAOYSA-N -1 3 297.383 3.365 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000160336175 321850385 /nfs/dbraw/zinc/85/03/85/321850385.db2.gz HUHIQGCEACOOPY-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM C=C(C)CCc1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000285186708 328520264 /nfs/dbraw/zinc/52/02/64/328520264.db2.gz RKBLGANMVSJTGO-UHFFFAOYSA-N -1 3 274.320 3.268 20 30 CGEDHM C=CCN(CCC#N)Cc1cc([O-])ccc1Br ZINC000430097903 330560197 /nfs/dbraw/zinc/56/01/97/330560197.db2.gz CKEMIUXETYZDHC-UHFFFAOYSA-N -1 3 295.180 3.056 20 30 CGEDHM C=CCC1([N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000451943246 331047738 /nfs/dbraw/zinc/04/77/38/331047738.db2.gz VNYOWMJJVDSRBW-UHFFFAOYSA-N -1 3 285.434 3.305 20 30 CGEDHM CC(C)(CC#N)CNCc1cccc([O-])c1Cl ZINC000459738837 331297199 /nfs/dbraw/zinc/29/71/99/331297199.db2.gz YCZJJODHFGFARP-UHFFFAOYSA-N -1 3 252.745 3.075 20 30 CGEDHM C=C(C)CN(CC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468333011 331432492 /nfs/dbraw/zinc/43/24/92/331432492.db2.gz DPQJTLCNYRYVQZ-UHFFFAOYSA-N -1 3 279.355 3.279 20 30 CGEDHM CC(C)N(CCC#N)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000544521181 333934405 /nfs/dbraw/zinc/93/44/05/333934405.db2.gz KKNCJPXACADMQF-UHFFFAOYSA-N -1 3 286.375 3.035 20 30 CGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000546057754 334014799 /nfs/dbraw/zinc/01/47/99/334014799.db2.gz AONRNCCQZSLUCT-MRVPVSSYSA-N -1 3 279.814 3.035 20 30 CGEDHM O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000078868630 334141645 /nfs/dbraw/zinc/14/16/45/334141645.db2.gz CTOYMFKHOGRUKB-UHFFFAOYSA-N -1 3 286.266 3.035 20 30 CGEDHM O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000078868630 334141648 /nfs/dbraw/zinc/14/16/48/334141648.db2.gz CTOYMFKHOGRUKB-UHFFFAOYSA-N -1 3 286.266 3.035 20 30 CGEDHM O=C(Cc1ccc(F)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868630 334141649 /nfs/dbraw/zinc/14/16/49/334141649.db2.gz CTOYMFKHOGRUKB-UHFFFAOYSA-N -1 3 286.266 3.035 20 30 CGEDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sccc2C#N)c1 ZINC000358114478 534319920 /nfs/dbraw/zinc/31/99/20/534319920.db2.gz AZIVTNQPVAMGOP-UHFFFAOYSA-N -1 3 287.300 3.089 20 30 CGEDHM CC#CCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000184763796 519336562 /nfs/dbraw/zinc/33/65/62/519336562.db2.gz XBHHOTXLORCGMO-UHFFFAOYSA-N -1 3 251.713 3.178 20 30 CGEDHM CCOc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436927482 528381802 /nfs/dbraw/zinc/38/18/02/528381802.db2.gz OCTPVTDPSAKZQO-UHFFFAOYSA-N -1 3 296.326 3.223 20 30 CGEDHM CCCCOc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354468659 528669052 /nfs/dbraw/zinc/66/90/52/528669052.db2.gz PCUWYMMKOWRUPJ-HNNXBMFYSA-N -1 3 295.342 3.146 20 30 CGEDHM CC1(C)CCC(NC(=O)c2csc(=O)[n-]2)(C(N)=O)CC1 ZINC000329973462 528893177 /nfs/dbraw/zinc/89/31/77/528893177.db2.gz ZNTOGFVYHYSYSP-UHFFFAOYSA-N -1 3 297.380 3.028 20 30 CGEDHM CC(N=Nc1ncccc1Cl)c1ccc(F)cc1[O-] ZINC000727778874 571769112 /nfs/dbraw/zinc/76/91/12/571769112.db2.gz RZIDUTLAZDUKCV-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM [O-]c1cccc(C=Nc2ccc(O[C@H]3CCOC3)cc2)c1O ZINC000739426038 572414283 /nfs/dbraw/zinc/41/42/83/572414283.db2.gz IAVATZXOILRDBT-HNNXBMFYSA-N -1 3 299.326 3.016 20 30 CGEDHM C=CCN(Cc1cccs1)C(=O)c1cc([O-])cs1 ZINC000731863948 572430109 /nfs/dbraw/zinc/43/01/09/572430109.db2.gz GLDVAOSCLQPGLD-UHFFFAOYSA-N -1 3 279.386 3.344 20 30 CGEDHM CCOc1ccc(/C=N/C[C@@H](O)c2ccccc2C)c([O-])c1 ZINC000732714032 572478545 /nfs/dbraw/zinc/47/85/45/572478545.db2.gz QDEVPLWZUHJFOE-HDAJJNEKSA-N -1 3 299.370 3.252 20 30 CGEDHM [O-]c1ccccc1/C=N/[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000741464147 572499969 /nfs/dbraw/zinc/49/99/69/572499969.db2.gz LGYKPXYBBPELOU-KPIYYBAOSA-N -1 3 251.329 3.442 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H]1C[C@H]1Cc1ccccc1 ZINC000741465080 572500632 /nfs/dbraw/zinc/50/06/32/572500632.db2.gz SVIUXPJYMCJAHX-DVRXWAPZSA-N -1 3 281.355 3.451 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2C[C@H]2C2CCCCC2)c1O ZINC000741465779 572500891 /nfs/dbraw/zinc/50/08/91/572500891.db2.gz YHBRABZRKVNPRB-YDCWUURFSA-N -1 3 275.348 3.191 20 30 CGEDHM C[C@@H]1C[C@@H](/N=C\c2ccccc2[O-])C(=O)N1c1ccccc1 ZINC000741843864 572534240 /nfs/dbraw/zinc/53/42/40/572534240.db2.gz MUKDYHCJWZTPES-HMERBLNSSA-N -1 3 294.354 3.005 20 30 CGEDHM Cc1cc(C)cc(C[C@@H](C)/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000741844922 572534616 /nfs/dbraw/zinc/53/46/16/572534616.db2.gz REDALTYNRJODKJ-BUESGFEBSA-N -1 3 299.370 3.470 20 30 CGEDHM [O-]c1c(O)cccc1C=NNc1ccc(OC(F)F)cc1 ZINC000726428400 572576307 /nfs/dbraw/zinc/57/63/07/572576307.db2.gz AKKBCIBMQDPBGD-UHFFFAOYSA-N -1 3 294.257 3.145 20 30 CGEDHM CC(=NNc1cnnc2ccccc21)c1ccccc1[O-] ZINC000733748293 572601149 /nfs/dbraw/zinc/60/11/49/572601149.db2.gz PSYQCJHQMKXPSB-UHFFFAOYSA-N -1 3 278.315 3.172 20 30 CGEDHM Cn1ccc2c1cccc2N=Cc1ccc(O)c([O-])c1O ZINC000726889680 572629961 /nfs/dbraw/zinc/62/99/61/572629961.db2.gz GHJNJNVJTUUZKM-UHFFFAOYSA-N -1 3 282.299 3.046 20 30 CGEDHM COC(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])o1 ZINC000734093962 572630307 /nfs/dbraw/zinc/63/03/07/572630307.db2.gz BNEXYPYDMLQQAD-FRKPEAEDSA-N -1 3 293.706 3.044 20 30 CGEDHM COc1cccc([O-])c1C=Nc1ccc2c(c1)nc(C)n2C ZINC000743045518 572635636 /nfs/dbraw/zinc/63/56/36/572635636.db2.gz NRWGGPRNBWXPJO-UHFFFAOYSA-N -1 3 295.342 3.347 20 30 CGEDHM c1cc(-c2nnn[n-]2)ccc1N=NCC1CCCCCC1 ZINC000735397280 572718549 /nfs/dbraw/zinc/71/85/49/572718549.db2.gz ARFRWFPDZSCLSO-UHFFFAOYSA-N -1 3 284.367 3.235 20 30 CGEDHM c1cc(-c2nn[n-]n2)ccc1N=NCC1CCCCCC1 ZINC000735397280 572718553 /nfs/dbraw/zinc/71/85/53/572718553.db2.gz ARFRWFPDZSCLSO-UHFFFAOYSA-N -1 3 284.367 3.235 20 30 CGEDHM C=CCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735416723 572721841 /nfs/dbraw/zinc/72/18/41/572721841.db2.gz POTJZBXRVRIDTI-JTQLQIEISA-N -1 3 260.366 3.237 20 30 CGEDHM C=CCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735416723 572721843 /nfs/dbraw/zinc/72/18/43/572721843.db2.gz POTJZBXRVRIDTI-JTQLQIEISA-N -1 3 260.366 3.237 20 30 CGEDHM CCCCC(CC)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736438698 572791988 /nfs/dbraw/zinc/79/19/88/572791988.db2.gz JYRFCKPEILBSSV-UHFFFAOYSA-N -1 3 272.356 3.235 20 30 CGEDHM CCCCC(CC)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736438698 572791992 /nfs/dbraw/zinc/79/19/92/572791992.db2.gz JYRFCKPEILBSSV-UHFFFAOYSA-N -1 3 272.356 3.235 20 30 CGEDHM COc1cccc([O-])c1/C=N/C[C@H](C)c1ccncc1 ZINC000749844839 573045699 /nfs/dbraw/zinc/04/56/99/573045699.db2.gz MPLWTSKMKYMOGV-HWQJWEFDSA-N -1 3 270.332 3.018 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H](C)c1ncc(C)s1 ZINC000749931165 573062749 /nfs/dbraw/zinc/06/27/49/573062749.db2.gz RBSQTPQJEDDYNS-CYANDVJASA-N -1 3 276.361 3.346 20 30 CGEDHM N#C[C@@H](Sc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000822801609 599345507 /nfs/dbraw/zinc/34/55/07/599345507.db2.gz KWAXIJLHIXPAOC-CQSZACIVSA-N -1 3 299.403 3.431 20 30 CGEDHM N#C[C@@H](Sc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000822801609 599345509 /nfs/dbraw/zinc/34/55/09/599345509.db2.gz KWAXIJLHIXPAOC-CQSZACIVSA-N -1 3 299.403 3.431 20 30 CGEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000827718599 600762227 /nfs/dbraw/zinc/76/22/27/600762227.db2.gz WNJHFMYXOWYBEI-ZBEGNZNMSA-N -1 3 298.317 3.174 20 30 CGEDHM C[C@H]1CCC[C@H](C)N1Cc1cccc(C(=O)[O-])c1C#N ZINC000833609360 604609382 /nfs/dbraw/zinc/60/93/82/604609382.db2.gz GJGIXQUPMAFLFD-RYUDHWBXSA-N -1 3 272.348 3.019 20 30 CGEDHM N#Cc1cccc(Sc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000822837615 606945295 /nfs/dbraw/zinc/94/52/95/606945295.db2.gz PIDWJZIJAVRZEX-UHFFFAOYSA-N -1 3 297.318 3.029 20 30 CGEDHM CC(C)(C#N)CCCSc1cccc(-c2nnn[n-]2)c1 ZINC000819891774 607012999 /nfs/dbraw/zinc/01/29/99/607012999.db2.gz GYHJDLMSIGWQIX-UHFFFAOYSA-N -1 3 287.392 3.289 20 30 CGEDHM CC(C)(C#N)CCCSc1cccc(-c2nn[n-]n2)c1 ZINC000819891774 607013001 /nfs/dbraw/zinc/01/30/01/607013001.db2.gz GYHJDLMSIGWQIX-UHFFFAOYSA-N -1 3 287.392 3.289 20 30 CGEDHM C=CCCCSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819739645 607033671 /nfs/dbraw/zinc/03/36/71/607033671.db2.gz BJLWECAVERTGFL-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=CCCCSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819739645 607033673 /nfs/dbraw/zinc/03/36/73/607033673.db2.gz BJLWECAVERTGFL-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM O=C(c1cccnc1)N([O-])Cc1cccc2ccccc21 ZINC000899895245 620733886 /nfs/dbraw/zinc/73/38/86/620733886.db2.gz MFSYAVOTUNSILL-UHFFFAOYSA-N -1 3 278.311 3.266 20 30 CGEDHM C#C[C@@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000890654198 617733982 /nfs/dbraw/zinc/73/39/82/617733982.db2.gz BBHBZPYFLFKJHM-GFCCVEGCSA-N -1 3 297.276 3.039 20 30 CGEDHM C#CCN(Cc1ccccc1)C(=O)c1cc(CC)ccc1[O-] ZINC000804837237 617882411 /nfs/dbraw/zinc/88/24/11/617882411.db2.gz FIAWKCAZIPISFQ-UHFFFAOYSA-N -1 3 293.366 3.230 20 30 CGEDHM C[C@@H]1C[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091590 620760608 /nfs/dbraw/zinc/76/06/08/620760608.db2.gz CPHIUIKYEMOANS-IAQYHMDHSA-N -1 3 255.317 3.214 20 30 CGEDHM O=C(c1cccc2ccncc21)N([O-])Cc1ccc(F)cc1 ZINC000900094570 620761198 /nfs/dbraw/zinc/76/11/98/620761198.db2.gz QAYDCDJWTOOCIV-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=Nc1cccc(-n2ccnn2)c1 ZINC000255069579 617904785 /nfs/dbraw/zinc/90/47/85/617904785.db2.gz AXHIIWVTBQBTPJ-UHFFFAOYSA-N -1 3 298.733 3.377 20 30 CGEDHM C=CC(C)(C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000900096158 620762262 /nfs/dbraw/zinc/76/22/62/620762262.db2.gz UCFIYVODUUSPPB-UHFFFAOYSA-N -1 3 251.301 3.146 20 30 CGEDHM CC(C)(C)C[C@@H](O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000255367083 618222360 /nfs/dbraw/zinc/22/23/60/618222360.db2.gz MMISWUZBCDGEMW-VJMCZWTHSA-N -1 3 269.772 3.262 20 30 CGEDHM Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)c([O-])c1 ZINC000255838682 618798092 /nfs/dbraw/zinc/79/80/92/618798092.db2.gz YQASSWCGSNSTDJ-CLFYSBASSA-N -1 3 278.311 3.224 20 30 CGEDHM COC(=O)[C@@H](CC(C)(C)C)/N=C/c1cc(Cl)ccc1[O-] ZINC000843267026 618892298 /nfs/dbraw/zinc/89/22/98/618892298.db2.gz SIGVQMSFJYWKRA-UDPFGDFPSA-N -1 3 297.782 3.442 20 30 CGEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000005156309 619725020 /nfs/dbraw/zinc/72/50/20/619725020.db2.gz LFQWZOHTUZUEFK-WEVVVXLNSA-N -1 3 284.311 3.306 20 30 CGEDHM O=C([C@H]1[C@@H]2c3ccccc3C[C@H]12)N([O-])Cc1ccc(F)cc1 ZINC000901371355 620866382 /nfs/dbraw/zinc/86/63/82/620866382.db2.gz AQOXTRPMEVXGBN-GVDBMIGSSA-N -1 3 297.329 3.129 20 30 CGEDHM COCCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCC1 ZINC000901371541 620866638 /nfs/dbraw/zinc/86/66/38/620866638.db2.gz DOOZDZNINJRIGA-UHFFFAOYSA-N -1 3 295.354 3.140 20 30 CGEDHM O=C(c1csc(C2CC2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901374505 620868302 /nfs/dbraw/zinc/86/83/02/620868302.db2.gz LHLXKHFOHNUPDA-UHFFFAOYSA-N -1 3 292.335 3.191 20 30 CGEDHM CC[C@@](C)(C#N)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171771 621884257 /nfs/dbraw/zinc/88/42/57/621884257.db2.gz SWBPJVFLWDHOED-KRWDZBQOSA-N -1 3 282.343 3.497 20 30 CGEDHM CCC[C@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904172805 621884509 /nfs/dbraw/zinc/88/45/09/621884509.db2.gz CLONNYZOQUMZOY-HIFRSBDPSA-N -1 3 295.354 3.139 20 30 CGEDHM CSCCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175588 621884949 /nfs/dbraw/zinc/88/49/49/621884949.db2.gz UWIIBMNZJVHDKW-UHFFFAOYSA-N -1 3 271.357 3.077 20 30 CGEDHM CCCCCCN([O-])C(=O)CCCc1cccnc1 ZINC000904207375 621886360 /nfs/dbraw/zinc/88/63/60/621886360.db2.gz ZQYGDCXLSMSWOP-UHFFFAOYSA-N -1 3 264.369 3.202 20 30 CGEDHM CC[C@@H]1C[C@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904190003 621886723 /nfs/dbraw/zinc/88/67/23/621886723.db2.gz FOEISCMOWDAZMB-DGCLKSJQSA-N -1 3 297.782 3.263 20 30 CGEDHM C#CCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904190036 621886796 /nfs/dbraw/zinc/88/67/96/621886796.db2.gz GFSAMMGUOPNCRH-UHFFFAOYSA-N -1 3 265.740 3.251 20 30 CGEDHM CC[C@@H]1C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904190004 621886806 /nfs/dbraw/zinc/88/68/06/621886806.db2.gz FOEISCMOWDAZMB-WCQYABFASA-N -1 3 297.782 3.263 20 30 CGEDHM C[C@@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CCO1 ZINC000904197579 621888043 /nfs/dbraw/zinc/88/80/43/621888043.db2.gz IALBBRPZXUNEOP-GDBMZVCRSA-N -1 3 291.391 3.042 20 30 CGEDHM O=C(N([O-])CCCCc1ccccc1)C1(CCF)CC1 ZINC000904195531 621888061 /nfs/dbraw/zinc/88/80/61/621888061.db2.gz GUFBEFKTHAACOQ-UHFFFAOYSA-N -1 3 279.355 3.367 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000904204403 621889360 /nfs/dbraw/zinc/88/93/60/621889360.db2.gz KWLSZBMQULTVIV-LLVKDONJSA-N -1 3 298.408 3.406 20 30 CGEDHM CCCCCCN([O-])C(=O)C1(C(F)(F)F)CC1 ZINC000904205691 621889738 /nfs/dbraw/zinc/88/97/38/621889738.db2.gz SCKFACHVEOCVBU-UHFFFAOYSA-N -1 3 253.264 3.127 20 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3.423 20 30 CGEDHM CCC(=NNc1ccncc1Cl)c1ccc([O-])c(F)c1 ZINC000764697557 623933849 /nfs/dbraw/zinc/93/38/49/623933849.db2.gz ZFNDCPMRWQTULD-UHFFFAOYSA-N -1 3 293.729 3.228 20 30 CGEDHM C[C@H](COCC(F)(F)F)/N=C\c1cc(Cl)ccc1[O-] ZINC000921261384 624577782 /nfs/dbraw/zinc/57/77/82/624577782.db2.gz MXFPNASATGNXCM-VEQMJOCQSA-N -1 3 295.688 3.432 20 30 CGEDHM C[C@H](NN=Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000755664238 626635646 /nfs/dbraw/zinc/63/56/46/626635646.db2.gz JIWSSNMNTVRNFJ-NSHDSACASA-N -1 3 258.296 3.216 20 30 CGEDHM N#CCSCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000805385077 627546528 /nfs/dbraw/zinc/54/65/28/627546528.db2.gz NHDPFBGNGRWZLD-UHFFFAOYSA-N -1 3 293.175 3.125 20 30 CGEDHM C=CCN(CC=C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775638219 628118493 /nfs/dbraw/zinc/11/84/93/628118493.db2.gz CGBHTDOXERRAMD-UHFFFAOYSA-N -1 3 255.720 3.359 20 30 CGEDHM N#C[C@H](OC(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC000776360786 628197840 /nfs/dbraw/zinc/19/78/40/628197840.db2.gz XCHUUBUNJZVNJJ-AWEZNQCLSA-N -1 3 259.305 3.021 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CGEDHM N#Cc1ccc([O-])c(Nc2ccc(OC(F)(F)F)nc2)c1 ZINC001210822048 814644796 /nfs/dbraw/zinc/64/47/96/814644796.db2.gz LKVLWOPUPVIKFD-UHFFFAOYSA-N -1 3 295.220 3.301 20 30 CGEDHM N#Cc1cc([N-]c2nc3ccc(F)cc3o2)cc([N+](=O)[O-])c1 ZINC001211326641 814879368 /nfs/dbraw/zinc/87/93/68/814879368.db2.gz CLMUTNFPVQJSIZ-UHFFFAOYSA-N -1 3 298.233 3.490 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc(C3CC3)cnc2F)c1 ZINC001215957254 815641580 /nfs/dbraw/zinc/64/15/80/815641580.db2.gz JWNKRJSOVHDBEN-UHFFFAOYSA-N -1 3 269.279 3.419 20 30 CGEDHM COc1ccc(C#N)cc1Nc1cc(C)c(F)c([O-])c1 ZINC001216082771 815686667 /nfs/dbraw/zinc/68/66/67/815686667.db2.gz XZDKUSTZYSGFJJ-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM Nc1ccccc1C(=N[O-])Nc1cc(F)c(F)cc1Cl ZINC001216372096 815801083 /nfs/dbraw/zinc/80/10/83/815801083.db2.gz CRNPXQLAVWUKLG-UHFFFAOYSA-N -1 3 297.692 3.448 20 30 CGEDHM [O-]c1ccccc1/N=C/c1ccccc1O[C@H]1C[C@@H](O)C1 ZINC001218421046 816207376 /nfs/dbraw/zinc/20/73/76/816207376.db2.gz RFIGOJDULAOHBM-NLTUMJQJSA-N -1 3 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CCCCO[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001306896314 932891160 /nfs/dbraw/zinc/89/11/60/932891160.db2.gz ROODOCZVGDOYQI-HNNXBMFYSA-N -1 3 293.407 3.432 20 30 CGEDHM Cc1cc[nH]c1C(=O)N([O-])Cc1ccccc1Cl ZINC001306894361 932891437 /nfs/dbraw/zinc/89/14/37/932891437.db2.gz KHAUXQJQHJHOLW-UHFFFAOYSA-N -1 3 264.712 3.008 20 30 CGEDHM C/C(=C/c1ccncc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898995 932893653 /nfs/dbraw/zinc/89/36/53/932893653.db2.gz UXAJICZVUOBPIU-BENRWUELSA-N -1 3 286.306 3.042 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](c1ccccc1)N(C)C ZINC001472621194 937778641 /nfs/dbraw/zinc/77/86/41/937778641.db2.gz KOLMMJXRKBAICM-HNNXBMFYSA-N -1 3 278.396 3.087 20 30 CGEDHM C[C@@]1(C#N)CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001474388516 937856624 /nfs/dbraw/zinc/85/66/24/937856624.db2.gz MGKPDDIVAHTXDH-AWEZNQCLSA-N -1 3 264.756 3.171 20 30 CGEDHM C=C(CC)CNC(=O)c1ccc(OCCCC)cc1[O-] ZINC001558995415 938218810 /nfs/dbraw/zinc/21/88/10/938218810.db2.gz IVVIZRXCIUDVEK-UHFFFAOYSA-N -1 3 277.364 3.267 20 30 CGEDHM CCCCN([O-])C(=O)c1nc2ccccc2nc1C1CC1 ZINC001559035451 938219368 /nfs/dbraw/zinc/21/93/68/938219368.db2.gz QXDJEBLTDRJBHH-UHFFFAOYSA-N -1 3 285.347 3.139 20 30 CGEDHM N#Cc1cccc([N+](=O)[O-])c1Sc1ccccc1[O-] ZINC001559253980 938223617 /nfs/dbraw/zinc/22/36/17/938223617.db2.gz UNARMRMYWGLAHK-UHFFFAOYSA-N -1 3 272.285 3.323 20 30 CGEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccccc1[O-] ZINC001570419918 961963323 /nfs/dbraw/zinc/96/33/23/961963323.db2.gz PFUXDLQOTVIMCI-INIZCTEOSA-N -1 3 292.338 3.071 20 30 CGEDHM CC[C@@H]1CCC[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001577150502 962509098 /nfs/dbraw/zinc/50/90/98/962509098.db2.gz GEZQYLVKJILVID-DGCLKSJQSA-N -1 3 296.378 3.119 20 30 CGEDHM CC[C@@H]1CCC[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001577150502 962509109 /nfs/dbraw/zinc/50/91/09/962509109.db2.gz GEZQYLVKJILVID-DGCLKSJQSA-N -1 3 296.378 3.119 20 30 CGEDHM C=C[C@@H](N[C@H](c1ccccc1)c1ccc(OC)cc1)C(=O)[O-] ZINC001588696838 963307230 /nfs/dbraw/zinc/30/72/30/963307230.db2.gz 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CCc1ccc(NC(=O)[N-]c2oc(C)nc2C#N)cc1 ZINC001202934880 812204453 /nfs/dbraw/zinc/20/44/53/812204453.db2.gz RIFWBZHQUPVLHR-UHFFFAOYSA-N -1 3 270.292 3.061 20 30 CGEDHM Cn1cc(Nc2cc(C#N)ccc2[O-])c2ccccc21 ZINC001203423056 812352807 /nfs/dbraw/zinc/35/28/07/812352807.db2.gz XCHBETKXDUZDEH-UHFFFAOYSA-N -1 3 263.300 3.499 20 30 CGEDHM Cc1cc(C#N)cc(C)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001215645824 815551675 /nfs/dbraw/zinc/55/16/75/815551675.db2.gz ZRAROYDCYANYSB-UHFFFAOYSA-N -1 3 280.331 3.292 20 30 CGEDHM N#Cc1cc(F)c(F)cc1Nc1ccc(F)cc1[O-] ZINC001210019840 814248453 /nfs/dbraw/zinc/24/84/53/814248453.db2.gz WATDQISIRURYAF-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM COc1cccc(Nc2cc(F)cc(F)c2[O-])c1C#N ZINC001210127863 814302902 /nfs/dbraw/zinc/30/29/02/814302902.db2.gz RGRUBPVIZIOHOH-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM CC(=O)Nc1ccc(Nc2cccc(F)c2[O-])cc1C#N ZINC001210198343 814335153 /nfs/dbraw/zinc/33/51/53/814335153.db2.gz RPSAKFDYBQVINZ-UHFFFAOYSA-N -1 3 285.278 3.105 20 30 CGEDHM N#Cc1cc(F)c(Nc2ccc(F)c([O-])c2)c(F)c1 ZINC001211218088 814853210 /nfs/dbraw/zinc/85/32/10/814853210.db2.gz LZZDRPIYBAEAHR-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1c(C#N)cccc1[N-]c1nnc(Br)s1 ZINC001216173497 815719436 /nfs/dbraw/zinc/71/94/36/815719436.db2.gz JBUHRSYUIQJCAH-UHFFFAOYSA-N -1 3 295.165 3.224 20 30 CGEDHM COc1ccc(-c2ccc(F)c([O-])c2)cc1CC#N ZINC001243048700 823225594 /nfs/dbraw/zinc/22/55/94/823225594.db2.gz IODMIXUSWFNGBS-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM C#C[C@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226114730 817276525 /nfs/dbraw/zinc/27/65/25/817276525.db2.gz PXSPARBMJPBWTQ-WLSWZUKCSA-N -1 3 251.285 3.248 20 30 CGEDHM C[C@@H](COc1ccccc1)Oc1cccc(/C=N/[O-])c1 ZINC001226114458 817276544 /nfs/dbraw/zinc/27/65/44/817276544.db2.gz KJNMCTTXZYXFFH-HNEYUBDGSA-N -1 3 271.316 3.341 20 30 CGEDHM [O-]/N=C/c1cccc(O[C@H](c2cccnc2)C2CC2)c1 ZINC001226114433 817277195 /nfs/dbraw/zinc/27/71/95/817277195.db2.gz JJPSQYSESGHVRG-HKJBKDEOSA-N -1 3 268.316 3.420 20 30 CGEDHM CC1(C)CC(=O)CC[C@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226114682 817277396 /nfs/dbraw/zinc/27/73/96/817277396.db2.gz OZQRZTDZYVYNMU-DWKHYPNZSA-N -1 3 261.321 3.021 20 30 CGEDHM C=CC[C@@H](C=C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598749 817409097 /nfs/dbraw/zinc/40/90/97/817409097.db2.gz GNXIGQFLOUTNKG-LLVKDONJSA-N -1 3 258.273 3.008 20 30 CGEDHM N#Cc1ccc([O-])c(OC[C@@H]2CCc3ccccc3O2)c1 ZINC001227345724 817628187 /nfs/dbraw/zinc/62/81/87/817628187.db2.gz PRKMEZQUGZGIIS-AWEZNQCLSA-N -1 3 281.311 3.036 20 30 CGEDHM C[C@H](COc1cc(C#N)ccc1[O-])OCc1ccccc1 ZINC001227351029 817630613 /nfs/dbraw/zinc/63/06/13/817630613.db2.gz RZEHURAMQILPAV-CYBMUJFWSA-N -1 3 283.327 3.248 20 30 CGEDHM C=CC(C=C)Oc1c([O-])cc(Br)cc1F ZINC001227588328 817677861 /nfs/dbraw/zinc/67/78/61/817677861.db2.gz QTPIUGREKUDLTH-UHFFFAOYSA-N -1 3 273.101 3.413 20 30 CGEDHM C=C[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937940 817759220 /nfs/dbraw/zinc/75/92/20/817759220.db2.gz PWFWAGAAZWBLLF-LLVKDONJSA-N -1 3 284.311 3.282 20 30 CGEDHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1ccccc1C#N ZINC001227983938 817772684 /nfs/dbraw/zinc/77/26/84/817772684.db2.gz XANYANBZMSJLFI-SECBINFHSA-N -1 3 274.707 3.452 20 30 CGEDHM C#C[C@H](CC)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228130805 817820627 /nfs/dbraw/zinc/82/06/27/817820627.db2.gz CZOUBRPHQNUWTP-GFCCVEGCSA-N -1 3 260.333 3.338 20 30 CGEDHM C#C[C@@H](CCCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854597 818023968 /nfs/dbraw/zinc/02/39/68/818023968.db2.gz UFKRYYQRHQLHEJ-LBPRGKRZSA-N -1 3 258.317 3.092 20 30 CGEDHM Cc1cc([O-])c(CN2CCCC[C@@H]2C#N)cc1Cl ZINC001231870572 818193985 /nfs/dbraw/zinc/19/39/85/818193985.db2.gz JZVROVOMYSTRFL-GFCCVEGCSA-N -1 3 264.756 3.232 20 30 CGEDHM CCCN(CCC#N)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870439 818194696 /nfs/dbraw/zinc/19/46/96/818194696.db2.gz AWFQZVMSVXEEPP-UHFFFAOYSA-N -1 3 266.772 3.480 20 30 CGEDHM CCCN(CCC#N)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232263953 818298123 /nfs/dbraw/zinc/29/81/23/818298123.db2.gz CHZVNQNLFFEBKT-UHFFFAOYSA-N -1 3 282.771 3.180 20 30 CGEDHM CN(Cc1ccc(C#N)cc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232971430 818488626 /nfs/dbraw/zinc/48/86/26/818488626.db2.gz KQZBEFRMXXJRHI-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM CC(C)[C@@H](Oc1cc([O-])cc(C#N)c1)C(F)(F)F ZINC001234141642 818789464 /nfs/dbraw/zinc/78/94/64/818789464.db2.gz PVXGYQKSOZJJKM-LLVKDONJSA-N -1 3 259.227 3.230 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H]2CCOc3ccccc32)c1 ZINC001234144946 818789775 /nfs/dbraw/zinc/78/97/75/818789775.db2.gz XSLONUOZWILXON-MRXNPFEDSA-N -1 3 267.284 3.166 20 30 CGEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1C#N ZINC001234143300 818790080 /nfs/dbraw/zinc/79/00/80/818790080.db2.gz CSLBGLZYIHGVEA-LLVKDONJSA-N -1 3 264.284 3.276 20 30 CGEDHM C=CC[C@H](CCCC)Oc1cccc([O-])c1C(N)=O ZINC001234153476 818793962 /nfs/dbraw/zinc/79/39/62/818793962.db2.gz NNPWXSZKMAFOTN-LLVKDONJSA-N -1 3 263.337 3.005 20 30 CGEDHM C#C[C@H](CC(C)C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234691326 818917018 /nfs/dbraw/zinc/91/70/18/818917018.db2.gz HGYXXDHKLBXEFQ-CQSZACIVSA-N -1 3 282.343 3.276 20 30 CGEDHM N#C[C@@H]1C[C@H](F)CN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234999299 818974153 /nfs/dbraw/zinc/97/41/53/818974153.db2.gz RRLORTUZMZWHES-HOTGVXAUSA-N -1 3 296.345 3.495 20 30 CGEDHM COc1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1C ZINC001236386754 819444874 /nfs/dbraw/zinc/44/48/74/819444874.db2.gz IVZGRJSABLIOSC-SDXDJHTJSA-N -1 3 268.316 3.190 20 30 CGEDHM C#C[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127400 819674156 /nfs/dbraw/zinc/67/41/56/819674156.db2.gz ZKNKNOBWEFHSFF-SNVBAGLBSA-N -1 3 267.731 3.030 20 30 CGEDHM CCCN(CCC#N)Cc1cc(F)c(Cl)cc1[O-] ZINC001237935252 819887938 /nfs/dbraw/zinc/88/79/38/819887938.db2.gz BCYKPTHWZOHUMY-UHFFFAOYSA-N -1 3 270.735 3.310 20 30 CGEDHM COc1cccc(OC)c1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001239672255 820508695 /nfs/dbraw/zinc/50/86/95/820508695.db2.gz GDTQVPPWPBJECU-JXAWBTAJSA-N -1 3 283.327 3.495 20 30 CGEDHM COc1cccc(OC)c1-c1cc(/C=N/[O-])ccc1F ZINC001239674798 820510995 /nfs/dbraw/zinc/51/09/95/820510995.db2.gz MYJAMOSORSLZQD-RQZCQDPDSA-N -1 3 275.279 3.318 20 30 CGEDHM Cn1ccc2cc(-c3ccc(/C=N/[O-])c(F)c3)cnc21 ZINC001240844190 821365583 /nfs/dbraw/zinc/36/55/83/821365583.db2.gz ATZVCFMFJSBDIF-GIJQJNRQSA-N -1 3 269.279 3.188 20 30 CGEDHM C[S@](=O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001241487242 821888913 /nfs/dbraw/zinc/88/89/13/821888913.db2.gz MWZUFVPPLPNSBZ-HVRVZBDQSA-N -1 3 277.320 3.038 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccc(OCC3CC3)nc2)c1 ZINC001242213144 822912742 /nfs/dbraw/zinc/91/27/42/822912742.db2.gz JPDXCDBNSVOHRL-GIJQJNRQSA-N -1 3 268.316 3.346 20 30 CGEDHM CCc1cc(-c2ccc([O-])c(C#N)c2)ccc1NC(C)=O ZINC001242564973 823035425 /nfs/dbraw/zinc/03/54/25/823035425.db2.gz DOAIZXMRQRGDMN-UHFFFAOYSA-N -1 3 280.327 3.452 20 30 CGEDHM O=C([C@H]1CCC[C@H](F)C1)N([O-])Cc1ccc(F)cc1 ZINC001339281774 936364112 /nfs/dbraw/zinc/36/41/12/936364112.db2.gz TUAFODSKRGOYMO-AAEUAGOBSA-N -1 3 269.291 3.072 20 30 CGEDHM CC[C@H](CC#N)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001343504975 936504457 /nfs/dbraw/zinc/50/44/57/936504457.db2.gz ZFSZZAUPYWMHAL-MRVPVSSYSA-N -1 3 293.273 3.350 20 30 CGEDHM C#CCC[C@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001345059901 936799743 /nfs/dbraw/zinc/79/97/43/936799743.db2.gz POBHDZHEBIYNGR-VIFPVBQESA-N -1 3 292.285 3.459 20 30 CGEDHM Cc1cc(Sc2cc(Cl)nc(=O)[n-]2)ccc1C#N ZINC001364558416 937232989 /nfs/dbraw/zinc/23/29/89/937232989.db2.gz BYGZGRXFGGDRHL-UHFFFAOYSA-N -1 3 277.736 3.167 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cc(C)ccc2C)o1 ZINC001202757161 928449745 /nfs/dbraw/zinc/44/97/45/928449745.db2.gz GPAPASYCQSMECH-UHFFFAOYSA-N -1 3 270.292 3.116 20 30 CGEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1sccc1[O-] ZINC001321268650 928501951 /nfs/dbraw/zinc/50/19/51/928501951.db2.gz BMLKKAFQCZMRON-UHFFFAOYSA-N -1 3 290.392 3.377 20 30 CGEDHM N#CCCCCNC(=O)c1cc2sccc2c([O-])c1 ZINC001443692920 937348243 /nfs/dbraw/zinc/34/82/43/937348243.db2.gz VQPZJQKITQYUQG-UHFFFAOYSA-N -1 3 274.345 3.031 20 30 CGEDHM C[C@]1(C(=O)N([O-])CCCCc2ccccc2)CCCOC1 ZINC001458009794 937448391 /nfs/dbraw/zinc/44/83/91/937448391.db2.gz RKARUSJQAICCSK-KRWDZBQOSA-N -1 3 291.391 3.044 20 30 CGEDHM C#C[C@H](C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229543146 932170319 /nfs/dbraw/zinc/17/03/19/932170319.db2.gz VSNDLEBVZYUIQP-ZDUSSCGKSA-N -1 3 280.323 3.332 20 30 CGEDHM C#C[C@@H](Oc1ccccc1-c1nnn[n-]1)[C@H](CC)CCCC ZINC001229954473 932510103 /nfs/dbraw/zinc/51/01/03/932510103.db2.gz LGNWPVQOAVDAHZ-UKRRQHHQSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@@H](Oc1ccccc1-c1nn[n-]n1)[C@H](CC)CCCC ZINC001229954473 932510104 /nfs/dbraw/zinc/51/01/04/932510104.db2.gz LGNWPVQOAVDAHZ-UKRRQHHQSA-N -1 3 298.390 3.464 20 30 CGEDHM CCCSCC(=O)N([O-])CCCCc1ccccc1 ZINC001306896481 932892930 /nfs/dbraw/zinc/89/29/30/932892930.db2.gz YWNDYWMSSWJDCU-UHFFFAOYSA-N -1 3 281.421 3.370 20 30 CGEDHM COc1cc(O)ccc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC001318242389 933698200 /nfs/dbraw/zinc/69/82/00/933698200.db2.gz ILWRILBTSCQROZ-YWEYNIOJSA-N -1 3 284.311 3.311 20 30 CGEDHM CC[C@H](C)CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC001472623183 937778392 /nfs/dbraw/zinc/77/83/92/937778392.db2.gz SYJLZVWWMIAANN-NSHDSACASA-N -1 3 253.317 3.370 20 30 CGEDHM C=CC[C@@H](C)NC(=O)c1ccc(OCCCC)cc1[O-] ZINC001472510448 937777244 /nfs/dbraw/zinc/77/72/44/937777244.db2.gz NQDSASSXFNKXEN-GFCCVEGCSA-N -1 3 277.364 3.266 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2cc(-c3ccccc3)on2)o1 ZINC001558935146 938218406 /nfs/dbraw/zinc/21/84/06/938218406.db2.gz BKUSSQPETZBIHX-UHFFFAOYSA-N -1 3 279.255 3.059 20 30 CGEDHM CCCCCCN([O-])C(=O)/C(=C\c1ccccc1)OC ZINC001559034812 938219162 /nfs/dbraw/zinc/21/91/62/938219162.db2.gz QEDNPMIFZHUEMT-FYWRMAATSA-N -1 3 277.364 3.472 20 30 CGEDHM Cc1sccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001559037024 938219178 /nfs/dbraw/zinc/21/91/78/938219178.db2.gz GKHQXMICQQFYMN-UHFFFAOYSA-N -1 3 265.309 3.227 20 30 CGEDHM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1ccc(C#N)cc1 ZINC000095004673 958327549 /nfs/dbraw/zinc/32/75/49/958327549.db2.gz JBVNHZOESKHSSR-SNVBAGLBSA-N -1 3 286.356 3.169 20 30 CGEDHM C=CC[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC001588539653 962758029 /nfs/dbraw/zinc/75/80/29/962758029.db2.gz SVVMYGBSBNLKOT-QMMMGPOBSA-N -1 3 264.329 3.063 20 30 CGEDHM C=CC[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC001588539653 962758043 /nfs/dbraw/zinc/75/80/43/962758043.db2.gz SVVMYGBSBNLKOT-QMMMGPOBSA-N -1 3 264.329 3.063 20 30 CGEDHM C=CCN(CCc1ccccc1)Cc1ccoc1C(=O)[O-] ZINC001588828598 963323060 /nfs/dbraw/zinc/32/30/60/963323060.db2.gz CZPMJRZMMZWLPT-UHFFFAOYSA-N -1 3 285.343 3.209 20 30 CGEDHM CC(C)C(CNc1c(C#N)cccc1-c1nnn[n-]1)C(C)C ZINC001589456250 963987439 /nfs/dbraw/zinc/98/74/39/963987439.db2.gz DMNHZDTTZTYGQG-UHFFFAOYSA-N -1 3 298.394 3.078 20 30 CGEDHM CC(C)C(CNc1c(C#N)cccc1-c1nn[n-]n1)C(C)C ZINC001589456250 963987442 /nfs/dbraw/zinc/98/74/42/963987442.db2.gz DMNHZDTTZTYGQG-UHFFFAOYSA-N -1 3 298.394 3.078 20 30 CGEDHM CCc1ccc([C@H](NCc2ccc(C#N)cc2)C(=O)[O-])cc1 ZINC000426810976 529726577 /nfs/dbraw/zinc/72/65/77/529726577.db2.gz KMNBVZDCGPCZNG-KRWDZBQOSA-N -1 3 294.354 3.036 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)n1C ZINC000041501615 344971588 /nfs/dbraw/zinc/97/15/88/344971588.db2.gz SDGMSOCRLGTVLN-LLVKDONJSA-N -1 3 295.367 3.433 20 30 CGEDHM Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c([O-])c1 ZINC000049632985 345074494 /nfs/dbraw/zinc/07/44/94/345074494.db2.gz UMKREADBOLQDQG-UHFFFAOYSA-N -1 3 266.300 3.019 20 30 CGEDHM C=CCN(Cc1ccccc1F)Cc1nc(C)ccc1[O-] ZINC000092404554 345837958 /nfs/dbraw/zinc/83/79/58/345837958.db2.gz XIFUKPLWMGGFBK-UHFFFAOYSA-N -1 3 286.350 3.423 20 30 CGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000405017568 346601988 /nfs/dbraw/zinc/60/19/88/346601988.db2.gz GEKJJIBETQNKRS-LBPRGKRZSA-N -1 3 285.384 3.157 20 30 CGEDHM N#Cc1cc(-c2ccc(OC[C@H]3CCCO3)cc2)ccc1[O-] ZINC000593953571 347122595 /nfs/dbraw/zinc/12/25/95/347122595.db2.gz OOMXHOZOTKNNJM-QGZVFWFLSA-N -1 3 295.338 3.489 20 30 CGEDHM Cc1cc(Cl)cc(NC(=O)CCCCC#N)c1[O-] ZINC000594331897 347170296 /nfs/dbraw/zinc/17/02/96/347170296.db2.gz LTUBPPYBVLMKDW-UHFFFAOYSA-N -1 3 266.728 3.377 20 30 CGEDHM CSc1ccc([O-])c(C(=O)NC2(C#N)CCCCC2)c1 ZINC000597035078 347529356 /nfs/dbraw/zinc/52/93/56/347529356.db2.gz ZAAQTIIFNXGQGW-UHFFFAOYSA-N -1 3 290.388 3.070 20 30 CGEDHM CCc1cccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000610579348 348391042 /nfs/dbraw/zinc/39/10/42/348391042.db2.gz OXPWVCVLGNELPN-LBPRGKRZSA-N -1 3 294.354 3.317 20 30 CGEDHM N#Cc1c2c(sc1[N-]C(=O)c1coc(C3CC3)n1)CCC2 ZINC000614392695 348672495 /nfs/dbraw/zinc/67/24/95/348672495.db2.gz FEHAHVSVTGLXFS-UHFFFAOYSA-N -1 3 299.355 3.226 20 30 CGEDHM C=C(C)C[C@@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023253 348782574 /nfs/dbraw/zinc/78/25/74/348782574.db2.gz QWRZJUCWFSQGKG-GFCCVEGCSA-N -1 3 284.359 3.159 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000617781964 349010837 /nfs/dbraw/zinc/01/08/37/349010837.db2.gz WFWBYCZPTAXKQQ-AWEZNQCLSA-N -1 3 273.376 3.437 20 30 CGEDHM N#Cc1c([N-]C(=O)c2nccs2)sc2c1CCCC2 ZINC000618623217 349127769 /nfs/dbraw/zinc/12/77/69/349127769.db2.gz QHBNEMVPKDBQAV-UHFFFAOYSA-N -1 3 289.385 3.207 20 30 CGEDHM C=CCCCN(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000625723941 350204195 /nfs/dbraw/zinc/20/41/95/350204195.db2.gz BOFZITVGRFKJGV-UHFFFAOYSA-N -1 3 298.180 3.193 20 30 CGEDHM Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)c([O-])c1C ZINC000436541096 237123772 /nfs/dbraw/zinc/12/37/72/237123772.db2.gz VWRIHGHAFGRCBS-UHFFFAOYSA-N -1 3 280.327 3.441 20 30 CGEDHM N#Cc1cnc(Sc2cccc([O-])c2)c(Cl)c1 ZINC000302148441 201367048 /nfs/dbraw/zinc/36/70/48/201367048.db2.gz SHDNCOVMYCQZIR-UHFFFAOYSA-N -1 3 262.721 3.463 20 30 CGEDHM CC(C)N(CCC#N)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000537639026 376190619 /nfs/dbraw/zinc/19/06/19/376190619.db2.gz XEIHXKJXICJGIO-UHFFFAOYSA-N -1 3 286.375 3.035 20 30 CGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccsc1 ZINC000122866396 370907452 /nfs/dbraw/zinc/90/74/52/370907452.db2.gz OAZHTLPNASVQOT-NSHDSACASA-N -1 3 281.340 3.125 20 30 CGEDHM N#CC(=C([O-])c1ccsc1)c1nc2ccccc2[nH]1 ZINC000041496317 369188182 /nfs/dbraw/zinc/18/81/82/369188182.db2.gz FSMRYLCYLDHFDJ-JTQLQIEISA-N -1 3 267.313 3.114 20 30 CGEDHM Cc1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1[O-] ZINC000156967203 372001673 /nfs/dbraw/zinc/00/16/73/372001673.db2.gz AKKCXLSBNNOPBF-INIZCTEOSA-N -1 3 294.354 3.476 20 30 CGEDHM Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000156953096 372000903 /nfs/dbraw/zinc/00/09/03/372000903.db2.gz ASKOBAZMCGPTFG-MRXNPFEDSA-N -1 3 294.354 3.476 20 30 CGEDHM C=CCOc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000426689477 372169341 /nfs/dbraw/zinc/16/93/41/372169341.db2.gz YXJJKSVUXRCDAM-UHFFFAOYSA-N -1 3 297.354 3.239 20 30 CGEDHM C=C(C)[C@H]1OCC[C@H]1CNCc1cccc([O-])c1Cl ZINC000293189795 372321870 /nfs/dbraw/zinc/32/18/70/372321870.db2.gz HYIQHXDNWZJMMF-SWLSCSKDSA-N -1 3 281.783 3.116 20 30 CGEDHM N#CC(=C([O-])c1ccnc2ccccc21)c1ccccn1 ZINC000161936118 372362388 /nfs/dbraw/zinc/36/23/88/372362388.db2.gz HAMLRUUTXRWRHZ-CQSZACIVSA-N -1 3 273.295 3.120 20 30 CGEDHM C=CCC(F)(F)C(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000294507532 372658602 /nfs/dbraw/zinc/65/86/02/372658602.db2.gz BMPDZUPCVHTRJP-UHFFFAOYSA-N -1 3 299.317 3.467 20 30 CGEDHM C#C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(C)C ZINC000295185761 372696156 /nfs/dbraw/zinc/69/61/56/372696156.db2.gz SLJSELVESNOYDW-KRWDZBQOSA-N -1 3 295.382 3.252 20 30 CGEDHM C=CCCC1(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000436870970 372842601 /nfs/dbraw/zinc/84/26/01/372842601.db2.gz OJENEFVGYXIPKK-UHFFFAOYSA-N -1 3 256.305 3.440 20 30 CGEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000439670119 372981003 /nfs/dbraw/zinc/98/10/03/372981003.db2.gz FGXMTWUKRICIEV-NSHDSACASA-N -1 3 295.367 3.433 20 30 CGEDHM C=CCCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443568613 373158955 /nfs/dbraw/zinc/15/89/55/373158955.db2.gz SAMOEWSAZWHFQH-UHFFFAOYSA-N -1 3 275.226 3.196 20 30 CGEDHM CC1(C)CCC[C@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328660464 374374926 /nfs/dbraw/zinc/37/49/26/374374926.db2.gz VKSRHXLWJZJGLJ-JTQLQIEISA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCC[C@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328660464 374374930 /nfs/dbraw/zinc/37/49/30/374374930.db2.gz VKSRHXLWJZJGLJ-JTQLQIEISA-N -1 3 290.342 3.370 20 30 CGEDHM CC1(C)CCC[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328660464 374374936 /nfs/dbraw/zinc/37/49/36/374374936.db2.gz VKSRHXLWJZJGLJ-JTQLQIEISA-N -1 3 290.342 3.370 20 30 CGEDHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000330625716 374486829 /nfs/dbraw/zinc/48/68/29/374486829.db2.gz HYXSCOKNDNRPGM-WCQYABFASA-N -1 3 277.364 3.074 20 30 CGEDHM CCc1c(C)sc([N-]C(=O)c2ocnc2C)c1C#N ZINC000336074077 375665941 /nfs/dbraw/zinc/66/59/41/375665941.db2.gz OORUTYAHQGQJBI-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM C=C(C)C[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000545246780 376801842 /nfs/dbraw/zinc/80/18/42/376801842.db2.gz VOUZCLMQCUGZPI-GFCCVEGCSA-N -1 3 283.375 3.348 20 30 CGEDHM CC[C@H](CC#N)NCc1ccc([O-])c2nc(C)ccc12 ZINC000569739166 377529385 /nfs/dbraw/zinc/52/93/85/377529385.db2.gz KRBLGVWAOWVVFF-CYBMUJFWSA-N -1 3 269.348 3.031 20 30 CGEDHM C=CCn1c(SCCCc2ccc(C)cc2)n[n-]c1=O ZINC000342558210 377657946 /nfs/dbraw/zinc/65/79/46/377657946.db2.gz FNTQKOXOGOJFLT-UHFFFAOYSA-N -1 3 289.404 3.203 20 30 CGEDHM CC(C)(C#N)CCCO[N-]C(=O)c1c(F)cccc1Cl ZINC000269361254 378211299 /nfs/dbraw/zinc/21/12/99/378211299.db2.gz VTAJQJFLWVVNND-UHFFFAOYSA-N -1 3 298.745 3.470 20 30 CGEDHM C=C(C)[C@@H](CC(=O)N1CCCc2cccc([O-])c21)OCC ZINC000272542059 378661566 /nfs/dbraw/zinc/66/15/66/378661566.db2.gz RUSZZZRAVKSUJO-OAHLLOKOSA-N -1 3 289.375 3.043 20 30 CGEDHM C=CCN(C(=O)c1c[n-]c2c(C)cccc2c1=O)C1CC1 ZINC000275139818 378942880 /nfs/dbraw/zinc/94/28/80/378942880.db2.gz PUIDNVAKIKNWLF-UHFFFAOYSA-N -1 3 282.343 3.039 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCC1CCCCCC1 ZINC000352368225 379782827 /nfs/dbraw/zinc/78/28/27/379782827.db2.gz FWPJLOFOUTTZGI-UHFFFAOYSA-N -1 3 267.398 3.232 20 30 CGEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412233994 392998156 /nfs/dbraw/zinc/99/81/56/392998156.db2.gz PIPDGMVAYDPBAO-LLVKDONJSA-N -1 3 275.348 3.069 20 30 CGEDHM C=CCCCN(C)C(=O)c1cc(SC)ccc1[O-] ZINC000668941015 543076724 /nfs/dbraw/zinc/07/67/24/543076724.db2.gz JIVHWNJJTXWOOF-UHFFFAOYSA-N -1 3 265.378 3.152 20 30 CGEDHM Cc1cccnc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000674299173 543280064 /nfs/dbraw/zinc/28/00/64/543280064.db2.gz GYXFHMVDMKQQND-AWEZNQCLSA-N -1 3 287.322 3.428 20 30 CGEDHM C=CCCCN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652421492 418966515 /nfs/dbraw/zinc/96/65/15/418966515.db2.gz XZKBWMNRPWPMGX-UHFFFAOYSA-N -1 3 267.756 3.436 20 30 CGEDHM C=CCN(Cc1cccs1)C(=O)c1cccc([O-])c1 ZINC000355403089 262366222 /nfs/dbraw/zinc/36/62/22/262366222.db2.gz SNNUWYNGKSFIPO-UHFFFAOYSA-N -1 3 273.357 3.282 20 30 CGEDHM C=CCC(F)(F)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000293637897 263145646 /nfs/dbraw/zinc/14/56/46/263145646.db2.gz YLEKBFCDZZASOF-SNVBAGLBSA-N -1 3 281.302 3.444 20 30 CGEDHM CCc1ccc([O-])c(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000330813617 264044883 /nfs/dbraw/zinc/04/48/83/264044883.db2.gz LDRFHAIEFXNGAZ-GXTWGEPZSA-N -1 3 291.391 3.464 20 30 CGEDHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1sccc1C#N ZINC000530446534 268075341 /nfs/dbraw/zinc/07/53/41/268075341.db2.gz XNUBFKLJVWPVKN-UHFFFAOYSA-N -1 3 287.344 3.121 20 30 CGEDHM CC(C)(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000274292059 328210650 /nfs/dbraw/zinc/21/06/50/328210650.db2.gz CUHWGTHCIJLMPZ-AWEZNQCLSA-N -1 3 280.318 3.223 20 30 CGEDHM CSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000041493970 328708876 /nfs/dbraw/zinc/70/88/76/328708876.db2.gz KDZBBHHZQUXBIA-LBPRGKRZSA-N -1 3 268.341 3.294 20 30 CGEDHM C=C1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC1 ZINC000274986667 330108492 /nfs/dbraw/zinc/10/84/92/330108492.db2.gz WJDDLSBMSWFZGN-UHFFFAOYSA-N -1 3 282.343 3.041 20 30 CGEDHM CCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2F)c([O-])c1 ZINC000436822768 330685950 /nfs/dbraw/zinc/68/59/50/330685950.db2.gz XAIRRWHVGRVFQC-HNNXBMFYSA-N -1 3 298.317 3.088 20 30 CGEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000451805949 331043041 /nfs/dbraw/zinc/04/30/41/331043041.db2.gz ZFVCZPVNOKBZMI-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM C=CC(C)(C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000452778125 331077105 /nfs/dbraw/zinc/07/71/05/331077105.db2.gz WYRSCDSGEDEYCO-UHFFFAOYSA-N -1 3 287.281 3.353 20 30 CGEDHM C=CCC(C)(C)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453190163 331099261 /nfs/dbraw/zinc/09/92/61/331099261.db2.gz SNQUEFZETWSVRA-UHFFFAOYSA-N -1 3 276.311 3.359 20 30 CGEDHM Cc1ccc2c(CN[C@@H]3CCC[C@@H]3C#N)ccc([O-])c2n1 ZINC000459489247 331284781 /nfs/dbraw/zinc/28/47/81/331284781.db2.gz XMLPGMRQLVHECW-IUODEOHRSA-N -1 3 281.359 3.031 20 30 CGEDHM CC(C)O[N-]C(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000493449621 332440678 /nfs/dbraw/zinc/44/06/78/332440678.db2.gz IAJAMVLBIUCUNR-HJWRWDBZSA-N -1 3 297.358 3.024 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1cccc(OC(C)C)c1 ZINC000493499261 332442836 /nfs/dbraw/zinc/44/28/36/332442836.db2.gz ZYIRIKPBANOGTI-LXKVQUBZSA-N -1 3 275.348 3.109 20 30 CGEDHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329986386 534144229 /nfs/dbraw/zinc/14/42/29/534144229.db2.gz RUHVIDRVGXNGIG-BDAKNGLRSA-N -1 3 268.382 3.368 20 30 CGEDHM Cn1c(C#N)ccc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000449153249 534678830 /nfs/dbraw/zinc/67/88/30/534678830.db2.gz JEEAJIZZESMOEU-UHFFFAOYSA-N -1 3 297.358 3.152 20 30 CGEDHM C=CCN(CCc1ccccc1)Cc1nc(C)ccc1[O-] ZINC000352753308 526314069 /nfs/dbraw/zinc/31/40/69/526314069.db2.gz DJWZBUPQUICTMR-UHFFFAOYSA-N -1 3 282.387 3.326 20 30 CGEDHM C=CCSCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000353490968 527001785 /nfs/dbraw/zinc/00/17/85/527001785.db2.gz LPCGRZORESYTSE-UHFFFAOYSA-N -1 3 287.384 3.194 20 30 CGEDHM [O-]c1ccc(Br)cc1C=NNC1CCCC1 ZINC000727652515 571760231 /nfs/dbraw/zinc/76/02/31/571760231.db2.gz KRAAOTHNFYXWFG-UHFFFAOYSA-N -1 3 283.169 3.021 20 30 CGEDHM COc1c(O)cccc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728232977 571797418 /nfs/dbraw/zinc/79/74/18/571797418.db2.gz ZNBADUYPSJDBIU-RMKNXTFCSA-N -1 3 284.311 3.311 20 30 CGEDHM COc1ccc(C[C@@H](C)/N=C\c2ccccc2[O-])cc1OC ZINC000730147151 571950910 /nfs/dbraw/zinc/95/09/10/571950910.db2.gz LCFOLVSYRDLEMJ-CQLSMYGBSA-N -1 3 299.370 3.460 20 30 CGEDHM CC(=NNc1ccc(Cl)nc1)c1ccccc1[O-] ZINC000743451034 572398968 /nfs/dbraw/zinc/39/89/68/572398968.db2.gz XYAFRFISXKZABA-UHFFFAOYSA-N -1 3 261.712 3.277 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\[C@@H]2C[C@H]2C2CCCCC2)c1O ZINC000741465776 572500500 /nfs/dbraw/zinc/50/05/00/572500500.db2.gz YHBRABZRKVNPRB-PPCKYFQJSA-N -1 3 275.348 3.191 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000734366569 572649738 /nfs/dbraw/zinc/64/97/38/572649738.db2.gz XNXQCYMTKIEHSC-XDNFDDDSSA-N -1 3 290.407 3.223 20 30 CGEDHM COc1cccc([O-])c1C=Nc1cccc(N(C)C(C)=O)c1 ZINC000745977638 572846718 /nfs/dbraw/zinc/84/67/18/572846718.db2.gz ZBXQQCHEGLVFCZ-UHFFFAOYSA-N -1 3 298.342 3.134 20 30 CGEDHM CCO[C@@H](CC/N=C/c1c([O-])cccc1OC)C(C)C ZINC000746391840 572868858 /nfs/dbraw/zinc/86/88/58/572868858.db2.gz BWCOYUGKVPCHJJ-VUVCFOEZSA-N -1 3 279.380 3.271 20 30 CGEDHM C[C@H](/N=C\c1ccc(O)c([O-])c1O)[C@@H](C)c1ccccc1 ZINC000746815768 572896959 /nfs/dbraw/zinc/89/69/59/572896959.db2.gz NDSCVNDUKPJUGV-OQUOYJOKSA-N -1 3 285.343 3.415 20 30 CGEDHM O=C(OCC#Cc1ccccc1Cl)c1ccc([O-])cc1 ZINC000746964282 572902027 /nfs/dbraw/zinc/90/20/27/572902027.db2.gz BFWARBJUBAMZQT-UHFFFAOYSA-N -1 3 286.714 3.254 20 30 CGEDHM [O-]c1c(O)ccc(C=NNc2cccc3ccccc32)c1O ZINC000747059837 572907238 /nfs/dbraw/zinc/90/72/38/572907238.db2.gz AVEDQECKXSLTFH-UHFFFAOYSA-N -1 3 294.310 3.403 20 30 CGEDHM O=C1c2cccc([O-])c2C/C1=C\c1ccc(Cl)nc1 ZINC000748998069 572987856 /nfs/dbraw/zinc/98/78/56/572987856.db2.gz JKXQLIKKQIIJIC-UXBLZVDNSA-N -1 3 271.703 3.263 20 30 CGEDHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(C#N)c(F)c1 ZINC000820141812 598195866 /nfs/dbraw/zinc/19/58/66/598195866.db2.gz IRMMMQUHCNNPIJ-NSHDSACASA-N -1 3 298.317 3.246 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cn(C)nc2C2CC2)ccc1[O-] ZINC000899353092 620650133 /nfs/dbraw/zinc/65/01/33/620650133.db2.gz ISPSTVLIYIEXOC-SOFGYWHQSA-N -1 3 282.343 3.208 20 30 CGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822225351 606387769 /nfs/dbraw/zinc/38/77/69/606387769.db2.gz ZRBPUDBBNUJIRG-SOFGYWHQSA-N -1 3 296.355 3.133 20 30 CGEDHM CC(C)CCCC(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820241602 606988948 /nfs/dbraw/zinc/98/89/48/606988948.db2.gz HVVNEONFLJDZCY-UHFFFAOYSA-N -1 3 286.383 3.481 20 30 CGEDHM CC(C)CCCC(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820241602 606988949 /nfs/dbraw/zinc/98/89/49/606988949.db2.gz HVVNEONFLJDZCY-UHFFFAOYSA-N -1 3 286.383 3.481 20 30 CGEDHM C[C@H]1CCC[C@H](CN=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824927550 608533548 /nfs/dbraw/zinc/53/35/48/608533548.db2.gz PNBYHBRFAZXJTH-RYUDHWBXSA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@H]1CCC[C@H](CN=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824927550 608533549 /nfs/dbraw/zinc/53/35/49/608533549.db2.gz PNBYHBRFAZXJTH-RYUDHWBXSA-N -1 3 284.367 3.091 20 30 CGEDHM C=CCCC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000823893933 608588510 /nfs/dbraw/zinc/58/85/10/608588510.db2.gz BRXXSQWOBKHPEP-SNVBAGLBSA-N -1 3 275.331 3.163 20 30 CGEDHM C=CCCC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000823893933 608588512 /nfs/dbraw/zinc/58/85/12/608588512.db2.gz BRXXSQWOBKHPEP-SNVBAGLBSA-N -1 3 275.331 3.163 20 30 CGEDHM C=CCCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823894911 608588598 /nfs/dbraw/zinc/58/85/98/608588598.db2.gz ZNNLOFCFMZZXBZ-SNVBAGLBSA-N -1 3 275.331 3.163 20 30 CGEDHM N#CCCN(Cc1ccco1)Cc1ccc([O-])c(F)c1 ZINC000891465311 618227210 /nfs/dbraw/zinc/22/72/10/618227210.db2.gz QPSNHLVQCGWSRL-UHFFFAOYSA-N -1 3 274.295 3.040 20 30 CGEDHM COc1ccc(Cl)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255568210 618714036 /nfs/dbraw/zinc/71/40/36/618714036.db2.gz ZCSZASJGHLXWTB-UHFFFAOYSA-N -1 3 293.706 3.216 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1ccccc1 ZINC000255662655 618773659 /nfs/dbraw/zinc/77/36/59/618773659.db2.gz ROKCGGMFPWXPIE-GESOSKEOSA-N -1 3 275.735 3.198 20 30 CGEDHM CC(=NN[C@H](C)C(C)(C)C)c1ccc([O-])cc1F ZINC000793113895 619679652 /nfs/dbraw/zinc/67/96/52/619679652.db2.gz HQORDGGMAINZTI-SNVBAGLBSA-N -1 3 252.333 3.280 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1ccccn1 ZINC000046439846 619732744 /nfs/dbraw/zinc/73/27/44/619732744.db2.gz UBRGQRWIZUFROE-HSBSLETESA-N -1 3 266.275 3.110 20 30 CGEDHM C=C[C@H](CC(=O)[N-]OC[C@@H](C)CC)c1ccccc1 ZINC000794863288 619777517 /nfs/dbraw/zinc/77/75/17/619777517.db2.gz HNXIRIIVQKYFMT-UONOGXRCSA-N -1 3 261.365 3.440 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccccc2OC)ccc1[O-] ZINC000008322732 620372618 /nfs/dbraw/zinc/37/26/18/620372618.db2.gz RLGLSTHSACCGSH-VQHVLOKHSA-N -1 3 284.311 3.306 20 30 CGEDHM CC(=NOCCC(F)(F)F)c1ccc(F)c([O-])c1 ZINC000901222586 620847144 /nfs/dbraw/zinc/84/71/44/620847144.db2.gz LZFUPAYZOKUONM-UHFFFAOYSA-N -1 3 265.206 3.224 20 30 CGEDHM CC(=NNC[C@H]1CCCC1(F)F)c1ccc(F)c([O-])c1 ZINC000901272300 620847853 /nfs/dbraw/zinc/84/78/53/620847853.db2.gz XCEQWCKOWKIYAY-LLVKDONJSA-N -1 3 286.297 3.280 20 30 CGEDHM COc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)o1 ZINC000901370122 620865606 /nfs/dbraw/zinc/86/56/06/620865606.db2.gz RULKBMOLDDIWNY-UHFFFAOYSA-N -1 3 297.310 3.473 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cccs1 ZINC000901371310 620866341 /nfs/dbraw/zinc/86/63/41/620866341.db2.gz ADRUUESOKGALJL-SNVBAGLBSA-N -1 3 279.336 3.409 20 30 CGEDHM CC1(C)CO[C@H](CCC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901371391 620866609 /nfs/dbraw/zinc/86/66/09/620866609.db2.gz AWDNGTDLQDCJHC-CQSZACIVSA-N -1 3 295.354 3.139 20 30 CGEDHM O=C(N([O-])Cc1ccc(F)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000901372115 620866737 /nfs/dbraw/zinc/86/67/37/620866737.db2.gz RDGOONOMENCSFH-WFASDCNBSA-N -1 3 263.312 3.124 20 30 CGEDHM C[C@H]1CCC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901375477 620867955 /nfs/dbraw/zinc/86/79/55/620867955.db2.gz IVPDGKMQKXUNEX-AAEUAGOBSA-N -1 3 265.328 3.370 20 30 CGEDHM CCCC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375004 620868243 /nfs/dbraw/zinc/86/82/43/620868243.db2.gz ACDXSESJNHNLTR-UHFFFAOYSA-N -1 3 253.317 3.370 20 30 CGEDHM CC(C)n1cncc1/C=C1/CCc2cc([O-])ccc2C1=O ZINC000901469520 620896709 /nfs/dbraw/zinc/89/67/09/620896709.db2.gz BOYHTGPQPBVGIH-QPEQYQDCSA-N -1 3 282.343 3.382 20 30 CGEDHM Cc1cc(C(=O)C=Cc2nc(C(C)C)c[nH]2)cc(O)c1[O-] ZINC000901523913 620914243 /nfs/dbraw/zinc/91/42/43/620914243.db2.gz PNYQISZYVGCNHF-PLNGDYQASA-N -1 3 286.331 3.149 20 30 CGEDHM O=C([C@@H]1CC=CCC1)N([O-])Cc1ccccc1Cl ZINC000904187382 621882900 /nfs/dbraw/zinc/88/29/00/621882900.db2.gz KNTXSGCFQDIDPY-LLVKDONJSA-N -1 3 265.740 3.414 20 30 CGEDHM CN(CC(=O)N([O-])Cc1cccc2ccccc21)C1CCC1 ZINC000904172650 621884265 /nfs/dbraw/zinc/88/42/65/621884265.db2.gz IJGBCSMQQWSATR-UHFFFAOYSA-N -1 3 298.386 3.042 20 30 CGEDHM C=C(CC)CN[C@H](C(=O)[O-])c1ccccc1Br ZINC000905402550 622067438 /nfs/dbraw/zinc/06/74/38/622067438.db2.gz YOTVOOXMHRIEIY-LBPRGKRZSA-N -1 3 298.180 3.131 20 30 CGEDHM CCCCc1nnc([N-]C(=O)c2ccsc2C#N)s1 ZINC000906368672 622228529 /nfs/dbraw/zinc/22/85/29/622228529.db2.gz VPQPGWFZRHTJAL-UHFFFAOYSA-N -1 3 292.389 3.066 20 30 CGEDHM C=CCN(CC=C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788305088 626247391 /nfs/dbraw/zinc/24/73/91/626247391.db2.gz KYWGOIRZYSXPOA-UHFFFAOYSA-N -1 3 273.357 3.421 20 30 CGEDHM CC1(C)C[C@H](/N=C\c2cc(Cl)ccc2[O-])CCO1 ZINC000753884468 626468297 /nfs/dbraw/zinc/46/82/97/626468297.db2.gz DHOWXCDDEZYOMD-DZZSIBQASA-N -1 3 267.756 3.422 20 30 CGEDHM [O-]c1ccc(C=NNc2ccnc3cc(Cl)ccc32)nc1 ZINC000755471739 626625162 /nfs/dbraw/zinc/62/51/62/626625162.db2.gz LNPKTDQZXKCWBS-UHFFFAOYSA-N -1 3 298.733 3.435 20 30 CGEDHM C[C@H](C[C@H]1CCOC1)/N=C/c1cc(Cl)ccc1[O-] ZINC000759644943 626911221 /nfs/dbraw/zinc/91/12/21/626911221.db2.gz VWZMWNADEVUHET-YAGJMYGCSA-N -1 3 267.756 3.280 20 30 CGEDHM C=C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000769337632 627543467 /nfs/dbraw/zinc/54/34/67/627543467.db2.gz GPPNEISFQLZTAW-UHFFFAOYSA-N -1 3 282.181 3.307 20 30 CGEDHM C=CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000772379789 627788756 /nfs/dbraw/zinc/78/87/56/627788756.db2.gz BFQFDJLSZRHQSK-UHFFFAOYSA-N -1 3 279.767 3.399 20 30 CGEDHM CC(C)[C@@H](O)C1(C/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000775629419 628115670 /nfs/dbraw/zinc/11/56/70/628115670.db2.gz HFQXNNVPAGVLJA-XPGOGFAUSA-N -1 3 281.783 3.262 20 30 CGEDHM CC(=NNCCOC(C)C)c1ccc2ccccc2c1[O-] ZINC000778554156 628357129 /nfs/dbraw/zinc/35/71/29/628357129.db2.gz NEQXREZOAXITJD-UHFFFAOYSA-N -1 3 286.375 3.284 20 30 CGEDHM CC[C@@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CO1 ZINC000863125440 629480401 /nfs/dbraw/zinc/48/04/01/629480401.db2.gz WCPIWWRSNFJOOO-SNVBAGLBSA-N -1 3 288.376 3.259 20 30 CGEDHM C[C@H]1O[C@@H](C)CC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863124895 629480502 /nfs/dbraw/zinc/48/05/02/629480502.db2.gz HIBDHPDJSXMLRZ-DTWKUNHWSA-N -1 3 288.376 3.258 20 30 CGEDHM C[C@H]1OCC(N=Nc2nc3ccccc3[n-]c2=S)[C@H]1C ZINC000863125324 629480774 /nfs/dbraw/zinc/48/07/74/629480774.db2.gz STVDVRLQTGXEQN-DTWKUNHWSA-N -1 3 288.376 3.115 20 30 CGEDHM [O-]c1ccc(F)c(C=NNc2ccc(F)cc2F)c1F ZINC000794444972 629542877 /nfs/dbraw/zinc/54/28/77/629542877.db2.gz HSLGXTFFRPHBEQ-UHFFFAOYSA-N -1 3 284.212 3.395 20 30 CGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccnc(F)c1 ZINC000794722920 629572516 /nfs/dbraw/zinc/57/25/16/629572516.db2.gz ZBHKCIFOZFFINA-IWQZZHSRSA-N -1 3 279.217 3.101 20 30 CGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cncs1 ZINC000794942038 629603836 /nfs/dbraw/zinc/60/38/36/629603836.db2.gz GLQJUXAYQGBUOX-IWQZZHSRSA-N -1 3 267.256 3.023 20 30 CGEDHM CC1(C)SC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000801645720 630349513 /nfs/dbraw/zinc/34/95/13/630349513.db2.gz FPOZXCSTYXFYRY-MQOXYSQQSA-N -1 3 255.770 3.359 20 30 CGEDHM C#CCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810542881 630889863 /nfs/dbraw/zinc/88/98/63/630889863.db2.gz QDYDPJQQALLZFT-UHFFFAOYSA-N -1 3 253.710 3.063 20 30 CGEDHM C#C[C@@H](CC)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810679858 630926278 /nfs/dbraw/zinc/92/62/78/630926278.db2.gz WFUMKZPKSBPFCS-QMMMGPOBSA-N -1 3 267.737 3.451 20 30 CGEDHM Cc1cccc(C)c1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187366 631042197 /nfs/dbraw/zinc/04/21/97/631042197.db2.gz PRGGFDWOVFYMSC-UHFFFAOYSA-N -1 3 281.311 3.238 20 30 CGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cccc(C#N)c1 ZINC000811188360 631042328 /nfs/dbraw/zinc/04/23/28/631042328.db2.gz GYVPCDVRQMEURY-LLVKDONJSA-N -1 3 292.294 3.054 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000815784913 631824194 /nfs/dbraw/zinc/82/41/94/631824194.db2.gz OEGZUICZMNQDNK-SNVBAGLBSA-N -1 3 287.693 3.101 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(SC2CC2)cc1 ZINC000824028260 633183494 /nfs/dbraw/zinc/18/34/94/633183494.db2.gz CSSBHFIUVUDLSK-UHFFFAOYSA-N -1 3 277.389 3.108 20 30 CGEDHM C[C@@H]1CCCC[C@@H]1CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824939915 633308168 /nfs/dbraw/zinc/30/81/68/633308168.db2.gz XZVTZGRZTXSBNP-DGCLKSJQSA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@@H]1CCCC[C@@H]1CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824939915 633308171 /nfs/dbraw/zinc/30/81/71/633308171.db2.gz XZVTZGRZTXSBNP-DGCLKSJQSA-N -1 3 284.367 3.091 20 30 CGEDHM CO[C@@H]1CCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000840710808 635039978 /nfs/dbraw/zinc/03/99/78/635039978.db2.gz VDHZQWVSGYHZRD-DTJUADOXSA-N -1 3 298.180 3.141 20 30 CGEDHM Cc1cc([O-])c(CN(C[C@@H](C)C#N)C2CC2)c(Cl)c1 ZINC000840922985 635082363 /nfs/dbraw/zinc/08/23/63/635082363.db2.gz QQUKKGHVQSSVDN-NSHDSACASA-N -1 3 278.783 3.478 20 30 CGEDHM CC[C@H](CC#N)NCc1c([O-])cc(C)cc1Cl ZINC000840938289 635086128 /nfs/dbraw/zinc/08/61/28/635086128.db2.gz AUAZLXOVEYGPDE-SNVBAGLBSA-N -1 3 252.745 3.136 20 30 CGEDHM CC(=NNC12CC(C1)C2)c1ccc2ccccc2c1[O-] ZINC000842546794 635399447 /nfs/dbraw/zinc/39/94/47/635399447.db2.gz BWMXRNRUDKZFAB-UHFFFAOYSA-N -1 3 266.344 3.412 20 30 CGEDHM CC(=NNC12CC(C1)C2)c1cc(Br)ccc1[O-] ZINC000842547612 635401105 /nfs/dbraw/zinc/40/11/05/635401105.db2.gz QWVCKUCSXNWPJL-UHFFFAOYSA-N -1 3 295.180 3.021 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000844654699 635950829 /nfs/dbraw/zinc/95/08/29/635950829.db2.gz RTKMZWFAGGJGKX-SNVBAGLBSA-N -1 3 295.408 3.430 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cccc(Cl)c1Cl ZINC000846555714 636201835 /nfs/dbraw/zinc/20/18/35/636201835.db2.gz UVHAVLGNAMAYAG-MRVPVSSYSA-N -1 3 274.147 3.158 20 30 CGEDHM N#CC[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000855256984 638162419 /nfs/dbraw/zinc/16/24/19/638162419.db2.gz UVVKTYIGISRFNP-ZDUSSCGKSA-N -1 3 294.354 3.311 20 30 CGEDHM C=CCCO[N-]C(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000856033660 638288621 /nfs/dbraw/zinc/28/86/21/638288621.db2.gz MNLRYKWBVMBGQJ-UHFFFAOYSA-N -1 3 277.339 3.162 20 30 CGEDHM N#CCCCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924084669 638297516 /nfs/dbraw/zinc/29/75/16/638297516.db2.gz UOMMELPFONUDEK-UHFFFAOYSA-N -1 3 293.273 3.351 20 30 CGEDHM C=CCC1(C(=O)[N-]OCC2CCC2)CCCCC1 ZINC000856344206 638346274 /nfs/dbraw/zinc/34/62/74/638346274.db2.gz KARPWRIHQKPRGB-UHFFFAOYSA-N -1 3 251.370 3.361 20 30 CGEDHM CCOC(=O)C[C@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000089574601 640652190 /nfs/dbraw/zinc/65/21/90/640652190.db2.gz PIJTUMHHRSAVOJ-JSJZUPIVSA-N -1 3 283.755 3.054 20 30 CGEDHM CCCCCCN([O-])C(=O)COCc1ccccc1C ZINC001161826984 806465823 /nfs/dbraw/zinc/46/58/23/806465823.db2.gz RLHHQWSUUDKTEO-UHFFFAOYSA-N -1 3 279.380 3.310 20 30 CGEDHM C#C[C@H](NC(=O)c1cccc(CC)c1[O-])c1ccccc1 ZINC001163096342 806702203 /nfs/dbraw/zinc/70/22/03/806702203.db2.gz BQCUUJXZANLXQU-INIZCTEOSA-N -1 3 279.339 3.059 20 30 CGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1ccco1 ZINC000122633025 798992307 /nfs/dbraw/zinc/99/23/07/798992307.db2.gz GDGJJOKQVVSWEA-MMQHEFTJSA-N -1 3 291.310 3.056 20 30 CGEDHM N#Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001244331800 803309918 /nfs/dbraw/zinc/30/99/18/803309918.db2.gz VAIASCQRQIRGJD-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM N#Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001244331800 803309925 /nfs/dbraw/zinc/30/99/25/803309925.db2.gz VAIASCQRQIRGJD-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM Cc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1C#N ZINC001244494550 803402555 /nfs/dbraw/zinc/40/25/55/803402555.db2.gz RABRRSWYQWROML-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1C#N ZINC001244494550 803402561 /nfs/dbraw/zinc/40/25/61/803402561.db2.gz RABRRSWYQWROML-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cnc(OC(C)C)nc2)cc1 ZINC001245263334 803683739 /nfs/dbraw/zinc/68/37/39/803683739.db2.gz CTZJIRLAIWYTAW-WOJGMQOQSA-N -1 3 271.320 3.129 20 30 CGEDHM N#CCc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212011051 814967146 /nfs/dbraw/zinc/96/71/46/814967146.db2.gz OPDJDWQOQCLDQN-UHFFFAOYSA-N -1 3 260.243 3.480 20 30 CGEDHM C=CCn1c(SCC2CCC(C)(C)CC2)n[n-]c1=O ZINC001165842675 807022582 /nfs/dbraw/zinc/02/25/82/807022582.db2.gz XJOBACGPSDUBQY-UHFFFAOYSA-N -1 3 281.425 3.478 20 30 CGEDHM C=CCCCCN(C)Cc1ccc([O-])c(F)c1F ZINC001140892114 804543650 /nfs/dbraw/zinc/54/36/50/804543650.db2.gz AMVNHGRTYBCQSF-UHFFFAOYSA-N -1 3 255.308 3.459 20 30 CGEDHM CC(=O)c1cccc(NC(=O)c2cccc(C#N)c2C)c1[O-] ZINC001141649336 804661056 /nfs/dbraw/zinc/66/10/56/804661056.db2.gz LWZZDVBGUZZYTJ-UHFFFAOYSA-N -1 3 294.310 3.027 20 30 CGEDHM CCCCCCCCNC(=S)Nc1cncc([O-])c1 ZINC001247141764 804668406 /nfs/dbraw/zinc/66/84/06/804668406.db2.gz XGUTXFGMZIAQEQ-UHFFFAOYSA-N -1 3 281.425 3.434 20 30 CGEDHM N#CCCN(Cc1cc(F)c(F)cc1[O-])C1CCCC1 ZINC001142520969 804730488 /nfs/dbraw/zinc/73/04/88/804730488.db2.gz SCXICKCPSIZWKY-UHFFFAOYSA-N -1 3 280.318 3.329 20 30 CGEDHM N#Cc1ncc(Nc2cc(F)cc(F)c2[O-])cc1Cl ZINC001212482067 815036157 /nfs/dbraw/zinc/03/61/57/815036157.db2.gz YPKZHLRFLZKEEV-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM C[C@H](C#N)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001144631766 805016835 /nfs/dbraw/zinc/01/68/35/805016835.db2.gz ZJEREUJQCBKNJN-LLVKDONJSA-N -1 3 298.317 3.340 20 30 CGEDHM N#Cc1cc(NC(=O)c2cc3[nH]ccc3s2)ccc1[O-] ZINC001149861460 805245869 /nfs/dbraw/zinc/24/58/69/805245869.db2.gz MPHIEFGEERKIHI-UHFFFAOYSA-N -1 3 283.312 3.059 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(CO)c(F)c2Cl)c1 ZINC001250298682 805551842 /nfs/dbraw/zinc/55/18/42/805551842.db2.gz SFHRDBRZYLCSSQ-UHFFFAOYSA-N -1 3 292.697 3.292 20 30 CGEDHM CC(=O)c1cccc(Nc2ccc(C#N)cc2[O-])c1 ZINC001173900516 808752763 /nfs/dbraw/zinc/75/27/63/808752763.db2.gz OIXVEJNGQVKGEC-UHFFFAOYSA-N -1 3 252.273 3.210 20 30 CGEDHM COc1ccc(C)cc1Nc1cc(C#N)ccc1[O-] ZINC001173987542 808806572 /nfs/dbraw/zinc/80/65/72/808806572.db2.gz DMFOTLPIGJTABF-UHFFFAOYSA-N -1 3 254.289 3.325 20 30 CGEDHM CC(C)(C)c1noc([N-]c2cnc(C3CC3)nc2)c1C#N ZINC001174609969 809102522 /nfs/dbraw/zinc/10/25/22/809102522.db2.gz OZQVSSXHBHSVBJ-UHFFFAOYSA-N -1 3 283.335 3.255 20 30 CGEDHM CC(=O)c1ccc(Nc2cccc([O-])c2)c(C#N)c1 ZINC001174895905 809194816 /nfs/dbraw/zinc/19/48/16/809194816.db2.gz FTEXASURQMFUQC-UHFFFAOYSA-N -1 3 252.273 3.210 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001301633029 809585177 /nfs/dbraw/zinc/58/51/77/809585177.db2.gz MUVBWBOCJNCBQD-GHMZBOCLSA-N -1 3 279.302 3.369 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001301633031 809585427 /nfs/dbraw/zinc/58/54/27/809585427.db2.gz MUVBWBOCJNCBQD-QWRGUYRKSA-N -1 3 279.302 3.369 20 30 CGEDHM CCN(C)C(=O)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001176465046 809702654 /nfs/dbraw/zinc/70/26/54/809702654.db2.gz CMEGLAKVJGRPFE-UHFFFAOYSA-N -1 3 295.342 3.099 20 30 CGEDHM N#Cc1cnoc1[N-]c1cc(F)c(Cl)cc1F ZINC001213937844 815348281 /nfs/dbraw/zinc/34/82/81/815348281.db2.gz XVCABMJWPYKAPH-UHFFFAOYSA-N -1 3 255.611 3.221 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC001184314647 810190564 /nfs/dbraw/zinc/19/05/64/810190564.db2.gz DNZZLNLDCRLQML-SNVBAGLBSA-N -1 3 271.744 3.125 20 30 CGEDHM CCCCCCCCS(=O)(=O)[N-]c1ccoc1 ZINC001187994034 810439979 /nfs/dbraw/zinc/43/99/79/810439979.db2.gz AAFFFNUWDWDHJO-UHFFFAOYSA-N -1 3 259.371 3.382 20 30 CGEDHM CCCCCCCCS(=O)(=O)[N-]c1c(C)ncnc1C ZINC001187994589 810440192 /nfs/dbraw/zinc/44/01/92/810440192.db2.gz NQGNKUALDWZDQT-UHFFFAOYSA-N -1 3 299.440 3.196 20 30 CGEDHM C=CCC1(S(=O)(=O)[N-]c2cc(CC)ccc2OC)CC1 ZINC001190814394 810649545 /nfs/dbraw/zinc/64/95/45/810649545.db2.gz CLANBLLKEDVUPX-UHFFFAOYSA-N -1 3 295.404 3.108 20 30 CGEDHM COc1ccc(F)c(Nc2cc(C#N)ccc2[O-])c1OC ZINC001214700104 815444828 /nfs/dbraw/zinc/44/48/28/815444828.db2.gz MTZDWOKWWFYSEH-UHFFFAOYSA-N -1 3 288.278 3.164 20 30 CGEDHM CCCOc1cc([N-]c2onc(C)c2C#N)c(Cl)cn1 ZINC001214731058 815446635 /nfs/dbraw/zinc/44/66/35/815446635.db2.gz SRTLFXJXFFHZMV-UHFFFAOYSA-N -1 3 292.726 3.436 20 30 CGEDHM Cc1cccc(NC(=S)Nc2ccc([O-])c(C#N)c2)c1 ZINC001198690809 811535820 /nfs/dbraw/zinc/53/58/20/811535820.db2.gz VIAZCHQHBGYELK-UHFFFAOYSA-N -1 3 283.356 3.381 20 30 CGEDHM Cc1coc(Nc2cc(F)c([O-])cc2F)c1C#N ZINC001215572593 815537718 /nfs/dbraw/zinc/53/77/18/815537718.db2.gz MIUFYCCTWCWWCN-UHFFFAOYSA-N -1 3 250.204 3.187 20 30 CGEDHM C#CCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205006049 812821560 /nfs/dbraw/zinc/82/15/60/812821560.db2.gz BDZZUVPHMDEGHD-FXBHHXAOSA-N -1 3 265.312 3.256 20 30 CGEDHM COc1cc(F)c(Nc2cc(C#N)ccc2[O-])cc1OC ZINC001215721834 815565886 /nfs/dbraw/zinc/56/58/86/815565886.db2.gz ONBORFZSYVRDIO-UHFFFAOYSA-N -1 3 288.278 3.164 20 30 CGEDHM COc1ccc(C#N)cc1Nc1c(F)ccc(C)c1[O-] ZINC001215741533 815572347 /nfs/dbraw/zinc/57/23/47/815572347.db2.gz OUIISGKRYLFOFV-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM COc1cccc(Nc2cc(Cl)ncc2[O-])c1C#N ZINC001210122524 814299670 /nfs/dbraw/zinc/29/96/70/814299670.db2.gz SEJLPZZABRYFHD-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM N#Cc1cc(Nc2c(F)cc(F)cc2C#N)ccc1[O-] ZINC001210532308 814512118 /nfs/dbraw/zinc/51/21/18/814512118.db2.gz AHLHWLXMTBUISY-UHFFFAOYSA-N -1 3 271.226 3.157 20 30 CGEDHM Cc1nc(C#N)cnc1[N-]c1cc2c(cccc2F)o1 ZINC001216292213 815770317 /nfs/dbraw/zinc/77/03/17/815770317.db2.gz WVAOBHPQFQMDDZ-UHFFFAOYSA-N -1 3 268.251 3.286 20 30 CGEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1ccc(F)cc1 ZINC001223975440 816711771 /nfs/dbraw/zinc/71/17/71/816711771.db2.gz ACUPFEKOHLSBQN-PXAAABLISA-N -1 3 260.268 3.134 20 30 CGEDHM COc1ccc(-c2ccc(F)c([O-])c2)c(CC#N)c1 ZINC001243051647 823228261 /nfs/dbraw/zinc/22/82/61/823228261.db2.gz PHPLPNLMAWHKQD-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cccs2)[n-]1 ZINC001225467847 817062853 /nfs/dbraw/zinc/06/28/53/817062853.db2.gz YVOHRLCUJJDFBT-VIFPVBQESA-N -1 3 260.318 3.169 20 30 CGEDHM C=C(C)C[C@H](Oc1cc(COC)nc(=S)[n-]1)C(=C)C ZINC001225938793 817224239 /nfs/dbraw/zinc/22/42/39/817224239.db2.gz SUYWXLVUEQATBQ-LBPRGKRZSA-N -1 3 280.393 3.201 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@@H](C)C#C[Si](C)(C)C)c1 ZINC001225992817 817242459 /nfs/dbraw/zinc/24/24/59/817242459.db2.gz CBRGEDZXOQUHAU-NSHDSACASA-N -1 3 276.408 3.243 20 30 CGEDHM C#C[C@@H](CC(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119228 817278746 /nfs/dbraw/zinc/27/87/46/817278746.db2.gz MCUSKJKTPDZODM-NSHDSACASA-N -1 3 262.378 3.069 20 30 CGEDHM C#C[C@H](CCCC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599845 817409236 /nfs/dbraw/zinc/40/92/36/817409236.db2.gz OYQCQLRHMIZDSP-GFCCVEGCSA-N -1 3 272.300 3.069 20 30 CGEDHM C=C[C@@H](CCC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599380 817410190 /nfs/dbraw/zinc/41/01/90/817410190.db2.gz MGLNKPVLSUYUTN-NSHDSACASA-N -1 3 260.289 3.232 20 30 CGEDHM C=C1O[C@H](CC)C(=O)C1Oc1cccc([O-])c1Cl ZINC001226708169 817440337 /nfs/dbraw/zinc/44/03/37/817440337.db2.gz CDKAFHZXEZQJIJ-SECBINFHSA-N -1 3 268.696 3.034 20 30 CGEDHM CC#CC[C@H](CC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675442 817969540 /nfs/dbraw/zinc/96/95/40/817969540.db2.gz QAMZGKBSSQADBH-NSHDSACASA-N -1 3 287.319 3.350 20 30 CGEDHM COC(=O)c1cc(-c2ccc3c(c2)CC/C3=N/[O-])ccc1F ZINC001243296178 823331041 /nfs/dbraw/zinc/33/10/41/823331041.db2.gz PYYNDBBKGLONIG-MNDPQUGUSA-N -1 3 299.301 3.404 20 30 CGEDHM N#CCCN(Cc1ccc(F)c(F)c1[O-])C1CCCC1 ZINC001233077429 818519307 /nfs/dbraw/zinc/51/93/07/818519307.db2.gz PFNLBXAFNQEWKK-UHFFFAOYSA-N -1 3 280.318 3.329 20 30 CGEDHM N#CCCN(CCC#N)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454735 818624150 /nfs/dbraw/zinc/62/41/50/818624150.db2.gz IMVYPAYAEAZECA-UHFFFAOYSA-N -1 3 297.280 3.040 20 30 CGEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1cnc2ccccn21 ZINC001234139694 818787876 /nfs/dbraw/zinc/78/78/76/818787876.db2.gz JUCQJSSAVHFFLO-NSHDSACASA-N -1 3 279.299 3.052 20 30 CGEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cnc2ccccn21 ZINC001234139691 818788034 /nfs/dbraw/zinc/78/80/34/818788034.db2.gz JUCQJSSAVHFFLO-LLVKDONJSA-N -1 3 279.299 3.052 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC001234144521 818791093 /nfs/dbraw/zinc/79/10/93/818791093.db2.gz PIYVFBGGDOQPMD-QGZVFWFLSA-N -1 3 294.354 3.312 20 30 CGEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3CCC=CCCC3)c12 ZINC001234514240 818871612 /nfs/dbraw/zinc/87/16/12/818871612.db2.gz UFVNQRKWKVWPQS-CYBMUJFWSA-N -1 3 295.342 3.475 20 30 CGEDHM C=CC[C@H](C=C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693304 818918393 /nfs/dbraw/zinc/91/83/93/818918393.db2.gz WAHZMJITVGSCLR-ZDUSSCGKSA-N -1 3 268.316 3.359 20 30 CGEDHM C=CC[C@@H](C=C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792760 818923728 /nfs/dbraw/zinc/92/37/28/818923728.db2.gz HGOGQGPDFAPOED-GFCCVEGCSA-N -1 3 276.332 3.421 20 30 CGEDHM CCC#C[C@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791790 818924459 /nfs/dbraw/zinc/92/44/59/818924459.db2.gz RHNLPKJNJOQUKQ-JTQLQIEISA-N -1 3 276.332 3.093 20 30 CGEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1nc2ccsc2[n-]1 ZINC001234850967 818934117 /nfs/dbraw/zinc/93/41/17/818934117.db2.gz CPSABZKXRGVRBT-SECBINFHSA-N -1 3 294.376 3.290 20 30 CGEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1nc2sccc2[n-]1 ZINC001234850967 818934122 /nfs/dbraw/zinc/93/41/22/818934122.db2.gz CPSABZKXRGVRBT-SECBINFHSA-N -1 3 294.376 3.290 20 30 CGEDHM N#Cc1ccc(-c2cccs2)nc1-c1cncc([O-])c1 ZINC001236576916 819541476 /nfs/dbraw/zinc/54/14/76/819541476.db2.gz DWMQHKPFMAKZRS-UHFFFAOYSA-N -1 3 279.324 3.449 20 30 CGEDHM COc1ccc(CN2CCC[C@@H](CC#N)C2)c([O-])c1Cl ZINC001236810908 819603924 /nfs/dbraw/zinc/60/39/24/819603924.db2.gz DXNUIXCDVDYXPP-NSHDSACASA-N -1 3 294.782 3.180 20 30 CGEDHM C#C[C@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127399 819674271 /nfs/dbraw/zinc/67/42/71/819674271.db2.gz ZKNKNOBWEFHSFF-JTQLQIEISA-N -1 3 267.731 3.030 20 30 CGEDHM [O-]/N=C/c1cccc(-c2cccc(CO)c2Cl)c1 ZINC001243708712 823496618 /nfs/dbraw/zinc/49/66/18/823496618.db2.gz YRHUXVZIEYIGGT-LZYBPNLTSA-N -1 3 261.708 3.307 20 30 CGEDHM Cc1ccc2n[nH]cc2c1-c1cc(/C=N/[O-])ccc1F ZINC001241522627 821923001 /nfs/dbraw/zinc/92/30/01/821923001.db2.gz GGVGOYJUZZDNNW-CNHKJKLMSA-N -1 3 269.279 3.486 20 30 CGEDHM Cn1cc2ccc(-c3ccc(/C=N/[O-])c(F)c3)cc2n1 ZINC001241602754 821985255 /nfs/dbraw/zinc/98/52/55/821985255.db2.gz NEJCVFLSCJUUFP-CAOOACKPSA-N -1 3 269.279 3.188 20 30 CGEDHM [O-]/N=C/c1ccc(-c2cccc3c[nH]nc32)cc1F ZINC001241625301 822003241 /nfs/dbraw/zinc/00/32/41/822003241.db2.gz SEZZXMMVQNOBIX-CAOOACKPSA-N -1 3 255.252 3.177 20 30 CGEDHM COCCOc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001241751075 822122919 /nfs/dbraw/zinc/12/29/19/822122919.db2.gz WOJPFROIVZSBMB-WOJGMQOQSA-N -1 3 289.306 3.326 20 30 CGEDHM COc1ccc(CC#N)cc1-c1ccc(F)cc1[O-] ZINC001242217686 822915213 /nfs/dbraw/zinc/91/52/13/822915213.db2.gz JEMUAAFVMMTTIA-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM COC(=O)c1cccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c1 ZINC001340356374 936403324 /nfs/dbraw/zinc/40/33/24/936403324.db2.gz FPBMVIHGOQNYHF-SOFGYWHQSA-N -1 3 296.322 3.383 20 30 CGEDHM CC#CC[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096562 927320967 /nfs/dbraw/zinc/32/09/67/927320967.db2.gz FKGHXPKUBJTKHI-JTQLQIEISA-N -1 3 299.164 3.431 20 30 CGEDHM N#Cc1cc(Cl)c(C(=O)[N-]c2cnoc2)c(Cl)c1 ZINC001443010627 937345023 /nfs/dbraw/zinc/34/50/23/937345023.db2.gz GTKMTRJPBQDQQM-UHFFFAOYSA-N -1 3 282.086 3.105 20 30 CGEDHM Cc1nsc(C)c1C(=O)N([O-])Cc1ccccc1Cl ZINC001457993988 937448739 /nfs/dbraw/zinc/44/87/39/937448739.db2.gz OIGYPULOPRVNHP-UHFFFAOYSA-N -1 3 296.779 3.445 20 30 CGEDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001457995983 937448784 /nfs/dbraw/zinc/44/87/84/937448784.db2.gz XKAPPDAKJAURQC-IXOXFDKPSA-N -1 3 279.767 3.350 20 30 CGEDHM C/C=C/COc1cccc(CC(=O)N([O-])CCCC)c1 ZINC001458023047 937449567 /nfs/dbraw/zinc/44/95/67/937449567.db2.gz KTPPXXQHHHRUHY-GQCTYLIASA-N -1 3 277.364 3.202 20 30 CGEDHM C#C[C@H](CCCC)Oc1ncc(Br)cc1[O-] ZINC001228957302 932059621 /nfs/dbraw/zinc/05/96/21/932059621.db2.gz UKTWDLGGTHRODA-SNVBAGLBSA-N -1 3 284.153 3.121 20 30 CGEDHM C=C[C@@]1(C)CC[C@H](Oc2nc(C)[n-]c(=O)c2C)C(C)(C)O1 ZINC001229690668 932469853 /nfs/dbraw/zinc/46/98/53/932469853.db2.gz QLPQXGYKYMKIPZ-LRDDRELGSA-N -1 3 292.379 3.080 20 30 CGEDHM N#CC1CCC(Oc2nc(=O)[n-]cc2-c2ccccc2)CC1 ZINC001230973676 932651674 /nfs/dbraw/zinc/65/16/74/932651674.db2.gz JGBAYLXPEGUWTR-UHFFFAOYSA-N -1 3 295.342 3.310 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](C)Sc1ccccn1 ZINC001306897079 932891135 /nfs/dbraw/zinc/89/11/35/932891135.db2.gz YJJWFGDLBAHDBP-GFCCVEGCSA-N -1 3 282.409 3.360 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCCc1ccc(Cl)cc1 ZINC001307318759 932939999 /nfs/dbraw/zinc/93/99/99/932939999.db2.gz TWXCDAQZNHREAZ-UHFFFAOYSA-N -1 3 295.795 3.158 20 30 CGEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC001463138815 937667547 /nfs/dbraw/zinc/66/75/47/937667547.db2.gz SOAIPZFXFYYGOU-UHFFFAOYSA-N -1 3 299.754 3.010 20 30 CGEDHM CCc1ccc([O-])c(C(=O)Nc2ccc(OCC#N)cc2)c1 ZINC001319964955 933967933 /nfs/dbraw/zinc/96/79/33/933967933.db2.gz YZLTXGFXLVLGCE-UHFFFAOYSA-N -1 3 296.326 3.109 20 30 CGEDHM CCCCCCN([O-])C(=O)CCc1cccc(N(C)C)c1 ZINC001472621267 937777858 /nfs/dbraw/zinc/77/78/58/937777858.db2.gz NIXADXMDDXKXDB-UHFFFAOYSA-N -1 3 292.423 3.483 20 30 CGEDHM N#Cc1c[nH]c(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001472622976 937778535 /nfs/dbraw/zinc/77/85/35/937778535.db2.gz QRXOLNGUJYUYDH-UHFFFAOYSA-N -1 3 291.310 3.071 20 30 CGEDHM N#CC(=C([O-])c1ccoc1C1CC1)c1cccc(F)n1 ZINC001516804782 938009721 /nfs/dbraw/zinc/00/97/21/938009721.db2.gz XOWGKKDAQBPJCP-NSHDSACASA-N -1 3 270.263 3.181 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccsc1C(F)F ZINC001526588042 938056385 /nfs/dbraw/zinc/05/63/85/938056385.db2.gz VTLKKEOELVDJID-SECBINFHSA-N -1 3 295.314 3.392 20 30 CGEDHM CC(C)(F)c1cc([N-]C(=O)c2ccc(C#N)s2)no1 ZINC001540314037 938130084 /nfs/dbraw/zinc/13/00/84/938130084.db2.gz IFSJHEMPAFYGMV-UHFFFAOYSA-N -1 3 279.296 3.065 20 30 CGEDHM CCCCCCN([O-])C(=O)COc1ccccc1CC ZINC001559034543 938219141 /nfs/dbraw/zinc/21/91/41/938219141.db2.gz FLJRNTDFOVNAMS-UHFFFAOYSA-N -1 3 279.380 3.426 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC001559034806 938219275 /nfs/dbraw/zinc/21/92/75/938219275.db2.gz PUGNTFWSPGBKHK-GFCCVEGCSA-N -1 3 293.363 3.317 20 30 CGEDHM CCCCN([O-])C(=O)c1cc(-c2ccccc2)ccn1 ZINC001559035088 938219296 /nfs/dbraw/zinc/21/92/96/938219296.db2.gz BJXOTEKCLVEIDK-UHFFFAOYSA-N -1 3 270.332 3.380 20 30 CGEDHM CC(C)CCN(CCC#N)Cc1cc(F)c(F)cc1[O-] ZINC001560657427 938268242 /nfs/dbraw/zinc/26/82/42/938268242.db2.gz MBIJFLIMALMQCE-UHFFFAOYSA-N -1 3 282.334 3.432 20 30 CGEDHM C#CC[C@@H](NC(=O)c1cccc(CC)c1[O-])c1ccccc1 ZINC001566495071 960940975 /nfs/dbraw/zinc/94/09/75/960940975.db2.gz WQUCNMXWHZTASR-QGZVFWFLSA-N -1 3 293.366 3.449 20 30 CGEDHM C=CC[C@@H](C(=O)[O-])N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001573351256 962976310 /nfs/dbraw/zinc/97/63/10/962976310.db2.gz RPWWMPCKFIXKBZ-ZDUSSCGKSA-N -1 3 299.292 3.093 20 30 CGEDHM C=CCC[C@@H](CC)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588577828 963285337 /nfs/dbraw/zinc/28/53/37/963285337.db2.gz OPRQCBQMELOCJW-GFCCVEGCSA-N -1 3 287.367 3.032 20 30 CGEDHM C=CCC[C@@H](CC)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588577828 963285350 /nfs/dbraw/zinc/28/53/50/963285350.db2.gz OPRQCBQMELOCJW-GFCCVEGCSA-N -1 3 287.367 3.032 20 30 CGEDHM C=CCCC(CC)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001588577611 963285879 /nfs/dbraw/zinc/28/58/79/963285879.db2.gz JKMMFGXRNQXCHG-UHFFFAOYSA-N -1 3 270.340 3.011 20 30 CGEDHM C=CCCC(CC)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001588577611 963285891 /nfs/dbraw/zinc/28/58/91/963285891.db2.gz JKMMFGXRNQXCHG-UHFFFAOYSA-N -1 3 270.340 3.011 20 30 CGEDHM C=CC[C@@H](NCc1csc(C(=O)[O-])c1)c1ccncc1 ZINC001588749084 963311855 /nfs/dbraw/zinc/31/18/55/963311855.db2.gz FQVMLHCBFSCQRP-CYBMUJFWSA-N -1 3 288.372 3.248 20 30 CGEDHM C[C@H](NCCCCC(C)(C)C#N)c1ncc(C(=O)[O-])s1 ZINC001593265588 994574160 /nfs/dbraw/zinc/57/41/60/994574160.db2.gz ULTHFNHASVJIRF-JTQLQIEISA-N -1 3 295.408 3.212 20 30 CGEDHM CCc1cc(=O)[n-]c(CSCc2ccccc2C#N)n1 ZINC000125581148 187191666 /nfs/dbraw/zinc/19/16/66/187191666.db2.gz NDMXFOPBGXYOSN-UHFFFAOYSA-N -1 3 285.372 3.050 20 30 CGEDHM CCN(CC)c1ccc(/C=N/c2cccc(CO)c2)c([O-])c1 ZINC000005228162 344861383 /nfs/dbraw/zinc/86/13/83/344861383.db2.gz YJBFOUNQJIPNED-XDHOZWIPSA-N -1 3 298.386 3.481 20 30 CGEDHM N#Cc1ccc(Sc2n[n-]c(-c3ccccc3F)n2)nc1 ZINC000042678127 344986708 /nfs/dbraw/zinc/98/67/08/344986708.db2.gz RVHZFGXJPAEZII-UHFFFAOYSA-N -1 3 297.318 3.029 20 30 CGEDHM N#CCCCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000588304565 346759227 /nfs/dbraw/zinc/75/92/27/346759227.db2.gz AVJUSMJRTYOQCJ-UHFFFAOYSA-N -1 3 266.728 3.458 20 30 CGEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000602226961 347942166 /nfs/dbraw/zinc/94/21/66/347942166.db2.gz VMIUIEBSZXKAMK-UHFFFAOYSA-N -1 3 287.344 3.047 20 30 CGEDHM CN(Cc1cc([O-])ccc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000602982213 348051091 /nfs/dbraw/zinc/05/10/91/348051091.db2.gz PBZQLCUWOWZOAP-QMTHXVAHSA-N -1 3 264.756 3.170 20 30 CGEDHM N#CC(=C([O-])c1cccnc1)c1ccc2ccccc2n1 ZINC000631470611 351046196 /nfs/dbraw/zinc/04/61/96/351046196.db2.gz RUVUVQYKJQNRBD-AWEZNQCLSA-N -1 3 273.295 3.120 20 30 CGEDHM CC[C@@H](C)CON=C([O-])Nc1cc(C#N)cn1C(C)(C)C ZINC000291676985 198060626 /nfs/dbraw/zinc/06/06/26/198060626.db2.gz BWWBENWJBBENKO-LLVKDONJSA-N -1 3 292.383 3.214 20 30 CGEDHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000291676985 198060627 /nfs/dbraw/zinc/06/06/27/198060627.db2.gz BWWBENWJBBENKO-LLVKDONJSA-N -1 3 292.383 3.214 20 30 CGEDHM Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)c([O-])c1 ZINC000124089143 138373035 /nfs/dbraw/zinc/37/30/35/138373035.db2.gz WIYYXHIOJZPAQR-UHFFFAOYSA-N -1 3 288.253 3.103 20 30 CGEDHM CC(C)(C)c1cccc(NC(=O)c2cnccc2C#N)c1[O-] ZINC000487078661 243396924 /nfs/dbraw/zinc/39/69/24/243396924.db2.gz ZQJWLIAUMKAMGU-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1cccc(F)c1F ZINC000054207825 369499068 /nfs/dbraw/zinc/49/90/68/369499068.db2.gz TXQZEZSOULZHNQ-UHFFFAOYSA-N -1 3 264.256 3.150 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/[C@H]1CC[C@H](O)CC1 ZINC000133110051 371227543 /nfs/dbraw/zinc/22/75/43/371227543.db2.gz ONCZOPSCRYYPTL-NLTUMJQJSA-N -1 3 269.344 3.268 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000428043269 372178740 /nfs/dbraw/zinc/17/87/40/372178740.db2.gz OZDYXISPDRXOIS-GFCCVEGCSA-N -1 3 279.767 3.155 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(Cl)cn1 ZINC000294633529 372664360 /nfs/dbraw/zinc/66/43/60/372664360.db2.gz RGGBIRGBJUHPPM-MRVPVSSYSA-N -1 3 274.698 3.124 20 30 CGEDHM C=C(C)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436812064 372839870 /nfs/dbraw/zinc/83/98/70/372839870.db2.gz CVAFKSNGSXWHGB-UHFFFAOYSA-N -1 3 297.354 3.277 20 30 CGEDHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000179848951 373927603 /nfs/dbraw/zinc/92/76/03/373927603.db2.gz JTXZHHJUABIDPB-JSGCOSHPSA-N -1 3 295.342 3.144 20 30 CGEDHM CCN(C(=O)c1cccc([O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182192510 374233335 /nfs/dbraw/zinc/23/33/35/374233335.db2.gz CUKAAVWBSWITAQ-ZDUSSCGKSA-N -1 3 294.354 3.487 20 30 CGEDHM C[C@H]1CCN(C(=O)c2cc(C#N)cs2)c2c([O-])cccc21 ZINC000186321022 374832211 /nfs/dbraw/zinc/83/22/11/374832211.db2.gz IUVYOVLVJXUZJV-JTQLQIEISA-N -1 3 298.367 3.479 20 30 CGEDHM Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000187111353 374974228 /nfs/dbraw/zinc/97/42/28/374974228.db2.gz QOZSLTDIDIJCPO-UHFFFAOYSA-N -1 3 292.338 3.243 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000335436980 375292028 /nfs/dbraw/zinc/29/20/28/375292028.db2.gz XLMOCOQPTSQDQF-GFCCVEGCSA-N -1 3 280.327 3.315 20 30 CGEDHM CCCCn1c(S[C@H](C#N)c2ccccc2)n[n-]c1=O ZINC000566614701 377498474 /nfs/dbraw/zinc/49/84/74/377498474.db2.gz ISHIEHJXJYWGTM-GFCCVEGCSA-N -1 3 288.376 3.141 20 30 CGEDHM C=CCOc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000178328987 542197474 /nfs/dbraw/zinc/19/74/74/542197474.db2.gz NPCZGKMXQNKMMC-UHFFFAOYSA-N -1 3 287.290 3.348 20 30 CGEDHM N#Cc1csc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417618820 380653709 /nfs/dbraw/zinc/65/37/09/380653709.db2.gz DIMPRRANUZGFQG-GJZGRUSLSA-N -1 3 298.367 3.023 20 30 CGEDHM CC(C)(C#N)CNCc1cc([O-])cc(C(F)(F)F)c1 ZINC000356308878 380796563 /nfs/dbraw/zinc/79/65/63/380796563.db2.gz VCBDWXLBFRHADF-UHFFFAOYSA-N -1 3 272.270 3.050 20 30 CGEDHM Cc1cccnc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361528753 381787199 /nfs/dbraw/zinc/78/71/99/381787199.db2.gz WFXIBNQGGPFUKM-OAHLLOKOSA-N -1 3 287.322 3.428 20 30 CGEDHM Cc1csc([N-]C(=O)c2ocnc2C2CC2)c1C#N ZINC000288710140 197149664 /nfs/dbraw/zinc/14/96/64/197149664.db2.gz FAYYYXFJWDLCCV-UHFFFAOYSA-N -1 3 273.317 3.046 20 30 CGEDHM C=CC[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000354419567 542563246 /nfs/dbraw/zinc/56/32/46/542563246.db2.gz FUUQESNRVUAKRC-LLVKDONJSA-N -1 3 255.317 3.240 20 30 CGEDHM Cc1cc(F)cc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000134806597 392468112 /nfs/dbraw/zinc/46/81/12/392468112.db2.gz QFUSXVSZKSAEFL-CYBMUJFWSA-N -1 3 254.264 3.019 20 30 CGEDHM C=CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000426782548 393452385 /nfs/dbraw/zinc/45/23/85/393452385.db2.gz GQGSXHGEELHEGZ-QGZVFWFLSA-N -1 3 297.354 3.167 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)ccn1 ZINC000671278992 543166291 /nfs/dbraw/zinc/16/62/91/543166291.db2.gz SJZBYMKWIJCKQE-OAHLLOKOSA-N -1 3 287.322 3.428 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000126184987 287259109 /nfs/dbraw/zinc/25/91/09/287259109.db2.gz PUBYFRLXERIFHS-UHFFFAOYSA-N -1 3 288.253 3.103 20 30 CGEDHM C=C(C)CN(CC)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000652369099 418958262 /nfs/dbraw/zinc/95/82/62/418958262.db2.gz HECMFEZTQQADIV-SNVBAGLBSA-N -1 3 251.326 3.245 20 30 CGEDHM CC(C)c1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000659115419 418959890 /nfs/dbraw/zinc/95/98/90/418959890.db2.gz YKOKKQCQMVDVGH-CQSZACIVSA-N -1 3 265.316 3.090 20 30 CGEDHM C=CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000656759926 419210385 /nfs/dbraw/zinc/21/03/85/419210385.db2.gz LTSGAPORNYVICE-GFCCVEGCSA-N -1 3 263.337 3.074 20 30 CGEDHM C=CCC1([N-]S(=O)(=O)c2cc(C)cs2)CCCC1 ZINC000657189811 419229790 /nfs/dbraw/zinc/22/97/90/419229790.db2.gz NURZJJNUOBEZDF-UHFFFAOYSA-N -1 3 285.434 3.224 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/CCCO[C@H]1CCOC1 ZINC000129354326 260835592 /nfs/dbraw/zinc/83/55/92/260835592.db2.gz OJTHAPFQLXDOKG-UZUMKDMXSA-N -1 3 299.370 3.160 20 30 CGEDHM COc1cc(Cl)cc(CN(CCC#N)CC2CC2)c1[O-] ZINC000184688894 262026349 /nfs/dbraw/zinc/02/63/49/262026349.db2.gz WPLAPRHAHPHRHR-UHFFFAOYSA-N -1 3 294.782 3.180 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/C[C@H]2CCCC(F)(F)C2)c1O ZINC000283914863 263084820 /nfs/dbraw/zinc/08/48/20/263084820.db2.gz VCUGMBIDPYABPP-PCYPHTAMSA-N -1 3 285.290 3.048 20 30 CGEDHM CC1(C)CCCN(C(=O)c2cc([O-])ccc2Cl)[C@H]1C#N ZINC000290396427 263116433 /nfs/dbraw/zinc/11/64/33/263116433.db2.gz JZEGVAWONNMVID-ZDUSSCGKSA-N -1 3 292.766 3.200 20 30 CGEDHM C=CCC[C@@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000187877464 263285876 /nfs/dbraw/zinc/28/58/76/263285876.db2.gz BTWRJHXBJNJSKK-CQSZACIVSA-N -1 3 282.343 3.476 20 30 CGEDHM CCc1nc(C)c(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC000330796753 264040091 /nfs/dbraw/zinc/04/00/91/264040091.db2.gz DWWSTXPIEFTIKS-UHFFFAOYSA-N -1 3 277.349 3.059 20 30 CGEDHM CC(C)c1ccc(C(=O)NC[C@](C)(O)C(C)C)c([O-])c1 ZINC000331241173 264176989 /nfs/dbraw/zinc/17/69/89/264176989.db2.gz QBINDMIKVRRPNU-INIZCTEOSA-N -1 3 279.380 3.227 20 30 CGEDHM CC[C@H](CC#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294882259 328283568 /nfs/dbraw/zinc/28/35/68/328283568.db2.gz FJAPPVUIMFQQOL-OAHLLOKOSA-N -1 3 296.370 3.286 20 30 CGEDHM CCC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000340940235 328402697 /nfs/dbraw/zinc/40/26/97/328402697.db2.gz BWIFXYHNLOKJPF-CQSZACIVSA-N -1 3 278.311 3.164 20 30 CGEDHM CC(=O)c1cccc(NC(=O)C2(C#N)CCCCC2)c1[O-] ZINC000560549273 327322877 /nfs/dbraw/zinc/32/28/77/327322877.db2.gz BZHOSKDDOHOPPI-UHFFFAOYSA-N -1 3 286.331 3.007 20 30 CGEDHM C=CCC1(NC(=O)c2ccc([O-])c(OC)c2)CCCCC1 ZINC000456361656 331190960 /nfs/dbraw/zinc/19/09/60/331190960.db2.gz GEHFKCKIRZMVEB-UHFFFAOYSA-N -1 3 289.375 3.410 20 30 CGEDHM CC(C)O[N-]C(=O)/C=C/c1cn(CCC#N)c2ccccc12 ZINC000493449612 332440737 /nfs/dbraw/zinc/44/07/37/332440737.db2.gz 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/nfs/dbraw/zinc/26/02/41/635260241.db2.gz XRLPVIHFXAFKOY-UHFFFAOYSA-N -1 3 261.365 3.413 20 30 CGEDHM CO[C@@H]1CCCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000844270341 635851052 /nfs/dbraw/zinc/85/10/52/635851052.db2.gz GWXIKYPRZPAUGV-QZHSRMNUSA-N -1 3 267.756 3.422 20 30 CGEDHM CC(C)(C#N)CCCOC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845193808 636013359 /nfs/dbraw/zinc/01/33/59/636013359.db2.gz UXGPCLRBMDSTBJ-UHFFFAOYSA-N -1 3 296.754 3.115 20 30 CGEDHM C[C@H](C/N=C/c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000846756805 636231448 /nfs/dbraw/zinc/23/14/48/636231448.db2.gz MEFTXUVIKDCOOV-IYPWXLATSA-N -1 3 297.782 3.442 20 30 CGEDHM C#C[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000848279222 636550857 /nfs/dbraw/zinc/55/08/57/636550857.db2.gz LBZUZBXBJRQIQJ-CYBMUJFWSA-N -1 3 279.339 3.031 20 30 CGEDHM C#C[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000848280745 636551255 /nfs/dbraw/zinc/55/12/55/636551255.db2.gz MISQLLPXIYQOGD-CYBMUJFWSA-N -1 3 271.360 3.001 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CC2(CCC2)CO1 ZINC000887270807 637787644 /nfs/dbraw/zinc/78/76/44/637787644.db2.gz UIZHIUZAXDVOEE-TVYFDWKESA-N -1 3 279.767 3.424 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000856034570 638289706 /nfs/dbraw/zinc/28/97/06/638289706.db2.gz IIYVAVLQHLLLOO-GFCCVEGCSA-N -1 3 272.348 3.285 20 30 CGEDHM C=CCCO[N-]C(=O)CCC(C)(C)c1ccccc1 ZINC000856034333 638289740 /nfs/dbraw/zinc/28/97/40/638289740.db2.gz LEEZYLYMBOIGIC-UHFFFAOYSA-N -1 3 261.365 3.368 20 30 CGEDHM C=C(Cl)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000928966130 638896313 /nfs/dbraw/zinc/89/63/13/638896313.db2.gz FWFFESYSCYRANV-UHFFFAOYSA-N -1 3 254.500 3.231 20 30 CGEDHM COc1ccc(NC(=O)c2c(C)cc(C#N)cc2C)c([O-])c1 ZINC001161164130 806354202 /nfs/dbraw/zinc/35/42/02/806354202.db2.gz PLGPWVUDSXSRPK-UHFFFAOYSA-N -1 3 296.326 3.142 20 30 CGEDHM O=C(c1ccccc1[O-])N(O)CCCCc1ccccc1 ZINC001161807599 806459200 /nfs/dbraw/zinc/45/92/00/806459200.db2.gz KZEBAVILYNXIMY-UHFFFAOYSA-N -1 3 285.343 3.247 20 30 CGEDHM Cc1cccc(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001161807892 806459455 /nfs/dbraw/zinc/45/94/55/806459455.db2.gz QNWPNNRZXABVLP-UHFFFAOYSA-N -1 3 284.359 3.244 20 30 CGEDHM CC[C@@H](CC#N)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001255156384 806556270 /nfs/dbraw/zinc/55/62/70/806556270.db2.gz OHDVIXRGKPCUNP-NSHDSACASA-N -1 3 289.766 3.376 20 30 CGEDHM CC(C)[C@@H](C#N)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001122604204 802876684 /nfs/dbraw/zinc/87/66/84/802876684.db2.gz ZTQCIZLJPPXTCN-SNVBAGLBSA-N -1 3 293.273 3.205 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccsc1Cl ZINC001123234640 802920167 /nfs/dbraw/zinc/92/01/67/802920167.db2.gz ZDGPUXXCTSQHIS-SECBINFHSA-N -1 3 279.752 3.108 20 30 CGEDHM COCOc1cccc(-c2ccccc2C=N[O-])c1 ZINC001243827207 803037013 /nfs/dbraw/zinc/03/70/13/803037013.db2.gz CIOHPQOMIKLRCI-UHFFFAOYSA-N -1 3 257.289 3.144 20 30 CGEDHM COC(=O)Cc1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001243956583 803099945 /nfs/dbraw/zinc/09/99/45/803099945.db2.gz JQPDEIWCIGSDCV-VCHYOVAHSA-N -1 3 287.290 3.016 20 30 CGEDHM N#Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC001244327733 803306800 /nfs/dbraw/zinc/30/68/00/803306800.db2.gz BHEDPAPMMYKEKW-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM N#Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC001244327733 803306805 /nfs/dbraw/zinc/30/68/05/803306805.db2.gz BHEDPAPMMYKEKW-UHFFFAOYSA-N -1 3 299.696 3.198 20 30 CGEDHM Nc1ccc(F)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001244400233 803348206 /nfs/dbraw/zinc/34/82/06/803348206.db2.gz HCFPVJRJBQGOBC-SDXDJHTJSA-N -1 3 256.280 3.199 20 30 CGEDHM N#Cc1cc(-c2ccc(OC(F)(F)F)cc2[O-])cnc1F ZINC001244462950 803381748 /nfs/dbraw/zinc/38/17/48/803381748.db2.gz ISSFSQOSTYRIJZ-UHFFFAOYSA-N -1 3 298.195 3.364 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cccc(F)c2CO)cc1 ZINC001244563371 803441994 /nfs/dbraw/zinc/44/19/94/803441994.db2.gz PFJGOCARAJZDIP-LICLKQGHSA-N -1 3 259.280 3.183 20 30 CGEDHM CCCN(CCC#N)Cc1ccc(Cl)cc1[O-] ZINC001140466631 804444059 /nfs/dbraw/zinc/44/40/59/804444059.db2.gz ITTIOTUXNHUREN-UHFFFAOYSA-N -1 3 252.745 3.171 20 30 CGEDHM C[C@@H](C#N)N(C)Cc1c(Cl)cc([O-])cc1Cl ZINC001142118249 804696152 /nfs/dbraw/zinc/69/61/52/804696152.db2.gz DJMPEQVNZOFVGO-ZETCQYMHSA-N -1 3 259.136 3.043 20 30 CGEDHM N#Cc1ccc(F)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212487310 815037998 /nfs/dbraw/zinc/03/79/98/815037998.db2.gz FXKDYQFNMBFLPD-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM COc1ccc([N-]c2occ(C)c2C#N)c([N+](=O)[O-])c1 ZINC001248470559 804936213 /nfs/dbraw/zinc/93/62/13/804936213.db2.gz OEOVJVALVPGZMI-UHFFFAOYSA-N -1 3 273.248 3.120 20 30 CGEDHM C=C(Cc1ccccc1)C(=O)Nc1c([O-])cccc1C(C)=O ZINC001144395107 804980576 /nfs/dbraw/zinc/98/05/76/804980576.db2.gz JXWLBUMTWQJMRS-UHFFFAOYSA-N -1 3 295.338 3.332 20 30 CGEDHM Cc1c(N)c(F)ccc1Nc1cc(C#N)ccc1[O-] ZINC001249641421 805198622 /nfs/dbraw/zinc/19/86/22/805198622.db2.gz NUXDFCMYEKOGHF-UHFFFAOYSA-N -1 3 257.268 3.037 20 30 CGEDHM N#Cc1cc(F)c(Nc2cccc([O-])c2F)c(F)c1 ZINC001212550598 815064712 /nfs/dbraw/zinc/06/47/12/815064712.db2.gz VFRZOBLCOVLRFM-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(Cn3ccnc3)cc2)c1 ZINC001212697683 815106519 /nfs/dbraw/zinc/10/65/19/815106519.db2.gz NHOCLOUVPQFPQR-UHFFFAOYSA-N -1 3 290.326 3.252 20 30 CGEDHM N#Cc1cc(Nc2c(F)ccc(F)c2F)ccc1[O-] ZINC001175032802 809247378 /nfs/dbraw/zinc/24/73/78/809247378.db2.gz RLZADYCKEVFACG-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1ccc(C(=O)Nc2ccc(CCC#N)cc2)c([O-])c1 ZINC001178219430 809852350 /nfs/dbraw/zinc/85/23/50/809852350.db2.gz GGWZIQVOUJVYMT-UHFFFAOYSA-N -1 3 280.327 3.409 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2c(C)cccc2Cl)o1 ZINC001183720056 810158431 /nfs/dbraw/zinc/15/84/31/810158431.db2.gz WPKZCSARLXNYQN-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM CCC(C)(C)[C@H](O)C(=O)N([O-])CCCCc1ccccc1 ZINC001184305831 810190003 /nfs/dbraw/zinc/19/00/03/810190003.db2.gz STLRYDZLHXOCAJ-OAHLLOKOSA-N -1 3 293.407 3.024 20 30 CGEDHM O=C(c1ncccc1F)N([O-])Cc1cccc2ccccc21 ZINC001184339547 810194357 /nfs/dbraw/zinc/19/43/57/810194357.db2.gz HNGSAYAQKGDVME-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM N#CCc1cccc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001188677880 810503491 /nfs/dbraw/zinc/50/34/91/810503491.db2.gz SHOFGEFWAPNGKG-UHFFFAOYSA-N -1 3 286.718 3.364 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)[N-]c2oncc2C#N)cc1 ZINC001191126369 810680607 /nfs/dbraw/zinc/68/06/07/810680607.db2.gz CARRRWUZYCQAAG-UHFFFAOYSA-N -1 3 284.319 3.488 20 30 CGEDHM Cc1ccc(F)cc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001191418370 810713161 /nfs/dbraw/zinc/71/31/61/810713161.db2.gz TZCREFMCJFKSDZ-UHFFFAOYSA-N -1 3 285.278 3.355 20 30 CGEDHM CCCCCCCCN(C)S(=O)(=O)c1ccc([O-])cc1 ZINC001195783786 811291681 /nfs/dbraw/zinc/29/16/81/811291681.db2.gz VEWPYOTWYKHTDF-UHFFFAOYSA-N -1 3 299.436 3.373 20 30 CGEDHM COc1ccccc1NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001196255984 811327463 /nfs/dbraw/zinc/32/74/63/811327463.db2.gz DZTJRPFQTVZWAA-UHFFFAOYSA-N -1 3 299.355 3.081 20 30 CGEDHM COCOc1c(C)cccc1Nc1cc(C#N)ccc1[O-] ZINC001214853463 815457010 /nfs/dbraw/zinc/45/70/10/815457010.db2.gz QVOWUXJTQCULHE-UHFFFAOYSA-N -1 3 284.315 3.299 20 30 CGEDHM CCOc1ncc(Cl)cc1[N-]c1onc(C)c1C#N ZINC001201506373 811873157 /nfs/dbraw/zinc/87/31/57/811873157.db2.gz XNWFZWUZMLCGID-UHFFFAOYSA-N -1 3 278.699 3.045 20 30 CGEDHM N#Cc1cnoc1[N-]C(=O)Nc1c(Cl)cccc1Cl ZINC001202094380 812014681 /nfs/dbraw/zinc/01/46/81/812014681.db2.gz WRVCHGPJPMPWKH-UHFFFAOYSA-N -1 3 297.101 3.497 20 30 CGEDHM Cc1ccccc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001202185292 812033254 /nfs/dbraw/zinc/03/32/54/812033254.db2.gz QNTFTXOINNQKCA-UHFFFAOYSA-N -1 3 267.288 3.216 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2cccc(Cl)c2)c1C#N ZINC001202237235 812046958 /nfs/dbraw/zinc/04/69/58/812046958.db2.gz CKNOGJLNIFKMOT-UHFFFAOYSA-N -1 3 276.683 3.152 20 30 CGEDHM COc1ccc(Nc2cc([O-])cc(F)c2)cc1C#N ZINC001206822365 813445156 /nfs/dbraw/zinc/44/51/56/813445156.db2.gz KBXIHVROYLETCJ-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM C[C@@H](O)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001242649196 823080756 /nfs/dbraw/zinc/08/07/56/823080756.db2.gz QRTBEJITLDWVEX-IYPWXLATSA-N -1 3 259.280 3.354 20 30 CGEDHM N#Cc1cncc(Nc2cccc([O-])c2Br)c1 ZINC001210089620 814281572 /nfs/dbraw/zinc/28/15/72/814281572.db2.gz UMUOBAZYVIBOJB-UHFFFAOYSA-N -1 3 290.120 3.165 20 30 CGEDHM N#Cc1cc(-c2cc([O-])ccc2F)nc(C(F)(F)F)c1 ZINC001242761385 823124337 /nfs/dbraw/zinc/12/43/37/823124337.db2.gz YIKMPVJAXWERDR-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM CNc1ccc(C#N)cc1Nc1cc(C)c(F)c([O-])c1 ZINC001216082018 815685521 /nfs/dbraw/zinc/68/55/21/815685521.db2.gz JBFBNSOWKKQWTG-UHFFFAOYSA-N -1 3 271.295 3.497 20 30 CGEDHM CC(=O)c1cccc(Nc2ccc([O-])c(C#N)c2)c1F ZINC001216501278 815844136 /nfs/dbraw/zinc/84/41/36/815844136.db2.gz IVQSXCQCSGITPZ-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM N#CC1(c2ccc(-c3ccc(F)c([O-])c3)nc2)CC1 ZINC001243054999 823229765 /nfs/dbraw/zinc/22/97/65/823229765.db2.gz XVSHYYXBOHDOFI-UHFFFAOYSA-N -1 3 254.264 3.148 20 30 CGEDHM N#Cc1cncc(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001226687416 817433987 /nfs/dbraw/zinc/43/39/87/817433987.db2.gz YJMBACMWPOHQPY-MRXNPFEDSA-N -1 3 294.266 3.142 20 30 CGEDHM CCc1cnc(=S)[n-]c1O[C@@H](C)CC(C)(C)S ZINC001227063609 817547747 /nfs/dbraw/zinc/54/77/47/817547747.db2.gz MNVFJMOACFNAJE-QMMMGPOBSA-N -1 3 272.439 3.194 20 30 CGEDHM COc1ccccc1[C@@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227344691 817628714 /nfs/dbraw/zinc/62/87/14/817628714.db2.gz CKONTYKVGFXBNV-LLVKDONJSA-N -1 3 269.300 3.412 20 30 CGEDHM C#CC[C@@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227587670 817677551 /nfs/dbraw/zinc/67/75/51/817677551.db2.gz LCWHBZHHOMGHIF-SSDOTTSWSA-N -1 3 273.101 3.084 20 30 CGEDHM C[C@@H](Oc1c([O-])cc(Br)cc1F)[C@H](C)S ZINC001227587501 817677840 /nfs/dbraw/zinc/67/78/40/817677840.db2.gz JLAMTNJIGHKKFA-RITPCOANSA-N -1 3 295.173 3.379 20 30 CGEDHM C[C@@H](CS)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228156228 817827106 /nfs/dbraw/zinc/82/71/06/817827106.db2.gz ZEPZBEGCXNLBGS-NSHDSACASA-N -1 3 288.368 3.320 20 30 CGEDHM C=CC[C@@H](CCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686583 817973365 /nfs/dbraw/zinc/97/33/65/817973365.db2.gz OTXYFZJHOJUNDE-JTQLQIEISA-N -1 3 266.297 3.127 20 30 CGEDHM C=C[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228687849 817973673 /nfs/dbraw/zinc/97/36/73/817973673.db2.gz CKFLEFSDODBFFU-GFCCVEGCSA-N -1 3 286.287 3.310 20 30 CGEDHM COc1ccc(CN2CCC[C@@H](CC#N)C2)c(Cl)c1[O-] ZINC001233400337 818610436 /nfs/dbraw/zinc/61/04/36/818610436.db2.gz DVSVHHWGFZUOJT-NSHDSACASA-N -1 3 294.782 3.180 20 30 CGEDHM N#CCN(Cc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC001233396032 818611233 /nfs/dbraw/zinc/61/12/33/818611233.db2.gz FVDROPIUEKUUCX-UHFFFAOYSA-N -1 3 288.297 3.196 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1ccncc1 ZINC001233800029 818707128 /nfs/dbraw/zinc/70/71/28/818707128.db2.gz NRHHZWGSFQEESH-MUOOZZNISA-N -1 3 272.304 3.038 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CC[C@H](C)CC1 ZINC001233802519 818708636 /nfs/dbraw/zinc/70/86/36/818708636.db2.gz HCHXOFDJHURPPN-KLMOLWSLSA-N -1 3 263.337 3.461 20 30 CGEDHM CC(C)Oc1ncccc1COc1cc([O-])cc(C#N)c1 ZINC001234144092 818790504 /nfs/dbraw/zinc/79/05/04/818790504.db2.gz IYVPIJGMGFZTBO-UHFFFAOYSA-N -1 3 284.315 3.025 20 30 CGEDHM C#C[C@H](CCC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693580 818918268 /nfs/dbraw/zinc/91/82/68/818918268.db2.gz ZNISUOXCOCPRAP-CYBMUJFWSA-N -1 3 268.316 3.030 20 30 CGEDHM N#Cc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(F)c1 ZINC001236524244 819516158 /nfs/dbraw/zinc/51/61/58/819516158.db2.gz QWNSUBMLUXDZSW-UHFFFAOYSA-N -1 3 299.252 3.462 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cccc(O)c3F)ccc21 ZINC001243545556 823437944 /nfs/dbraw/zinc/43/79/44/823437944.db2.gz MKZDNTDILVNTJT-LGMDPLHJSA-N -1 3 257.264 3.323 20 30 CGEDHM CCOCc1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001238938400 820160566 /nfs/dbraw/zinc/16/05/66/820160566.db2.gz MNDLRTGPCQDNGL-ZPHPHTNESA-N -1 3 282.343 3.410 20 30 CGEDHM N#CCOc1ccccc1-c1cccc(/C=N/[O-])c1 ZINC001243587702 823457778 /nfs/dbraw/zinc/45/77/78/823457778.db2.gz UIHRQAAHXWWDKW-GZTJUZNOSA-N -1 3 252.273 3.064 20 30 CGEDHM COCCOc1ccccc1-c1ccccc1C=N[O-] ZINC001243620132 823469892 /nfs/dbraw/zinc/46/98/92/823469892.db2.gz SWRXZSCSWRYGID-UHFFFAOYSA-N -1 3 271.316 3.187 20 30 CGEDHM COc1ccc(OC)c(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001239666545 820502556 /nfs/dbraw/zinc/50/25/56/820502556.db2.gz JGILRQBXTJKVIE-VLGSPTGOSA-N -1 3 283.327 3.495 20 30 CGEDHM Cn1cnc2ccc(-c3ccc(/C=N/[O-])c(F)c3)cc21 ZINC001240320867 820965053 /nfs/dbraw/zinc/96/50/53/820965053.db2.gz NMZVOKLHOKDBBF-QGMBQPNBSA-N -1 3 269.279 3.188 20 30 CGEDHM COc1c(C#N)c(F)ccc1-c1cc(F)ccc1[O-] ZINC001240697495 821253720 /nfs/dbraw/zinc/25/37/20/821253720.db2.gz KIGUUEIRPGCRSK-UHFFFAOYSA-N -1 3 261.227 3.218 20 30 CGEDHM COc1cc(C#N)ccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001241408109 821804462 /nfs/dbraw/zinc/80/44/62/821804462.db2.gz IKFFPLSMYGRZAL-MNDPQUGUSA-N -1 3 278.311 3.358 20 30 CGEDHM CC(C)(C#N)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241445934 821840675 /nfs/dbraw/zinc/84/06/75/821840675.db2.gz WRMPAPSBOCKGML-UHFFFAOYSA-N -1 3 289.342 3.335 20 30 CGEDHM CC(C)(C#N)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241445934 821840682 /nfs/dbraw/zinc/84/06/82/821840682.db2.gz WRMPAPSBOCKGML-UHFFFAOYSA-N -1 3 289.342 3.335 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3nccnc3c2)c1 ZINC001241492596 821894868 /nfs/dbraw/zinc/89/48/68/821894868.db2.gz FLUBCBUKPCJMHW-DJKKODMXSA-N -1 3 267.263 3.244 20 30 CGEDHM Cn1cc2ccc(-c3cc(/C=N/[O-])ccc3F)cc2n1 ZINC001241603050 821985009 /nfs/dbraw/zinc/98/50/09/821985009.db2.gz QUGLUHHVZQCNTL-CAOOACKPSA-N -1 3 269.279 3.188 20 30 CGEDHM CSC[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001457995417 937448799 /nfs/dbraw/zinc/44/87/99/937448799.db2.gz SWVJPHLXXYLBQG-CYBMUJFWSA-N -1 3 281.421 3.226 20 30 CGEDHM C=CC[C@H](Oc1nc(C)[n-]c(=O)c1C)c1ccccc1 ZINC001229684969 932188724 /nfs/dbraw/zinc/18/87/24/932188724.db2.gz HNWYNIUUNDCUIZ-AWEZNQCLSA-N -1 3 270.332 3.495 20 30 CGEDHM C/C(=N\[O-])c1ccccc1O[C@@H]1CCC(=O)CC1(C)C ZINC001229736976 932477567 /nfs/dbraw/zinc/47/75/67/932477567.db2.gz MWUJQMURICHLKE-QAEAHILHSA-N -1 3 275.348 3.411 20 30 CGEDHM C#C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccccc1 ZINC001231073194 932671086 /nfs/dbraw/zinc/67/10/86/932671086.db2.gz GLQUWLQJLHEPFT-CQSZACIVSA-N -1 3 294.285 3.228 20 30 CGEDHM CCCCN([O-])C(=O)c1csc(-c2ccco2)n1 ZINC001306897498 932763424 /nfs/dbraw/zinc/76/34/24/932763424.db2.gz OZBIJTMGZLZUIW-UHFFFAOYSA-N -1 3 266.322 3.035 20 30 CGEDHM C[C@]1(C(=O)N([O-])CCCCc2ccccc2)CC1(F)F ZINC001306896187 932891001 /nfs/dbraw/zinc/89/10/01/932891001.db2.gz NLQVDHINFCWQQO-CQSZACIVSA-N -1 3 283.318 3.272 20 30 CGEDHM CC1(C)C[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306896207 932891127 /nfs/dbraw/zinc/89/11/27/932891127.db2.gz NWOCPRVTVJWWSM-CQSZACIVSA-N -1 3 261.365 3.273 20 30 CGEDHM C#CCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC001472623093 937778344 /nfs/dbraw/zinc/77/83/44/937778344.db2.gz VPSDOZNQAMHIRQ-UHFFFAOYSA-N -1 3 267.328 3.361 20 30 CGEDHM C[C@]1(C(=O)N([O-])CCCCc2ccccc2)CCCCO1 ZINC001472619651 937778388 /nfs/dbraw/zinc/77/83/88/937778388.db2.gz RYQSVHMUWYMDLY-QGZVFWFLSA-N -1 3 291.391 3.186 20 30 CGEDHM O=C(CC(C1CC1)C1CC1)N([O-])Cc1ccc(F)cc1 ZINC001334073110 936083516 /nfs/dbraw/zinc/08/35/16/936083516.db2.gz WJHQYKZIVWJEKQ-UHFFFAOYSA-N -1 3 277.339 3.370 20 30 CGEDHM Cc1csc([N-]C(=O)c2csc(Cl)n2)c1C#N ZINC001520915201 938028600 /nfs/dbraw/zinc/02/86/00/938028600.db2.gz IEIRMDYUZUAWND-UHFFFAOYSA-N -1 3 283.765 3.290 20 30 CGEDHM Cc1ccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c([O-])c1 ZINC001540389041 938130762 /nfs/dbraw/zinc/13/07/62/938130762.db2.gz VZFGIQHFJCMVBN-WEVVVXLNSA-N -1 3 299.301 3.061 20 30 CGEDHM CCO[C@@H](C(=O)N([O-])CCCCc1ccccc1)C1CC1 ZINC001559033997 938218951 /nfs/dbraw/zinc/21/89/51/938218951.db2.gz IJTDLOSYPXZXSW-MRXNPFEDSA-N -1 3 291.391 3.042 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](CC)Oc1ccccc1F ZINC001559035290 938219159 /nfs/dbraw/zinc/21/91/59/938219159.db2.gz KQUGTHVEPWZTHC-GFCCVEGCSA-N -1 3 269.316 3.001 20 30 CGEDHM CC1(C)CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001559037212 938219329 /nfs/dbraw/zinc/21/93/29/938219329.db2.gz NSDKBPBWQWYHHL-ZDUSSCGKSA-N -1 3 265.328 3.370 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C1CCCC1 ZINC001559037017 938219357 /nfs/dbraw/zinc/21/93/57/938219357.db2.gz GFHRNMDTBVFLPO-LLVKDONJSA-N -1 3 265.328 3.370 20 30 CGEDHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1ccc(C#N)cc1Cl ZINC001594216195 959333383 /nfs/dbraw/zinc/33/33/83/959333383.db2.gz OVKQUXICFJGJJI-QMTHXVAHSA-N -1 3 292.766 3.039 20 30 CGEDHM Cc1ccc(S[C@H](C#N)C2CCCC2)c(-c2nnn[n-]2)c1 ZINC001581213199 962753042 /nfs/dbraw/zinc/75/30/42/962753042.db2.gz GHIFHLIAXZYKCG-CQSZACIVSA-N -1 3 299.403 3.350 20 30 CGEDHM Cc1ccc(S[C@H](C#N)C2CCCC2)c(-c2nn[n-]n2)c1 ZINC001581213199 962753049 /nfs/dbraw/zinc/75/30/49/962753049.db2.gz GHIFHLIAXZYKCG-CQSZACIVSA-N -1 3 299.403 3.350 20 30 CGEDHM C#CCC1(NCc2cc(C(=O)[O-])ccc2Cl)CCC1 ZINC001588427679 962761881 /nfs/dbraw/zinc/76/18/81/962761881.db2.gz ICBOFLWUJOIZAS-UHFFFAOYSA-N -1 3 277.751 3.074 20 30 CGEDHM C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001588786645 963318082 /nfs/dbraw/zinc/31/80/82/963318082.db2.gz QSWZCNPPFDCSID-NEPJUHHUSA-N -1 3 277.364 3.486 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)nc2)c([O-])c1 ZINC000337436741 214081010 /nfs/dbraw/zinc/08/10/10/214081010.db2.gz XRHSESVIEGXIFJ-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM Cn1cc(C#N)cc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337437481 214081340 /nfs/dbraw/zinc/08/13/40/214081340.db2.gz XWCHMKULXRVPLL-UHFFFAOYSA-N -1 3 297.358 3.152 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2cc(C#N)c[nH]2)c([O-])c1 ZINC000337651477 214198754 /nfs/dbraw/zinc/19/87/54/214198754.db2.gz KLGHUDOSVMCLEQ-UHFFFAOYSA-N -1 3 283.331 3.142 20 30 CGEDHM Cc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000075504563 345510472 /nfs/dbraw/zinc/51/04/72/345510472.db2.gz SDHVYHFBPFICAF-GFCCVEGCSA-N -1 3 280.327 3.063 20 30 CGEDHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000075504562 345510567 /nfs/dbraw/zinc/51/05/67/345510567.db2.gz SDHVYHFBPFICAF-LBPRGKRZSA-N -1 3 280.327 3.063 20 30 CGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280279560 346417688 /nfs/dbraw/zinc/41/76/88/346417688.db2.gz FWKYNHSBPUYEJT-OAHLLOKOSA-N -1 3 282.343 3.213 20 30 CGEDHM C[C@@H]1CCN(C(=O)CCCCC#N)c2c([O-])cccc21 ZINC000594341367 347170880 /nfs/dbraw/zinc/17/08/80/347170880.db2.gz OFQNQDOBZPUZHW-GFCCVEGCSA-N -1 3 272.348 3.316 20 30 CGEDHM N#CC[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000597905397 347603613 /nfs/dbraw/zinc/60/36/13/347603613.db2.gz OIGXNZCTCPBVBI-ZDUSSCGKSA-N -1 3 298.386 3.037 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000614133696 348651573 /nfs/dbraw/zinc/65/15/73/348651573.db2.gz OSZXIJLTNZGMPD-NSHDSACASA-N -1 3 277.389 3.295 20 30 CGEDHM CCc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000615767041 348764454 /nfs/dbraw/zinc/76/44/54/348764454.db2.gz RJZCZBXMFRAQPH-LBPRGKRZSA-N -1 3 294.354 3.317 20 30 CGEDHM CC(C)(C)Oc1cccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000626293924 350292451 /nfs/dbraw/zinc/29/24/51/350292451.db2.gz VAIQQDZIHQVJRG-GFCCVEGCSA-N -1 3 295.342 3.144 20 30 CGEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000272693368 191869685 /nfs/dbraw/zinc/86/96/85/191869685.db2.gz XKSXMMNOLFDYCE-UHFFFAOYSA-N -1 3 299.370 3.473 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(F)cc2)n1 ZINC000041520436 369189835 /nfs/dbraw/zinc/18/98/35/369189835.db2.gz AKUGBAFLKMTLIY-NSHDSACASA-N -1 3 260.293 3.081 20 30 CGEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000276212971 193244451 /nfs/dbraw/zinc/24/44/51/193244451.db2.gz LHOMIVVTPZZWJL-CQSZACIVSA-N -1 3 283.755 3.213 20 30 CGEDHM C#CCC1(C(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000276522549 193366097 /nfs/dbraw/zinc/36/60/97/193366097.db2.gz JRMHYVDWHNLRCI-UHFFFAOYSA-N -1 3 289.350 3.121 20 30 CGEDHM C=CCCCCCCCCNc1nc2nncc-2c(O)[n-]1 ZINC000288505116 371739256 /nfs/dbraw/zinc/73/92/56/371739256.db2.gz MSRHGMUPMOUHNX-UHFFFAOYSA-N -1 3 289.383 3.387 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(C(CC)CC)no1 ZINC000293224354 372330520 /nfs/dbraw/zinc/33/05/20/372330520.db2.gz DKCVYWKUVKOIPT-UHFFFAOYSA-N -1 3 286.322 3.406 20 30 CGEDHM C=C[C@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000162890428 372431744 /nfs/dbraw/zinc/43/17/44/372431744.db2.gz PBMHDAIIMOMYIV-LLVKDONJSA-N -1 3 287.281 3.347 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)ns1 ZINC000447511966 373442160 /nfs/dbraw/zinc/44/21/60/373442160.db2.gz WGUZTSKAKXODIF-SNVBAGLBSA-N -1 3 296.355 3.126 20 30 CGEDHM CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)c([O-])c1 ZINC000180974836 374065730 /nfs/dbraw/zinc/06/57/30/374065730.db2.gz BFSCJVUMVUJPTD-UHFFFAOYSA-N -1 3 296.326 3.223 20 30 CGEDHM N#CC(=C([O-])c1ccccc1)c1cnc2ccccc2n1 ZINC000190970454 375556406 /nfs/dbraw/zinc/55/64/06/375556406.db2.gz YZIXVSPOZRHOBU-ZDUSSCGKSA-N -1 3 273.295 3.120 20 30 CGEDHM C=CCOc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128229905 542051029 /nfs/dbraw/zinc/05/10/29/542051029.db2.gz GDJDDLFHYQVNJR-UHFFFAOYSA-N -1 3 287.290 3.348 20 30 CGEDHM C=C1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000264461567 190111238 /nfs/dbraw/zinc/11/12/38/190111238.db2.gz GVRVKGIZJBVAOG-UHFFFAOYSA-N -1 3 271.360 3.063 20 30 CGEDHM Cc1ccc(C2CC2)c(C([O-])=C(C#N)c2ccncn2)c1 ZINC000569839279 377531296 /nfs/dbraw/zinc/53/12/96/377531296.db2.gz QXRZRMRWPGIYSG-OAHLLOKOSA-N -1 3 277.327 3.153 20 30 CGEDHM Cc1cccc(C(=O)Nc2ccccc2CC#N)c1[O-] ZINC000573627787 377557578 /nfs/dbraw/zinc/55/75/78/377557578.db2.gz ASOGXVZCVODVAF-UHFFFAOYSA-N -1 3 266.300 3.019 20 30 CGEDHM Cc1ncsc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000345888585 378400988 /nfs/dbraw/zinc/40/09/88/378400988.db2.gz QXBYACJHUHUDIP-JTQLQIEISA-N -1 3 296.355 3.126 20 30 CGEDHM C=CCOCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274380709 378822802 /nfs/dbraw/zinc/82/28/02/378822802.db2.gz MVFFDQXOABKLAY-ZDUSSCGKSA-N -1 3 289.375 3.215 20 30 CGEDHM C=C(C)CN(Cc1ccccc1)Cc1nc(CC)cc(=O)[n-]1 ZINC000348234575 378852387 /nfs/dbraw/zinc/85/23/87/378852387.db2.gz LFIRHCXZGIRTBF-UHFFFAOYSA-N -1 3 297.402 3.323 20 30 CGEDHM C=CCCCc1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000278135849 379300255 /nfs/dbraw/zinc/30/02/55/379300255.db2.gz SMXNQHQECOQOFO-UHFFFAOYSA-N -1 3 274.320 3.350 20 30 CGEDHM C=CC[C@@H](CC)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000410126291 380075814 /nfs/dbraw/zinc/07/58/14/380075814.db2.gz XSAQMXSVMFXZBT-CYBMUJFWSA-N -1 3 279.355 3.325 20 30 CGEDHM C=CCN(Cc1cccs1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411140176 380131927 /nfs/dbraw/zinc/13/19/27/380131927.db2.gz SPKDDBKQYKJXOG-LBPRGKRZSA-N -1 3 289.404 3.301 20 30 CGEDHM N#Cc1ccc(NC2CC2)c(NC(=O)c2cccc([O-])c2)c1 ZINC000355646505 380735694 /nfs/dbraw/zinc/73/56/94/380735694.db2.gz UQEYGFCRNZSSNX-UHFFFAOYSA-N -1 3 293.326 3.090 20 30 CGEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c2cc(F)ccc21 ZINC000361665819 381862284 /nfs/dbraw/zinc/86/22/84/381862284.db2.gz ZRXDYLDCGRPOEA-ZDUSSCGKSA-N -1 3 293.301 3.202 20 30 CGEDHM C=CCC1(C(=O)[N-]OCc2ccc(F)cc2)CCC1 ZINC000190229768 130076783 /nfs/dbraw/zinc/07/67/83/130076783.db2.gz XPMWYFILEKAOJS-UHFFFAOYSA-N -1 3 263.312 3.120 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1C ZINC000647375899 392711988 /nfs/dbraw/zinc/71/19/88/392711988.db2.gz IVGLCRJQFYLMEG-NSHDSACASA-N -1 3 285.372 3.158 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000193816320 392886108 /nfs/dbraw/zinc/88/61/08/392886108.db2.gz YQUIOZZDQAHEBM-UHFFFAOYSA-N -1 3 273.317 3.128 20 30 CGEDHM Cc1ccc2c(CSCCC#N)ccc([O-])c2n1 ZINC000413015795 393016545 /nfs/dbraw/zinc/01/65/45/393016545.db2.gz UOSZSXIRWHBBBZ-UHFFFAOYSA-N -1 3 258.346 3.396 20 30 CGEDHM COc1cccc(N2CC[C@@H](/N=C/c3ccccc3[O-])C2)c1 ZINC000263956046 393154835 /nfs/dbraw/zinc/15/48/35/393154835.db2.gz HQOLTNNRZGAWNT-IYSPOMMRSA-N -1 3 296.370 3.099 20 30 CGEDHM N#Cc1ccc(CSCC(=O)Nc2ccccc2[O-])cc1 ZINC000045012366 397621476 /nfs/dbraw/zinc/62/14/76/397621476.db2.gz AQEVDCPCYHVMJY-UHFFFAOYSA-N -1 3 298.367 3.136 20 30 CGEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc2[n-]nnc21 ZINC000187887679 397661993 /nfs/dbraw/zinc/66/19/93/397661993.db2.gz JUGLZNKAARCTAW-UHFFFAOYSA-N -1 3 298.390 3.166 20 30 CGEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc2nn[n-]c21 ZINC000187887679 397661996 /nfs/dbraw/zinc/66/19/96/397661996.db2.gz JUGLZNKAARCTAW-UHFFFAOYSA-N -1 3 298.390 3.166 20 30 CGEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc2n[n-]nc21 ZINC000187887679 397661999 /nfs/dbraw/zinc/66/19/99/397661999.db2.gz JUGLZNKAARCTAW-UHFFFAOYSA-N -1 3 298.390 3.166 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)CCc1ccc(C#N)cc1 ZINC000183080569 165709941 /nfs/dbraw/zinc/70/99/41/165709941.db2.gz LNYAZVBIUGBOLU-UHFFFAOYSA-N -1 3 280.327 3.144 20 30 CGEDHM N#CC(=C([O-])c1ccc2c3c(cccc31)CC2)c1ccncn1 ZINC000354481903 227010718 /nfs/dbraw/zinc/01/07/18/227010718.db2.gz ZBTOTFSZDOCTGD-INIZCTEOSA-N -1 3 299.333 3.218 20 30 CGEDHM C=CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000656759511 419210460 /nfs/dbraw/zinc/21/04/60/419210460.db2.gz HKRBFJYGTQRXSL-GFCCVEGCSA-N -1 3 263.337 3.074 20 30 CGEDHM O=C(NCC1C2CC3CC(C2)CC1C3)c1csc(=O)[n-]1 ZINC000329951941 227996366 /nfs/dbraw/zinc/99/63/66/227996366.db2.gz MYQZSGWLPMNVSG-UHFFFAOYSA-N -1 3 292.404 3.226 20 30 CGEDHM Cc1ccnc2ccc(C([O-])=C(C#N)c3ccccn3)cc12 ZINC000353513881 228113127 /nfs/dbraw/zinc/11/31/27/228113127.db2.gz FSHBMZQEWGHRSG-HNNXBMFYSA-N -1 3 287.322 3.428 20 30 CGEDHM COc1ccc(COCCC/N=C/c2ccccc2[O-])cc1 ZINC000066255499 260244889 /nfs/dbraw/zinc/24/48/89/260244889.db2.gz BEWSDDOYIAMQMT-CPNJWEJPSA-N -1 3 299.370 3.427 20 30 CGEDHM C[C@@H]1COCCN1c1ccc(/N=C/c2ccccc2[O-])cc1 ZINC000078022816 260299026 /nfs/dbraw/zinc/29/90/26/260299026.db2.gz ZVHAREXCFOLGJV-ONDHQXCVSA-N -1 3 296.370 3.368 20 30 CGEDHM CCCn1nc(C)c(/C=C2/Cc3c(cccc3[O-])C2=O)c1C ZINC000160709256 261223947 /nfs/dbraw/zinc/22/39/47/261223947.db2.gz KUUAXKVGEFMWNJ-LCYFTJDESA-N -1 3 296.370 3.438 20 30 CGEDHM N#CC1(CCS(=O)(=O)c2cccc([O-])c2)CCCCC1 ZINC000414218197 262827169 /nfs/dbraw/zinc/82/71/69/262827169.db2.gz DPBRCVSUAKJXKG-UHFFFAOYSA-N -1 3 293.388 3.030 20 30 CGEDHM [O-]c1ccccc1/C=N/[C@H]1CCCC12CCOCC2 ZINC000282380667 263076287 /nfs/dbraw/zinc/07/62/87/263076287.db2.gz ACCQQSZMHJHRHB-YSKWHIJTSA-N -1 3 259.349 3.160 20 30 CGEDHM CC[C@](C)(C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000285653834 263094671 /nfs/dbraw/zinc/09/46/71/263094671.db2.gz COIMYRUHFMUXPE-GFCCVEGCSA-N -1 3 297.152 3.033 20 30 CGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1[O-] ZINC000331249349 264180193 /nfs/dbraw/zinc/18/01/93/264180193.db2.gz XQJDCRBLQVAZIC-IINYFYTJSA-N -1 3 275.348 3.478 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2scnc2C(C)C)n1 ZINC000331318726 264189074 /nfs/dbraw/zinc/18/90/74/264189074.db2.gz JXYUVXHBMZRBJF-UHFFFAOYSA-N -1 3 277.349 3.312 20 30 CGEDHM Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c([O-])c1 ZINC000294516081 328281472 /nfs/dbraw/zinc/28/14/72/328281472.db2.gz YEMOCTRCNANFSJ-MRXNPFEDSA-N -1 3 270.332 3.113 20 30 CGEDHM CC1CC(C#N)(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000532013162 328391235 /nfs/dbraw/zinc/39/12/35/328391235.db2.gz YYWCWVMFSYITMV-UHFFFAOYSA-N -1 3 298.264 3.289 20 30 CGEDHM C(#Cc1ccccc1)CSc1n[n-]c(-c2ccccn2)n1 ZINC000188015202 329363383 /nfs/dbraw/zinc/36/33/83/329363383.db2.gz SNLRPNMSWRZMKR-UHFFFAOYSA-N -1 3 292.367 3.011 20 30 CGEDHM CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000422119045 330125561 /nfs/dbraw/zinc/12/55/61/330125561.db2.gz JDPOQVMUBMVRNA-ZDUSSCGKSA-N -1 3 279.343 3.264 20 30 CGEDHM C=CCC1(c2nc(-c3ccc([O-])cc3)no2)CCOCC1 ZINC000424227707 330330400 /nfs/dbraw/zinc/33/04/00/330330400.db2.gz ZTDBRTBBLABHFS-UHFFFAOYSA-N -1 3 286.331 3.067 20 30 CGEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436731510 330683754 /nfs/dbraw/zinc/68/37/54/330683754.db2.gz LMUCJEISUUZSBP-MRXNPFEDSA-N -1 3 294.354 3.258 20 30 CGEDHM N#CCc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000438839450 330729834 /nfs/dbraw/zinc/72/98/34/330729834.db2.gz WYMDMFWGZWSPPM-UHFFFAOYSA-N -1 3 274.270 3.349 20 30 CGEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471762703 331519358 /nfs/dbraw/zinc/51/93/58/331519358.db2.gz SLCBBNRLKGTWIG-LBPRGKRZSA-N -1 3 282.343 3.167 20 30 CGEDHM CCC(C#N)(CC)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000528962693 333466536 /nfs/dbraw/zinc/46/65/36/333466536.db2.gz IBCKJUHFCXIFEF-UHFFFAOYSA-N -1 3 296.374 3.076 20 30 CGEDHM CCc1cc(C([O-])=C(C#N)c2ccccn2)oc1CC ZINC000128699664 333700414 /nfs/dbraw/zinc/70/04/14/333700414.db2.gz DASONNBUPBJHST-LBPRGKRZSA-N -1 3 268.316 3.289 20 30 CGEDHM N#CC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCC1 ZINC000134215053 334084508 /nfs/dbraw/zinc/08/45/08/334084508.db2.gz HCRQTDXXZLELJN-UHFFFAOYSA-N -1 3 284.237 3.043 20 30 CGEDHM N#CCCC[C@H](NCc1ncccc1[O-])c1ccccc1 ZINC000552313191 334315661 /nfs/dbraw/zinc/31/56/61/334315661.db2.gz UJKFFWGVAWJSME-HNNXBMFYSA-N -1 3 281.359 3.312 20 30 CGEDHM CCCCc1nnc([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000084060348 521326849 /nfs/dbraw/zinc/32/68/49/521326849.db2.gz KGSBZDAZEMJTFQ-UHFFFAOYSA-N -1 3 292.389 3.066 20 30 CGEDHM C=CCC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000350510691 527483156 /nfs/dbraw/zinc/48/31/56/527483156.db2.gz IFXQMEJCKWSANJ-LBPRGKRZSA-N -1 3 288.372 3.286 20 30 CGEDHM CC(C)c1scnc1C([O-])=C(C#N)c1ccccn1 ZINC000355101349 528523384 /nfs/dbraw/zinc/52/33/84/528523384.db2.gz PJYNPMFLTZNMJU-JTQLQIEISA-N -1 3 271.345 3.152 20 30 CGEDHM C[C@@H](/N=C\c1ccccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226233 571796151 /nfs/dbraw/zinc/79/61/51/571796151.db2.gz KRENBTNXWJTQHX-ZDFPAGSVSA-N -1 3 294.354 3.091 20 30 CGEDHM CC(=NNCc1cc(F)ccc1F)c1ccc([O-])c(F)c1 ZINC000728430007 571804979 /nfs/dbraw/zinc/80/49/79/571804979.db2.gz WSKWNQVRLXTKRM-UHFFFAOYSA-N -1 3 294.276 3.323 20 30 CGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@H](C(C)C)C2)c1[O-] ZINC000728785547 571822076 /nfs/dbraw/zinc/82/20/76/571822076.db2.gz KLXIIXIEIFETQJ-SMEZPVGDSA-N -1 3 290.407 3.222 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cnc3ccccn23)ccc1[O-] ZINC000740765672 571876625 /nfs/dbraw/zinc/87/66/25/571876625.db2.gz NAVSLROEZJUBGQ-VURMDHGXSA-N -1 3 278.311 3.244 20 30 CGEDHM N#Cc1ccc(C/N=C/c2ccccc2[O-])c(F)c1 ZINC000729819135 571933216 /nfs/dbraw/zinc/93/32/16/571933216.db2.gz FEDGFOKNYSTLRP-VCHYOVAHSA-N -1 3 254.264 3.022 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\[C@@H]2CCc3ccc(F)cc32)c1O ZINC000730147809 571951275 /nfs/dbraw/zinc/95/12/75/571951275.db2.gz SZEODEXPIULVTI-KURMNSRBSA-N -1 3 287.290 3.049 20 30 CGEDHM CO[C@H](C)CC/N=C\c1c([O-])ccc2ccccc21 ZINC000726428478 572576795 /nfs/dbraw/zinc/57/67/95/572576795.db2.gz BKOMIGNHNJOTDO-ZSAINHDTSA-N -1 3 257.333 3.389 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\[C@H]2CSc3ccccc32)c1O ZINC000735414020 572717416 /nfs/dbraw/zinc/71/74/16/572717416.db2.gz BVTOIGCTJLVBEO-FQKZPNAISA-N -1 3 287.340 3.069 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=CC2CCCCC2)nc(C)n1 ZINC000735592612 572731454 /nfs/dbraw/zinc/73/14/54/572731454.db2.gz BZBJEUUNGCGZJQ-XVJNWHFHSA-N -1 3 283.375 3.406 20 30 CGEDHM C#CCN(Cc1ccc(F)cc1C(=O)[O-])C1CCCCC1 ZINC000736079235 572766061 /nfs/dbraw/zinc/76/60/61/572766061.db2.gz JTHAYNBNJIWMJN-UHFFFAOYSA-N -1 3 289.350 3.292 20 30 CGEDHM CC(=[NH+][N-]c1ccccn1)c1ccc(N2CCCC2)cc1[O-] ZINC000748243980 572970413 /nfs/dbraw/zinc/97/04/13/572970413.db2.gz GAEWRUNQRYCIRR-UHFFFAOYSA-N -1 3 296.374 3.224 20 30 CGEDHM C[C@H](CC/N=C\c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000749748558 573029635 /nfs/dbraw/zinc/02/96/35/573029635.db2.gz HNVHTVWCFSPILZ-OTWJJXBCSA-N -1 3 285.343 3.416 20 30 CGEDHM C[C@@H](Cc1ccncc1)/N=C\c1cc(Cl)ccc1[O-] ZINC000749844142 573046138 /nfs/dbraw/zinc/04/61/38/573046138.db2.gz HVIBLGZTBLEYAI-TZQXVGBESA-N -1 3 274.751 3.491 20 30 CGEDHM O=C1CCCc2ccc(N=Cc3cccc([O-])c3O)cc21 ZINC000749931195 573062024 /nfs/dbraw/zinc/06/20/24/573062024.db2.gz RLFJOXFAYVEPTR-UHFFFAOYSA-N -1 3 281.311 3.367 20 30 CGEDHM COc1cccc([O-])c1/C=N\CC1CCC(OC)CC1 ZINC000749931975 573062811 /nfs/dbraw/zinc/06/28/11/573062811.db2.gz YJZJTLYOIZCWRK-BOPFTXTBSA-N -1 3 277.364 3.025 20 30 CGEDHM C[C@@H]1CC[C@]2(CCN(Cc3cccc(C(=O)[O-])c3C#N)C2)C1 ZINC000833612080 605140616 /nfs/dbraw/zinc/14/06/16/605140616.db2.gz QGAYAZQXDRDULK-ACJLOTCBSA-N -1 3 298.386 3.269 20 30 CGEDHM CCC[C@H](C)C(CC)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000821014991 606237745 /nfs/dbraw/zinc/23/77/45/606237745.db2.gz MUXACHOTZRNRRN-NSHDSACASA-N -1 3 286.383 3.481 20 30 CGEDHM CCC[C@H](C)C(CC)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000821014991 606237746 /nfs/dbraw/zinc/23/77/46/606237746.db2.gz MUXACHOTZRNRRN-NSHDSACASA-N -1 3 286.383 3.481 20 30 CGEDHM C=C(CC)CSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823883270 608298868 /nfs/dbraw/zinc/29/88/68/608298868.db2.gz MSMUFNFGVHBJRU-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C=C(CC)CSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823883270 608298866 /nfs/dbraw/zinc/29/88/66/608298866.db2.gz MSMUFNFGVHBJRU-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824925182 609473419 /nfs/dbraw/zinc/47/34/19/609473419.db2.gz BFSOZGJPWMHXBQ-MRVPVSSYSA-N -1 3 290.758 3.108 20 30 CGEDHM C[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824925182 609473421 /nfs/dbraw/zinc/47/34/21/609473421.db2.gz BFSOZGJPWMHXBQ-MRVPVSSYSA-N -1 3 290.758 3.108 20 30 CGEDHM O=C(c1ccncc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000899895294 620733875 /nfs/dbraw/zinc/73/38/75/620733875.db2.gz QNYRYFLXIXXLQL-UHFFFAOYSA-N -1 3 297.141 3.420 20 30 CGEDHM Cc1ccc2cccc(N=Cc3ccc(O)c([O-])c3O)c2n1 ZINC000255246951 618132364 /nfs/dbraw/zinc/13/23/64/618132364.db2.gz KOIOYPMIUVMCFJ-UHFFFAOYSA-N -1 3 294.310 3.411 20 30 CGEDHM CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1[O-] ZINC000926531108 618727348 /nfs/dbraw/zinc/72/73/48/618727348.db2.gz GDRLDDGFTVPUJO-CQDKDKBSSA-N -1 3 296.374 3.207 20 30 CGEDHM COc1cc(C(=O)/C=C\c2scnc2C)ccc1[O-] ZINC000255671662 618774956 /nfs/dbraw/zinc/77/49/56/618774956.db2.gz HOABMFCXAFHSKQ-WAYWQWQTSA-N -1 3 275.329 3.062 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000255714683 618779899 /nfs/dbraw/zinc/77/98/99/618779899.db2.gz GFHXNXQQQQFIPA-SZEUGONRSA-N -1 3 279.767 3.422 20 30 CGEDHM CO[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])C12CCC2 ZINC000840709107 620099131 /nfs/dbraw/zinc/09/91/31/620099131.db2.gz AZFWRISVLROMTK-JDEPJGEESA-N -1 3 279.767 3.422 20 30 CGEDHM CO[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1(C)C ZINC000753138267 620315158 /nfs/dbraw/zinc/31/51/58/620315158.db2.gz LTIPEKNIIODWFJ-DKMDKWEQSA-N -1 3 267.756 3.278 20 30 CGEDHM CCCCCCCC(=O)[N-]OCc1cccc(C)n1 ZINC000898936434 620610882 /nfs/dbraw/zinc/61/08/82/620610882.db2.gz TZFYNIZDMDVQPN-UHFFFAOYSA-N -1 3 264.369 3.298 20 30 CGEDHM Cc1cc(=O)[n-]c(CSCC2CCC(C#N)CC2)n1 ZINC000902343540 621255495 /nfs/dbraw/zinc/25/54/95/621255495.db2.gz RUDOJQYCQZCOOP-UHFFFAOYSA-N -1 3 277.393 3.054 20 30 CGEDHM C[C@@H]1COCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170982 621883912 /nfs/dbraw/zinc/88/39/12/621883912.db2.gz HMVXSDNCZFNNLX-CZUORRHYSA-N -1 3 299.370 3.230 20 30 CGEDHM Cc1noc(C(C)C)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174873 621885029 /nfs/dbraw/zinc/88/50/29/621885029.db2.gz KRQFZZRVAOHCRM-UHFFFAOYSA-N -1 3 292.310 3.277 20 30 CGEDHM O=C([C@H]1C[C@@H]1C(F)F)N([O-])CCCCc1ccccc1 ZINC000904197588 621887822 /nfs/dbraw/zinc/88/78/22/621887822.db2.gz IDTGJLCNMQZDSZ-STQMWFEESA-N -1 3 283.318 3.128 20 30 CGEDHM O=C(C[C@H]1CCCOC1)N([O-])CCCCc1ccccc1 ZINC000904197852 621888601 /nfs/dbraw/zinc/88/86/01/621888601.db2.gz ORIHTTJQYRYKFE-MRXNPFEDSA-N -1 3 291.391 3.044 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc2ccccc2[nH]c1=O ZINC000904205855 621889596 /nfs/dbraw/zinc/88/95/96/621889596.db2.gz VRCJUIBDPDLAKX-UHFFFAOYSA-N -1 3 288.347 3.352 20 30 CGEDHM CCCCN([O-])C(=O)CCc1ccc2[nH]ccc2c1 ZINC000904212766 621890602 /nfs/dbraw/zinc/89/06/02/621890602.db2.gz UIUPPGGYOCTTTI-UHFFFAOYSA-N -1 3 260.337 3.118 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000904212333 621890844 /nfs/dbraw/zinc/89/08/44/621890844.db2.gz OPUAGDOVDLNSFP-QWRGUYRKSA-N -1 3 253.367 3.178 20 30 CGEDHM CCCCN([O-])C(=O)C1CCC(C(F)(F)F)CC1 ZINC000904212357 621890872 /nfs/dbraw/zinc/89/08/72/621890872.db2.gz DQIXKTSVDSFTQV-UHFFFAOYSA-N -1 3 267.291 3.373 20 30 CGEDHM CC(C)O[C@@]1(C/N=C\c2cc(Cl)ccc2[O-])CCOC1 ZINC000905002715 622027513 /nfs/dbraw/zinc/02/75/13/622027513.db2.gz KTADGEWJHOQVQC-TUBDAXHVSA-N -1 3 297.782 3.049 20 30 CGEDHM CCCCNN=C(C)c1cc(Br)ccc1[O-] ZINC000915966507 624082336 /nfs/dbraw/zinc/08/23/36/624082336.db2.gz VDXGSMGYVJDEPY-UHFFFAOYSA-N -1 3 285.185 3.268 20 30 CGEDHM N#C[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000838146683 626197278 /nfs/dbraw/zinc/19/72/78/626197278.db2.gz VDZPCMYANKMULD-OAHLLOKOSA-N -1 3 291.322 3.089 20 30 CGEDHM [O-]c1cccc(Cl)c1C=NNc1cnnc2ccccc21 ZINC000755733043 626640715 /nfs/dbraw/zinc/64/07/15/626640715.db2.gz BYRVICPFJHMHMC-UHFFFAOYSA-N -1 3 298.733 3.435 20 30 CGEDHM Cc1nnc([C@H](C)/N=C/c2cc(Cl)ccc2[O-])s1 ZINC000758814750 626860745 /nfs/dbraw/zinc/86/07/45/626860745.db2.gz IDOKHUKQESILEZ-GYXDYACRSA-N -1 3 281.768 3.386 20 30 CGEDHM C[C@H](C#N)CN(Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000769543635 627564556 /nfs/dbraw/zinc/56/45/56/627564556.db2.gz FEBSYMUEIUFKPY-SNVBAGLBSA-N -1 3 264.756 3.170 20 30 CGEDHM CC(=NNC[C@H](C)C#N)c1ccc2ccccc2c1[O-] ZINC000771095359 627682524 /nfs/dbraw/zinc/68/25/24/627682524.db2.gz AKEJIIMQWDEJSG-LLVKDONJSA-N -1 3 267.332 3.019 20 30 CGEDHM C#CCOc1ccccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000775939027 628151117 /nfs/dbraw/zinc/15/11/17/628151117.db2.gz JCVVYPWVBAXWDV-UHFFFAOYSA-N -1 3 295.338 3.273 20 30 CGEDHM C=C[C@@H](CC)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000776103292 628166796 /nfs/dbraw/zinc/16/67/96/628166796.db2.gz DTGDKHIJTUQDBL-JTQLQIEISA-N -1 3 260.293 3.100 20 30 CGEDHM C=C[C@@H](CC)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000776103292 628166801 /nfs/dbraw/zinc/16/68/01/628166801.db2.gz DTGDKHIJTUQDBL-JTQLQIEISA-N -1 3 260.293 3.100 20 30 CGEDHM CC1(C)CCC[C@@H]1NN=Cc1ccc([O-])c(F)c1 ZINC000782301580 628636509 /nfs/dbraw/zinc/63/65/09/628636509.db2.gz PTBTXWMMYJSBET-ZDUSSCGKSA-N -1 3 250.317 3.034 20 30 CGEDHM N#Cc1cccc(COC(=O)c2cc3occc3[n-]2)c1F ZINC000786033365 628909007 /nfs/dbraw/zinc/90/90/07/628909007.db2.gz JHWHZHZFKXGPCH-UHFFFAOYSA-N -1 3 284.246 3.129 20 30 CGEDHM C=CCN(Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000792175254 629344491 /nfs/dbraw/zinc/34/44/91/629344491.db2.gz PRUFGSWALGOFOA-UHFFFAOYSA-N -1 3 255.720 3.335 20 30 CGEDHM COc1cccc(NN=Cc2c(F)ccc([O-])c2F)c1 ZINC000794484908 629546289 /nfs/dbraw/zinc/54/62/89/629546289.db2.gz YCTVYKHESNKSOC-UHFFFAOYSA-N -1 3 278.258 3.125 20 30 CGEDHM COCCCCNc1ccc(-c2ccc([O-])cc2C#N)cn1 ZINC000863722719 629661144 /nfs/dbraw/zinc/66/11/44/629661144.db2.gz KSFUPWFXLLZQED-UHFFFAOYSA-N -1 3 297.358 3.164 20 30 CGEDHM CS[C@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000864346857 629813816 /nfs/dbraw/zinc/81/38/16/629813816.db2.gz FRIMLIGOMKCNHF-RFLQBPERSA-N -1 3 255.770 3.359 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCCn2nccc21 ZINC000864348137 629815789 /nfs/dbraw/zinc/81/57/89/629815789.db2.gz FPUHOYCXLUSRBT-PFSWGADMSA-N -1 3 275.739 3.196 20 30 CGEDHM C[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@@H](C)O1 ZINC000864347666 629815844 /nfs/dbraw/zinc/81/58/44/629815844.db2.gz VTCFNNOBRZELBL-CJGPOYDVSA-N -1 3 253.729 3.030 20 30 CGEDHM C#C[C@H](/N=C\c1cc(Br)ccc1[O-])C(C)C ZINC000798344078 630046973 /nfs/dbraw/zinc/04/69/73/630046973.db2.gz ZAWFTBZAGXDXQP-IYVNWDGISA-N -1 3 280.165 3.231 20 30 CGEDHM COc1ccccc1CON=C(C)c1ccc([O-])cc1F ZINC000799118887 630147297 /nfs/dbraw/zinc/14/72/97/630147297.db2.gz ZJVZRROAVIKVJP-UHFFFAOYSA-N -1 3 289.306 3.481 20 30 CGEDHM CCCCCCCCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000808776771 630677479 /nfs/dbraw/zinc/67/74/79/630677479.db2.gz YVKNKFFFLAAEGB-CQSZACIVSA-N -1 3 294.443 3.440 20 30 CGEDHM CSc1ccccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187619 631042318 /nfs/dbraw/zinc/04/23/18/631042318.db2.gz KDOJAGIAWXNKBJ-UHFFFAOYSA-N -1 3 299.351 3.343 20 30 CGEDHM CC(C)OCCON=Cc1c([O-])ccc2ccccc21 ZINC000812239224 631229612 /nfs/dbraw/zinc/22/96/12/631229612.db2.gz QMOPPDDDFXXDGN-UHFFFAOYSA-N -1 3 273.332 3.321 20 30 CGEDHM C#CCO[N-]C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000812786693 631308331 /nfs/dbraw/zinc/30/83/31/631308331.db2.gz SEIUKLIFABVHCG-UHFFFAOYSA-N -1 3 287.403 3.378 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cnn(CC(F)F)c2)ccc1[O-] ZINC000814187782 631542693 /nfs/dbraw/zinc/54/26/93/631542693.db2.gz BANAURGEYVIFCF-RQOWECAXSA-N -1 3 292.285 3.058 20 30 CGEDHM N#CCC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816567416 632015252 /nfs/dbraw/zinc/01/52/52/632015252.db2.gz ZXSOOTGCTBWXRH-UHFFFAOYSA-N -1 3 282.746 3.310 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CC12CC2 ZINC000818992298 632360635 /nfs/dbraw/zinc/36/06/35/632360635.db2.gz PIYKXVQFMHKDRX-LLUUXILJSA-N -1 3 266.138 3.126 20 30 CGEDHM CCCc1nc(C)c(CN[C@@H](C)c2cccc(C#N)c2[O-])o1 ZINC000866362588 633101545 /nfs/dbraw/zinc/10/15/45/633101545.db2.gz BYVFZJZIDDFNRF-NSHDSACASA-N -1 3 299.374 3.364 20 30 CGEDHM CCCc1ncc(CN[C@@H](C)c2cccc(C#N)c2[O-])o1 ZINC000866371158 633108147 /nfs/dbraw/zinc/10/81/47/633108147.db2.gz HLPSOJVBWUJPHP-NSHDSACASA-N -1 3 285.347 3.055 20 30 CGEDHM C=CCC1(C(=O)[N-]OCc2ccccc2)CCCC1 ZINC000823942969 633171730 /nfs/dbraw/zinc/17/17/30/633171730.db2.gz AJJPVCDMTOMVMQ-UHFFFAOYSA-N -1 3 259.349 3.371 20 30 CGEDHM CCOC1CC2(C[C@H]2/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000871598538 633800978 /nfs/dbraw/zinc/80/09/78/633800978.db2.gz SRFLSQFXBDQAIM-BOLHKKDZSA-N -1 3 279.767 3.422 20 30 CGEDHM CCN(Cc1c([O-])cc(C)cc1Cl)C[C@@H](C)C#N ZINC000840909865 635080291 /nfs/dbraw/zinc/08/02/91/635080291.db2.gz AJHDGHHEFJUGDU-NSHDSACASA-N -1 3 266.772 3.336 20 30 CGEDHM CC(NN=c1c(F)c(F)[n-]c(F)c1F)=C1CC1(F)F ZINC000841608378 635196412 /nfs/dbraw/zinc/19/64/12/635196412.db2.gz DEKFVMXAFJKCMW-BYPYZUCNSA-N -1 3 283.175 3.081 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 ZINC000844655043 635950792 /nfs/dbraw/zinc/95/07/92/635950792.db2.gz XTRZFDAHKXFDTB-UWVGGRQHSA-N -1 3 295.408 3.286 20 30 CGEDHM C=CCCO[N-]C(=O)CC[C@@H]1CCc2ccccc21 ZINC000880725488 636042553 /nfs/dbraw/zinc/04/25/53/636042553.db2.gz YXJYQBQOIULANT-AWEZNQCLSA-N -1 3 259.349 3.121 20 30 CGEDHM N#CC1(CNCc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000846009687 636129145 /nfs/dbraw/zinc/12/91/45/636129145.db2.gz BFIJJIQUKHZQKV-UHFFFAOYSA-N -1 3 282.746 3.358 20 30 CGEDHM C=C(C)CO[N-]C(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000846534836 636194173 /nfs/dbraw/zinc/19/41/73/636194173.db2.gz DMPHZOZBOKBERY-UHFFFAOYSA-N -1 3 277.339 3.162 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1coc2c1ccc(C)c2C ZINC000846540149 636196578 /nfs/dbraw/zinc/19/65/78/636196578.db2.gz NVAAJZWAXFYUGY-UHFFFAOYSA-N -1 3 273.332 3.216 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000846553336 636200909 /nfs/dbraw/zinc/20/09/09/636200909.db2.gz BBRBJAOFCIZRHH-NWDGAFQWSA-N -1 3 272.348 3.284 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000846552727 636200929 /nfs/dbraw/zinc/20/09/29/636200929.db2.gz ONSXUIDHAYNAST-ZCFIWIBFSA-N -1 3 295.207 3.220 20 30 CGEDHM C#C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000848923677 636693556 /nfs/dbraw/zinc/69/35/56/636693556.db2.gz IENQCXYFORSSJE-JTQLQIEISA-N -1 3 267.731 3.030 20 30 CGEDHM C#CC[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000849344194 636815602 /nfs/dbraw/zinc/81/56/02/636815602.db2.gz DNDUISIAUIWLFP-GFCCVEGCSA-N -1 3 291.778 3.274 20 30 CGEDHM CCN(Cc1c([O-])ccc2ccc(OC)cc21)[C@@H](C)C#N ZINC000853580131 637870498 /nfs/dbraw/zinc/87/04/98/637870498.db2.gz XVKCDXPLNOIXPI-LBPRGKRZSA-N -1 3 284.359 3.288 20 30 CGEDHM C=CCCO[N-]C(=O)CCCSc1ccc(OC)cc1 ZINC000856033936 638287955 /nfs/dbraw/zinc/28/79/55/638287955.db2.gz XFSQKHJFVOMULP-UHFFFAOYSA-N -1 3 295.404 3.191 20 30 CGEDHM CC[C@H](NCc1cc(C2CC2)no1)c1cccc(C#N)c1[O-] ZINC000926869106 638819255 /nfs/dbraw/zinc/81/92/55/638819255.db2.gz PORSTOMLZIGBQK-HNNXBMFYSA-N -1 3 297.358 3.370 20 30 CGEDHM CC(C)CN(CCC#N)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000929688936 638941496 /nfs/dbraw/zinc/94/14/96/638941496.db2.gz YDCGHBJMKNMFHZ-AWEZNQCLSA-N -1 3 288.391 3.083 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(Cl)c(F)c1 ZINC000862133266 639649609 /nfs/dbraw/zinc/64/96/09/639649609.db2.gz WCXWGBSAKPYNLM-SECBINFHSA-N -1 3 271.719 3.034 20 30 CGEDHM C=C[C@H](CC)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000935988580 639878055 /nfs/dbraw/zinc/87/80/55/639878055.db2.gz YRXGDNVVRZETEQ-LLVKDONJSA-N -1 3 261.321 3.136 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245559401 640627180 /nfs/dbraw/zinc/62/71/80/640627180.db2.gz UDFKFLZZRRNTOW-QBACMOFQSA-N -1 3 291.778 3.422 20 30 CGEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC2(C)CCC2)n1 ZINC001156069667 805648334 /nfs/dbraw/zinc/64/83/34/805648334.db2.gz OXCIFCFYQLXSED-AWNIVKPZSA-N -1 3 286.788 3.015 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](OC)c1ccc(F)cc1 ZINC001161826834 806465572 /nfs/dbraw/zinc/46/55/72/806465572.db2.gz MRVWHYYXQJAVIQ-CQSZACIVSA-N -1 3 283.343 3.311 20 30 CGEDHM Cc1cccc([O-])c1C(=O)Nc1cccc(CC#N)c1 ZINC000706618683 799964019 /nfs/dbraw/zinc/96/40/19/799964019.db2.gz CLDMSUBQYKSXAC-UHFFFAOYSA-N -1 3 266.300 3.019 20 30 CGEDHM CC[C@H](N[C@@H](C)c1nccn1CC)c1cccc(C#N)c1[O-] ZINC000822658634 800463873 /nfs/dbraw/zinc/46/38/73/800463873.db2.gz FWGLPROXVSBOCD-WFASDCNBSA-N -1 3 298.390 3.282 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCc1ccccc1C1CC1 ZINC001118322792 802549413 /nfs/dbraw/zinc/54/94/13/802549413.db2.gz QQDBYRFMCNWZQS-UHFFFAOYSA-N -1 3 287.388 3.339 20 30 CGEDHM COCc1cc(OC)ccc1-c1ccccc1C=N[O-] ZINC001244024720 803147481 /nfs/dbraw/zinc/14/74/81/803147481.db2.gz ZSTJTGIDNUKKNL-UHFFFAOYSA-N -1 3 271.316 3.317 20 30 CGEDHM N#Cc1ccc(F)c([N-]C(=O)c2nc(Cl)ccc2F)c1 ZINC001129597788 803242121 /nfs/dbraw/zinc/24/21/21/803242121.db2.gz MGYWDVBQMLZJEE-UHFFFAOYSA-N -1 3 293.660 3.137 20 30 CGEDHM Cc1cc(-c2cccnc2CC#N)cc(Cl)c1[O-] ZINC001244550978 803434170 /nfs/dbraw/zinc/43/41/70/803434170.db2.gz QFNSCBOSJUIBGK-UHFFFAOYSA-N -1 3 258.708 3.482 20 30 CGEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc([O-])c1F ZINC001137581694 803741537 /nfs/dbraw/zinc/74/15/37/803741537.db2.gz BHPQJLLSAXICBM-UHFFFAOYSA-N -1 3 298.317 3.201 20 30 CGEDHM N#Cc1cccc2[nH]cc(C(=O)Nc3ccc([O-])cc3F)c21 ZINC001137762911 803769211 /nfs/dbraw/zinc/76/92/11/803769211.db2.gz RXDKQEWRSSJITE-UHFFFAOYSA-N -1 3 295.273 3.137 20 30 CGEDHM CCc1ccccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001148412056 805181365 /nfs/dbraw/zinc/18/13/65/805181365.db2.gz XUMVDBKTVUBTNN-UHFFFAOYSA-N -1 3 266.300 3.079 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cc(F)cc(N)c2Cl)c1 ZINC001249653642 805203892 /nfs/dbraw/zinc/20/38/92/805203892.db2.gz SQULUFOWXLCZAK-UHFFFAOYSA-N -1 3 277.686 3.382 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cccc(CO)c2Cl)c1 ZINC001212764330 815131447 /nfs/dbraw/zinc/13/14/47/815131447.db2.gz TVTWVYRXSXZENR-UHFFFAOYSA-N -1 3 274.707 3.153 20 30 CGEDHM Cc1csc([N-]C(=O)c2cc(C(C)(C)C)on2)c1C#N ZINC001261146000 807713337 /nfs/dbraw/zinc/71/33/37/807713337.db2.gz WERDRNACMWXTAH-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])c(C)c1 ZINC001174024752 808830836 /nfs/dbraw/zinc/83/08/36/808830836.db2.gz PIDFOTZXDWSWMS-UHFFFAOYSA-N -1 3 254.289 3.325 20 30 CGEDHM N#CCc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175099557 809270567 /nfs/dbraw/zinc/27/05/67/809270567.db2.gz MQPRJEKWCOFBGN-UHFFFAOYSA-N -1 3 260.243 3.480 20 30 CGEDHM N#Cc1cn(-c2c(F)cc([O-])cc2F)c2ccc(N)cc12 ZINC001175099436 809270863 /nfs/dbraw/zinc/27/08/63/809270863.db2.gz GVMIMGMUDFARSU-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM CCOc1ccc(OC)cc1Nc1cc(C#N)ccc1[O-] ZINC001175213742 809311148 /nfs/dbraw/zinc/31/11/48/809311148.db2.gz MFAMTHFFGHXARE-UHFFFAOYSA-N -1 3 284.315 3.415 20 30 CGEDHM CC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1F ZINC001175233239 809318332 /nfs/dbraw/zinc/31/83/32/809318332.db2.gz TYGBYVJKZREHAV-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM CC#CCCCCCCCC(=O)Nc1cncc([O-])c1 ZINC001182764211 810122844 /nfs/dbraw/zinc/12/28/44/810122844.db2.gz GIANKYAKFCQPNH-UHFFFAOYSA-N -1 3 274.364 3.480 20 30 CGEDHM COc1ccc(NCc2ccc([O-])c(F)c2)cc1C#N ZINC001183428827 810148564 /nfs/dbraw/zinc/14/85/64/810148564.db2.gz LTANHSAABZZDSS-UHFFFAOYSA-N -1 3 272.279 3.024 20 30 CGEDHM CCCCN([O-])C(=O)Cc1c(F)cccc1Cl ZINC001184315090 810190834 /nfs/dbraw/zinc/19/08/34/810190834.db2.gz QLXBRUKKAKFJJB-UHFFFAOYSA-N -1 3 259.708 3.040 20 30 CGEDHM N#Cc1ccc(NC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001184749737 810217294 /nfs/dbraw/zinc/21/72/94/810217294.db2.gz PPDVTKLDPGVTSQ-UHFFFAOYSA-N -1 3 271.251 3.047 20 30 CGEDHM CCCCCCCCC[N-]S(=O)(=O)c1cscn1 ZINC001184929083 810223564 /nfs/dbraw/zinc/22/35/64/810223564.db2.gz YDRMGUZDMXKKRV-UHFFFAOYSA-N -1 3 290.454 3.172 20 30 CGEDHM C[C@@H](NC(=O)Nc1ccc([O-])cc1C#N)c1ccc(F)cc1 ZINC001193143843 810859604 /nfs/dbraw/zinc/85/96/04/810859604.db2.gz 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/nfs/dbraw/zinc/16/29/20/812162920.db2.gz UEQQFOQKOZEEOQ-UHFFFAOYSA-N -1 3 270.292 3.116 20 30 CGEDHM CCc1cccc(NC(=O)[N-]c2onc(C)c2C#N)c1 ZINC001202875014 812192851 /nfs/dbraw/zinc/19/28/51/812192851.db2.gz DWNDSLBVTDXIDO-UHFFFAOYSA-N -1 3 270.292 3.061 20 30 CGEDHM N#Cc1ncc(Nc2cc([O-])cc(F)c2)cc1Cl ZINC001206774620 813433745 /nfs/dbraw/zinc/43/37/45/813433745.db2.gz ORAVGRJBYORJBT-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM C[C@H]1CC(=O)C=C(c2ccc3c(c2)CC/C3=N/[O-])C1 ZINC001242744592 823120010 /nfs/dbraw/zinc/12/00/10/823120010.db2.gz MFGZRHHNKUHJEI-ILIMUTSYSA-N -1 3 255.317 3.194 20 30 CGEDHM CC(=O)c1ccc(Nc2cc([O-])ccc2F)c(C#N)c1 ZINC001210801652 814633604 /nfs/dbraw/zinc/63/36/04/814633604.db2.gz XDHZHJIBKLZJLQ-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM COc1cc(C#N)cc(Nc2cc(C)c(F)c([O-])c2)c1 ZINC001216083150 815686746 /nfs/dbraw/zinc/68/67/46/815686746.db2.gz OBLHXRHWNXXMEC-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM [O-]/N=C(/c1ccccc1)[C@H](OCCCO)c1ccccc1 ZINC001217840546 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CCCCN([O-])C(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001161832480 931987202 /nfs/dbraw/zinc/98/72/02/931987202.db2.gz NTALKVOLUMYGCM-LBPRGKRZSA-N -1 3 296.798 3.184 20 30 CGEDHM CCCCN([O-])C(=O)Cc1cccc2ccc(OC)cc21 ZINC001161832998 931987228 /nfs/dbraw/zinc/98/72/28/931987228.db2.gz WTTJPRZVVGFGNO-UHFFFAOYSA-N -1 3 287.359 3.409 20 30 CGEDHM C#C[C@@H](CCC)Oc1cccc([O-])c1Br ZINC001229144013 932105027 /nfs/dbraw/zinc/10/50/27/932105027.db2.gz ZMKSXPQRLCDOCH-VIFPVBQESA-N -1 3 269.138 3.335 20 30 CGEDHM C#CC[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096854 932094213 /nfs/dbraw/zinc/09/42/13/932094213.db2.gz KTDHZJKAMISNGU-VIFPVBQESA-N -1 3 285.137 3.041 20 30 CGEDHM C[C@@H](Oc1cccc([O-])c1Br)[C@H](C)S ZINC001229142834 932105052 /nfs/dbraw/zinc/10/50/52/932105052.db2.gz RFUQZXKUNZCMPR-RQJHMYQMSA-N -1 3 277.183 3.240 20 30 CGEDHM C#C[C@@H]1CCC[C@H]1Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229351546 932137647 /nfs/dbraw/zinc/13/76/47/932137647.db2.gz BPFZLLDWDHVFOL-NXEZZACHSA-N -1 3 290.413 3.469 20 30 CGEDHM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N([O-])Cc1ccccc1Cl ZINC001306893948 932762766 /nfs/dbraw/zinc/76/27/66/932762766.db2.gz CTJYSKFQLZJBSN-RJTWHSRJSA-N -1 3 291.778 3.350 20 30 CGEDHM CCCCO[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001306896315 932891500 /nfs/dbraw/zinc/89/15/00/932891500.db2.gz ROODOCZVGDOYQI-OAHLLOKOSA-N -1 3 293.407 3.432 20 30 CGEDHM CCCCN([O-])C(=O)CCCc1ccc(F)cc1 ZINC001306897569 932893546 /nfs/dbraw/zinc/89/35/46/932893546.db2.gz SNHQFIVHMDGGED-UHFFFAOYSA-N -1 3 253.317 3.166 20 30 CGEDHM Cc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCCCC1 ZINC001319829666 933940874 /nfs/dbraw/zinc/94/08/74/933940874.db2.gz BDDPMBDLMBZVCI-UHFFFAOYSA-N -1 3 292.329 3.430 20 30 CGEDHM Cc1cc2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cn2c1 ZINC001472621984 937778627 /nfs/dbraw/zinc/77/86/27/937778627.db2.gz FHDNIENHFRHUSA-UHFFFAOYSA-N -1 3 298.317 3.418 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cccnc2N(C)C)ccc1[O-] ZINC001328936734 935175889 /nfs/dbraw/zinc/17/58/89/935175889.db2.gz WZXZUCCGOWYZRU-TWGQIWQCSA-N -1 3 282.343 3.058 20 30 CGEDHM C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001336759041 936214529 /nfs/dbraw/zinc/21/45/29/936214529.db2.gz KTNXTFXLSPUAAZ-CQSZACIVSA-N -1 3 287.359 3.166 20 30 CGEDHM CCc1ncoc1C(=O)[N-]c1sc(C)c(CC)c1C#N ZINC001337105220 936236959 /nfs/dbraw/zinc/23/69/59/936236959.db2.gz MAVPKVXKQDGIHQ-UHFFFAOYSA-N -1 3 289.360 3.293 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccccc1F)c1cccc(F)n1 ZINC001516710594 938009433 /nfs/dbraw/zinc/00/94/33/938009433.db2.gz NOUKKYJXRFSTGE-IDVQTMNDSA-N -1 3 284.265 3.249 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1C[C@@H]1C1CCOCC1 ZINC001549733950 938016168 /nfs/dbraw/zinc/01/61/68/938016168.db2.gz CIGNWTZESSKBJP-UROMVJDCSA-N -1 3 279.767 3.280 20 30 CGEDHM CCc1cc(C#N)ccc1OC(=O)c1cccc(F)c1[O-] ZINC001524649454 938044441 /nfs/dbraw/zinc/04/44/41/938044441.db2.gz KAPRRKKYYSJHTP-UHFFFAOYSA-N -1 3 285.274 3.185 20 30 CGEDHM Cc1nscc1C(=O)N([O-])Cc1ccccc1Cl ZINC001559033758 938219128 /nfs/dbraw/zinc/21/91/28/938219128.db2.gz WHOKCKWQQINRBU-UHFFFAOYSA-N -1 3 282.752 3.137 20 30 CGEDHM O=C(c1cncc(F)c1)N([O-])Cc1cccc2ccccc21 ZINC001559036309 938219208 /nfs/dbraw/zinc/21/92/08/938219208.db2.gz CKSDBUUNYPRLHO-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM C=CCCCCCCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573334482 962242330 /nfs/dbraw/zinc/24/23/30/962242330.db2.gz DMRSWCHBKORFBX-UHFFFAOYSA-N -1 3 286.383 3.119 20 30 CGEDHM C=CCCCCCCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573334482 962242323 /nfs/dbraw/zinc/24/23/23/962242323.db2.gz DMRSWCHBKORFBX-UHFFFAOYSA-N -1 3 286.383 3.119 20 30 CGEDHM C=C(C)CCSCc1ccc(-c2nnn[n-]2)cc1F ZINC001588425089 963266891 /nfs/dbraw/zinc/26/68/91/963266891.db2.gz VVZZZQNEURRGBM-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=C(C)CCSCc1ccc(-c2nn[n-]n2)cc1F ZINC001588425089 963266902 /nfs/dbraw/zinc/26/69/02/963266902.db2.gz VVZZZQNEURRGBM-UHFFFAOYSA-N -1 3 278.356 3.205 20 30 CGEDHM C=CCCCSc1c(C)cccc1-c1nnn[n-]1 ZINC001588602961 963293149 /nfs/dbraw/zinc/29/31/49/963293149.db2.gz DCMLZACXPZWEOC-UHFFFAOYSA-N -1 3 260.366 3.233 20 30 CGEDHM C=CCCCSc1c(C)cccc1-c1nn[n-]n1 ZINC001588602961 963293158 /nfs/dbraw/zinc/29/31/58/963293158.db2.gz DCMLZACXPZWEOC-UHFFFAOYSA-N -1 3 260.366 3.233 20 30 CGEDHM C=CCCCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001588802319 963319931 /nfs/dbraw/zinc/31/99/31/963319931.db2.gz HEZVIYUUDUTIGC-NSHDSACASA-N -1 3 263.337 3.097 20 30 CGEDHM CC#CCCNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001588927426 963331071 /nfs/dbraw/zinc/33/10/71/963331071.db2.gz XMMYLUQKGDXZRL-UHFFFAOYSA-N -1 3 283.327 3.148 20 30 CGEDHM C=CCCC[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000398152920 973075816 /nfs/dbraw/zinc/07/58/16/973075816.db2.gz FDYPLEPKARKAIW-NXEZZACHSA-N -1 3 268.382 3.237 20 30 CGEDHM C[C@H](CN(C)Cc1cccc(C(=O)[O-])c1C#N)C(C)(C)C ZINC001592584567 978503537 /nfs/dbraw/zinc/50/35/37/978503537.db2.gz JQDJYZDQQCMYNZ-GFCCVEGCSA-N -1 3 288.391 3.370 20 30 CGEDHM C=CCCC(C)(C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000622184502 349642942 /nfs/dbraw/zinc/64/29/42/349642942.db2.gz BALMMSTVGQVSOC-UHFFFAOYSA-N -1 3 284.359 3.003 20 30 CGEDHM CCCCCCCCNC(=O)c1ccc([O-])c(OC)c1 ZINC000002032981 344857020 /nfs/dbraw/zinc/85/70/20/344857020.db2.gz CMUQEPIYTHQKDV-UHFFFAOYSA-N -1 3 279.380 3.491 20 30 CGEDHM CCc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041574113 344971909 /nfs/dbraw/zinc/97/19/09/344971909.db2.gz GAKMPDHWFQSLOW-HNNXBMFYSA-N -1 3 279.343 3.146 20 30 CGEDHM CCn1nc(C)c(/C=C/C(=O)c2ccc([O-])c(C)c2)c1C ZINC000077166012 345558373 /nfs/dbraw/zinc/55/83/73/345558373.db2.gz HTSQTLFQQNGTOU-VQHVLOKHSA-N -1 3 284.359 3.430 20 30 CGEDHM Cc1ccc([O-])c(CN=Nc2ncc(Cl)cc2Cl)n1 ZINC000728779638 571820761 /nfs/dbraw/zinc/82/07/61/571820761.db2.gz PLADMKPQHXQOIR-UHFFFAOYSA-N -1 3 297.145 3.243 20 30 CGEDHM N#Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000133657738 346078508 /nfs/dbraw/zinc/07/85/08/346078508.db2.gz AVAPGDDJTDRGNB-UHFFFAOYSA-N -1 3 290.681 3.309 20 30 CGEDHM CC(C)(CN=c1[n-]c(C#N)c(Cl)s1)CC(F)(F)F ZINC000596586776 347483118 /nfs/dbraw/zinc/48/31/18/347483118.db2.gz YAYLVDHRWPUYBU-UHFFFAOYSA-N -1 3 297.733 3.481 20 30 CGEDHM C[C@@H](CC#N)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000597624361 347585162 /nfs/dbraw/zinc/58/51/62/347585162.db2.gz HSTLDLSOVHRTHG-JTQLQIEISA-N -1 3 260.337 3.178 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000610366515 348379824 /nfs/dbraw/zinc/37/98/24/348379824.db2.gz HMGQODVWYPESKR-GFCCVEGCSA-N -1 3 294.354 3.317 20 30 CGEDHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000352021283 219292724 /nfs/dbraw/zinc/29/27/24/219292724.db2.gz OEBGCFXSEJXYIP-QHHAFSJGSA-N -1 3 293.326 3.110 20 30 CGEDHM N#Cc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000352025293 219292259 /nfs/dbraw/zinc/29/22/59/219292259.db2.gz DYUXYXVBVIAGCD-DAXSKMNVSA-N -1 3 263.300 3.102 20 30 CGEDHM C=C1CC(C)(C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000632139476 351172158 /nfs/dbraw/zinc/17/21/58/351172158.db2.gz QXMMSDUBCFICAF-UHFFFAOYSA-N -1 3 296.164 3.450 20 30 CGEDHM C=CCCCS(=O)(=O)[N-]c1c(Cl)cccc1OC ZINC000634663852 351556394 /nfs/dbraw/zinc/55/63/94/351556394.db2.gz BTZISEZSNIWZTL-UHFFFAOYSA-N -1 3 289.784 3.057 20 30 CGEDHM C[C@H](C(=O)[O-])[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000426747796 236310308 /nfs/dbraw/zinc/31/03/08/236310308.db2.gz RVJBJCCWSLVSLX-SUMWQHHRSA-N -1 3 294.354 3.110 20 30 CGEDHM N#CC(=C([O-])c1ccoc1)c1ccc(C(F)(F)F)cn1 ZINC000041553893 369190515 /nfs/dbraw/zinc/19/05/15/369190515.db2.gz KIUKYFIOSCWIPD-SNVBAGLBSA-N -1 3 280.205 3.183 20 30 CGEDHM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1ccccn1 ZINC000046439737 369293621 /nfs/dbraw/zinc/29/36/21/369293621.db2.gz OBDOWEKORKXEIS-LBPRGKRZSA-N -1 3 288.253 3.173 20 30 CGEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1ccccn1 ZINC000046439657 369294292 /nfs/dbraw/zinc/29/42/92/369294292.db2.gz SGVYKSBMNRFDRH-LBPRGKRZSA-N -1 3 256.692 3.225 20 30 CGEDHM Cc1ccc([O-])c(CN[C@@H](CCC#N)c2ccccc2)n1 ZINC000130386829 371030069 /nfs/dbraw/zinc/03/00/69/371030069.db2.gz XUUHZOTXOGGFKG-HNNXBMFYSA-N -1 3 281.359 3.230 20 30 CGEDHM C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc([O-])c1Cl ZINC000293189793 372321065 /nfs/dbraw/zinc/32/10/65/372321065.db2.gz HYIQHXDNWZJMMF-IUODEOHRSA-N -1 3 281.783 3.116 20 30 CGEDHM Cc1ccc(C(=O)NCC(C)(C)CCC#N)c([O-])c1C ZINC000436736400 372840803 /nfs/dbraw/zinc/84/08/03/372840803.db2.gz GOTWRBMCPNOGFU-UHFFFAOYSA-N -1 3 274.364 3.069 20 30 CGEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(C)cc1[O-] ZINC000436986678 372842529 /nfs/dbraw/zinc/84/25/29/372842529.db2.gz RNWPPJPVSPRBAV-UHFFFAOYSA-N -1 3 285.343 3.165 20 30 CGEDHM C#CCCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000295851683 372935940 /nfs/dbraw/zinc/93/59/40/372935940.db2.gz BQIVWPGTLIQQDF-UHFFFAOYSA-N -1 3 296.164 3.205 20 30 CGEDHM Cc1cc(Br)cc(CN(C)[C@H](C)CC#N)c1[O-] ZINC000180056660 373958491 /nfs/dbraw/zinc/95/84/91/373958491.db2.gz UGOHJUZCDDFNKP-SNVBAGLBSA-N -1 3 297.196 3.197 20 30 CGEDHM Cc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973613 541901604 /nfs/dbraw/zinc/90/16/04/541901604.db2.gz DESIHPSDBPNXGS-UHFFFAOYSA-N -1 3 298.302 3.040 20 30 CGEDHM Cc1ccccc1OCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973613 541901607 /nfs/dbraw/zinc/90/16/07/541901607.db2.gz DESIHPSDBPNXGS-UHFFFAOYSA-N -1 3 298.302 3.040 20 30 CGEDHM Cc1ccccc1OCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973613 541901610 /nfs/dbraw/zinc/90/16/10/541901610.db2.gz DESIHPSDBPNXGS-UHFFFAOYSA-N -1 3 298.302 3.040 20 30 CGEDHM Cc1cnc([C@@H](C)C/N=C/c2ccccc2[O-])s1 ZINC000182171358 374229918 /nfs/dbraw/zinc/22/99/18/374229918.db2.gz KJUFHAVADKHDNK-CNOAHFENSA-N -1 3 260.362 3.380 20 30 CGEDHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000328639628 374372608 /nfs/dbraw/zinc/37/26/08/374372608.db2.gz CDKAWTBGNFRYKH-SKDRFNHKSA-N -1 3 290.342 3.370 20 30 CGEDHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000328639628 374372614 /nfs/dbraw/zinc/37/26/14/374372614.db2.gz CDKAWTBGNFRYKH-SKDRFNHKSA-N -1 3 290.342 3.370 20 30 CGEDHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328639628 374372622 /nfs/dbraw/zinc/37/26/22/374372622.db2.gz CDKAWTBGNFRYKH-SKDRFNHKSA-N -1 3 290.342 3.370 20 30 CGEDHM Cc1cnc([C@@H](NC(=O)c2csc(=O)[n-]2)C2CC2)s1 ZINC000329963188 374445692 /nfs/dbraw/zinc/44/56/92/374445692.db2.gz TWQUFXQTRQCWCG-VIFPVBQESA-N -1 3 295.389 3.070 20 30 CGEDHM C[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3nn[n-]c32)[C@H]1C ZINC000330334709 374452638 /nfs/dbraw/zinc/45/26/38/374452638.db2.gz QWJIKSNTHRPCNX-PTRXPTGYSA-N -1 3 290.342 3.226 20 30 CGEDHM C[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3[n-]nnc32)[C@H]1C ZINC000330334709 374452645 /nfs/dbraw/zinc/45/26/45/374452645.db2.gz QWJIKSNTHRPCNX-PTRXPTGYSA-N -1 3 290.342 3.226 20 30 CGEDHM C[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)[C@H]1C ZINC000330334709 374452650 /nfs/dbraw/zinc/45/26/50/374452650.db2.gz QWJIKSNTHRPCNX-PTRXPTGYSA-N -1 3 290.342 3.226 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000332571636 374581332 /nfs/dbraw/zinc/58/13/32/374581332.db2.gz DOXWWKXGZRVODC-ZDUSSCGKSA-N -1 3 299.374 3.142 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000332571636 374581341 /nfs/dbraw/zinc/58/13/41/374581341.db2.gz DOXWWKXGZRVODC-ZDUSSCGKSA-N -1 3 299.374 3.142 20 30 CGEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000472693265 375031307 /nfs/dbraw/zinc/03/13/07/375031307.db2.gz PRAZWUHIPDBJKE-UHFFFAOYSA-N -1 3 291.775 3.114 20 30 CGEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000335707578 375363644 /nfs/dbraw/zinc/36/36/44/375363644.db2.gz ANRBWPAXEZDZHQ-UHFFFAOYSA-N -1 3 287.344 3.047 20 30 CGEDHM Cc1nc(C)c(C(=O)[N-]c2sc(C)c(C)c2C#N)o1 ZINC000336583089 375850128 /nfs/dbraw/zinc/85/01/28/375850128.db2.gz ZUQMKFZVXJUYTG-UHFFFAOYSA-N -1 3 275.333 3.094 20 30 CGEDHM Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)c([O-])c1 ZINC000540848015 376399342 /nfs/dbraw/zinc/39/93/42/376399342.db2.gz QKUARLJKSNLIQF-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM N#Cc1ccnc(Sc2ccc([O-])cc2)c1Cl ZINC000236600808 376670510 /nfs/dbraw/zinc/67/05/10/376670510.db2.gz YDBHJOQWUACBCW-UHFFFAOYSA-N -1 3 262.721 3.463 20 30 CGEDHM N#CC(=C([O-])c1ccc(C2CCC2)cc1)c1ccncn1 ZINC000562316872 377295075 /nfs/dbraw/zinc/29/50/75/377295075.db2.gz IMYHHPXTHNHVQV-OAHLLOKOSA-N -1 3 277.327 3.234 20 30 CGEDHM C=CCn1c(SCCC(C)(C)CC)n[n-]c1=O ZINC000348132287 378805150 /nfs/dbraw/zinc/80/51/50/378805150.db2.gz JRSRHDYKYGTAHE-UHFFFAOYSA-N -1 3 255.387 3.088 20 30 CGEDHM N#Cc1nnc2ccccc2c1Sc1cccc([O-])c1 ZINC000347873996 218385431 /nfs/dbraw/zinc/38/54/31/218385431.db2.gz GILSHOJCZGLNRD-UHFFFAOYSA-N -1 3 279.324 3.358 20 30 CGEDHM C=CCN(CCc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411187932 380134686 /nfs/dbraw/zinc/13/46/86/380134686.db2.gz BRUWJLIEXITGOJ-HNNXBMFYSA-N -1 3 297.402 3.282 20 30 CGEDHM C=C(CC)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000358662847 381322400 /nfs/dbraw/zinc/32/24/00/381322400.db2.gz HZPSXFYVOVGAMH-UHFFFAOYSA-N -1 3 280.393 3.122 20 30 CGEDHM N#CC(=C([O-])c1cccnc1)c1nccc2ccccc21 ZINC000361528595 381786804 /nfs/dbraw/zinc/78/68/04/381786804.db2.gz ASNUMBLGIWIIRL-HNNXBMFYSA-N -1 3 273.295 3.120 20 30 CGEDHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)c1cccc(C#N)c1 ZINC000335340741 208228626 /nfs/dbraw/zinc/22/86/26/208228626.db2.gz LICHQLGRKOEMSB-SNVBAGLBSA-N -1 3 284.290 3.145 20 30 CGEDHM C=CCCC[C@@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652470260 418972443 /nfs/dbraw/zinc/97/24/43/418972443.db2.gz RJDYYQYFLYSJLL-CJNGLKHVSA-N -1 3 273.376 3.415 20 30 CGEDHM CC1(C)CCCN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1C#N ZINC000290396424 263116400 /nfs/dbraw/zinc/11/64/00/263116400.db2.gz JZEGVAWONNMVID-CYBMUJFWSA-N -1 3 292.766 3.200 20 30 CGEDHM CCCOc1ccc(/C=N/C[C@@H](CC)OC)c([O-])c1 ZINC000290430230 263116556 /nfs/dbraw/zinc/11/65/56/263116556.db2.gz BPORLPPEMTWPQH-BVTUPMQUSA-N -1 3 265.353 3.025 20 30 CGEDHM C=CC(C)(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000452775432 263146559 /nfs/dbraw/zinc/14/65/59/263146559.db2.gz OHTYPGOIZRVPBG-UHFFFAOYSA-N -1 3 279.355 3.182 20 30 CGEDHM N#CC[C@@H]1CC[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000295123220 263172847 /nfs/dbraw/zinc/17/28/47/263172847.db2.gz WZFXQMIZFKVVQB-JQWIXIFHSA-N -1 3 264.756 3.218 20 30 CGEDHM CC[C@H](CC#N)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331233787 264173379 /nfs/dbraw/zinc/17/33/79/264173379.db2.gz KECJZERYHDZSTQ-LLVKDONJSA-N -1 3 288.347 3.103 20 30 CGEDHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2OC(F)F)c([O-])c1 ZINC000331232997 264173607 /nfs/dbraw/zinc/17/36/07/264173607.db2.gz JNKXHLSPUMZNFP-ZYHUDNBSSA-N -1 3 285.290 3.166 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(C)ccc1OC(F)F ZINC000417617230 264524153 /nfs/dbraw/zinc/52/41/53/264524153.db2.gz ZYNHDOCQNXZOCM-GFCCVEGCSA-N -1 3 299.317 3.105 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 ZINC000357166344 266258587 /nfs/dbraw/zinc/25/85/87/266258587.db2.gz JOCYEFQEHDUTLK-CQSZACIVSA-N -1 3 295.342 3.122 20 30 CGEDHM Cn1cc(C#N)cc1C(=O)Nc1ccc([O-])c2ccccc12 ZINC000530721470 268125719 /nfs/dbraw/zinc/12/57/19/268125719.db2.gz ZOPSLDZMQUCGOE-UHFFFAOYSA-N -1 3 291.310 3.008 20 30 CGEDHM CC1(C)CCC(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000329931537 278192450 /nfs/dbraw/zinc/19/24/50/278192450.db2.gz BIUSRVSFJOIRGN-UHFFFAOYSA-N -1 3 254.355 3.122 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/CCOCC1CC1 ZINC000264551740 328160246 /nfs/dbraw/zinc/16/02/46/328160246.db2.gz OPNHAIVOAQULKR-WOJGMQOQSA-N -1 3 269.344 3.391 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190955357 329403464 /nfs/dbraw/zinc/40/34/64/329403464.db2.gz OIRBJVUKXQWZEN-AWEZNQCLSA-N -1 3 287.322 3.428 20 30 CGEDHM C=C(C)[C@H](NCc1ncccc1[O-])c1ccc(F)c(F)c1 ZINC000583898705 329530628 /nfs/dbraw/zinc/53/06/28/329530628.db2.gz IDWQWOCKKBGFLX-INIZCTEOSA-N -1 3 290.313 3.472 20 30 CGEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccon1 ZINC000066856425 329850040 /nfs/dbraw/zinc/85/00/40/329850040.db2.gz XBZKKKNFKQJIKH-JTQLQIEISA-N -1 3 287.344 3.321 20 30 CGEDHM C=CCN(Cc1ccccc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459302448 331275393 /nfs/dbraw/zinc/27/53/93/331275393.db2.gz WSDIZLOGIZXXBA-UHFFFAOYSA-N -1 3 295.386 3.248 20 30 CGEDHM C#C[C@H](CC)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000491717890 332307039 /nfs/dbraw/zinc/30/70/39/332307039.db2.gz YHLMETVPAXGHAE-OAHLLOKOSA-N -1 3 281.355 3.006 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2cccc3c2CCC3)n1 ZINC000193595047 333253897 /nfs/dbraw/zinc/25/38/97/333253897.db2.gz YHLWNDCWEOURSQ-CQSZACIVSA-N -1 3 282.368 3.430 20 30 CGEDHM Cc1ccc(NC(=O)c2cccc(C#N)c2C)c([O-])c1 ZINC000338140034 518189411 /nfs/dbraw/zinc/18/94/11/518189411.db2.gz QHLKPGVHUDXZPH-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM CC(N=Nc1cnc2ccccc2n1)c1ccc([O-])c(F)c1 ZINC000728429692 571805039 /nfs/dbraw/zinc/80/50/39/571805039.db2.gz MOGDMBUOMAXTJQ-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM O=C1CCCc2cc(N=Cc3cccc([O-])c3O)ccc2N1 ZINC000728438301 571806396 /nfs/dbraw/zinc/80/63/96/571806396.db2.gz TTWMGFHAJBVUNN-UHFFFAOYSA-N -1 3 296.326 3.123 20 30 CGEDHM CCOc1ccc(/C=N/Cc2scnc2C)c([O-])c1 ZINC000729150752 571879071 /nfs/dbraw/zinc/87/90/71/571879071.db2.gz XURJQCFDVNTJQQ-VIZOYTHASA-N -1 3 276.361 3.175 20 30 CGEDHM Cc1c(C(=O)/C=C/c2cccc([O-])c2)c(C#N)c2n1CCC2 ZINC000730084789 571948231 /nfs/dbraw/zinc/94/82/31/571948231.db2.gz HMXRPGJCOHFMDQ-BQYQJAHWSA-N -1 3 292.338 3.216 20 30 CGEDHM CC(=NNc1ccnc2ccccc21)c1ccc([O-])c(F)c1 ZINC000730147647 571951257 /nfs/dbraw/zinc/95/12/57/571951257.db2.gz HFUDNGKYFULLLG-UHFFFAOYSA-N -1 3 295.317 3.338 20 30 CGEDHM N#CCN(Cc1c([O-])ccc2ccncc21)C1CCCC1 ZINC000738253670 572368403 /nfs/dbraw/zinc/36/84/03/572368403.db2.gz CPZJUQLQUBGOSS-UHFFFAOYSA-N -1 3 281.359 3.209 20 30 CGEDHM C=CCCCOC(=O)c1cccc(Br)c1[O-] ZINC000735534908 572728708 /nfs/dbraw/zinc/72/87/08/572728708.db2.gz VSOYDBSIVWQWRH-UHFFFAOYSA-N -1 3 285.137 3.278 20 30 CGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000736662469 572802859 /nfs/dbraw/zinc/80/28/59/572802859.db2.gz PDNKJPBCXONPKS-MLGOLLRUSA-N -1 3 280.327 3.035 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\Cc2c(F)cccc2Cl)c1O ZINC000745624920 572827691 /nfs/dbraw/zinc/82/76/91/572827691.db2.gz PJEWVMCUFKCIFB-FMQZQXMHSA-N -1 3 295.697 3.215 20 30 CGEDHM CO[C@@H](C/N=C\c1cc(Cl)ccc1[O-])C(C)C ZINC000745976616 572845655 /nfs/dbraw/zinc/84/56/55/572845655.db2.gz LCQLAGSCDFFUDI-XKBFBRDOSA-N -1 3 255.745 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269.348 3.016 20 30 CGEDHM C#CCCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000759094325 626873821 /nfs/dbraw/zinc/87/38/21/626873821.db2.gz OLYRVSFOJASGSG-UHFFFAOYSA-N -1 3 259.349 3.049 20 30 CGEDHM Cc1ccc(C(=O)Nc2cccc(OCC#N)c2)c([O-])c1C ZINC000769711544 627573694 /nfs/dbraw/zinc/57/36/94/627573694.db2.gz QZNPKORKDKUCTE-UHFFFAOYSA-N -1 3 296.326 3.164 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1ccc2ccccc2c1 ZINC000771652357 627725653 /nfs/dbraw/zinc/72/56/53/627725653.db2.gz JZCVIYYPXYORKA-UHFFFAOYSA-N -1 3 255.317 3.006 20 30 CGEDHM N#Cc1ccc(/C=C2\Cc3c(cccc3[O-])C2=O)c(F)c1 ZINC000772796681 627824078 /nfs/dbraw/zinc/82/40/78/627824078.db2.gz JZXNFYYAFQPWFY-KPKJPENVSA-N -1 3 279.270 3.225 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/CC[C@H]1CCOC1 ZINC000783685330 628739725 /nfs/dbraw/zinc/73/97/25/628739725.db2.gz MMJVULRSBZQFGE-CYANDVJASA-N -1 3 298.180 3.000 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCOC(F)(F)F ZINC000788674784 629072070 /nfs/dbraw/zinc/07/20/70/629072070.db2.gz PEUVCONGXOVHOM-GIDUJCDVSA-N -1 3 267.634 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20 30 CGEDHM CC[C@H](NCc1ncccc1F)c1cccc(C#N)c1[O-] ZINC000925599306 638541826 /nfs/dbraw/zinc/54/18/26/638541826.db2.gz RMQAHOZWPDTDCK-AWEZNQCLSA-N -1 3 285.322 3.039 20 30 CGEDHM C=C(C)CO[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC000862133145 639649916 /nfs/dbraw/zinc/64/99/16/639649916.db2.gz UELOGTMHFHNHMT-UHFFFAOYSA-N -1 3 251.370 3.217 20 30 CGEDHM CCCCCCCC[C@@H](O)CNc1ncc(F)cc1[O-] ZINC001252124016 806010449 /nfs/dbraw/zinc/01/04/49/806010449.db2.gz NYTWIDWNWOMWQM-CYBMUJFWSA-N -1 3 284.375 3.450 20 30 CGEDHM C=C[C@@](C)(O)CNc1cc(Cl)c([O-])cc1Cl ZINC001252564367 806067972 /nfs/dbraw/zinc/06/79/72/806067972.db2.gz FZCJBEQSKJLDIN-LLVKDONJSA-N -1 3 262.136 3.048 20 30 CGEDHM C=CCCCNC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001159262846 806069235 /nfs/dbraw/zinc/06/92/35/806069235.db2.gz XNUDFIIEWSCTGI-UHFFFAOYSA-N -1 3 279.743 3.024 20 30 CGEDHM CCCCCCN([O-])C(=O)c1c(F)cc(C#N)cc1F ZINC001161827157 806465641 /nfs/dbraw/zinc/46/56/41/806465641.db2.gz WCOLERVMVNEJCW-UHFFFAOYSA-N -1 3 282.290 3.248 20 30 CGEDHM CCCCCCN([O-])C(=O)C1(CCOCC)CCC1 ZINC001161826610 806466022 /nfs/dbraw/zinc/46/60/22/806466022.db2.gz HNZBMKINFOWGDE-UHFFFAOYSA-N -1 3 271.401 3.381 20 30 CGEDHM COc1c(F)cc(Nc2cc(C#N)ccc2[O-])cc1F ZINC001211682738 814932060 /nfs/dbraw/zinc/93/20/60/814932060.db2.gz RWTJZHBRRMFUDU-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=NNCc1ccccc1 ZINC000714560490 800125712 /nfs/dbraw/zinc/12/57/12/800125712.db2.gz MEQQUMDYBWOEDJ-UHFFFAOYSA-N -1 3 260.724 3.169 20 30 CGEDHM Cc1nn(C)c2cc(-c3cc(/C=N/[O-])ccc3F)ccc12 ZINC001244233101 803253652 /nfs/dbraw/zinc/25/36/52/803253652.db2.gz YVEOQQWNVZSCOS-GIJQJNRQSA-N -1 3 283.306 3.496 20 30 CGEDHM N#Cc1ccc(Cl)nc1Nc1cccc(F)c1[O-] ZINC001210196120 814332844 /nfs/dbraw/zinc/33/28/44/814332844.db2.gz RIKOHQANPCRGMO-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC001135745032 803612110 /nfs/dbraw/zinc/61/21/10/803612110.db2.gz BDZUVDXNFNXRKT-MDZDMXLPSA-N -1 3 295.338 3.387 20 30 CGEDHM 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CGEDHM Cc1ccc(C#N)c(Nc2cccc(C(=O)N(C)C)c2[O-])c1 ZINC001249901670 805290985 /nfs/dbraw/zinc/29/09/85/805290985.db2.gz BJSIKTWXIWMFHN-UHFFFAOYSA-N -1 3 295.342 3.018 20 30 CGEDHM C=CCCCNC(=O)c1c([O-])ccc2ccccc21 ZINC001153510506 805400563 /nfs/dbraw/zinc/40/05/63/805400563.db2.gz QSCMQJAAHXCKTK-UHFFFAOYSA-N -1 3 255.317 3.241 20 30 CGEDHM CCOC(=O)c1ccc(Cc2ccc([O-])c(C#N)c2)cc1 ZINC001250326615 805570309 /nfs/dbraw/zinc/57/03/09/805570309.db2.gz MAHACJVUNNYETI-UHFFFAOYSA-N -1 3 281.311 3.031 20 30 CGEDHM COc1cc(F)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001175009572 809237453 /nfs/dbraw/zinc/23/74/53/809237453.db2.gz SDGVQTVPHCIWOL-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM C#CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC001176373712 809682238 /nfs/dbraw/zinc/68/22/38/809682238.db2.gz XMWZPYVYSBZIFE-UHFFFAOYSA-N -1 3 279.767 3.092 20 30 CGEDHM Cc1cnc(C#N)c(Nc2cc([O-])cc(Cl)c2)c1 ZINC001176621604 809732957 /nfs/dbraw/zinc/73/29/57/809732957.db2.gz GGHRLLDIBGZCER-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM CCOc1ccc(C#N)cc1NCc1ccc([O-])c(F)c1 ZINC001180739510 810019674 /nfs/dbraw/zinc/01/96/74/810019674.db2.gz CBOQTVFWIAHKDT-UHFFFAOYSA-N -1 3 286.306 3.414 20 30 CGEDHM CCC1(CC)C[C@@H]1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001181888458 810080833 /nfs/dbraw/zinc/08/08/33/810080833.db2.gz WFAILTQJAVTGDM-GFCCVEGCSA-N -1 3 258.321 3.029 20 30 CGEDHM N#Cc1ccccc1C1(C(=O)Nc2ccc(F)c([O-])c2)CC1 ZINC001183295060 810144257 /nfs/dbraw/zinc/14/42/57/810144257.db2.gz KQFJSFXLNQTZKY-UHFFFAOYSA-N -1 3 296.301 3.073 20 30 CGEDHM C=CCCCN(CC)Cc1c(F)ccc([O-])c1F ZINC001184188957 810181427 /nfs/dbraw/zinc/18/14/27/810181427.db2.gz QOBLOEDVCYETCM-UHFFFAOYSA-N -1 3 255.308 3.459 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc3cc[nH]c(=O)c3c2)c1 ZINC001213961287 815351756 /nfs/dbraw/zinc/35/17/56/815351756.db2.gz WAHKGQARWAJHAQ-UHFFFAOYSA-N -1 3 277.283 3.261 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cccc3[nH]c(=O)ccc23)c1 ZINC001213976626 815353304 /nfs/dbraw/zinc/35/33/04/815353304.db2.gz KGADRDNUWJOABQ-UHFFFAOYSA-N -1 3 277.283 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20 30 CGEDHM N#Cc1c(F)cc(F)cc1Nc1cccc(F)c1[O-] ZINC001210203456 814338520 /nfs/dbraw/zinc/33/85/20/814338520.db2.gz FJVZLIYDTWGSPI-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1cccc([O-])c1Nc1ccc(F)cc1C#N ZINC001210555641 814523339 /nfs/dbraw/zinc/52/33/39/814523339.db2.gz GTDTWQHSRYVXHG-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM N#Cc1cc(F)cnc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242780666 823131053 /nfs/dbraw/zinc/13/10/53/823131053.db2.gz WHLVOLDFVXDXGO-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM N#Cc1ncccc1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210823054 814644211 /nfs/dbraw/zinc/64/42/11/814644211.db2.gz SZUSUBFEOYPBLC-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM CSc1ncc(Cl)cc1[N-]c1oncc1C#N ZINC001215915143 815628994 /nfs/dbraw/zinc/62/89/94/815628994.db2.gz LHTNKFBVZYVQCL-UHFFFAOYSA-N -1 3 266.713 3.060 20 30 CGEDHM N#Cc1cc2c(ccn2-c2c([O-])cccc2Cl)c(N)c1 ZINC001215987658 815652290 /nfs/dbraw/zinc/65/22/90/815652290.db2.gz ZRKLFYLAXOMIJB-UHFFFAOYSA-N -1 3 283.718 3.443 20 30 CGEDHM [O-]c1ccccc1/N=C/c1ccccc1OC1CC(O)C1 ZINC001218260586 816144897 /nfs/dbraw/zinc/14/48/97/816144897.db2.gz RFIGOJDULAOHBM-WOJGMQOQSA-N -1 3 283.327 3.045 20 30 CGEDHM COCc1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001242957532 823188809 /nfs/dbraw/zinc/18/88/09/823188809.db2.gz WMBVFHCZPOMFPT-VLGSPTGOSA-N -1 3 268.316 3.020 20 30 CGEDHM N#Cc1ccnc(-c2cc([O-])cc(OC(F)(F)F)c2)c1 ZINC001242986933 823199280 /nfs/dbraw/zinc/19/92/80/823199280.db2.gz WMTKYICKRPVRFN-UHFFFAOYSA-N -1 3 280.205 3.224 20 30 CGEDHM COC(=O)c1cc(C)cc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001243025307 823216562 /nfs/dbraw/zinc/21/65/62/823216562.db2.gz QLUFBBJKSUUMIT-GIJQJNRQSA-N -1 3 287.290 3.396 20 30 CGEDHM C[C@H](Oc1ccc2c([O-])coc2c1)c1ccccc1C#N ZINC001225340493 817017387 /nfs/dbraw/zinc/01/73/87/817017387.db2.gz OMZSJDSPJZTPQO-NSHDSACASA-N -1 3 279.295 3.273 20 30 CGEDHM CC(C)[C@H](Oc1cccc(/C=N/[O-])c1)C(=O)OC(C)(C)C ZINC001226114645 817276398 /nfs/dbraw/zinc/27/63/98/817276398.db2.gz NMWMQSFNMYRCCZ-FBJMNJBLSA-N -1 3 293.363 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ZINC001242220761 822916696 /nfs/dbraw/zinc/91/66/96/822916696.db2.gz OSPWAEUVFAJWFH-UHFFFAOYSA-N -1 3 256.280 3.394 20 30 CGEDHM Cc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1CO ZINC001242385618 822977371 /nfs/dbraw/zinc/97/73/71/822977371.db2.gz BYYQTFHOTUDRGR-CAOOACKPSA-N -1 3 259.280 3.102 20 30 CGEDHM COC(=O)/C=C/c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242566367 823036516 /nfs/dbraw/zinc/03/65/16/823036516.db2.gz VVBQFGVFHIXYPV-RUDMXATFSA-N -1 3 279.295 3.117 20 30 CGEDHM C=CCO[N-]C(=O)CCCc1ccc(CC(C)C)cc1 ZINC001449661707 937381211 /nfs/dbraw/zinc/38/12/11/937381211.db2.gz ZMZUSVPTZZWCGS-UHFFFAOYSA-N -1 3 275.392 3.442 20 30 CGEDHM CCCCN([O-])C(=O)C1(Sc2ccccc2)CC1 ZINC001161832229 931987162 /nfs/dbraw/zinc/98/71/62/931987162.db2.gz LPSOLSBSEZYCNO-UHFFFAOYSA-N -1 3 265.378 3.329 20 30 CGEDHM CC#C[C@@H](CC)Oc1cccc([O-])c1Br ZINC001229142268 932102761 /nfs/dbraw/zinc/10/27/61/932102761.db2.gz NMIQPSFFPZPKLF-SECBINFHSA-N -1 3 269.138 3.335 20 30 CGEDHM COC(C)(C)C[C@@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737904 932478081 /nfs/dbraw/zinc/47/80/81/932478081.db2.gz FEJKHVJHORNANW-VFJWTBQQSA-N -1 3 265.353 3.467 20 30 CGEDHM C=C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001231077102 932672296 /nfs/dbraw/zinc/67/22/96/932672296.db2.gz QOZGNTQQXYHMAA-OAHLLOKOSA-N -1 3 278.315 3.173 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@]12CCO[C@H]1CCCC2 ZINC001306896818 932891849 /nfs/dbraw/zinc/89/18/49/932891849.db2.gz NFGVHYSKVPZMIC-DZGCQCFKSA-N -1 3 269.385 3.134 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H](C)Oc1ccc(F)cc1 ZINC001306896710 932893568 /nfs/dbraw/zinc/89/35/68/932893568.db2.gz JQBMKQWQHKXPOE-LBPRGKRZSA-N -1 3 283.343 3.391 20 30 CGEDHM N#Cc1cnc(NCc2c([O-])cccc2F)c(Cl)c1 ZINC001307214859 932930783 /nfs/dbraw/zinc/93/07/83/932930783.db2.gz WJPQLKXEGRQEOH-UHFFFAOYSA-N -1 3 277.686 3.063 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001472620538 937778362 /nfs/dbraw/zinc/77/83/62/937778362.db2.gz GLUZTBCHNLYVIC-ZJUUUORDSA-N -1 3 269.291 3.086 20 30 CGEDHM CCCCN([O-])C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001472621054 937778064 /nfs/dbraw/zinc/77/80/64/937778064.db2.gz FHUNABODBINFPO-UHFFFAOYSA-N -1 3 294.376 3.272 20 30 CGEDHM Cc1nsc([N-]C(=O)c2sccc2Cl)c1C#N ZINC001518996776 938017565 /nfs/dbraw/zinc/01/75/65/938017565.db2.gz PHHZRECJOOZZLM-UHFFFAOYSA-N -1 3 283.765 3.290 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC001559035350 938150726 /nfs/dbraw/zinc/15/07/26/938150726.db2.gz NAHPJQFTCWENSG-OAHLLOKOSA-N -1 3 278.396 3.087 20 30 CGEDHM N#Cc1ccc(CN2CCCC[C@@H]2CC(=O)[O-])c(Cl)c1 ZINC000163517273 959238607 /nfs/dbraw/zinc/23/86/07/959238607.db2.gz WZSUOKQRCOAVPL-CYBMUJFWSA-N -1 3 292.766 3.041 20 30 CGEDHM C=CC[C@H](C)Sc1ccc(C)cc1-c1nnn[n-]1 ZINC001573320129 962241149 /nfs/dbraw/zinc/24/11/49/962241149.db2.gz UPRKIEGUUZRJFU-JTQLQIEISA-N -1 3 260.366 3.232 20 30 CGEDHM C=CC[C@H](C)Sc1ccc(C)cc1-c1nn[n-]n1 ZINC001573320129 962241153 /nfs/dbraw/zinc/24/11/53/962241153.db2.gz UPRKIEGUUZRJFU-JTQLQIEISA-N -1 3 260.366 3.232 20 30 CGEDHM C=CC[C@H]1CCCC[C@@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC001573329004 962248192 /nfs/dbraw/zinc/24/81/92/962248192.db2.gz GFFNQWHSKGQGEX-STQMWFEESA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@H]1CCCC[C@@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC001573329004 962248200 /nfs/dbraw/zinc/24/82/00/962248200.db2.gz GFFNQWHSKGQGEX-STQMWFEESA-N -1 3 298.394 3.117 20 30 CGEDHM N#Cc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001586892673 963149779 /nfs/dbraw/zinc/14/97/79/963149779.db2.gz RBPYREIUUAINJI-UHFFFAOYSA-N -1 3 292.338 3.395 20 30 CGEDHM C=CCCCOc1c(C)cc(Cl)cc1-c1nnn[n-]1 ZINC001588600694 963293913 /nfs/dbraw/zinc/29/39/13/963293913.db2.gz LQBBLOYIOBCXMM-UHFFFAOYSA-N -1 3 278.743 3.174 20 30 CGEDHM C=CCCCOc1c(C)cc(Cl)cc1-c1nn[n-]n1 ZINC001588600694 963293922 /nfs/dbraw/zinc/29/39/22/963293922.db2.gz LQBBLOYIOBCXMM-UHFFFAOYSA-N -1 3 278.743 3.174 20 30 CGEDHM C[C@H](NCc1ccc(C(=O)[O-])s1)c1cccc(C#N)c1 ZINC001589131667 963348495 /nfs/dbraw/zinc/34/84/95/963348495.db2.gz ZRRAVEANLUFOSI-JTQLQIEISA-N -1 3 286.356 3.169 20 30 CGEDHM N#Cc1[n-]c(=NCC2CCCCC2)sc1Cl ZINC000590570083 346851571 /nfs/dbraw/zinc/85/15/71/346851571.db2.gz WVWMYCSQEHTOGY-UHFFFAOYSA-N -1 3 255.774 3.082 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)CCc2ccccc2)c1[O-] ZINC000005110610 344861083 /nfs/dbraw/zinc/86/10/83/344861083.db2.gz HDMIHIHADCKVPD-OTGIAGGSSA-N -1 3 298.386 3.028 20 30 CGEDHM Cc1ncc(CO)c(/C=N/c2cccc3c2CCCC3)c1[O-] ZINC000018137908 344889465 /nfs/dbraw/zinc/88/94/65/344889465.db2.gz IEVKPTMHYGAJAH-KEBDBYFISA-N -1 3 296.370 3.217 20 30 CGEDHM Cc1cc(C)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574194 344971998 /nfs/dbraw/zinc/97/19/98/344971998.db2.gz GGGWTZKYLSRKJO-OAHLLOKOSA-N -1 3 279.343 3.200 20 30 CGEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1C(C)(C)C ZINC000049458792 345073953 /nfs/dbraw/zinc/07/39/53/345073953.db2.gz UTDGVAMHCWHHRF-LBPRGKRZSA-N -1 3 296.374 3.086 20 30 CGEDHM CCn1c(C)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1C ZINC000049406100 345074018 /nfs/dbraw/zinc/07/40/18/345074018.db2.gz WPLDMVULVGKZSC-HNNXBMFYSA-N -1 3 296.374 3.022 20 30 CGEDHM CCCc1nnc([N-]C(=O)c2sc(CC)nc2C)s1 ZINC000050292428 345079850 /nfs/dbraw/zinc/07/98/50/345079850.db2.gz WEKNIJADLNRSCA-UHFFFAOYSA-N -1 3 296.421 3.454 20 30 CGEDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c([O-])c1C ZINC000052505942 345104675 /nfs/dbraw/zinc/10/46/75/345104675.db2.gz NIWPAYPKFGRJFA-ZDUSSCGKSA-N -1 3 294.354 3.372 20 30 CGEDHM Cc1cc(F)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000076822217 345552026 /nfs/dbraw/zinc/55/20/26/345552026.db2.gz YKJKXSQIQBSYPE-AWEZNQCLSA-N -1 3 283.306 3.031 20 30 CGEDHM C=CCC1(NCc2cc([O-])ccc2[N+](=O)[O-])CCCC1 ZINC000594989767 347250291 /nfs/dbraw/zinc/25/02/91/347250291.db2.gz WJHLLNPCIVAMHX-UHFFFAOYSA-N -1 3 276.336 3.279 20 30 CGEDHM CCN(Cc1cc([O-])ccc1Cl)C[C@@H](C)C#N ZINC000599277675 347731709 /nfs/dbraw/zinc/73/17/09/347731709.db2.gz RFGLZJFNENBSHN-JTQLQIEISA-N -1 3 252.745 3.027 20 30 CGEDHM C=CCC1(C(=O)Nc2ccc([O-])cc2Cl)CCOCC1 ZINC000616942950 348885592 /nfs/dbraw/zinc/88/55/92/348885592.db2.gz JEUCONDUEMWVAD-UHFFFAOYSA-N -1 3 295.766 3.357 20 30 CGEDHM C=CC[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000628488923 350556922 /nfs/dbraw/zinc/55/69/22/350556922.db2.gz LGLSRNGKKHQUDQ-CYBMUJFWSA-N -1 3 285.387 3.309 20 30 CGEDHM C=CC[C@@H]1CCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000629366438 350679799 /nfs/dbraw/zinc/67/97/99/350679799.db2.gz MQKAODBERKVZOZ-LLVKDONJSA-N -1 3 279.767 3.436 20 30 CGEDHM C=CCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000155782549 188227048 /nfs/dbraw/zinc/22/70/48/188227048.db2.gz GMUJCMMMNRRBLU-UHFFFAOYSA-N -1 3 273.254 3.219 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2cc(Cl)ccc2F)o1 ZINC000336378876 213231932 /nfs/dbraw/zinc/23/19/32/213231932.db2.gz HINADHKAOXSECL-UHFFFAOYSA-N -1 3 264.643 3.196 20 30 CGEDHM Cc1nsc([N-]C(=O)N2C[C@H](C)c3ccccc32)c1C#N ZINC000459553517 242128804 /nfs/dbraw/zinc/12/88/04/242128804.db2.gz YKGMRDXDWNXXOT-VIFPVBQESA-N -1 3 298.371 3.479 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC3)n1 ZINC000041519406 369189943 /nfs/dbraw/zinc/18/99/43/369189943.db2.gz PKAITJWPVCUFGH-AWEZNQCLSA-N -1 3 282.368 3.430 20 30 CGEDHM N#CC(=C([O-])c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 ZINC000046706266 369296625 /nfs/dbraw/zinc/29/66/25/369296625.db2.gz PHXXYNFWWZEMSF-GFCCVEGCSA-N -1 3 297.264 3.331 20 30 CGEDHM CC(C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C1CC1 ZINC000161934198 372363200 /nfs/dbraw/zinc/36/32/00/372363200.db2.gz RZZVTRSTDXZJDA-CYBMUJFWSA-N -1 3 294.358 3.226 20 30 CGEDHM Cc1ccc2c(CN(C)CC(C)(C)C#N)ccc([O-])c2n1 ZINC000433296557 372585872 /nfs/dbraw/zinc/58/58/72/372585872.db2.gz IIMDQCHWRZBWCO-UHFFFAOYSA-N -1 3 283.375 3.230 20 30 CGEDHM CCc1cncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000434621256 372694696 /nfs/dbraw/zinc/69/46/96/372694696.db2.gz QVAZMAYUOTWJBM-ZDUSSCGKSA-N -1 3 290.326 3.010 20 30 CGEDHM C=CCOCCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000173647852 373170867 /nfs/dbraw/zinc/17/08/67/373170867.db2.gz FDYAWQVXYOWQPS-UHFFFAOYSA-N -1 3 283.755 3.275 20 30 CGEDHM Cc1csc([C@@H](C)C/N=C/c2ccccc2[O-])n1 ZINC000182164841 374227279 /nfs/dbraw/zinc/22/72/79/374227279.db2.gz IEHZMQAFLRICSB-CYANDVJASA-N -1 3 260.362 3.380 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)c1cccc(CC#N)c1 ZINC000183052590 374363753 /nfs/dbraw/zinc/36/37/53/374363753.db2.gz JQWURZPBOWPETD-UHFFFAOYSA-N -1 3 266.300 3.019 20 30 CGEDHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000328647635 374372272 /nfs/dbraw/zinc/37/22/72/374372272.db2.gz HQVIWLQEZUQCJY-NXEZZACHSA-N -1 3 290.342 3.228 20 30 CGEDHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000328647635 374372279 /nfs/dbraw/zinc/37/22/79/374372279.db2.gz HQVIWLQEZUQCJY-NXEZZACHSA-N -1 3 290.342 3.228 20 30 CGEDHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328647635 374372283 /nfs/dbraw/zinc/37/22/83/374372283.db2.gz HQVIWLQEZUQCJY-NXEZZACHSA-N -1 3 290.342 3.228 20 30 CGEDHM CCO[C@@H]1C[C@H](NC(=O)c2csc(=O)[n-]2)C1(CC)CC ZINC000329925362 374443017 /nfs/dbraw/zinc/44/30/17/374443017.db2.gz VKNPBOODOKJCOO-WDEREUQCSA-N -1 3 298.408 3.137 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)c2c[nH]c(C#N)c2)c([O-])c1 ZINC000334350525 374677170 /nfs/dbraw/zinc/67/71/70/374677170.db2.gz VPYHMHFVLWRQJJ-UHFFFAOYSA-N -1 3 283.331 3.142 20 30 CGEDHM Cc1oc(C#N)cc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000335796296 375437611 /nfs/dbraw/zinc/43/76/11/375437611.db2.gz VWYMBCAMHUMBGA-UHFFFAOYSA-N -1 3 290.706 3.379 20 30 CGEDHM Cc1sc([N-]C(=O)c2cc(C#N)cs2)c(C#N)c1C ZINC000336584438 375851535 /nfs/dbraw/zinc/85/15/35/375851535.db2.gz CDUUSZBXAYRBBP-UHFFFAOYSA-N -1 3 287.369 3.422 20 30 CGEDHM C=CCCc1ccccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000337501501 376225721 /nfs/dbraw/zinc/22/57/21/376225721.db2.gz DEJBXYNFXDFWOR-UHFFFAOYSA-N -1 3 292.342 3.329 20 30 CGEDHM N#CC(=C([O-])c1ccc(C2CCC2)cc1)c1ccncn1 ZINC000562316871 377294420 /nfs/dbraw/zinc/29/44/20/377294420.db2.gz IMYHHPXTHNHVQV-HNNXBMFYSA-N -1 3 277.327 3.234 20 30 CGEDHM CCCOc1ccc(/C=N/CCOCC2CC2)c([O-])c1 ZINC000264589931 377990569 /nfs/dbraw/zinc/99/05/69/377990569.db2.gz ZLPHHDPKCYOFAM-GZTJUZNOSA-N -1 3 277.364 3.027 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCc1cccc(Cl)c1 ZINC000348132595 378805020 /nfs/dbraw/zinc/80/50/20/378805020.db2.gz MHPRROQBDDAPFN-UHFFFAOYSA-N -1 3 281.768 3.115 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1csc2ccccc12 ZINC000351748638 379742340 /nfs/dbraw/zinc/74/23/40/379742340.db2.gz POTHWCHDYCQKLQ-UHFFFAOYSA-N -1 3 267.375 3.219 20 30 CGEDHM N#CC(=C([O-])c1coc2cc(F)ccc21)c1ccccn1 ZINC000361661836 381862085 /nfs/dbraw/zinc/86/20/85/381862085.db2.gz HIMNCWZMLHEYEO-GFCCVEGCSA-N -1 3 280.258 3.457 20 30 CGEDHM C=CCOc1ccccc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649233371 393380642 /nfs/dbraw/zinc/38/06/42/393380642.db2.gz LEWWMAPUKVTNPM-UHFFFAOYSA-N -1 3 299.374 3.081 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1c(C)oc2ccccc21 ZINC000417622270 393350766 /nfs/dbraw/zinc/35/07/66/393350766.db2.gz HFOJOKGMPNGAQJ-GFCCVEGCSA-N -1 3 273.332 3.250 20 30 CGEDHM C=CCC1(C(=O)N=c2[nH][n-]c(C(C)C)c2C)CCCC1 ZINC000649228887 393376260 /nfs/dbraw/zinc/37/62/60/393376260.db2.gz DQUIFGWHSKSFEF-UHFFFAOYSA-N -1 3 275.396 3.338 20 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3 296.370 3.288 20 30 CGEDHM CC[C@@H](C)CON=C([O-])Nc1ccccc1O[C@H](C)C#N ZINC000296968297 263199230 /nfs/dbraw/zinc/19/92/30/263199230.db2.gz WWEJHYIASYCIBE-VXGBXAGGSA-N -1 3 291.351 3.077 20 30 CGEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000296968297 263199231 /nfs/dbraw/zinc/19/92/31/263199231.db2.gz WWEJHYIASYCIBE-VXGBXAGGSA-N -1 3 291.351 3.077 20 30 CGEDHM Cc1nnsc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000331251077 264181202 /nfs/dbraw/zinc/18/12/02/264181202.db2.gz ZHVMUZWUZQMTSX-UHFFFAOYSA-N -1 3 291.376 3.486 20 30 CGEDHM C=CCC(CC=C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160402643 264242845 /nfs/dbraw/zinc/24/28/45/264242845.db2.gz FPGXFCUQGZUTOZ-UHFFFAOYSA-N -1 3 286.335 3.080 20 30 CGEDHM C=CCC(CC=C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160402643 264242848 /nfs/dbraw/zinc/24/28/48/264242848.db2.gz FPGXFCUQGZUTOZ-UHFFFAOYSA-N -1 3 286.335 3.080 20 30 CGEDHM C=CCC(CC=C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160402643 264242850 /nfs/dbraw/zinc/24/28/50/264242850.db2.gz FPGXFCUQGZUTOZ-UHFFFAOYSA-N -1 3 286.335 3.080 20 30 CGEDHM CCc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)ccc1[O-] ZINC000362548483 267006367 /nfs/dbraw/zinc/00/63/67/267006367.db2.gz UJSJFRZGQGGDFG-OAHLLOKOSA-N -1 3 298.317 3.088 20 30 CGEDHM CCc1cc(C(=O)N[C@@H](C#N)c2ccccc2F)ccc1[O-] ZINC000362578188 267010508 /nfs/dbraw/zinc/01/05/08/267010508.db2.gz RYOGTZNKAPWPIL-HNNXBMFYSA-N -1 3 298.317 3.088 20 30 CGEDHM CC[C@H](C)n1nc([N-]c2ccc(C#N)cc2[N+](=O)[O-])cc1C ZINC000540491944 288657582 /nfs/dbraw/zinc/65/75/82/288657582.db2.gz PJYNHJCSEIPBMH-JTQLQIEISA-N -1 3 299.334 3.108 20 30 CGEDHM C[C@@H](C#N)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000340327287 328256774 /nfs/dbraw/zinc/25/67/74/328256774.db2.gz NQNAPRRZPLCIPQ-LBPRGKRZSA-N -1 3 280.327 3.081 20 30 CGEDHM C=CCN(Cc1ccc(Cl)s1)CC1(C(=O)[O-])CC1 ZINC000564660389 327246712 /nfs/dbraw/zinc/24/67/12/327246712.db2.gz FBWDMCMPRSPKRQ-UHFFFAOYSA-N -1 3 285.796 3.254 20 30 CGEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccccc1[O-] ZINC000194221685 329068352 /nfs/dbraw/zinc/06/83/52/329068352.db2.gz VWOYXFPRQKBOHN-UHFFFAOYSA-N -1 3 285.318 3.360 20 30 CGEDHM Cc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c([O-])c1C ZINC000436758063 330684397 /nfs/dbraw/zinc/68/43/97/330684397.db2.gz KWIIJDNIKVVSES-OAHLLOKOSA-N -1 3 298.317 3.143 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1cc(OCC)ccc1Cl ZINC000451097432 331015536 /nfs/dbraw/zinc/01/55/36/331015536.db2.gz ZLXJTEWPVNHYTK-UHFFFAOYSA-N -1 3 289.784 3.057 20 30 CGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000465502461 331384526 /nfs/dbraw/zinc/38/45/26/331384526.db2.gz BAHDOBAHUWMXRH-JTQLQIEISA-N -1 3 295.791 3.346 20 30 CGEDHM C=CCOc1cccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000486153125 331932542 /nfs/dbraw/zinc/93/25/42/331932542.db2.gz XJVPMVZKUJZKFO-FPLPWBNLSA-N -1 3 268.316 3.226 20 30 CGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000546060627 334014915 /nfs/dbraw/zinc/01/49/15/334014915.db2.gz DXOQGGRDPOVBIF-JTQLQIEISA-N -1 3 291.775 3.112 20 30 CGEDHM CC#CCSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000078937615 334143424 /nfs/dbraw/zinc/14/34/24/334143424.db2.gz SVDONAKFOARQOY-UHFFFAOYSA-N -1 3 293.779 3.153 20 30 CGEDHM Cc1csc([N-]C(=O)c2nc(C3CC3)oc2C)c1C#N ZINC000576262376 335179017 /nfs/dbraw/zinc/17/90/17/335179017.db2.gz FNZPASVGMISMHY-UHFFFAOYSA-N -1 3 287.344 3.354 20 30 CGEDHM C=CCCCCCN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192600081 335281323 /nfs/dbraw/zinc/28/13/23/335281323.db2.gz PQVKLRYDULVQJO-CYBMUJFWSA-N -1 3 263.385 3.230 20 30 CGEDHM Cc1cccc(C(=O)Nc2cccc(C#N)c2C)c1[O-] ZINC000178407299 534626768 /nfs/dbraw/zinc/62/67/68/534626768.db2.gz OTQOTGSXTGEZRJ-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM CC[C@H](C)n1nc(C([O-])=C(C#N)c2ccccn2)cc1C ZINC000350917746 529287196 /nfs/dbraw/zinc/28/71/96/529287196.db2.gz KBXZJVOAFLDIMK-AAEUAGOBSA-N -1 3 282.347 3.048 20 30 CGEDHM CC[C@@H]1CCC[C@@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329984358 529302273 /nfs/dbraw/zinc/30/22/73/529302273.db2.gz QGIUEBRLYUFKGX-RKDXNWHRSA-N -1 3 254.355 3.122 20 30 CGEDHM CN(CC#N)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000726964129 571689105 /nfs/dbraw/zinc/68/91/05/571689105.db2.gz UJGKQNOABWPMRN-UHFFFAOYSA-N -1 3 266.300 3.247 20 30 CGEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc([O-])cc1 ZINC000727972878 571782199 /nfs/dbraw/zinc/78/21/99/571782199.db2.gz IZABGJWBKGRWIQ-UHFFFAOYSA-N -1 3 285.303 3.445 20 30 CGEDHM N#CCCN(Cc1c([O-])ccc2ccncc21)CC1CC1 ZINC000728901670 571846590 /nfs/dbraw/zinc/84/65/90/571846590.db2.gz ZHRDRBZYFPGMAR-UHFFFAOYSA-N -1 3 281.359 3.066 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cnn3ccccc23)ccc1[O-] ZINC000729644186 571927064 /nfs/dbraw/zinc/92/70/64/571927064.db2.gz ROUAUCNWRINHKU-SOFGYWHQSA-N -1 3 278.311 3.244 20 30 CGEDHM CC(=NNc1ccc(C#N)cc1)c1ccc([O-])cc1F ZINC000729932780 571937538 /nfs/dbraw/zinc/93/75/38/571937538.db2.gz PTMVUYRWCVRJAV-UHFFFAOYSA-N -1 3 269.279 3.239 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\[C@H]2CCc3ccc(F)cc32)c1O ZINC000730147810 571950826 /nfs/dbraw/zinc/95/08/26/571950826.db2.gz SZEODEXPIULVTI-WUQDTEKSSA-N -1 3 287.290 3.049 20 30 CGEDHM Cc1c(C(=O)/C=C\c2ccc([O-])cc2)c(C#N)c2n1CCC2 ZINC000731937707 572439045 /nfs/dbraw/zinc/43/90/45/572439045.db2.gz KPMPSLMCMAEGJO-TWGQIWQCSA-N -1 3 292.338 3.216 20 30 CGEDHM [O-]c1ccccc1/C=N\CCc1ccc(F)cc1F ZINC000732623132 572474397 /nfs/dbraw/zinc/47/43/97/572474397.db2.gz ZKHMFJFLXGFVKW-ZDLGFXPLSA-N -1 3 261.271 3.332 20 30 CGEDHM Cc1ccc(NN=C2C(=O)[N-]c3c2c(C)ccc3F)cc1 ZINC000732710413 572478072 /nfs/dbraw/zinc/47/80/72/572478072.db2.gz MKYPAVFGGBYXCC-UHFFFAOYSA-N -1 3 283.306 3.211 20 30 CGEDHM [O-]c1ccccc1/C=N\C[C@@H]1OCCc2ccccc21 ZINC000733080842 572506743 /nfs/dbraw/zinc/50/67/43/572506743.db2.gz CZBMLQOXQJOULZ-PBXDPIQXSA-N -1 3 267.328 3.125 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000734366568 572650052 /nfs/dbraw/zinc/65/00/52/572650052.db2.gz XNXQCYMTKIEHSC-OYVKMAIOSA-N -1 3 290.407 3.223 20 30 CGEDHM CCCCCC[C@H](C)NN=Cc1ccc(O)c([O-])c1O ZINC000743449226 572662928 /nfs/dbraw/zinc/66/29/28/572662928.db2.gz RENQTMVZFUSXCM-NSHDSACASA-N -1 3 280.368 3.086 20 30 CGEDHM CCO[C@H](CC/N=C\c1c([O-])cccc1OC)C(C)C ZINC000746391839 572868749 /nfs/dbraw/zinc/86/87/49/572868749.db2.gz BWCOYUGKVPCHJJ-QJISPJEISA-N -1 3 279.380 3.271 20 30 CGEDHM [O-]c1cccc(C=Nc2ccc(OCC(F)F)cc2)c1O ZINC000748285648 572972128 /nfs/dbraw/zinc/97/21/28/572972128.db2.gz LNGNEUXZVBIYJH-UHFFFAOYSA-N -1 3 293.269 3.492 20 30 CGEDHM COc1cccc([O-])c1/C=N\CCc1cc(F)cc(F)c1 ZINC000748584422 572980883 /nfs/dbraw/zinc/98/08/83/572980883.db2.gz QXIFVSRYSSLGLI-GRSHGNNSSA-N -1 3 291.297 3.341 20 30 CGEDHM O=C1c2cccc([O-])c2C/C1=C/c1ccc(Cl)nc1 ZINC000748998067 572987879 /nfs/dbraw/zinc/98/78/79/572987879.db2.gz JKXQLIKKQIIJIC-POHAHGRESA-N -1 3 271.703 3.263 20 30 CGEDHM COc1cccc([O-])c1/C=N\CCc1cccc(C)c1 ZINC000749103957 572989094 /nfs/dbraw/zinc/98/90/94/572989094.db2.gz FYTMLHPOHZYGJW-PDGQHHTCSA-N -1 3 269.344 3.371 20 30 CGEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000050509936 600761346 /nfs/dbraw/zinc/76/13/46/600761346.db2.gz VJFVNKSAWCAPGY-BLLLJJGKSA-N -1 3 280.327 3.035 20 30 CGEDHM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(CCC#N)c1=O ZINC000899346217 620648694 /nfs/dbraw/zinc/64/86/94/620648694.db2.gz GNVCRIBCQBNQCX-CYBMUJFWSA-N -1 3 289.766 3.072 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2ccnn2C2CCC2)cc(O)c1[O-] ZINC000899381398 620686686 /nfs/dbraw/zinc/68/66/86/620686686.db2.gz PVBASNFRXHIJNF-AATRIKPKSA-N -1 3 298.342 3.224 20 30 CGEDHM CC1(C)CCCC(=Cc2ccc(-c3nnn[n-]3)s2)C1=O ZINC000820589536 606859531 /nfs/dbraw/zinc/85/95/31/606859531.db2.gz HNTWTXFUZJLATA-CMDGGOBGSA-N -1 3 288.376 3.091 20 30 CGEDHM O=C(c1ccc2ncccc2c1)N([O-])Cc1ccc(F)cc1 ZINC000900095454 620761263 /nfs/dbraw/zinc/76/12/63/620761263.db2.gz DTTJBKXATRKWIZ-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM CN1CCCC[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091666 620761285 /nfs/dbraw/zinc/76/12/85/620761285.db2.gz HCALPCIGLWHBJX-QGZVFWFLSA-N -1 3 298.386 3.042 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCc1sccc1C ZINC000846536600 618089651 /nfs/dbraw/zinc/08/96/51/618089651.db2.gz RVZICFDBNMGSBO-UHFFFAOYSA-N 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QRKUJZFXCOYPBO-UWVGGRQHSA-N -1 3 296.798 3.315 20 30 CGEDHM Cc1cc([O-])c(C=NNC2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000901303846 620851412 /nfs/dbraw/zinc/85/14/12/620851412.db2.gz PRTOVAQWQACMPG-QWRGUYRKSA-N -1 3 296.798 3.234 20 30 CGEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)[C@H](C)O1 ZINC000901373375 620867330 /nfs/dbraw/zinc/86/73/30/620867330.db2.gz XXEPKWPKVCRSIL-IGCXYCKISA-N -1 3 299.370 3.371 20 30 CGEDHM COc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC000901376498 620868721 /nfs/dbraw/zinc/86/87/21/620868721.db2.gz URBRGPBFIXGQER-UHFFFAOYSA-N -1 3 289.306 3.174 20 30 CGEDHM COC[C@H](C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171012 621883922 /nfs/dbraw/zinc/88/39/22/621883922.db2.gz IAGPQTBVLCFXJQ-CYBMUJFWSA-N -1 3 287.359 3.230 20 30 CGEDHM CC[C@@H]1C[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904173453 621885081 /nfs/dbraw/zinc/88/50/81/621885081.db2.gz MUWDRBQLCFYYAN-DZGCQCFKSA-N -1 3 295.354 3.139 20 30 CGEDHM O=C(C[C@H]1CCCCO1)N([O-])Cc1ccccc1Cl ZINC000904188552 621886302 /nfs/dbraw/zinc/88/63/02/621886302.db2.gz DRVQYBRBFRACID-GFCCVEGCSA-N -1 3 283.755 3.017 20 30 CGEDHM C[C@H]1CC[C@H](CCC(=O)N([O-])Cc2ccccc2Cl)O1 ZINC000904188787 621886703 /nfs/dbraw/zinc/88/67/03/621886703.db2.gz NWCOUPNFEMLCAP-WCQYABFASA-N -1 3 297.782 3.406 20 30 CGEDHM O=C(N([O-])Cc1ccccc1Cl)C1(CCF)CC1 ZINC000904193261 621887256 /nfs/dbraw/zinc/88/72/56/621887256.db2.gz MSUJUIJYRLZKQE-UHFFFAOYSA-N -1 3 271.719 3.198 20 30 CGEDHM CCCCCCN([O-])C(=O)CCc1c(C)noc1Cl ZINC000904205863 621889802 /nfs/dbraw/zinc/88/98/02/621889802.db2.gz VZDVKCRBTASYHF-UHFFFAOYSA-N -1 3 288.775 3.367 20 30 CGEDHM CC1(C)CCc2sc([N-]C(=O)c3cocn3)c(C#N)c21 ZINC000906263292 622210872 /nfs/dbraw/zinc/21/08/72/622210872.db2.gz VBYNJXCMDXJSEV-UHFFFAOYSA-N -1 3 287.344 3.084 20 30 CGEDHM [O-]c1cccc(Cl)c1C=NNc1ccc(F)cn1 ZINC000755707681 625587073 /nfs/dbraw/zinc/58/70/73/625587073.db2.gz XEZPUAHKGZNNKI-UHFFFAOYSA-N -1 3 265.675 3.026 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2ccc(C3CC3)cc2)c1O ZINC000771522279 625661953 /nfs/dbraw/zinc/66/19/53/625661953.db2.gz ZLUGEVFBHUKEHT-UHFFFAOYSA-N -1 3 269.300 3.431 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cccc(F)c2)nc(C)n1 ZINC000916879645 624221310 /nfs/dbraw/zinc/22/13/10/624221310.db2.gz CUNUYHBVPDSSTI-IDTUSYRASA-N -1 3 295.317 3.122 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000155083598 624422565 /nfs/dbraw/zinc/42/25/65/624422565.db2.gz GFHXNXQQQQFIPA-PJRCSUCCSA-N -1 3 279.767 3.422 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc(F)c(C#N)c2)ccc1[O-] ZINC000756257036 626686876 /nfs/dbraw/zinc/68/68/76/626686876.db2.gz CBZSPQVBMNIBKL-UTCJRWHESA-N -1 3 297.285 3.308 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccc(F)c(C#N)c2)ccc1[O-] ZINC000756257039 626686974 /nfs/dbraw/zinc/68/69/74/626686974.db2.gz CBZSPQVBMNIBKL-ZZXKWVIFSA-N -1 3 297.285 3.308 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/C1CC(F)(F)C1 ZINC000760989668 627007850 /nfs/dbraw/zinc/00/78/50/627007850.db2.gz DUUNHELGTZDPHH-GIDUJCDVSA-N -1 3 290.107 3.371 20 30 CGEDHM C[C@H](C#N)CN(Cc1c([O-])cccc1Cl)C1CC1 ZINC000769545996 627564659 /nfs/dbraw/zinc/56/46/59/627564659.db2.gz SYGRIAALLNFIMS-SNVBAGLBSA-N -1 3 264.756 3.170 20 30 CGEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(C(C)C)c2)c1[O-] ZINC000773908931 627927774 /nfs/dbraw/zinc/92/77/74/627927774.db2.gz XLQVFDAEXDLGFD-VXLYETTFSA-N -1 3 298.386 3.330 20 30 CGEDHM Cc1cc(=O)[n-]c(CS[C@H](C)c2cccc(C#N)c2)n1 ZINC000785535514 628869775 /nfs/dbraw/zinc/86/97/75/628869775.db2.gz QZQWEKDBNRHPQQ-LLVKDONJSA-N -1 3 285.372 3.357 20 30 CGEDHM CCC(COC)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128909 629481359 /nfs/dbraw/zinc/48/13/59/629481359.db2.gz RKAVLGMMLZOGTB-UHFFFAOYSA-N -1 3 276.365 3.117 20 30 CGEDHM CCC(N=Nc1cccc(F)n1)c1ccc([O-])c(F)c1 ZINC000795007073 629620765 /nfs/dbraw/zinc/62/07/65/629620765.db2.gz PVAHGLKTZPVMBV-UHFFFAOYSA-N -1 3 277.274 3.292 20 30 CGEDHM COc1ccc(NN=C2CCc3c2ccc([O-])c3F)cc1 ZINC000807979271 630610647 /nfs/dbraw/zinc/61/06/47/630610647.db2.gz PDFKVDAYVMMDQK-UHFFFAOYSA-N -1 3 286.306 3.302 20 30 CGEDHM CCCCCCCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000808775991 630676274 /nfs/dbraw/zinc/67/62/74/630676274.db2.gz PFQKWVASAUAWBC-ZDUSSCGKSA-N -1 3 280.416 3.050 20 30 CGEDHM Cc1cc(COC(=O)c2cc([O-])cc(C#N)c2)c(C)s1 ZINC000811186811 631042300 /nfs/dbraw/zinc/04/23/00/631042300.db2.gz ZKWQFOPDAXWJMY-UHFFFAOYSA-N -1 3 287.340 3.299 20 30 CGEDHM C=CCO[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000837048679 634848144 /nfs/dbraw/zinc/84/81/44/634848144.db2.gz WEGHSKVCOCBQRJ-LLVKDONJSA-N -1 3 267.756 3.143 20 30 CGEDHM N#CC(=C([O-])C=C1CCC1)c1cc(C(F)(F)F)ccn1 ZINC000813212673 631388440 /nfs/dbraw/zinc/38/84/40/631388440.db2.gz FEIAPLWPZORBMA-LLVKDONJSA-N -1 3 280.249 3.387 20 30 CGEDHM C#C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(C)(C)C ZINC000813775870 631460174 /nfs/dbraw/zinc/46/01/74/631460174.db2.gz AGVHDIWLFXACLS-CQSZACIVSA-N -1 3 287.384 3.385 20 30 CGEDHM C[C@@H]1CCCC[C@@H]1CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824939979 633307598 /nfs/dbraw/zinc/30/75/98/633307598.db2.gz YQULSLVZVOBYJT-DGCLKSJQSA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@@H]1CCCC[C@@H]1CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824939979 633307605 /nfs/dbraw/zinc/30/76/05/633307605.db2.gz YQULSLVZVOBYJT-DGCLKSJQSA-N -1 3 284.367 3.091 20 30 CGEDHM CC(C)(C)C#CC(=O)Nc1cc(Br)ccc1[O-] ZINC000837498328 634920444 /nfs/dbraw/zinc/92/04/44/634920444.db2.gz UEJGRAPYEXZJLP-UHFFFAOYSA-N -1 3 296.164 3.143 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)C2=CCCC2)c1[O-] ZINC000840711063 635039759 /nfs/dbraw/zinc/03/97/59/635039759.db2.gz UPPMXBLXAIFMDR-NVMNQCDNSA-N -1 3 288.391 3.143 20 30 CGEDHM Cc1cc([O-])c(C=NN[C@H](C)C(F)(F)F)c(Cl)c1 ZINC000841639368 635206350 /nfs/dbraw/zinc/20/63/50/635206350.db2.gz BQNYIDYRJGEIRE-SSDOTTSWSA-N -1 3 280.677 3.228 20 30 CGEDHM CC(C)(C)CC(=O)[N-]OCc1ccc(Cl)cc1C#N ZINC000842060681 635269976 /nfs/dbraw/zinc/26/99/76/635269976.db2.gz ANONAEOAWDCTJM-UHFFFAOYSA-N -1 3 280.755 3.196 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC000846535358 636194255 /nfs/dbraw/zinc/19/42/55/636194255.db2.gz ZNCNTWZSHLJGST-UHFFFAOYSA-N -1 3 293.338 3.193 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1ccccc1Cl ZINC000846550242 636199595 /nfs/dbraw/zinc/19/95/95/636199595.db2.gz LUWCAPBGQWMSPN-NSHDSACASA-N -1 3 283.755 3.121 20 30 CGEDHM CC1(C)OCC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000852997884 637726570 /nfs/dbraw/zinc/72/65/70/637726570.db2.gz DLFHLUYDMKPEGE-AXLKIAQESA-N -1 3 267.756 3.280 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)C1(CC)CCC(F)(F)CC1 ZINC000855027766 638136033 /nfs/dbraw/zinc/13/60/33/638136033.db2.gz MALLEDHCMYCXGO-SNVBAGLBSA-N -1 3 261.312 3.214 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1coc2c1ccc(C)c2C ZINC000856028553 638286209 /nfs/dbraw/zinc/28/62/09/638286209.db2.gz JLCLCGHGUCWSNZ-UHFFFAOYSA-N -1 3 273.332 3.216 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000856032292 638288814 /nfs/dbraw/zinc/28/88/14/638288814.db2.gz JPRNEPZWQQKTKJ-UHFFFAOYSA-N -1 3 272.348 3.033 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1cccc(Cl)c1Cl ZINC000856034906 638289961 /nfs/dbraw/zinc/28/99/61/638289961.db2.gz NZQYFMBOFHUAAS-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM C=CCCO[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000856036039 638290147 /nfs/dbraw/zinc/29/01/47/638290147.db2.gz SFAIGBCMPGWUOI-UHFFFAOYSA-N -1 3 295.207 3.221 20 30 CGEDHM C[C@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)c2ccccc2)C1 ZINC000116811442 639160076 /nfs/dbraw/zinc/16/00/76/639160076.db2.gz QGTJVRLXQWFSNG-SWLSCSKDSA-N -1 3 292.329 3.367 20 30 CGEDHM Cc1ccc([N+](=O)[O-])cc1N=Cc1cccc([O-])c1O ZINC000254523166 640912944 /nfs/dbraw/zinc/91/29/44/640912944.db2.gz VTDJZZUBQABKNY-UHFFFAOYSA-N -1 3 272.260 3.065 20 30 CGEDHM C=CCCCNc1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001159259579 806067401 /nfs/dbraw/zinc/06/74/01/806067401.db2.gz MYKXBIFZCVKLLR-VGOFMYFVSA-N -1 3 286.788 3.038 20 30 CGEDHM CC(C)CCC(=O)N([O-])Cc1ccccc1Cl ZINC001161802198 806457717 /nfs/dbraw/zinc/45/77/17/806457717.db2.gz LQXHYTQFMJGCBX-UHFFFAOYSA-N -1 3 255.745 3.494 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1ccc(OC)c(OC)c1 ZINC001161818754 806462737 /nfs/dbraw/zinc/46/27/37/806462737.db2.gz IPPAAVUMQMISRJ-UHFFFAOYSA-N -1 3 295.379 3.044 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccccc2OC)ccc1[O-] ZINC000213712537 799134404 /nfs/dbraw/zinc/13/44/04/799134404.db2.gz RLGLSTHSACCGSH-CLFYSBASSA-N -1 3 284.311 3.306 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCCOCC1 ZINC000588386988 799685484 /nfs/dbraw/zinc/68/54/84/799685484.db2.gz BPZCKBVPZPCSNC-CDCQXCROSA-N -1 3 253.729 3.034 20 30 CGEDHM Cn1ccc2ccc(N=Cc3ccc(O)c([O-])c3O)cc21 ZINC000588553324 799710624 /nfs/dbraw/zinc/71/06/24/799710624.db2.gz URYIIIPJWZHPJA-UHFFFAOYSA-N -1 3 282.299 3.046 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(SC)oc1C ZINC001123234194 802919966 /nfs/dbraw/zinc/91/99/66/802919966.db2.gz RPCSMCQKZGHFEN-NSHDSACASA-N -1 3 289.360 3.016 20 30 CGEDHM CCN(CC)C(=O)c1ccc(-c2cccc(/C=N/[O-])c2)cn1 ZINC001243768581 802990056 /nfs/dbraw/zinc/99/00/56/802990056.db2.gz NQHICHQWAZFVRY-YBFXNURJSA-N -1 3 297.358 3.039 20 30 CGEDHM Cc1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1C ZINC001244155214 803215111 /nfs/dbraw/zinc/21/51/11/803215111.db2.gz RVFPFXZOWWZGNB-VLGSPTGOSA-N -1 3 252.317 3.490 20 30 CGEDHM COC(=O)Cc1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001244220307 803246949 /nfs/dbraw/zinc/24/69/49/803246949.db2.gz LPGNSTXWNNQOSV-VCHYOVAHSA-N -1 3 287.290 3.016 20 30 CGEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(Cl)c1C#N ZINC001244735906 803516048 /nfs/dbraw/zinc/51/60/48/803516048.db2.gz ZDZWZEAPAAUCCW-UHFFFAOYSA-N -1 3 295.733 3.367 20 30 CGEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(Cl)c1C#N ZINC001244735906 803516051 /nfs/dbraw/zinc/51/60/51/803516051.db2.gz ZDZWZEAPAAUCCW-UHFFFAOYSA-N -1 3 295.733 3.367 20 30 CGEDHM N#Cc1cnc(Nc2ccc([O-])c(F)c2F)c(Cl)c1 ZINC001212000026 814964988 /nfs/dbraw/zinc/96/49/88/814964988.db2.gz ILEUSIOTZVQVBY-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM N#CCc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212010990 814966679 /nfs/dbraw/zinc/96/66/79/814966679.db2.gz LIKFSMPULXVPLH-UHFFFAOYSA-N -1 3 260.243 3.480 20 30 CGEDHM N#CCCN(Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140052924 804364182 /nfs/dbraw/zinc/36/41/82/804364182.db2.gz HONJPUXBUYDCQA-UHFFFAOYSA-N -1 3 284.334 3.447 20 30 CGEDHM Cc1coc([N-]C(=O)c2cc(F)c(F)c(C)c2F)c1C#N ZINC001148726277 805207496 /nfs/dbraw/zinc/20/74/96/805207496.db2.gz ZWVXSCTYOMIKRO-UHFFFAOYSA-N -1 3 294.232 3.438 20 30 CGEDHM Cc1cc(C#N)c([N-]C(=O)c2onc3ccccc32)s1 ZINC001154371361 805452031 /nfs/dbraw/zinc/45/20/31/805452031.db2.gz OPHJIJACIZVSRX-UHFFFAOYSA-N -1 3 283.312 3.322 20 30 CGEDHM CC(C)(C)c1nnc([N-]c2ccccc2OCC#N)o1 ZINC001212596451 815080652 /nfs/dbraw/zinc/08/06/52/815080652.db2.gz TXLPQOWYIJYUSR-UHFFFAOYSA-N -1 3 272.308 3.013 20 30 CGEDHM Cc1ccc(C(=O)/C=C/C(=O)[N-]OC2CCCCC2)cc1 ZINC001155055263 805528910 /nfs/dbraw/zinc/52/89/10/805528910.db2.gz GEGTWYJIEMKHRF-VAWYXSNFSA-N -1 3 287.359 3.114 20 30 CGEDHM N#CCOc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC001261244830 807719551 /nfs/dbraw/zinc/71/95/51/807719551.db2.gz FPGNTEJIJGDXQB-UHFFFAOYSA-N -1 3 290.269 3.185 20 30 CGEDHM Cc1nc2ccc(Nc3cc(C#N)ccc3[O-])cc2o1 ZINC001213067808 815216999 /nfs/dbraw/zinc/21/69/99/815216999.db2.gz ZCGMIGLOXHKEBQ-UHFFFAOYSA-N -1 3 265.272 3.457 20 30 CGEDHM COc1ccc(F)cc1Nc1cc(C#N)ccc1[O-] ZINC001173955912 808784638 /nfs/dbraw/zinc/78/46/38/808784638.db2.gz PQZZZNHMODUWDG-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM COCc1ccccc1Nc1cc(C#N)ccc1[O-] ZINC001174104018 808867707 /nfs/dbraw/zinc/86/77/07/808867707.db2.gz VJBYDJWYXMOQQJ-UHFFFAOYSA-N -1 3 254.289 3.154 20 30 CGEDHM CNc1ccc(C#N)cc1Nc1ccc([O-])c(F)c1 ZINC001174741097 809148904 /nfs/dbraw/zinc/14/89/04/809148904.db2.gz KZYMMKLESNEOJV-UHFFFAOYSA-N -1 3 257.268 3.188 20 30 CGEDHM Cc1nsc(Nc2cc(F)c([O-])c(F)c2)c1C#N ZINC001213370908 815271199 /nfs/dbraw/zinc/27/11/99/815271199.db2.gz PAJVCDXEXPTLJI-UHFFFAOYSA-N -1 3 267.260 3.051 20 30 CGEDHM CC(=O)c1ccc(F)c(Nc2c([O-])cccc2C#N)c1 ZINC001175275134 809336801 /nfs/dbraw/zinc/33/68/01/809336801.db2.gz KMEUESOLOXPWDX-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM C=CCO[N-]C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001297991426 809525823 /nfs/dbraw/zinc/52/58/23/809525823.db2.gz PNHUWWOGEMQFQQ-UHFFFAOYSA-N -1 3 275.735 3.270 20 30 CGEDHM COCCOc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001175788543 809543438 /nfs/dbraw/zinc/54/34/38/809543438.db2.gz XXKFHQKIADUUPT-UHFFFAOYSA-N -1 3 284.315 3.033 20 30 CGEDHM Cc1ccc(Nc2ccc([O-])cc2C#N)cc1[N+](=O)[O-] ZINC001213670042 815321338 /nfs/dbraw/zinc/32/13/38/815321338.db2.gz FMTPNSHVFSGADN-UHFFFAOYSA-N -1 3 269.260 3.224 20 30 CGEDHM N#Cc1cc(NC(=O)[C@@H]2CC23CCCCC3)ccc1[O-] ZINC001181908090 810083158 /nfs/dbraw/zinc/08/31/58/810083158.db2.gz JNYZYELRXWAIKU-ZDUSSCGKSA-N -1 3 270.332 3.173 20 30 CGEDHM O=C(Cc1cccc(F)c1)N([O-])Cc1ccccc1Cl ZINC001184284111 810189223 /nfs/dbraw/zinc/18/92/23/810189223.db2.gz YYMVZMQMEWENDW-UHFFFAOYSA-N -1 3 293.725 3.440 20 30 CGEDHM N#Cc1cc(NC(=O)c2ncccc2C2CCC2)ccc1[O-] ZINC001185277241 810251800 /nfs/dbraw/zinc/25/18/00/810251800.db2.gz JKNSGMUEAUWRRD-UHFFFAOYSA-N -1 3 293.326 3.179 20 30 CGEDHM CCCc1onc(C)c1C(=O)[N-]c1ccsc1C#N ZINC001187932805 810434568 /nfs/dbraw/zinc/43/45/68/810434568.db2.gz QRQOPUWAHHLYLK-UHFFFAOYSA-N -1 3 275.333 3.121 20 30 CGEDHM CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2C#N)c([O-])c1 ZINC001192322576 810788044 /nfs/dbraw/zinc/78/80/44/810788044.db2.gz FDBYTXCYEYTLOW-ZDUSSCGKSA-N -1 3 286.375 3.208 20 30 CGEDHM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196405019 811341581 /nfs/dbraw/zinc/34/15/81/811341581.db2.gz CFLUWGMWLQEIMG-UHFFFAOYSA-N -1 3 297.326 3.110 20 30 CGEDHM CCCCCCNC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001200956347 811773054 /nfs/dbraw/zinc/77/30/54/811773054.db2.gz AYARBQBDCGYNNR-UHFFFAOYSA-N -1 3 277.393 3.131 20 30 CGEDHM Cc1nc(Nc2ccc(C(F)(F)F)cc2C#N)cc(=O)[n-]1 ZINC001201691177 811937345 /nfs/dbraw/zinc/93/73/45/811937345.db2.gz GLCOXAONFPUIRM-UHFFFAOYSA-N -1 3 294.236 3.125 20 30 CGEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1c(F)cccc1F ZINC001202042841 812003668 /nfs/dbraw/zinc/00/36/68/812003668.db2.gz DBUHBOWLFOFZSJ-UHFFFAOYSA-N -1 3 289.241 3.186 20 30 CGEDHM Cc1c(C)c(Nc2cc(C#N)ccc2[O-])ccc1CO ZINC001215245634 815498327 /nfs/dbraw/zinc/49/83/27/815498327.db2.gz SECFBGAGTUDNMX-UHFFFAOYSA-N -1 3 268.316 3.117 20 30 CGEDHM Cc1ccc(NC(=O)[N-]c2oncc2C#N)cc1Cl ZINC001202800994 812177155 /nfs/dbraw/zinc/17/71/55/812177155.db2.gz VEXFPAZJSOPUAD-UHFFFAOYSA-N -1 3 276.683 3.152 20 30 CGEDHM N#Cc1cc(Nc2cc([O-])cc(F)c2)cc(F)c1F ZINC001208125552 813699956 /nfs/dbraw/zinc/69/99/56/813699956.db2.gz MNQHZVMCZOGDOT-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1cc(C#N)cc(C#N)c1Nc1ccc(F)cc1[O-] ZINC001210016484 814245740 /nfs/dbraw/zinc/24/57/40/814245740.db2.gz IORAFCCXAYTYPT-UHFFFAOYSA-N -1 3 267.263 3.327 20 30 CGEDHM N#Cc1cc(F)c(Nc2ccc(F)cc2[O-])c(F)c1 ZINC001210016821 814247302 /nfs/dbraw/zinc/24/73/02/814247302.db2.gz NZOUZTHQAZDJBM-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM CN(C)/C=N/c1ccc(-c2cc([O-])ccc2F)cc1C#N ZINC001242763994 823125262 /nfs/dbraw/zinc/12/52/62/823125262.db2.gz AXCHPSZCVDPYJG-VXLYETTFSA-N -1 3 283.306 3.291 20 30 CGEDHM Cc1c(C)n(-c2cc([O-])cc(C(F)(F)F)c2)c(N)c1C#N ZINC001210822869 814644875 /nfs/dbraw/zinc/64/48/75/814644875.db2.gz LKVWGIHBCSNAFZ-UHFFFAOYSA-N -1 3 295.264 3.272 20 30 CGEDHM N#Cc1cc([O-])ccc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211192049 814844285 /nfs/dbraw/zinc/84/42/85/814844285.db2.gz BNSHROVQTVDUEJ-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM Cc1cc(C)c(N)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001216099614 815692575 /nfs/dbraw/zinc/69/25/75/815692575.db2.gz FDEQEUIKGTVPPM-UHFFFAOYSA-N -1 3 253.305 3.207 20 30 CGEDHM CCc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)ccc1C#N ZINC001216315182 815776975 /nfs/dbraw/zinc/77/69/75/815776975.db2.gz AQBKCVQKPHHULF-UHFFFAOYSA-N -1 3 280.331 3.237 20 30 CGEDHM Cc1ncc(C#N)cc1Nc1cc(Cl)ccc1[O-] ZINC001216397328 815811070 /nfs/dbraw/zinc/81/10/70/815811070.db2.gz FWWQYXNWBFYZSC-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1cc(-c2nnn[n-]2)ccc1F ZINC001222666643 816495524 /nfs/dbraw/zinc/49/55/24/816495524.db2.gz KXIKOULRLLGKPD-UHFFFAOYSA-N -1 3 293.305 3.161 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1cc(-c2nn[n-]n2)ccc1F ZINC001222666643 816495526 /nfs/dbraw/zinc/49/55/26/816495526.db2.gz KXIKOULRLLGKPD-UHFFFAOYSA-N -1 3 293.305 3.161 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc[n-]c(=O)c2C)C1 ZINC001226072099 817264960 /nfs/dbraw/zinc/26/49/60/817264960.db2.gz YFKSXUPYHKXQQW-STQMWFEESA-N -1 3 260.337 3.170 20 30 CGEDHM [O-]/N=C/c1ccnc(O[C@@H]2Cc3cccc4cccc2c34)n1 ZINC001226253138 817312855 /nfs/dbraw/zinc/31/28/55/817312855.db2.gz FGVAWXWRLKGOAH-GDXCHIGESA-N -1 3 291.310 3.114 20 30 CGEDHM C#C[C@H](CCCCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226477921 817370408 /nfs/dbraw/zinc/37/04/08/817370408.db2.gz ALKLJPKECNDERG-GFCCVEGCSA-N -1 3 276.332 3.261 20 30 CGEDHM C=CC[C@H](Oc1c([O-])ccc(C(C)=O)c1O)C(C)C ZINC001226482743 817371519 /nfs/dbraw/zinc/37/15/19/817371519.db2.gz PXZWCHGYZQQUAA-ZDUSSCGKSA-N -1 3 264.321 3.280 20 30 CGEDHM C#C[C@@H](CCCC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599848 817409545 /nfs/dbraw/zinc/40/95/45/817409545.db2.gz OYQCQLRHMIZDSP-LBPRGKRZSA-N -1 3 272.300 3.069 20 30 CGEDHM C[C@H](COc1cc(C#N)ccc1[O-])Oc1ccccc1 ZINC001227350890 817631244 /nfs/dbraw/zinc/63/12/44/817631244.db2.gz QPIYEUKIKHRFRQ-GFCCVEGCSA-N -1 3 269.300 3.110 20 30 CGEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001227351710 817631287 /nfs/dbraw/zinc/63/12/87/817631287.db2.gz XTJJHCYHOARKED-JTQLQIEISA-N -1 3 284.271 3.312 20 30 CGEDHM CC#CC[C@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745246 817710951 /nfs/dbraw/zinc/71/09/51/817710951.db2.gz LGIPRSWQSILVBW-NSHDSACASA-N -1 3 273.292 3.042 20 30 CGEDHM CC#CC[C@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745246 817710954 /nfs/dbraw/zinc/71/09/54/817710954.db2.gz LGIPRSWQSILVBW-NSHDSACASA-N -1 3 273.292 3.042 20 30 CGEDHM N#CC[C@@H](Oc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227981068 817771705 /nfs/dbraw/zinc/77/17/05/817771705.db2.gz SELLSXGTVNXTQN-CYBMUJFWSA-N -1 3 274.707 3.474 20 30 CGEDHM C#C[C@H](CCCCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854609 818022883 /nfs/dbraw/zinc/02/28/83/818022883.db2.gz UQSIPHYBUBFTGX-CYBMUJFWSA-N -1 3 272.344 3.482 20 30 CGEDHM CC#CC[C@@H](CC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228853344 818022960 /nfs/dbraw/zinc/02/29/60/818022960.db2.gz HUCIRHICKHBRRJ-GFCCVEGCSA-N -1 3 258.317 3.092 20 30 CGEDHM C=C(C)C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)C(=C)C ZINC001231122602 818035690 /nfs/dbraw/zinc/03/56/90/818035690.db2.gz VMSSQSSUILHIRQ-CQSZACIVSA-N -1 3 270.336 3.156 20 30 CGEDHM C=C(C)C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)C(=C)C ZINC001231122602 818035695 /nfs/dbraw/zinc/03/56/95/818035695.db2.gz VMSSQSSUILHIRQ-CQSZACIVSA-N -1 3 270.336 3.156 20 30 CGEDHM C#CCN(C)Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC001231679463 818157169 /nfs/dbraw/zinc/15/71/69/818157169.db2.gz KWEWHWFITQWBGW-UHFFFAOYSA-N -1 3 279.339 3.117 20 30 CGEDHM Cc1cc([O-])c(CN2CCCC[C@H]2C#N)cc1Cl ZINC001231870573 818193668 /nfs/dbraw/zinc/19/36/68/818193668.db2.gz JZVROVOMYSTRFL-LBPRGKRZSA-N -1 3 264.756 3.232 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCC(F)(F)C1 ZINC001233530020 818633637 /nfs/dbraw/zinc/63/36/37/818633637.db2.gz IWEQLCYRZFNHBQ-SNVBAGLBSA-N -1 3 265.259 3.350 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCc2cccnc21 ZINC001233524903 818633696 /nfs/dbraw/zinc/63/36/96/818633696.db2.gz RKONNKHCJXNKQZ-MRXNPFEDSA-N -1 3 278.311 3.244 20 30 CGEDHM CCC[C@@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233800007 818707457 /nfs/dbraw/zinc/70/74/57/818707457.db2.gz MXYBTJVLTPHBPN-JXCQQFQQSA-N -1 3 251.326 3.461 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)C1CCCC1 ZINC001233803284 818708025 /nfs/dbraw/zinc/70/80/25/818708025.db2.gz MTVNKBZNXHYRBW-YAFRSCOQSA-N -1 3 263.337 3.461 20 30 CGEDHM [O-]c1cc(F)cc(OC(C(F)(F)F)C(F)(F)F)c1 ZINC001233820979 818712346 /nfs/dbraw/zinc/71/23/46/818712346.db2.gz WQQQFRWWTDYERY-UHFFFAOYSA-N -1 3 278.123 3.403 20 30 CGEDHM CC(C)[C@H](Oc1cc([O-])cc(C#N)c1)C(F)(F)F ZINC001234141643 818788413 /nfs/dbraw/zinc/78/84/13/818788413.db2.gz PVXGYQKSOZJJKM-NSHDSACASA-N -1 3 259.227 3.230 20 30 CGEDHM C[C@H](COc1ccccc1)Oc1cc([O-])cc(C#N)c1 ZINC001234138576 818788792 /nfs/dbraw/zinc/78/87/92/818788792.db2.gz AUWZKDQXDWIRGQ-GFCCVEGCSA-N -1 3 269.300 3.110 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1cc([O-])cc(C#N)c1 ZINC001234144408 818790439 /nfs/dbraw/zinc/79/04/39/818790439.db2.gz NMSBUSAOQFIVMN-AWEZNQCLSA-N -1 3 255.317 3.247 20 30 CGEDHM N#C[C@H]1CC[C@@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234263471 818819797 /nfs/dbraw/zinc/81/97/97/818819797.db2.gz BQCSCOHYMYDIAP-JGVFFNPUSA-N -1 3 255.676 3.256 20 30 CGEDHM N#C[C@@H]1CC[C@@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234263469 818819859 /nfs/dbraw/zinc/81/98/59/818819859.db2.gz BQCSCOHYMYDIAP-HTQZYQBOSA-N -1 3 255.676 3.256 20 30 CGEDHM N#C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1F ZINC001234453778 818858987 /nfs/dbraw/zinc/85/89/87/818858987.db2.gz ZDHFPPLWJAXQSE-CYBMUJFWSA-N -1 3 283.262 3.051 20 30 CGEDHM C[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234510714 818870565 /nfs/dbraw/zinc/87/05/65/818870565.db2.gz DRVYZBFKLVZVFN-UMSPYCQHSA-N -1 3 283.331 3.165 20 30 CGEDHM N#Cc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1F ZINC001235889929 819198023 /nfs/dbraw/zinc/19/80/23/819198023.db2.gz KXDWLNZWGREWSR-UHFFFAOYSA-N -1 3 299.252 3.462 20 30 CGEDHM N#CCCN(Cc1occc1[S-])C1CCCC1 ZINC001237177970 819687604 /nfs/dbraw/zinc/68/76/04/819687604.db2.gz HCQCFVIOUXWBSD-UHFFFAOYSA-N -1 3 250.367 3.227 20 30 CGEDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(S)CC1 ZINC001237622668 819788237 /nfs/dbraw/zinc/78/82/37/819788237.db2.gz WPCZWBGPXOJBPO-UHFFFAOYSA-N -1 3 275.776 3.079 20 30 CGEDHM N#Cc1cc(-c2ccc(C(F)(F)F)cc2[O-])cnc1F ZINC001243612096 823467242 /nfs/dbraw/zinc/46/72/42/823467242.db2.gz RNGRMLKKLGJHQO-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM CC(=O)Nc1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001239530537 820381732 /nfs/dbraw/zinc/38/17/32/820381732.db2.gz DPBSUSRUVXKTEI-RQZCQDPDSA-N -1 3 272.279 3.259 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccc3n[nH]cc3c2)cc1F ZINC001240214604 820884163 /nfs/dbraw/zinc/88/41/63/820884163.db2.gz XRCYRTRBPDBHTF-CAOOACKPSA-N -1 3 255.252 3.177 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccc(-n3cccn3)cc2)cc1F ZINC001241394158 821792276 /nfs/dbraw/zinc/79/22/76/821792276.db2.gz ITBHEGWMUVJFRC-YBFXNURJSA-N -1 3 281.290 3.487 20 30 CGEDHM Cc1cc2n[nH]cc2cc1-c1cc(/C=N/[O-])ccc1F ZINC001242285092 822937996 /nfs/dbraw/zinc/93/79/96/822937996.db2.gz PBJUNMDSQFUZDX-CNHKJKLMSA-N -1 3 269.279 3.486 20 30 CGEDHM Cc1cc(C#N)ccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001242476404 823005589 /nfs/dbraw/zinc/00/55/89/823005589.db2.gz OWJOSCCVQCLWIJ-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1cc(C#N)ccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001242476404 823005591 /nfs/dbraw/zinc/00/55/91/823005591.db2.gz OWJOSCCVQCLWIJ-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM N#Cc1cc(-c2ccc(N3CCCC3=O)cc2)ccc1[O-] ZINC001242564503 823034209 /nfs/dbraw/zinc/03/42/09/823034209.db2.gz CZZQWLKCOJFPFG-UHFFFAOYSA-N -1 3 278.311 3.058 20 30 CGEDHM COc1ccnc2ccc(-c3ccc([O-])c(C#N)c3)cc21 ZINC001242565211 823035356 /nfs/dbraw/zinc/03/53/56/823035356.db2.gz QXCLMGPJGLTEIQ-UHFFFAOYSA-N -1 3 276.295 3.488 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccccc1)c1cccc(F)n1 ZINC001343312961 936494513 /nfs/dbraw/zinc/49/45/13/936494513.db2.gz SJJDLGUTPLSORA-XPSMFNQNSA-N -1 3 266.275 3.110 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(Cl)s1 ZINC001347337607 936880152 /nfs/dbraw/zinc/88/01/52/936880152.db2.gz KLOHYPGPUJXSDT-QMMMGPOBSA-N -1 3 279.752 3.108 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccs1)c1cccc(F)n1 ZINC001357580060 937174455 /nfs/dbraw/zinc/17/44/55/937174455.db2.gz IBXCQWRQZVNZEW-JMEBYUIHSA-N -1 3 272.304 3.172 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1cccc2ccccc21 ZINC001452772930 937398824 /nfs/dbraw/zinc/39/88/24/937398824.db2.gz FRIXAJXYKLHXLT-UHFFFAOYSA-N -1 3 269.344 3.396 20 30 CGEDHM Cc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001458000721 937448477 /nfs/dbraw/zinc/44/84/77/937448477.db2.gz BVRKZSYEKDSIAU-UHFFFAOYSA-N -1 3 290.750 3.004 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@@H]1OCCc2ccccc21 ZINC001458009399 937448823 /nfs/dbraw/zinc/44/88/23/937448823.db2.gz DKPGKJDRKCUHLV-INIZCTEOSA-N -1 3 291.391 3.489 20 30 CGEDHM C#CC[C@@H](CC)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354377 932139060 /nfs/dbraw/zinc/13/90/60/932139060.db2.gz XXBHNYHTAKQZFP-SECBINFHSA-N -1 3 278.402 3.469 20 30 CGEDHM C#C[C@H](CCC)Oc1nc(=S)[n-]c2sccc21 ZINC001229570906 932173563 /nfs/dbraw/zinc/17/35/63/932173563.db2.gz WXKBMDFFZRCDIV-MRVPVSSYSA-N -1 3 264.375 3.161 20 30 CGEDHM O=C1C=C[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229937024 932505425 /nfs/dbraw/zinc/50/54/25/932505425.db2.gz JBBXLAWSIDEHBM-IYSPOMMRSA-N -1 3 293.322 3.419 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN1c1ccccc1 ZINC001306897091 932892741 /nfs/dbraw/zinc/89/27/41/932892741.db2.gz YPQOUDIFWWUUBZ-MRXNPFEDSA-N -1 3 290.407 3.454 20 30 CGEDHM CCCCN([O-])C(=O)CCCOc1ccc(F)cc1F ZINC001306897485 932893304 /nfs/dbraw/zinc/89/33/04/932893304.db2.gz OOXQYLKHVPJWCA-UHFFFAOYSA-N -1 3 287.306 3.142 20 30 CGEDHM CC(C)OCCC(=O)N([O-])CCCCc1ccccc1 ZINC001472620262 937778644 /nfs/dbraw/zinc/77/86/44/937778644.db2.gz VMISEVPPTIWPLD-UHFFFAOYSA-N -1 3 279.380 3.042 20 30 CGEDHM O=C([C@@H]1CC12CCCC2)N([O-])Cc1ccc(F)cc1 ZINC001333200994 935516609 /nfs/dbraw/zinc/51/66/09/935516609.db2.gz ARUIONCDMQLAHC-ZDUSSCGKSA-N -1 3 263.312 3.124 20 30 CGEDHM C#C[C@@](C)(CC)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001556664432 938205121 /nfs/dbraw/zinc/20/51/21/938205121.db2.gz OKIMIHWJDOMUME-KRWDZBQOSA-N -1 3 267.328 3.077 20 30 CGEDHM C#C[C@@H](CC)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001568621303 961621286 /nfs/dbraw/zinc/62/12/86/961621286.db2.gz MBRYKRZVGGHWJE-INIZCTEOSA-N -1 3 293.366 3.125 20 30 CGEDHM Cc1ccc(S[C@@H](C#N)C2CCCC2)c(-c2nnn[n-]2)c1 ZINC001581213198 962754252 /nfs/dbraw/zinc/75/42/52/962754252.db2.gz GHIFHLIAXZYKCG-AWEZNQCLSA-N -1 3 299.403 3.350 20 30 CGEDHM Cc1ccc(S[C@@H](C#N)C2CCCC2)c(-c2nn[n-]n2)c1 ZINC001581213198 962754265 /nfs/dbraw/zinc/75/42/65/962754265.db2.gz GHIFHLIAXZYKCG-AWEZNQCLSA-N -1 3 299.403 3.350 20 30 CGEDHM C=C(C)CCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588423960 963267899 /nfs/dbraw/zinc/26/78/99/963267899.db2.gz DVEYOSXWHWXBSB-UHFFFAOYSA-N -1 3 297.284 3.264 20 30 CGEDHM C=C(C)CCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588423960 963267910 /nfs/dbraw/zinc/26/79/10/963267910.db2.gz DVEYOSXWHWXBSB-UHFFFAOYSA-N -1 3 297.284 3.264 20 30 CGEDHM C=CC(C)(C)CCNc1cc(C(C)=O)ccc1-c1nnn[n-]1 ZINC001588488651 963275401 /nfs/dbraw/zinc/27/54/01/963275401.db2.gz KPSQVBMDJWAWKI-UHFFFAOYSA-N -1 3 299.378 3.084 20 30 CGEDHM C=CC(C)(C)CCNc1cc(C(C)=O)ccc1-c1nn[n-]n1 ZINC001588488651 963275409 /nfs/dbraw/zinc/27/54/09/963275409.db2.gz KPSQVBMDJWAWKI-UHFFFAOYSA-N -1 3 299.378 3.084 20 30 CGEDHM C=CCC(C)(C)CNc1cc(F)ccc1-c1nnn[n-]1 ZINC001588539707 963281265 /nfs/dbraw/zinc/28/12/65/963281265.db2.gz VXCYWUOTQPOFNF-UHFFFAOYSA-N -1 3 275.331 3.020 20 30 CGEDHM C=CCC(C)(C)CNc1cc(F)ccc1-c1nn[n-]n1 ZINC001588539707 963281279 /nfs/dbraw/zinc/28/12/79/963281279.db2.gz VXCYWUOTQPOFNF-UHFFFAOYSA-N -1 3 275.331 3.020 20 30 CGEDHM C=CCCCN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621875935 349600102 /nfs/dbraw/zinc/60/01/02/349600102.db2.gz IFKWTKJMASULRH-UHFFFAOYSA-N -1 3 287.281 3.449 20 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CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000361195439 381660050 /nfs/dbraw/zinc/66/00/50/381660050.db2.gz IJMHYPDKPYZVET-YPMHNXCESA-N -1 3 282.347 3.048 20 30 CGEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(Cl)ccn2)c(F)c1 ZINC000335251676 208031403 /nfs/dbraw/zinc/03/14/03/208031403.db2.gz ANAISPNUAVKGPH-UHFFFAOYSA-N -1 3 293.660 3.137 20 30 CGEDHM C[C@@H]1CCN(C(=O)c2ccc(C#N)o2)c2c([O-])cccc21 ZINC000335772765 392816317 /nfs/dbraw/zinc/81/63/17/392816317.db2.gz METFLBSWZAADDG-SNVBAGLBSA-N -1 3 282.299 3.011 20 30 CGEDHM C=C(C)C[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000274323391 393285009 /nfs/dbraw/zinc/28/50/09/393285009.db2.gz AXUPLSBSOQENRH-GFCCVEGCSA-N -1 3 259.349 3.274 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccc2nc(CC)sc2c1 ZINC000647136556 393345239 /nfs/dbraw/zinc/34/52/39/393345239.db2.gz UIVKOGYMPTVDLE-UHFFFAOYSA-N -1 3 296.417 3.177 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1c(Cl)cccc1CC ZINC000417621360 393350970 /nfs/dbraw/zinc/35/09/70/393350970.db2.gz FPZXXGGOAPFRFQ-GFCCVEGCSA-N -1 3 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330982572 /nfs/dbraw/zinc/98/25/72/330982572.db2.gz MGNXFPNTXHFSDE-UHFFFAOYSA-N -1 3 281.355 3.008 20 30 CGEDHM C=CCCc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000453240427 331105954 /nfs/dbraw/zinc/10/59/54/331105954.db2.gz UGRKICCEBKTILU-UHFFFAOYSA-N -1 3 270.332 3.440 20 30 CGEDHM C#C[C@H](NCc1nc(C)ccc1[O-])c1ccc(Cl)cc1 ZINC000491772262 332338692 /nfs/dbraw/zinc/33/86/92/332338692.db2.gz QGLWUADAVIJELB-AWEZNQCLSA-N -1 3 286.762 3.213 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000539844125 333698027 /nfs/dbraw/zinc/69/80/27/333698027.db2.gz BHPXHUCQRBKZDU-PXAZEXFGSA-N -1 3 286.375 3.157 20 30 CGEDHM CCc1cccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1[O-] ZINC000578079515 335482498 /nfs/dbraw/zinc/48/24/98/335482498.db2.gz UPIQUQYPSGIQAJ-CQSZACIVSA-N -1 3 286.375 3.109 20 30 CGEDHM COc1cccc([O-])c1/C=N/Cc1cc(F)ccc1F ZINC000729641503 571926592 /nfs/dbraw/zinc/92/65/92/571926592.db2.gz KLSRDXLPJVPJPZ-GIJQJNRQSA-N -1 3 277.270 3.298 20 30 CGEDHM Cc1c(C(=O)/C=C\c2cccc([O-])c2)c(C#N)c2n1CCC2 ZINC000730084791 571948209 /nfs/dbraw/zinc/94/82/09/571948209.db2.gz HMXRPGJCOHFMDQ-FPLPWBNLSA-N -1 3 292.338 3.216 20 30 CGEDHM CC(=NOCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000746588069 571975194 /nfs/dbraw/zinc/97/51/94/571975194.db2.gz JWWCKVUPHGVGMB-UHFFFAOYSA-N -1 3 276.723 3.381 20 30 CGEDHM Cc1ccc([C@H](C)C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000737440750 572343067 /nfs/dbraw/zinc/34/30/67/572343067.db2.gz NZCYCPWEPRUDDY-BUESGFEBSA-N -1 3 298.386 3.119 20 30 CGEDHM CN(Cc1cccc(C#N)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737486662 572347193 /nfs/dbraw/zinc/34/71/93/572347193.db2.gz FBPNGWVJNKGKRW-UHFFFAOYSA-N -1 3 298.317 3.028 20 30 CGEDHM CC[C@@H]1CCC[C@@H](/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000740763606 572455544 /nfs/dbraw/zinc/45/55/44/572455544.db2.gz MMTGAXWWDPHWFD-ARHGCVOOSA-N -1 3 263.337 3.191 20 30 CGEDHM CC[C@H](/N=C\c1c([O-])cccc1OC)c1ccncc1 ZINC000741466046 572500719 /nfs/dbraw/zinc/50/07/19/572500719.db2.gz BVPPOQSDURUIJI-DZBQEORWSA-N -1 3 270.332 3.366 20 30 CGEDHM COc1cccc([O-])c1/C=N\C[C@H]1OCCc2ccccc21 ZINC000733081158 572506909 /nfs/dbraw/zinc/50/69/09/572506909.db2.gz PRBDIZMWZXOEGM-NPBUNYCVSA-N -1 3 297.354 3.134 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC000741845726 572534774 /nfs/dbraw/zinc/53/47/74/572534774.db2.gz VXEDKZKFUYGDDL-OVFSHCJGSA-N -1 3 275.348 3.191 20 30 CGEDHM CC(C)CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000726366348 572574021 /nfs/dbraw/zinc/57/40/21/572574021.db2.gz YDQGEHIWKIDXHD-CQSZACIVSA-N -1 3 269.344 3.042 20 30 CGEDHM CCOc1ccc(/C=N\C[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000733904139 572612051 /nfs/dbraw/zinc/61/20/51/572612051.db2.gz UYDDCPYDUJBCCO-IZILLXMLSA-N -1 3 299.370 3.118 20 30 CGEDHM N#CC(=C([O-])C=CC1CC1)c1ccc2ccccc2n1 ZINC000744015252 572697327 /nfs/dbraw/zinc/69/73/27/572697327.db2.gz KUQCJRVULHZDJH-RNVIBTMRSA-N -1 3 262.312 3.377 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000735208235 572708783 /nfs/dbraw/zinc/70/87/83/572708783.db2.gz KWSKYFFDYABLMB-VKJYCEFSSA-N -1 3 290.750 3.344 20 30 CGEDHM CC(=NN=C1C[C@@H](C)c2c1c([O-])ccc2F)c1cnccn1 ZINC000745209268 572807441 /nfs/dbraw/zinc/80/74/41/572807441.db2.gz SHDYECJNEYTELC-SECBINFHSA-N -1 3 298.321 3.042 20 30 CGEDHM CCOc1ccc(/C=N\[C@@H](CC)C2CCOCC2)c([O-])c1 ZINC000746393888 572869441 /nfs/dbraw/zinc/86/94/41/572869441.db2.gz LYPIEDMBNKKBHW-JIHKLPAASA-N -1 3 291.391 3.415 20 30 CGEDHM C=CC[C@@H](NC(=O)c1cc(C)ccc1[O-])c1ccncc1 ZINC000750191635 573099649 /nfs/dbraw/zinc/09/96/49/573099649.db2.gz VVAOCBZTUBMPOI-OAHLLOKOSA-N -1 3 282.343 3.143 20 30 CGEDHM CCn1cnc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)c1 ZINC000899345931 620645622 /nfs/dbraw/zinc/64/56/22/620645622.db2.gz YPEXNKMWUDBOFQ-NJQKBMNKSA-N -1 3 286.306 3.131 20 30 CGEDHM CC1(C)C(C(=O)N([O-])Cc2ccc(F)cc2)C1(C)C ZINC000901376509 620868602 /nfs/dbraw/zinc/86/86/02/620868602.db2.gz UXHYVDQZZAGULM-UHFFFAOYSA-N -1 3 265.328 3.226 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cn(C)nc2C2CC2)ccc1[O-] ZINC000899353093 620648958 /nfs/dbraw/zinc/64/89/58/620648958.db2.gz ISPSTVLIYIEXOC-VURMDHGXSA-N -1 3 282.343 3.208 20 30 CGEDHM N#Cc1cccc(SCc2ccccc2-c2nnn[n-]2)c1 ZINC000822837360 606326002 /nfs/dbraw/zinc/32/60/02/606326002.db2.gz LGNVXBGEAIZAOK-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1cccc(SCc2ccccc2-c2nn[n-]n2)c1 ZINC000822837360 606326004 /nfs/dbraw/zinc/32/60/04/606326004.db2.gz LGNVXBGEAIZAOK-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM O=C(/C=C/c1ccc([O-])cc1F)c1cnn(C2CCC2)c1 ZINC000899400989 620692442 /nfs/dbraw/zinc/69/24/42/620692442.db2.gz QFQAJTGRCJNOJX-FNORWQNLSA-N -1 3 286.306 3.349 20 30 CGEDHM C=C(Cl)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823883573 607843392 /nfs/dbraw/zinc/84/33/92/607843392.db2.gz UOSZONHCYXILLU-UHFFFAOYSA-N -1 3 287.175 3.365 20 30 CGEDHM C=C(Cl)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823883573 607843393 /nfs/dbraw/zinc/84/33/93/607843393.db2.gz UOSZONHCYXILLU-UHFFFAOYSA-N -1 3 287.175 3.365 20 30 CGEDHM C#CCCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823841647 608265136 /nfs/dbraw/zinc/26/51/36/608265136.db2.gz RKYFJRZGUBOPSL-UHFFFAOYSA-N -1 3 278.768 3.026 20 30 CGEDHM C#CCCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823841647 608265137 /nfs/dbraw/zinc/26/51/37/608265137.db2.gz RKYFJRZGUBOPSL-UHFFFAOYSA-N -1 3 278.768 3.026 20 30 CGEDHM O=C(C[C@@H]1CCCC1(F)F)N([O-])Cc1ccc(F)cc1 ZINC000900678038 620806146 /nfs/dbraw/zinc/80/61/46/620806146.db2.gz FSWSZTVEAWHAHX-NSHDSACASA-N -1 3 287.281 3.369 20 30 CGEDHM COc1cc(C(=O)/C=C/c2cc(C#N)cs2)ccc1[O-] ZINC000176840120 618744304 /nfs/dbraw/zinc/74/43/04/618744304.db2.gz LLMUWSANXVSHHJ-HWKANZROSA-N -1 3 285.324 3.230 20 30 CGEDHM CCCCCCCS(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000194807005 619143324 /nfs/dbraw/zinc/14/33/24/619143324.db2.gz NNLKQOFIHRSWEG-UHFFFAOYSA-N -1 3 297.424 3.066 20 30 CGEDHM Cc1cc([O-])c(CN2CCC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000840938654 619227842 /nfs/dbraw/zinc/22/78/42/619227842.db2.gz FEZADDGSLQNJJW-HNNXBMFYSA-N -1 3 278.783 3.480 20 30 CGEDHM CCOc1cc(CN2CCC[C@@H](C#N)C2)cc(Cl)c1[O-] ZINC000896506909 620019602 /nfs/dbraw/zinc/01/96/02/620019602.db2.gz WCJUJKQMUNGDAS-NSHDSACASA-N -1 3 294.782 3.180 20 30 CGEDHM C=CCCO[N-]C(=O)CC(C)(C)c1ccc(F)cc1 ZINC000869283028 620105357 /nfs/dbraw/zinc/10/53/57/620105357.db2.gz XUYKQLLIASUBTG-UHFFFAOYSA-N -1 3 265.328 3.117 20 30 CGEDHM C=CCO[N-]C(=O)CCCc1ccc(C2CC2)cc1 ZINC000897924277 620449984 /nfs/dbraw/zinc/44/99/84/620449984.db2.gz NIJDNNBXKKVFGH-UHFFFAOYSA-N -1 3 259.349 3.121 20 30 CGEDHM [O-]c1ccc(C=NNC2CCC(F)(F)CC2)cc1F ZINC000901341845 620857723 /nfs/dbraw/zinc/85/77/23/620857723.db2.gz QAASAWQDVHIZGM-UHFFFAOYSA-N -1 3 272.270 3.033 20 30 CGEDHM Cc1ncoc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369964 620865918 /nfs/dbraw/zinc/86/59/18/620865918.db2.gz MHVOUBBXGPRPNF-UHFFFAOYSA-N -1 3 282.299 3.168 20 30 CGEDHM CC(C)c1nc(C(=O)N([O-])Cc2ccc(F)cc2)cs1 ZINC000901374058 620868225 /nfs/dbraw/zinc/86/82/25/620868225.db2.gz CMUJKKXCZFVRQL-UHFFFAOYSA-N -1 3 294.351 3.437 20 30 CGEDHM O=C(C1CSC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178777 621881403 /nfs/dbraw/zinc/88/14/03/621881403.db2.gz UGPKOIXYODOTPD-UHFFFAOYSA-N -1 3 292.187 3.074 20 30 CGEDHM O=C(C1CC=CC1)N([O-])Cc1ccccc1Cl ZINC000904188824 621886622 /nfs/dbraw/zinc/88/66/22/621886622.db2.gz PGIAYPJGKYGQCW-UHFFFAOYSA-N -1 3 251.713 3.024 20 30 CGEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000904192159 621887341 /nfs/dbraw/zinc/88/73/41/621887341.db2.gz BZXDMAKPRBZNGT-SMDDNHRTSA-N -1 3 297.782 3.263 20 30 CGEDHM C[C@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CCO1 ZINC000904197580 621888241 /nfs/dbraw/zinc/88/82/41/621888241.db2.gz IALBBRPZXUNEOP-GOEBONIOSA-N -1 3 291.391 3.042 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000904213304 621890794 /nfs/dbraw/zinc/89/07/94/621890794.db2.gz NZOUDZDCNRJBCD-GWCFXTLKSA-N -1 3 283.393 3.016 20 30 CGEDHM CC(C)O[C@@]1(C/N=C/c2cc(Cl)ccc2[O-])CCOC1 ZINC000905002713 622027655 /nfs/dbraw/zinc/02/76/55/622027655.db2.gz KTADGEWJHOQVQC-LJZSXMKHSA-N -1 3 297.782 3.049 20 30 CGEDHM CC(=NN[C@H]1CCCSC1)c1ccc([O-])cc1Cl ZINC000905496771 622082261 /nfs/dbraw/zinc/08/22/61/622082261.db2.gz FWTVJMJRIZCLFM-JTQLQIEISA-N -1 3 284.812 3.255 20 30 CGEDHM N#CCc1ccc(NCc2ccc([O-])c(F)c2)cc1 ZINC000232421935 623386393 /nfs/dbraw/zinc/38/63/93/623386393.db2.gz JJCAHVQUCBULBL-UHFFFAOYSA-N -1 3 256.280 3.209 20 30 CGEDHM C[C@@H](COCC(F)(F)F)/N=C\c1cc(Cl)ccc1[O-] ZINC000921261385 624578116 /nfs/dbraw/zinc/57/81/16/624578116.db2.gz MXFPNASATGNXCM-VORZHIMUSA-N -1 3 295.688 3.432 20 30 CGEDHM CSc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000254928054 625942615 /nfs/dbraw/zinc/94/26/15/625942615.db2.gz SDBBYXALVXDZFA-UHFFFAOYSA-N -1 3 275.329 3.276 20 30 CGEDHM CCc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1F ZINC000751523329 626393882 /nfs/dbraw/zinc/39/38/82/626393882.db2.gz LUSRTFZHODLRCS-UHFFFAOYSA-N -1 3 288.322 3.040 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2ccccc2C#N)ccc1[O-] ZINC000755593963 626630373 /nfs/dbraw/zinc/63/03/73/626630373.db2.gz QSCXIIOAHDLYDS-RMKNXTFCSA-N -1 3 263.296 3.468 20 30 CGEDHM CC(=NNC1CCCC1)c1ccc(Br)cc1[O-] ZINC000756827241 626735514 /nfs/dbraw/zinc/73/55/14/626735514.db2.gz SIJBETVIFZJQCV-UHFFFAOYSA-N -1 3 297.196 3.411 20 30 CGEDHM [O-]c1ccc(F)cc1C=NOCc1ccc(F)cc1 ZINC000758141942 626830515 /nfs/dbraw/zinc/83/05/15/626830515.db2.gz AOFNVBQTFYKKIK-UHFFFAOYSA-N -1 3 263.243 3.221 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1ccc(F)cc1 ZINC000766284443 627312680 /nfs/dbraw/zinc/31/26/80/627312680.db2.gz SLBYWQJRLOKASF-VHXYRJIDSA-N -1 3 293.725 3.337 20 30 CGEDHM CCOc1ccc(C=NNc2cccc(C#N)c2)c([O-])c1 ZINC000767335828 627399020 /nfs/dbraw/zinc/39/90/20/627399020.db2.gz GRRUUBBRPPAJGV-UHFFFAOYSA-N -1 3 281.315 3.109 20 30 CGEDHM C[C@@H](C#N)CN(Cc1c([O-])cccc1Cl)C1CC1 ZINC000769545995 627564510 /nfs/dbraw/zinc/56/45/10/627564510.db2.gz SYGRIAALLNFIMS-JTQLQIEISA-N -1 3 264.756 3.170 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C2=CCCCCC2)nc(C)n1 ZINC000773971943 627933739 /nfs/dbraw/zinc/93/37/39/627933739.db2.gz LYJIWUJWCDZOLE-AWEZNQCLSA-N -1 3 269.348 3.160 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCCCc2ccccc2)c1 ZINC000776273441 628187483 /nfs/dbraw/zinc/18/74/83/628187483.db2.gz GGPGJISTHATODD-UHFFFAOYSA-N -1 3 281.311 3.053 20 30 CGEDHM N#CCC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000781926504 628605776 /nfs/dbraw/zinc/60/57/76/628605776.db2.gz GBLJZEGNHGUPEN-UHFFFAOYSA-N -1 3 282.746 3.310 20 30 CGEDHM N#Cc1cc(F)ccc1COC(=O)c1cc2occc2[n-]1 ZINC000786032818 628908910 /nfs/dbraw/zinc/90/89/10/628908910.db2.gz WPGHSZSQBNWELR-UHFFFAOYSA-N -1 3 284.246 3.129 20 30 CGEDHM [O-]c1ccc(C=NNc2cccc(Cl)n2)cc1F ZINC000793181384 629424571 /nfs/dbraw/zinc/42/45/71/629424571.db2.gz ORKPDGHBPVASSX-UHFFFAOYSA-N -1 3 265.675 3.026 20 30 CGEDHM C[C@H]1CCCCN1N=Cc1c([O-])cccc1Br ZINC000863126511 629481630 /nfs/dbraw/zinc/48/16/30/629481630.db2.gz KCBHJHGUKQZWJJ-JTQLQIEISA-N -1 3 297.196 3.363 20 30 CGEDHM [O-]c1ccc(F)c(C=NNCc2ccc(F)cc2F)c1F ZINC000794505426 629548563 /nfs/dbraw/zinc/54/85/63/629548563.db2.gz BJLAVKZEHBQBQZ-UHFFFAOYSA-N -1 3 298.239 3.072 20 30 CGEDHM Cc1cncc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794944782 629603855 /nfs/dbraw/zinc/60/38/55/629603855.db2.gz ICAGURYMUYSFEF-RQOWECAXSA-N -1 3 275.254 3.270 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CO[C@H](C2CC2)C1 ZINC000864346045 629815262 /nfs/dbraw/zinc/81/52/62/629815262.db2.gz MSQARJAGRXPNNF-HFXQRLRDSA-N -1 3 265.740 3.032 20 30 CGEDHM C=C(Cl)C[C@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000864518938 629853253 /nfs/dbraw/zinc/85/32/53/629853253.db2.gz ZBPVUGNMJNRKRB-NSHDSACASA-N -1 3 274.147 3.025 20 30 CGEDHM CO[C@@](C)(C/N=C\c1cc(Cl)ccc1[O-])C1CC1 ZINC000812445374 631261407 /nfs/dbraw/zinc/26/14/07/631261407.db2.gz WKLZGLSAROOOIY-XTIFCCNPSA-N -1 3 267.756 3.280 20 30 CGEDHM C=CCO[N-]C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000837045814 634847104 /nfs/dbraw/zinc/84/71/04/634847104.db2.gz BAPDQBHFMQMVDQ-JTQLQIEISA-N -1 3 298.180 3.177 20 30 CGEDHM CC(C)CN(CCC#N)Cc1ccc(F)c(F)c1[O-] ZINC000876529317 634852015 /nfs/dbraw/zinc/85/20/15/634852015.db2.gz FSKMTBJANCPKOE-UHFFFAOYSA-N -1 3 268.307 3.042 20 30 CGEDHM [O-]c1c(C=NOCc2cccnc2)ccc2ccccc21 ZINC000814884264 631664058 /nfs/dbraw/zinc/66/40/58/631664058.db2.gz TWMMGOZNWNIFEE-UHFFFAOYSA-N -1 3 278.311 3.491 20 30 CGEDHM [O-]c1c(C=NNC[C@@H]2CCSC2)ccc2ccccc21 ZINC000814935061 631689354 /nfs/dbraw/zinc/68/93/54/631689354.db2.gz GWFVPXWFKFONSY-LBPRGKRZSA-N -1 3 286.400 3.222 20 30 CGEDHM CSc1ccc([O-])c(C(=O)N(CCC#N)CC(C)C)c1 ZINC000824234448 633214971 /nfs/dbraw/zinc/21/49/71/633214971.db2.gz KHLIUBSGNHPBLL-UHFFFAOYSA-N -1 3 292.404 3.126 20 30 CGEDHM N#CC[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000826861809 633438373 /nfs/dbraw/zinc/43/83/73/633438373.db2.gz KBEPGRDUEBNOLI-SNVBAGLBSA-N -1 3 282.746 3.310 20 30 CGEDHM CCOC1CC2(C[C@@H]2/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000871598541 633800817 /nfs/dbraw/zinc/80/08/17/633800817.db2.gz SRFLSQFXBDQAIM-LUOIOSLUSA-N -1 3 279.767 3.422 20 30 CGEDHM C=CCC1(C(=O)[N-]OC/C=C/Cl)CCCCC1 ZINC000832273465 634040496 /nfs/dbraw/zinc/04/04/96/634040496.db2.gz SPEZUGBCZXTPCQ-UXBLZVDNSA-N -1 3 257.761 3.313 20 30 CGEDHM CCO[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000840708943 635037693 /nfs/dbraw/zinc/03/76/93/635037693.db2.gz GDPNEDNDBDCRRF-BGYOFBTKSA-N -1 3 267.756 3.422 20 30 CGEDHM C#CC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000844005032 635805781 /nfs/dbraw/zinc/80/57/81/635805781.db2.gz HNPZAEIMKPVYQI-LBPRGKRZSA-N -1 3 299.395 3.482 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nnc(C(CC)CC)s1 ZINC000844494355 635918489 /nfs/dbraw/zinc/91/84/89/635918489.db2.gz RZJQGTBXFWALLF-QMMMGPOBSA-N -1 3 284.385 3.069 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000844654698 635950590 /nfs/dbraw/zinc/95/05/90/635950590.db2.gz RTKMZWFAGGJGKX-JTQLQIEISA-N -1 3 295.408 3.430 20 30 CGEDHM C=C(C)CO[N-]C(=O)C1(Cc2ccccc2)CCC1 ZINC000846536478 636194208 /nfs/dbraw/zinc/19/42/08/636194208.db2.gz MTYDWVUZDHRBIR-UHFFFAOYSA-N -1 3 259.349 3.023 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1ccc(OCCC)cc1 ZINC000846537041 636194959 /nfs/dbraw/zinc/19/49/59/636194959.db2.gz GPWHAJSISHNCOT-UHFFFAOYSA-N -1 3 277.364 3.032 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cc3n(n2)CCCC3)ccc1[O-] ZINC000848640713 636626531 /nfs/dbraw/zinc/62/65/31/636626531.db2.gz RFZWJFKDGNTCRS-VURMDHGXSA-N -1 3 282.343 3.130 20 30 CGEDHM CC1(C)C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CO1 ZINC000849169690 636761952 /nfs/dbraw/zinc/76/19/52/636761952.db2.gz HIWSHJLFGKNGLC-LYGDGENHSA-N -1 3 253.729 3.032 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CC[C@H]1CCCO1 ZINC000887272981 637788035 /nfs/dbraw/zinc/78/80/35/637788035.db2.gz ZMADHSRWIMGCEQ-CDCQXCROSA-N -1 3 253.729 3.034 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000856028259 638285702 /nfs/dbraw/zinc/28/57/02/638285702.db2.gz PICZSWLVQVUSMV-UHFFFAOYSA-N -1 3 274.147 3.160 20 30 CGEDHM C=CCCO[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000856027560 638286169 /nfs/dbraw/zinc/28/61/69/638286169.db2.gz QUDXVJQOPNYJOR-QQFIATSDSA-N -1 3 291.313 3.225 20 30 CGEDHM C=CCCO[N-]C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000856033615 638288246 /nfs/dbraw/zinc/28/82/46/638288246.db2.gz KBZZGZXURVVPLO-UHFFFAOYSA-N -1 3 279.302 3.369 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1ccc(Br)cc1 ZINC000856033066 638288639 /nfs/dbraw/zinc/28/86/39/638288639.db2.gz XPFNARSOUGVLKT-UHFFFAOYSA-N -1 3 298.180 3.006 20 30 CGEDHM C=CCCO[N-]C(=O)CCCOc1ccc(C)cc1C ZINC000856033075 638288698 /nfs/dbraw/zinc/28/86/98/638288698.db2.gz XQUGHYDMKROCKQ-UHFFFAOYSA-N -1 3 277.364 3.086 20 30 CGEDHM CC[C@@H](NCc1csc(C)n1)c1cccc(C#N)c1[O-] ZINC000924721488 638394517 /nfs/dbraw/zinc/39/45/17/638394517.db2.gz GQCMKWVDYFXTBP-CQSZACIVSA-N -1 3 287.388 3.270 20 30 CGEDHM C=CC[C@H]1CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000934465953 639613953 /nfs/dbraw/zinc/61/39/53/639613953.db2.gz HYMZCHCALFPACB-NSHDSACASA-N -1 3 295.342 3.232 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1cc(C)ccc1F ZINC001161826971 806465541 /nfs/dbraw/zinc/46/55/41/806465541.db2.gz REGJCLAYUGHTLI-UHFFFAOYSA-N -1 3 267.344 3.475 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001161826833 806465797 /nfs/dbraw/zinc/46/57/97/806465797.db2.gz MRVWHYYXQJAVIQ-AWEZNQCLSA-N -1 3 283.343 3.311 20 30 CGEDHM [O-]N=C(Nc1cccnc1)c1ccc(OC(F)(F)F)cc1 ZINC001163765551 806820800 /nfs/dbraw/zinc/82/08/00/806820800.db2.gz GVTYOQJTPNTVAZ-UHFFFAOYSA-N -1 3 297.236 3.228 20 30 CGEDHM C#C[C@H]([N-]c1nc([C@H](C)OC)ns1)c1ccccc1 ZINC001118186394 802535330 /nfs/dbraw/zinc/53/53/30/802535330.db2.gz FFZPIKSUIPJHSR-JQWIXIFHSA-N -1 3 273.361 3.032 20 30 CGEDHM CC[C@@H](C(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1 ZINC001182133096 810094693 /nfs/dbraw/zinc/09/46/93/810094693.db2.gz QDVXJKDHCQABDA-OAHLLOKOSA-N -1 3 280.327 3.396 20 30 CGEDHM CCCCN([O-])C(=O)c1cc(C)c(Br)s1 ZINC001184315202 810191140 /nfs/dbraw/zinc/19/11/40/810191140.db2.gz UIWHUBGDFBLTMR-UHFFFAOYSA-N -1 3 292.198 3.451 20 30 CGEDHM COc1ccc(-c2ccc(/C(C)=N/[O-])cc2)c(C#N)c1 ZINC001243732514 802972187 /nfs/dbraw/zinc/97/21/87/802972187.db2.gz VCEGRMQEQMGFPL-WOJGMQOQSA-N -1 3 266.300 3.432 20 30 CGEDHM [O-]N=Cc1ccc(F)c(-c2cccc3[nH]cnc32)c1 ZINC001243935804 803086311 /nfs/dbraw/zinc/08/63/11/803086311.db2.gz KQYDTQPZZMJYJQ-CNHKJKLMSA-N -1 3 255.252 3.177 20 30 CGEDHM N#Cc1ncc(-c2cc(OC(F)(F)F)ccc2[O-])cc1F ZINC001244458636 803379973 /nfs/dbraw/zinc/37/99/73/803379973.db2.gz CAGHJEYKZQGOJI-UHFFFAOYSA-N -1 3 298.195 3.364 20 30 CGEDHM Cc1cc(-c2ccc(CC#N)c(C)n2)cc([O-])c1F ZINC001244508152 803411559 /nfs/dbraw/zinc/41/15/59/803411559.db2.gz OUTZQXNWNRQZRL-UHFFFAOYSA-N -1 3 256.280 3.276 20 30 CGEDHM COc1ccc(-c2cc(C)c([O-])c(Cl)c2)nc1CC#N ZINC001244539203 803427250 /nfs/dbraw/zinc/42/72/50/803427250.db2.gz QRQSHTNHHPYCSC-UHFFFAOYSA-N -1 3 288.734 3.491 20 30 CGEDHM COc1cc(-c2ccc(/C(C)=N/[O-])cc2)cnc1F ZINC001245079317 803634863 /nfs/dbraw/zinc/63/48/63/803634863.db2.gz CCPWYVMJEBXESV-RQZCQDPDSA-N -1 3 260.268 3.095 20 30 CGEDHM N#Cc1cnc2ccc(-c3ccc([O-])cc3Cl)cn12 ZINC001245081563 803636839 /nfs/dbraw/zinc/63/68/39/803636839.db2.gz ITXWFSANIFAUFN-UHFFFAOYSA-N -1 3 269.691 3.232 20 30 CGEDHM CCCCCCCCCc1cc(=O)n(CCN(C)C)[n-]1 ZINC001245953496 804088493 /nfs/dbraw/zinc/08/84/93/804088493.db2.gz IRERFQLFUGIDFS-UHFFFAOYSA-N -1 3 281.444 3.443 20 30 CGEDHM N#Cc1ccc2c(c1)CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140462998 804441004 /nfs/dbraw/zinc/44/10/04/804441004.db2.gz RKWVDRLOSBRCIX-UHFFFAOYSA-N -1 3 298.773 3.476 20 30 CGEDHM C=CCn1c(SCC[C@@H]2CCC[C@@H](C)C2)n[n-]c1=O ZINC001165840464 807022654 /nfs/dbraw/zinc/02/26/54/807022654.db2.gz GAHOWLJRNVZNKN-NEPJUHHUSA-N -1 3 281.425 3.478 20 30 CGEDHM N#Cc1cnc(Nc2cc(F)cc(F)c2[O-])c(Cl)c1 ZINC001212478167 815033483 /nfs/dbraw/zinc/03/34/83/815033483.db2.gz YRUXIRYFVGXTRO-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM N#Cc1ccc(Nc2cccc([O-])c2F)c(F)c1F ZINC001212551527 815064005 /nfs/dbraw/zinc/06/40/05/815064005.db2.gz WTIANMZSZVLAIH-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1cc(NC(=O)c2ccc3cc[nH]c3c2F)ccc1[O-] ZINC001154947561 805511115 /nfs/dbraw/zinc/51/11/15/805511115.db2.gz LTMNVXGNKGITRC-UHFFFAOYSA-N -1 3 295.273 3.137 20 30 CGEDHM COCCOc1ccccc1Nc1cc(C#N)ccc1[O-] ZINC001212640371 815092482 /nfs/dbraw/zinc/09/24/82/815092482.db2.gz OAGKYNWVZOBBPX-UHFFFAOYSA-N -1 3 284.315 3.033 20 30 CGEDHM C=CCOCc1cccc(NCc2ncccc2[O-])c1 ZINC001169731707 807700192 /nfs/dbraw/zinc/70/01/92/807700192.db2.gz FYQAVUVIFVXKKD-UHFFFAOYSA-N -1 3 270.332 3.102 20 30 CGEDHM N#CCc1ccc(Cl)cc1NCc1ncccc1[O-] ZINC001169737948 807701161 /nfs/dbraw/zinc/70/11/61/807701161.db2.gz ZAZDKMPVGCYOKR-UHFFFAOYSA-N -1 3 273.723 3.119 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cccc4c3OCO4)ccc21 ZINC001242586709 823046721 /nfs/dbraw/zinc/04/67/21/823046721.db2.gz DQILDHBILAUYBW-VKAVYKQESA-N -1 3 267.284 3.207 20 30 CGEDHM COc1c(F)ccc(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001174663634 809123479 /nfs/dbraw/zinc/12/34/79/809123479.db2.gz DCFYYOOZRHDMCK-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM N#CCc1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384499 815274710 /nfs/dbraw/zinc/27/47/10/815274710.db2.gz PIITUXFJIJDOIK-UHFFFAOYSA-N -1 3 260.243 3.480 20 30 CGEDHM N#Cc1cc2cccnc2nc1Nc1c(F)cc([O-])cc1F ZINC001175094579 809268081 /nfs/dbraw/zinc/26/80/81/809268081.db2.gz JFDSRJKNAWTPFD-UHFFFAOYSA-N -1 3 298.252 3.229 20 30 CGEDHM Cc1ccc(C)c(Nc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001175431775 809402419 /nfs/dbraw/zinc/40/24/19/809402419.db2.gz MVKHWPWXEVNCGB-UHFFFAOYSA-N -1 3 290.330 3.099 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cnc(N)cc2C(F)(F)F)c1 ZINC001175717908 809519077 /nfs/dbraw/zinc/51/90/77/809519077.db2.gz WYFFUZJQOBRVIF-UHFFFAOYSA-N -1 3 294.236 3.003 20 30 CGEDHM N#Cc1cc([O-])ccc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175737953 809525228 /nfs/dbraw/zinc/52/52/28/809525228.db2.gz ADXQYNXRBPKRAB-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001301633032 809585147 /nfs/dbraw/zinc/58/51/47/809585147.db2.gz MUVBWBOCJNCBQD-WDEREUQCSA-N -1 3 279.302 3.369 20 30 CGEDHM N#Cc1cccc(O)c1Nc1cc([O-])cc(Cl)c1 ZINC001176625122 809733536 /nfs/dbraw/zinc/73/35/36/809733536.db2.gz VWFOUYUKIHMGRO-UHFFFAOYSA-N -1 3 260.680 3.366 20 30 CGEDHM N#CC1(CC(=O)Nc2ccc3[nH][n-]c(=O)c3c2)CCCCC1 ZINC001181362292 810048863 /nfs/dbraw/zinc/04/88/63/810048863.db2.gz DNCFUGQCDKCEJH-UHFFFAOYSA-N -1 3 298.346 3.071 20 30 CGEDHM CCC1(CC)C[C@H]1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001181888459 810080907 /nfs/dbraw/zinc/08/09/07/810080907.db2.gz WFAILTQJAVTGDM-LBPRGKRZSA-N -1 3 258.321 3.029 20 30 CGEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)ccc1[O-] ZINC001182285216 810102474 /nfs/dbraw/zinc/10/24/74/810102474.db2.gz JNOLUQRBCIRQEX-KBPBESRZSA-N -1 3 296.301 3.145 20 30 CGEDHM O=C(c1ccc(Cl)cn1)N([O-])Cc1ccccc1Cl ZINC001184283418 810188973 /nfs/dbraw/zinc/18/89/73/810188973.db2.gz IXSNHARTEPYASU-UHFFFAOYSA-N -1 3 297.141 3.420 20 30 CGEDHM C=Cc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001186510868 810343158 /nfs/dbraw/zinc/34/31/58/810343158.db2.gz BNSSMAFDLHXQHL-UHFFFAOYSA-N -1 3 264.284 3.159 20 30 CGEDHM CCc1ccccc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001187642485 810411209 /nfs/dbraw/zinc/41/12/09/810411209.db2.gz ZVNOCUWIDGATAA-UHFFFAOYSA-N -1 3 281.315 3.470 20 30 CGEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1[C@H](C)CC2(C)C ZINC001193148514 810860645 /nfs/dbraw/zinc/86/06/45/810860645.db2.gz AQVGEGZWKVAWNF-GHMZBOCLSA-N -1 3 292.404 3.125 20 30 CGEDHM N#Cc1cc2c(ccn2-c2ccc(Cl)cc2[O-])c(N)c1 ZINC001214411997 815406231 /nfs/dbraw/zinc/40/62/31/815406231.db2.gz YNXOBEGSYXRIHY-UHFFFAOYSA-N -1 3 283.718 3.443 20 30 CGEDHM Cc1cc(Nc2cc(C#N)ccc2[O-])cnc1OC(C)C ZINC001214942330 815466671 /nfs/dbraw/zinc/46/66/71/815466671.db2.gz DSZZIADELBVYHE-UHFFFAOYSA-N -1 3 283.331 3.498 20 30 CGEDHM Cc1ccc(CNC(=S)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001200317491 811676566 /nfs/dbraw/zinc/67/65/66/811676566.db2.gz BRQQMICMHJBPLH-UHFFFAOYSA-N -1 3 297.383 3.059 20 30 CGEDHM COc1ccc(Nc2c([O-])cccc2C(C)=O)cc1C#N ZINC001215004468 815475184 /nfs/dbraw/zinc/47/51/84/815475184.db2.gz JKNLTVNXLADRQD-UHFFFAOYSA-N -1 3 282.299 3.219 20 30 CGEDHM N#Cc1ccc(Nc2ncc(Cl)cc2[O-])c(F)c1 ZINC001201560905 811904471 /nfs/dbraw/zinc/90/44/71/811904471.db2.gz PUGWUZOVBVVTNV-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM Cc1ccc([O-])c(-c2nc(-c3cc(C#N)ccc3F)no2)c1 ZINC001215155507 815488684 /nfs/dbraw/zinc/48/86/84/815488684.db2.gz UNHOEMRMYZYRAS-UHFFFAOYSA-N -1 3 295.273 3.428 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2c(C)cccc2C)o1 ZINC001202198585 812038026 /nfs/dbraw/zinc/03/80/26/812038026.db2.gz JQIVBIBZXXVFPV-UHFFFAOYSA-N -1 3 270.292 3.116 20 30 CGEDHM N#Cc1cccc(NC(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC001202777916 812171666 /nfs/dbraw/zinc/17/16/66/812171666.db2.gz KRAWMXKVZGCFQD-UHFFFAOYSA-N -1 3 296.208 3.209 20 30 CGEDHM N#Cc1cc2cccnc2nc1Nc1cc(F)c([O-])cc1F ZINC001215570022 815536057 /nfs/dbraw/zinc/53/60/57/815536057.db2.gz LECLKZQTPNJOEA-UHFFFAOYSA-N -1 3 298.252 3.229 20 30 CGEDHM Cc1nsc(Nc2cc(F)c([O-])cc2F)c1C#N ZINC001215570884 815536582 /nfs/dbraw/zinc/53/65/82/815536582.db2.gz ZQFZUFZOBBYLII-UHFFFAOYSA-N -1 3 267.260 3.051 20 30 CGEDHM CNc1ccc(C#N)cc1Nc1cc([O-])cc(F)c1 ZINC001208125671 813699448 /nfs/dbraw/zinc/69/94/48/813699448.db2.gz OFGVQNFMYBWOTJ-UHFFFAOYSA-N -1 3 257.268 3.188 20 30 CGEDHM COc1ccc(Nc2cccc(F)c2[O-])c(C#N)c1 ZINC001210197187 814334441 /nfs/dbraw/zinc/33/44/41/814334441.db2.gz HJLCYPGZLZEDMQ-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM CC(=O)c1ccc(Nc2ccc(F)cc2C#N)cc1[O-] ZINC001210554450 814522336 /nfs/dbraw/zinc/52/23/36/814522336.db2.gz GEIHQGGZIUFEBJ-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM COc1ncc(Nc2c(Cl)cccc2C#N)cc1[O-] ZINC001216209811 815739365 /nfs/dbraw/zinc/73/93/65/815739365.db2.gz MHJOGEFWZMLZHT-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cnc(N3CCCCC3)nc2)cc1 ZINC001222139619 816357221 /nfs/dbraw/zinc/35/72/21/816357221.db2.gz VBZQHVIUCYPMSO-DEDYPNTBSA-N -1 3 296.374 3.332 20 30 CGEDHM [O-]/N=C(/c1ccccc1)[C@H](OC1COC1)c1ccccc1 ZINC001222681812 816497306 /nfs/dbraw/zinc/49/73/06/816497306.db2.gz YXLXTPJCPPOHSP-FXBHHXAOSA-N -1 3 283.327 3.022 20 30 CGEDHM [O-]/N=C(/c1ccccc1)[C@H](OC[C@@H]1CCO1)c1ccccc1 ZINC001224475656 816812073 /nfs/dbraw/zinc/81/20/73/816812073.db2.gz ZUFXYZFAXYXZTG-XGTFNICDSA-N -1 3 297.354 3.412 20 30 CGEDHM C=C[C@@]1(C)CC[C@@H](Oc2[n-]c(=S)ncc2C)C(C)(C)O1 ZINC001225741230 817163966 /nfs/dbraw/zinc/16/39/66/817163966.db2.gz SPFDCJYMTLQZNW-ABAIWWIYSA-N -1 3 294.420 3.355 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@@H](C#N)c2ccccc2F)c1 ZINC001225993626 817242056 /nfs/dbraw/zinc/24/20/56/817242056.db2.gz INVNLTWFJJNNGM-INIZCTEOSA-N -1 3 285.274 3.378 20 30 CGEDHM C[C@H](Oc1cccc(/C=N/[O-])c1)c1cnc2ccccn21 ZINC001226109795 817275956 /nfs/dbraw/zinc/27/59/56/817275956.db2.gz JOUARMSAUHJICQ-NNLQFVHNSA-N -1 3 281.315 3.282 20 30 CGEDHM CC(C)[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226256047 817313033 /nfs/dbraw/zinc/31/30/33/817313033.db2.gz OCHHSQUTIVYQAV-NGWPFTMJSA-N -1 3 271.320 3.061 20 30 CGEDHM C=C[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380428 817340291 /nfs/dbraw/zinc/34/02/91/817340291.db2.gz UPTUOEQKSFCXGH-SNVBAGLBSA-N -1 3 294.306 3.121 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2cc(=O)[n-]c(C)n2)C1 ZINC001226510826 817381556 /nfs/dbraw/zinc/38/15/56/817381556.db2.gz RAMHIUASYDHSCN-STQMWFEESA-N -1 3 260.337 3.170 20 30 CGEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1cccnc1Cl ZINC001227347013 817628164 /nfs/dbraw/zinc/62/81/64/817628164.db2.gz ZAZVGEFZDJNYOM-SECBINFHSA-N -1 3 274.707 3.452 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H]2CCOc3ccccc32)c1 ZINC001227346182 817628768 /nfs/dbraw/zinc/62/87/68/817628768.db2.gz SJVXPYOHGCXDJI-OAHLLOKOSA-N -1 3 267.284 3.166 20 30 CGEDHM Cc1cnc(F)c([C@H](C)Oc2cc(C#N)ccc2[O-])c1 ZINC001227348642 817629673 /nfs/dbraw/zinc/62/96/73/817629673.db2.gz AUKBRIMFQSYYBJ-JTQLQIEISA-N -1 3 272.279 3.246 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H]2CCc3cc(F)ccc32)c1 ZINC001227350865 817631464 /nfs/dbraw/zinc/63/14/64/817631464.db2.gz QEECOXIBDVWYTJ-OAHLLOKOSA-N -1 3 269.275 3.469 20 30 CGEDHM C#C[C@@H](CC)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228130808 817820447 /nfs/dbraw/zinc/82/04/47/817820447.db2.gz CZOUBRPHQNUWTP-LBPRGKRZSA-N -1 3 260.333 3.338 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1COCc2ccccc21 ZINC001233801675 818708731 /nfs/dbraw/zinc/70/87/31/818708731.db2.gz CCZSNBQZWNAKTN-WENWWWKYSA-N -1 3 299.326 3.154 20 30 CGEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cccc([O-])c1C(N)=O ZINC001234149374 818791976 /nfs/dbraw/zinc/79/19/76/818791976.db2.gz ODCLBXHRINVHSA-XUJVJEKNSA-N -1 3 289.375 3.251 20 30 CGEDHM CC(=O)Oc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001243365417 823371151 /nfs/dbraw/zinc/37/11/51/823371151.db2.gz RGHITZXNHZOWBG-UHFFFAOYSA-N -1 3 255.273 3.087 20 30 CGEDHM C#CC[C@@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792655 818924787 /nfs/dbraw/zinc/92/47/87/818924787.db2.gz FPNGWEMSNXFBTO-GFCCVEGCSA-N -1 3 276.332 3.093 20 30 CGEDHM CN(C)C(=O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001239802712 820617775 /nfs/dbraw/zinc/61/77/75/820617775.db2.gz ULXHFGOLUGRBSV-VCHYOVAHSA-N -1 3 286.306 3.003 20 30 CGEDHM N#Cc1cc(C(F)(F)F)cc(-c2ccccc2[O-])n1 ZINC001241003174 821482389 /nfs/dbraw/zinc/48/23/89/821482389.db2.gz JOYLHLCEBCGFRG-UHFFFAOYSA-N -1 3 264.206 3.345 20 30 CGEDHM C=CCOc1ccc(-c2ccc(C)cc2[O-])nc1C#N ZINC001241036369 821511812 /nfs/dbraw/zinc/51/18/12/821511812.db2.gz WBCOQTGKEFTMQC-UHFFFAOYSA-N -1 3 266.300 3.199 20 30 CGEDHM COc1cc(-c2c(F)ccc([O-])c2F)ccc1CC#N ZINC001241293436 821711592 /nfs/dbraw/zinc/71/15/92/821711592.db2.gz XKFWXYWUVZRZKN-UHFFFAOYSA-N -1 3 275.254 3.412 20 30 CGEDHM Cn1cc2cccc(-c3cc(/C=N/[O-])ccc3F)c2n1 ZINC001241470040 821868155 /nfs/dbraw/zinc/86/81/55/821868155.db2.gz KNOZWRAVUPSIBG-CAOOACKPSA-N -1 3 269.279 3.188 20 30 CGEDHM [O-]N=Cc1ccccc1-c1cnn(-c2ccccc2)c1 ZINC001241756901 822129829 /nfs/dbraw/zinc/12/98/29/822129829.db2.gz QDZGFEZESOWPKC-UHFFFAOYSA-N -1 3 263.300 3.347 20 30 CGEDHM O=C1CCc2cc(-c3ccc(/C=N/[O-])c(F)c3)ccc21 ZINC001242157454 822899414 /nfs/dbraw/zinc/89/94/14/822899414.db2.gz QAKXLSLFBUWXHM-GIJQJNRQSA-N -1 3 269.275 3.430 20 30 CGEDHM CC1(C)CC(=O)C=C(c2cc(/C=N/[O-])ccc2F)C1 ZINC001242316696 822950110 /nfs/dbraw/zinc/95/01/10/822950110.db2.gz VROKGWLJWZJPGU-RQZCQDPDSA-N -1 3 261.296 3.406 20 30 CGEDHM CCn1cccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC001345071743 936799827 /nfs/dbraw/zinc/79/98/27/936799827.db2.gz RIMCVTFPRONGEY-NSHDSACASA-N -1 3 285.372 3.332 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1cc(Br)co1 ZINC001350578910 936994697 /nfs/dbraw/zinc/99/46/97/936994697.db2.gz UNMSICSFNOKMNF-UHFFFAOYSA-N -1 3 297.133 3.228 20 30 CGEDHM CCCCCCN([O-])C(=O)COc1c(C)cccc1C ZINC001472619313 937099262 /nfs/dbraw/zinc/09/92/62/937099262.db2.gz HBSXRHKAXFLJNW-UHFFFAOYSA-N -1 3 279.380 3.480 20 30 CGEDHM CCCCN([O-])C(=O)c1cnc(-c2ccccc2)s1 ZINC001161832990 931986750 /nfs/dbraw/zinc/98/67/50/931986750.db2.gz WKEQDIVOCJTVCX-UHFFFAOYSA-N -1 3 276.361 3.442 20 30 CGEDHM CC[C@@H](C#Cc1ccccc1)Oc1nc(C)[n-]c(=O)c1C ZINC001229686500 932470007 /nfs/dbraw/zinc/47/00/07/932470007.db2.gz AZIJOONWVIDAGL-HNNXBMFYSA-N -1 3 282.343 3.008 20 30 CGEDHM C=C(C)C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=C)C ZINC001229950498 932507794 /nfs/dbraw/zinc/50/77/94/932507794.db2.gz LQUJTNRPAVYIIE-AWEZNQCLSA-N -1 3 270.336 3.156 20 30 CGEDHM C=C(C)C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=C)C ZINC001229950498 932507796 /nfs/dbraw/zinc/50/77/96/932507796.db2.gz LQUJTNRPAVYIIE-AWEZNQCLSA-N -1 3 270.336 3.156 20 30 CGEDHM Cc1ccncc1C(=O)N([O-])Cc1ccccc1Cl ZINC001306894802 932890906 /nfs/dbraw/zinc/89/09/06/932890906.db2.gz RJLJFFHVGIWLOC-UHFFFAOYSA-N -1 3 276.723 3.075 20 30 CGEDHM CCCCN([O-])C(=O)COc1ccc(C(F)(F)F)cc1 ZINC001306897559 932893587 /nfs/dbraw/zinc/89/35/87/932893587.db2.gz SAXRZCPIHMHUCU-UHFFFAOYSA-N -1 3 291.269 3.102 20 30 CGEDHM CO[C@@H]1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC001320979888 934130706 /nfs/dbraw/zinc/13/07/06/934130706.db2.gz AZZXWPVMUAPPKC-AQXMUXADSA-N -1 3 298.180 3.141 20 30 CGEDHM O=C(C1=CCCCCC1)N([O-])Cc1ccc(F)cc1 ZINC001472622585 937778452 /nfs/dbraw/zinc/77/84/52/937778452.db2.gz LWDXDRGQJUTRDY-UHFFFAOYSA-N -1 3 263.312 3.434 20 30 CGEDHM C=CCn1c(SC[C@@H]2CCCC[C@H]2C)n[n-]c1=O ZINC001473004779 937790396 /nfs/dbraw/zinc/79/03/96/937790396.db2.gz HEWJGSQHTOOVIU-MNOVXSKESA-N -1 3 267.398 3.088 20 30 CGEDHM N#CC(=C([O-])c1cncc2ccccc21)c1cccc(F)n1 ZINC001524718618 938045150 /nfs/dbraw/zinc/04/51/50/938045150.db2.gz YCPYCQUYVIXKIH-CYBMUJFWSA-N -1 3 291.285 3.259 20 30 CGEDHM C#Cc1cccc(NC(=O)c2cccc(CC)c2[O-])c1 ZINC001540260248 938129172 /nfs/dbraw/zinc/12/91/72/938129172.db2.gz PEUNCSVBJYDTHU-UHFFFAOYSA-N -1 3 265.312 3.188 20 30 CGEDHM Cc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001559033326 938219147 /nfs/dbraw/zinc/21/91/47/938219147.db2.gz FHEDZQFQUWCPNW-UHFFFAOYSA-N -1 3 276.723 3.075 20 30 CGEDHM O=C(c1cc(Cl)ncc1F)N([O-])Cc1ccc(F)cc1 ZINC001559037169 938219202 /nfs/dbraw/zinc/21/92/02/938219202.db2.gz LYDJJIVOAOSAAZ-UHFFFAOYSA-N -1 3 298.676 3.045 20 30 CGEDHM C=CCC(C)(C)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314732986 963799461 /nfs/dbraw/zinc/79/94/61/963799461.db2.gz ARNCUBWOSQAMCW-SECBINFHSA-N -1 3 268.382 3.094 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000045217769 345023086 /nfs/dbraw/zinc/02/30/86/345023086.db2.gz OWHYPQINWHLKJK-GFCCVEGCSA-N -1 3 280.327 3.063 20 30 CGEDHM Cc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1[O-] ZINC000133496932 346078029 /nfs/dbraw/zinc/07/80/29/346078029.db2.gz OSZQMCSKEOMSST-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM CCC(CC)CN(CCC#N)C(=O)c1c(C)cccc1[O-] ZINC000599347920 347738298 /nfs/dbraw/zinc/73/82/98/347738298.db2.gz WYQRHIKPMAYAHO-UHFFFAOYSA-N -1 3 288.391 3.493 20 30 CGEDHM N#CC[C@@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000599470594 347747562 /nfs/dbraw/zinc/74/75/62/347747562.db2.gz UBMZUFUHYLTHGM-NSHDSACASA-N -1 3 264.756 3.171 20 30 CGEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000628490474 350557819 /nfs/dbraw/zinc/55/78/19/350557819.db2.gz YXEILWJPYCSOKY-CYBMUJFWSA-N -1 3 259.349 3.047 20 30 CGEDHM C=C1CC(C)(C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000632028098 351159500 /nfs/dbraw/zinc/15/95/00/351159500.db2.gz URNRUNZYQDNBQX-UHFFFAOYSA-N -1 3 251.713 3.340 20 30 CGEDHM C=CCOc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000271644316 191257450 /nfs/dbraw/zinc/25/74/50/191257450.db2.gz BSRUYDGFNNPJAR-UHFFFAOYSA-N -1 3 276.336 3.247 20 30 CGEDHM C=CCOc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271644316 191257453 /nfs/dbraw/zinc/25/74/53/191257453.db2.gz BSRUYDGFNNPJAR-UHFFFAOYSA-N -1 3 276.336 3.247 20 30 CGEDHM N#Cc1ccc(NC([O-])=NOC2CCCC2)c(Cl)c1 ZINC000271872937 191381678 /nfs/dbraw/zinc/38/16/78/191381678.db2.gz XAKPUXJFIZWQTI-UHFFFAOYSA-N -1 3 279.727 3.207 20 30 CGEDHM N#Cc1ccc(NC(=O)[N-]OC2CCCC2)c(Cl)c1 ZINC000271872937 191381680 /nfs/dbraw/zinc/38/16/80/191381680.db2.gz XAKPUXJFIZWQTI-UHFFFAOYSA-N -1 3 279.727 3.207 20 30 CGEDHM CC(C)Oc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000106353729 370351413 /nfs/dbraw/zinc/35/14/13/370351413.db2.gz YPTNUMWSZKZJQH-CQSZACIVSA-N -1 3 280.327 3.359 20 30 CGEDHM CCCCCCCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131739038 371126241 /nfs/dbraw/zinc/12/62/41/371126241.db2.gz VODRVTYZQIUDFY-UHFFFAOYSA-N -1 3 293.436 3.387 20 30 CGEDHM Cc1ccc(C[C@@H](C)/N=C/c2ccc(O)c([O-])c2O)s1 ZINC000150936941 371551336 /nfs/dbraw/zinc/55/13/36/371551336.db2.gz LRYVORQRGFTEAL-PTPOTIKZSA-N -1 3 291.372 3.223 20 30 CGEDHM CCn1c2ccc(C#N)cc2nc1-c1cccc([O-])c1 ZINC000155101147 371905247 /nfs/dbraw/zinc/90/52/47/371905247.db2.gz RXWCYRZJGHFOAC-UHFFFAOYSA-N -1 3 263.300 3.300 20 30 CGEDHM CCN(Cc1ccc([O-])c2nc(C)ccc12)C[C@@H](C)C#N ZINC000429691331 372375229 /nfs/dbraw/zinc/37/52/29/372375229.db2.gz VYGVPSGGNSGQHZ-LBPRGKRZSA-N -1 3 283.375 3.230 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]C1(c2nccs2)CCCC1 ZINC000293670678 372444082 /nfs/dbraw/zinc/44/40/82/372444082.db2.gz JMIKJPDFSIMWLH-UHFFFAOYSA-N -1 3 286.347 3.240 20 30 CGEDHM CC#CCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436784684 372840339 /nfs/dbraw/zinc/84/03/39/372840339.db2.gz XYYVGLXXPWEGSN-UHFFFAOYSA-N -1 3 295.338 3.280 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O ZINC000443521968 373156460 /nfs/dbraw/zinc/15/64/60/373156460.db2.gz OHVZUHCFWVHKHZ-UHFFFAOYSA-N -1 3 283.393 3.008 20 30 CGEDHM N#C[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1Cl ZINC000182440901 374274203 /nfs/dbraw/zinc/27/42/03/374274203.db2.gz SMJPOHKGZBNFMV-AWEZNQCLSA-N -1 3 286.718 3.040 20 30 CGEDHM CCc1onc(C)c1[N-]C(=O)c1cn2cc(C)nc2s1 ZINC000328880489 374389914 /nfs/dbraw/zinc/38/99/14/374389914.db2.gz KPXLPLHXBCZPRF-UHFFFAOYSA-N -1 3 290.348 3.199 20 30 CGEDHM O=C(Nc1ncccc1[O-])c1coc(C2CCCC2)n1 ZINC000329927325 374441876 /nfs/dbraw/zinc/44/18/76/374441876.db2.gz WVTMIEGLCGOOBV-UHFFFAOYSA-N -1 3 273.292 3.069 20 30 CGEDHM CC(C)(CNC(=O)c1csc(=O)[n-]1)C1CCCC1 ZINC000329949895 374444866 /nfs/dbraw/zinc/44/48/66/374444866.db2.gz BYWVNHUGDSKJAX-UHFFFAOYSA-N -1 3 268.382 3.370 20 30 CGEDHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H]1CCCO1 ZINC000330524131 374477397 /nfs/dbraw/zinc/47/73/97/374477397.db2.gz JSMDWVFVLHXIJR-STQMWFEESA-N -1 3 283.755 3.308 20 30 CGEDHM COc1ccc(C(=O)N[C@]2(C)CC=CCC2)c([O-])c1 ZINC000331329693 374522170 /nfs/dbraw/zinc/52/21/70/374522170.db2.gz HEHFFUGACSEAEU-OAHLLOKOSA-N -1 3 261.321 3.204 20 30 CGEDHM C=CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000472705764 375031401 /nfs/dbraw/zinc/03/14/01/375031401.db2.gz GPVXMQVFCOJXLA-UHFFFAOYSA-N -1 3 291.775 3.114 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2cc[nH]c2C(C)C)nc(C)n1 ZINC000574091183 377618821 /nfs/dbraw/zinc/61/88/21/377618821.db2.gz DEEVNJQOIIWCPP-ZDUSSCGKSA-N -1 3 282.347 3.035 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2ccoc2C2CC2)nc(C)n1 ZINC000342640759 377706340 /nfs/dbraw/zinc/70/63/40/377706340.db2.gz XSTBZHVLZGOYNP-ZDUSSCGKSA-N -1 3 281.315 3.054 20 30 CGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cccs3)nc21 ZINC000345424525 378280425 /nfs/dbraw/zinc/28/04/25/378280425.db2.gz PMOLUJALKABRHD-SNVBAGLBSA-N -1 3 281.340 3.423 20 30 CGEDHM C=CCn1c(S[C@H](C)c2ccc(F)c(F)c2)n[n-]c1=O ZINC000348111483 378797270 /nfs/dbraw/zinc/79/72/70/378797270.db2.gz CRCSAJUPFYJYNC-MRVPVSSYSA-N -1 3 297.330 3.301 20 30 CGEDHM Cn1ccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361532821 381789128 /nfs/dbraw/zinc/78/91/28/381789128.db2.gz ZLXWMGYTMYQLAB-OAHLLOKOSA-N -1 3 275.311 3.063 20 30 CGEDHM CCCc1nc(C(=O)[N-]c2scc(C)c2C#N)co1 ZINC000288911570 197190523 /nfs/dbraw/zinc/19/05/23/197190523.db2.gz UTDOBUSKJROYDS-UHFFFAOYSA-N -1 3 275.333 3.121 20 30 CGEDHM C=CCCC1(C(=O)Nc2ccc(OC)cc2[O-])CC1 ZINC000356978847 542574185 /nfs/dbraw/zinc/57/41/85/542574185.db2.gz RSMKJCMQBMCJKT-UHFFFAOYSA-N -1 3 261.321 3.086 20 30 CGEDHM C=C(C)CN(C)C(=O)c1ccc(OCCCC)cc1[O-] ZINC000190999182 392819320 /nfs/dbraw/zinc/81/93/20/392819320.db2.gz IHHUDRPDRGFBJN-UHFFFAOYSA-N -1 3 277.364 3.219 20 30 CGEDHM C=CC[C@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000656759517 419211621 /nfs/dbraw/zinc/21/16/21/419211621.db2.gz HKRBFJYGTQRXSL-LBPRGKRZSA-N -1 3 263.337 3.074 20 30 CGEDHM O=C(NC12CC3CC(CC(C3)C1)C2)c1csc(=O)[n-]1 ZINC000329971255 228003027 /nfs/dbraw/zinc/00/30/27/228003027.db2.gz YJDAJCRBFFQGPJ-UHFFFAOYSA-N -1 3 278.377 3.122 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(F)c(C)c2)nc(C)n1 ZINC000352274223 228212344 /nfs/dbraw/zinc/21/23/44/228212344.db2.gz SEEGJVLUCKGMAZ-CYBMUJFWSA-N -1 3 283.306 3.031 20 30 CGEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccccc1[O-] ZINC000272799875 263008802 /nfs/dbraw/zinc/00/88/02/263008802.db2.gz YIROOVKYHDBFJP-CQSZACIVSA-N -1 3 278.352 3.302 20 30 CGEDHM CCCCN(Cc1ccccc1[O-])C[C@@H](C#N)CCC#N ZINC000282361308 263076214 /nfs/dbraw/zinc/07/62/14/263076214.db2.gz DJLDLMXSZCOTBJ-OAHLLOKOSA-N -1 3 285.391 3.438 20 30 CGEDHM CC(C)[C@@H](C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294577654 263163911 /nfs/dbraw/zinc/16/39/11/263163911.db2.gz KNXUAAVRIVBTMW-MRXNPFEDSA-N -1 3 296.370 3.142 20 30 CGEDHM Cc1nc(CC(C)C)oc1C(=O)Nc1nc(C)ccc1[O-] ZINC000331059388 264110333 /nfs/dbraw/zinc/11/03/33/264110333.db2.gz MMOFZZCJSAYGGS-UHFFFAOYSA-N -1 3 289.335 3.227 20 30 CGEDHM CO[C@@H](C)[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000331224845 264149597 /nfs/dbraw/zinc/14/95/97/264149597.db2.gz BPCAAXVTAJKPPN-QWRGUYRKSA-N -1 3 265.353 3.244 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000331246907 264179571 /nfs/dbraw/zinc/17/95/71/264179571.db2.gz VNXLWLQQHBZPIY-ZIAGYGMSSA-N -1 3 277.364 3.124 20 30 CGEDHM CC1(C)CCC[C@@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329928381 278223646 /nfs/dbraw/zinc/22/36/46/278223646.db2.gz 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334890914 /nfs/dbraw/zinc/89/09/14/334890914.db2.gz XAGRPEPFZLXOOE-UHFFFAOYSA-N -1 3 288.372 3.066 20 30 CGEDHM C=CCN(CCc1ccco1)C(=O)c1ccc([O-])c(C)c1 ZINC000354503943 526322965 /nfs/dbraw/zinc/32/29/65/526322965.db2.gz VYJBGCZZIJTJAO-UHFFFAOYSA-N -1 3 285.343 3.165 20 30 CGEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354481190 528080630 /nfs/dbraw/zinc/08/06/30/528080630.db2.gz YAMZTXGSXBWOEZ-AWEZNQCLSA-N -1 3 265.316 3.090 20 30 CGEDHM CCC1(CC)CCC(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000330031058 529034130 /nfs/dbraw/zinc/03/41/30/529034130.db2.gz SOCXQJBOZBESFU-NSHDSACASA-N -1 3 295.383 3.335 20 30 CGEDHM COc1cccc([O-])c1/C=N\CCSC(C)(C)C ZINC000727264956 571734778 /nfs/dbraw/zinc/73/47/78/571734778.db2.gz BLWZRDBZONRSBQ-GDNBJRDFSA-N -1 3 267.394 3.351 20 30 CGEDHM CC(=NNc1nc2ccccc2n1C)c1ccc([O-])c(F)c1 ZINC000728429327 571805362 /nfs/dbraw/zinc/80/53/62/571805362.db2.gz CTZBQFSUTYOVQI-UHFFFAOYSA-N -1 3 298.321 3.254 20 30 CGEDHM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc([O-])c(F)c1 ZINC000728429327 571805367 /nfs/dbraw/zinc/80/53/67/571805367.db2.gz CTZBQFSUTYOVQI-UHFFFAOYSA-N -1 3 298.321 3.254 20 30 CGEDHM O=C(/C=C\c1nccn1CC(F)(F)F)c1cccc([O-])c1 ZINC000728696275 571815337 /nfs/dbraw/zinc/81/53/37/571815337.db2.gz PCMRJVDTNRROBL-PLNGDYQASA-N -1 3 296.248 3.047 20 30 CGEDHM COc1cccc([O-])c1/C=N\C[C@H]1CCOc2ccccc21 ZINC000731155152 572398135 /nfs/dbraw/zinc/39/81/35/572398135.db2.gz APWHVKXCFTWUAM-CQLSMYGBSA-N -1 3 297.354 3.386 20 30 CGEDHM CCc1ccccc1NN=C1C(=O)[N-]c2c1c(C)ccc2F ZINC000732712469 572478783 /nfs/dbraw/zinc/47/87/83/572478783.db2.gz IXIICQSHYZVODJ-UHFFFAOYSA-N -1 3 297.333 3.465 20 30 CGEDHM Cc1nc(Cl)cc(N=NC(C)c2ccc([O-])cc2F)n1 ZINC000741766799 572525150 /nfs/dbraw/zinc/52/51/50/572525150.db2.gz NTJMLGJEADHQCC-UHFFFAOYSA-N -1 3 294.717 3.119 20 30 CGEDHM Cc1ccc(CC[C@@H](C)/N=C\c2ccc(O)c([O-])c2O)o1 ZINC000741842113 572534226 /nfs/dbraw/zinc/53/42/26/572534226.db2.gz FEVRWKXOQCTGMI-LGQZLYSRSA-N -1 3 289.331 3.145 20 30 CGEDHM C=CCCCOC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000735529821 572728121 /nfs/dbraw/zinc/72/81/21/572728121.db2.gz NQKKMVKUDREPPB-UHFFFAOYSA-N -1 3 262.334 3.261 20 30 CGEDHM C=CCCCOC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000735529821 572728124 /nfs/dbraw/zinc/72/81/24/572728124.db2.gz NQKKMVKUDREPPB-UHFFFAOYSA-N -1 3 262.334 3.261 20 30 CGEDHM Cc1ncc(CO)c(C=Nc2ccc(Cl)cc2F)c1[O-] ZINC000747707950 572942073 /nfs/dbraw/zinc/94/20/73/572942073.db2.gz SSPQXDCJLNOQDW-UHFFFAOYSA-N -1 3 294.713 3.131 20 30 CGEDHM O=c1[n-]ncc(N=NC=CCc2ccc(F)cc2)c1Cl ZINC000747752072 572945937 /nfs/dbraw/zinc/94/59/37/572945937.db2.gz VBTJCFAWCWGHNL-RTDHGNNNSA-N -1 3 292.701 3.086 20 30 CGEDHM C=CCCCC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000749041607 572988743 /nfs/dbraw/zinc/98/87/43/572988743.db2.gz WEOFKZCLUHWJSJ-UHFFFAOYSA-N -1 3 298.342 3.419 20 30 CGEDHM COc1cccc([O-])c1/C=N/CCc1cccc(C)c1 ZINC000749103956 572989101 /nfs/dbraw/zinc/98/91/01/572989101.db2.gz FYTMLHPOHZYGJW-LDADJPATSA-N -1 3 269.344 3.371 20 30 CGEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000827718098 601303945 /nfs/dbraw/zinc/30/39/45/601303945.db2.gz OOXVPDFUQCIIKS-WBMJQRKESA-N -1 3 280.327 3.035 20 30 CGEDHM COC(=O)c1cnc(SCCCCC2(C#N)CCC2)[n-]1 ZINC000901533951 620916417 /nfs/dbraw/zinc/91/64/17/620916417.db2.gz DMSLGEYAQFEIOO-UHFFFAOYSA-N -1 3 293.392 3.153 20 30 CGEDHM CCN(Cc1c([O-])cccc1Cl)C[C@H](C)C#N ZINC000120507581 617715291 /nfs/dbraw/zinc/71/52/91/617715291.db2.gz OOASHVHIKIXRNH-SNVBAGLBSA-N -1 3 252.745 3.027 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCC=CO1 ZINC000780149362 618568410 /nfs/dbraw/zinc/56/84/10/618568410.db2.gz MZTCASAUUTWUNM-AAWHYMEISA-N -1 3 296.164 3.266 20 30 CGEDHM CCCCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000119265641 618663787 /nfs/dbraw/zinc/66/37/87/618663787.db2.gz CUVWUDNCOJBGBO-UHFFFAOYSA-N -1 3 287.367 3.166 20 30 CGEDHM CCCCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000119265641 618663788 /nfs/dbraw/zinc/66/37/88/618663788.db2.gz CUVWUDNCOJBGBO-UHFFFAOYSA-N -1 3 287.367 3.166 20 30 CGEDHM CCO[C@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000849170090 618682992 /nfs/dbraw/zinc/68/29/92/618682992.db2.gz KWKDVARCRUASDQ-KRDHVXDDSA-N -1 3 298.180 3.141 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2ccccc2Cl)c1O ZINC000255600588 618752847 /nfs/dbraw/zinc/75/28/47/618752847.db2.gz KXNJBGRWZRCDLW-UHFFFAOYSA-N -1 3 263.680 3.207 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2cccc3ncccc23)c1O ZINC000255632255 618769681 /nfs/dbraw/zinc/76/96/81/618769681.db2.gz QBMJXJHOQNGAJT-UHFFFAOYSA-N -1 3 280.283 3.102 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1cccc(F)c1 ZINC000255725656 618781101 /nfs/dbraw/zinc/78/11/01/618781101.db2.gz GUKYMEJDLRNTJW-VHXYRJIDSA-N -1 3 293.725 3.337 20 30 CGEDHM COC(=O)[C@H](CC(C)(C)C)/N=C/c1cc(Cl)ccc1[O-] ZINC000843267027 618892495 /nfs/dbraw/zinc/89/24/95/618892495.db2.gz SIGVQMSFJYWKRA-UWONZBIMSA-N -1 3 297.782 3.442 20 30 CGEDHM CC(C)(C#N)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000168936349 618914529 /nfs/dbraw/zinc/91/45/29/618914529.db2.gz REORNNZSNICBBN-UHFFFAOYSA-N -1 3 273.163 3.338 20 30 CGEDHM C=CCC[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OCC ZINC000840708145 620092743 /nfs/dbraw/zinc/09/27/43/620092743.db2.gz DGBHNPPNBHKGKP-OMJMQIJPSA-N -1 3 295.766 3.362 20 30 CGEDHM C=C1CC(C)(c2noc(-c3cccc(OC)c3[O-])n2)C1 ZINC000896915955 620098783 /nfs/dbraw/zinc/09/87/83/620098783.db2.gz SEKJYOKGBPMZCU-UHFFFAOYSA-N -1 3 272.304 3.059 20 30 CGEDHM CO[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000840709704 620104877 /nfs/dbraw/zinc/10/48/77/620104877.db2.gz OABOSZLNUIIDRX-DTJUADOXSA-N -1 3 253.729 3.032 20 30 CGEDHM CC1(C)O[C@@H]2C[C@@H](/N=C\c3cc(Cl)ccc3[O-])C[C@@H]2O1 ZINC000899226863 620626751 /nfs/dbraw/zinc/62/67/51/620626751.db2.gz ACFDJVBVOZDFBI-IFUUQXKGSA-N -1 3 295.766 3.147 20 30 CGEDHM C[C@@H]1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CCO1 ZINC000901370987 620866198 /nfs/dbraw/zinc/86/61/98/620866198.db2.gz JZNNXRQCDKWKGV-HIFRSBDPSA-N -1 3 299.370 3.373 20 30 CGEDHM COCC1(CC(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000901371134 620866659 /nfs/dbraw/zinc/86/66/59/620866659.db2.gz NHOSJTBBABWNFK-UHFFFAOYSA-N -1 3 299.370 3.374 20 30 CGEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CCO1 ZINC000901370988 620866681 /nfs/dbraw/zinc/86/66/81/620866681.db2.gz JZNNXRQCDKWKGV-UKRRQHHQSA-N -1 3 299.370 3.373 20 30 CGEDHM CC(=NNC1CCC(F)(F)CC1)c1ccc([O-])c(F)c1 ZINC000901345458 620867009 /nfs/dbraw/zinc/86/70/09/620867009.db2.gz SNPUHWSVJJLQOJ-UHFFFAOYSA-N -1 3 286.297 3.423 20 30 CGEDHM O=C(CCc1ccc(F)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901375805 620868077 /nfs/dbraw/zinc/86/80/77/620868077.db2.gz KRFKVSYDQFBNNJ-UHFFFAOYSA-N -1 3 291.297 3.315 20 30 CGEDHM CCOc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901376539 620868648 /nfs/dbraw/zinc/86/86/48/620868648.db2.gz VLZFCQNNUPWMSC-UHFFFAOYSA-N -1 3 289.306 3.256 20 30 CGEDHM O=C(c1cccnc1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000904177734 621885488 /nfs/dbraw/zinc/88/54/88/621885488.db2.gz MXARDHWDJSDORB-UHFFFAOYSA-N -1 3 286.306 3.130 20 30 CGEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)C(C)(F)F ZINC000904177895 621885625 /nfs/dbraw/zinc/88/56/25/621885625.db2.gz RSXZQALFSOSUAG-UHFFFAOYSA-N -1 3 275.270 3.225 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)C(F)(F)F ZINC000904188617 621886373 /nfs/dbraw/zinc/88/63/73/621886373.db2.gz HEDPCHDMIBVVHD-ZETCQYMHSA-N -1 3 281.661 3.256 20 30 CGEDHM O=C(CC1(O)CCCCC1)N([O-])Cc1ccccc1Cl ZINC000904190540 621886600 /nfs/dbraw/zinc/88/66/00/621886600.db2.gz MUKVPTOOFMBZNF-UHFFFAOYSA-N -1 3 297.782 3.143 20 30 CGEDHM CC(C)c1cc(C(=O)N([O-])Cc2ccccc2Cl)no1 ZINC000904193199 621887443 /nfs/dbraw/zinc/88/74/43/621887443.db2.gz LMEVIKFMNQPZAX-UHFFFAOYSA-N -1 3 294.738 3.483 20 30 CGEDHM N#CC[C@H](/N=C\c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000905003926 622027582 /nfs/dbraw/zinc/02/75/82/622027582.db2.gz YHIAXANZIISLAH-CIPOKBDDSA-N -1 3 276.645 3.309 20 30 CGEDHM CC(=NNC1CCSCC1)c1ccc([O-])cc1Cl ZINC000905498351 622082727 /nfs/dbraw/zinc/08/27/27/622082727.db2.gz SYFVOUWUNMSFSO-UHFFFAOYSA-N -1 3 284.812 3.255 20 30 CGEDHM COc1ccc(CNN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000917548858 624287016 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C=CCCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000363633500 382240252 /nfs/dbraw/zinc/24/02/52/382240252.db2.gz FOKBDCDEMKORGY-UHFFFAOYSA-N -1 3 297.358 3.316 20 30 CGEDHM C=CCN(Cc1cccc(C#N)c1)Cc1nc(C)ccc1[O-] ZINC000092504302 392233321 /nfs/dbraw/zinc/23/33/21/392233321.db2.gz IOEIJCSXHGWYQJ-UHFFFAOYSA-N -1 3 293.370 3.156 20 30 CGEDHM Cc1ccc([O-])c(CNc2cccc(OCCCC#N)c2)n1 ZINC000114764084 392388533 /nfs/dbraw/zinc/38/85/33/392388533.db2.gz CWZLCGIJJXMWAJ-UHFFFAOYSA-N -1 3 297.358 3.390 20 30 CGEDHM C#C[C@@H](/N=C\c1ccccc1[O-])c1ccc(F)cc1 ZINC000491712104 393698039 /nfs/dbraw/zinc/69/80/39/393698039.db2.gz XFKPOJIKFRQCAC-JQFNYASXSA-N -1 3 253.276 3.325 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)ccn1 ZINC000671278987 543165779 /nfs/dbraw/zinc/16/57/79/543165779.db2.gz SJZBYMKWIJCKQE-HNNXBMFYSA-N -1 3 287.322 3.428 20 30 CGEDHM COc1cc(/C=C/C(=O)c2cccc([O-])c2)cc(OC)c1 ZINC000006432923 170200992 /nfs/dbraw/zinc/20/09/92/170200992.db2.gz LYZFXVOIMOUPNX-VOTSOKGWSA-N -1 3 284.311 3.306 20 30 CGEDHM C=C(C)CN(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652430559 418966837 /nfs/dbraw/zinc/96/68/37/418966837.db2.gz NAPHKOMWORAUHG-UHFFFAOYSA-N -1 3 253.729 3.046 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000179550379 260054957 /nfs/dbraw/zinc/05/49/57/260054957.db2.gz LTYGFFJYNOIBGR-CMDGGOBGSA-N -1 3 278.311 3.224 20 30 CGEDHM Cc1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1C ZINC000071798881 260274063 /nfs/dbraw/zinc/27/40/63/260274063.db2.gz QNUBDRMLSGPOTP-UHFFFAOYSA-N -1 3 284.241 3.077 20 30 CGEDHM Cc1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1C ZINC000071798881 260274065 /nfs/dbraw/zinc/27/40/65/260274065.db2.gz QNUBDRMLSGPOTP-UHFFFAOYSA-N -1 3 284.241 3.077 20 30 CGEDHM CCc1ccc(C(=O)NCC2CCC(C#N)CC2)c([O-])c1 ZINC000282331154 263075854 /nfs/dbraw/zinc/07/58/54/263075854.db2.gz ODYIQAQDQRPUSQ-UHFFFAOYSA-N -1 3 286.375 3.014 20 30 CGEDHM CC[C@@](C)(C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000285653835 263094786 /nfs/dbraw/zinc/09/47/86/263094786.db2.gz COIMYRUHFMUXPE-LBPRGKRZSA-N -1 3 297.152 3.033 20 30 CGEDHM C[C@H](C#N)CN(C)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290387967 263116384 /nfs/dbraw/zinc/11/63/84/263116384.db2.gz JDEQBUYUQWZYPL-SECBINFHSA-N -1 3 272.270 3.002 20 30 CGEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277352155 328221268 /nfs/dbraw/zinc/22/12/68/328221268.db2.gz FGMNGOJLZBBCTP-BONVTDFDSA-N -1 3 292.766 3.248 20 30 CGEDHM COCCOCc1ccc(C/N=C/c2ccccc2[O-])cc1 ZINC000290900775 328260778 /nfs/dbraw/zinc/26/07/78/328260778.db2.gz DYQVIBZKLPYUCV-CPNJWEJPSA-N -1 3 299.370 3.174 20 30 CGEDHM Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c([O-])c1 ZINC000294516076 328281573 /nfs/dbraw/zinc/28/15/73/328281573.db2.gz YEMOCTRCNANFSJ-INIZCTEOSA-N -1 3 270.332 3.113 20 30 CGEDHM N#CCCN(Cc1ccco1)Cc1c(F)ccc([O-])c1F ZINC000294992609 328283983 /nfs/dbraw/zinc/28/39/83/328283983.db2.gz UGFYFPMIJDORJX-UHFFFAOYSA-N -1 3 292.285 3.179 20 30 CGEDHM CC#CCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436779903 330685192 /nfs/dbraw/zinc/68/51/92/330685192.db2.gz 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ZINC000741766101 572593576 /nfs/dbraw/zinc/59/35/76/572593576.db2.gz JAYWZYMEOCCRMX-UHFFFAOYSA-N -1 3 294.717 3.119 20 30 CGEDHM C#CCOc1ccccc1C/N=C\c1c([O-])cccc1OC ZINC000734096959 572630405 /nfs/dbraw/zinc/63/04/05/572630405.db2.gz UZMSILMDKOZKIF-UYRXBGFRSA-N -1 3 295.338 3.032 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CC[C@H](SC)C1 ZINC000743043245 572635945 /nfs/dbraw/zinc/63/59/45/572635945.db2.gz ULALGMAUWRETTC-JDTFSJQSSA-N -1 3 265.378 3.104 20 30 CGEDHM C[C@@H](/N=C/c1ccccc1[O-])c1cccc(C#N)c1 ZINC000743501535 572667547 /nfs/dbraw/zinc/66/75/47/572667547.db2.gz MCFMHGOMOHKKNP-MBNTZHJCSA-N -1 3 250.301 3.444 20 30 CGEDHM [O-]c1ccccc1/C=N\CC1Cc2ccccc2C1 ZINC000735229130 572706774 /nfs/dbraw/zinc/70/67/74/572706774.db2.gz RUONTNUDUQLSKG-PDGQHHTCSA-N -1 3 251.329 3.226 20 30 CGEDHM C=C(C)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735402560 572719480 /nfs/dbraw/zinc/71/94/80/572719480.db2.gz XAZYYMTZHSQIPV-JTQLQIEISA-N -1 3 260.366 3.237 20 30 CGEDHM C=C(C)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735402560 572719486 /nfs/dbraw/zinc/71/94/86/572719486.db2.gz XAZYYMTZHSQIPV-JTQLQIEISA-N -1 3 260.366 3.237 20 30 CGEDHM CC(N=Nc1cn[n-]c(=O)c1Cl)[C@H](C)c1ccccc1 ZINC000746367874 572867668 /nfs/dbraw/zinc/86/76/68/572867668.db2.gz CTAHOZCCLKESFK-VIFPVBQESA-N -1 3 290.754 3.427 20 30 CGEDHM C[C@@H](CC/N=C/c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000749748553 573029216 /nfs/dbraw/zinc/02/92/16/573029216.db2.gz HNVHTVWCFSPILZ-HWQJWEFDSA-N -1 3 285.343 3.416 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC[C@H](C)c2ccccc2)c1[O-] ZINC000749748541 573029510 /nfs/dbraw/zinc/02/95/10/573029510.db2.gz HFCHTSJZPMCPII-JFENUBAZSA-N -1 3 298.386 3.201 20 30 CGEDHM C=C(CC)CSCc1cc(-c2nnn[n-]2)ccc1OC ZINC000823883617 608298933 /nfs/dbraw/zinc/29/89/33/608298933.db2.gz VOYNMKKSRSXCFM-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C=C(CC)CSCc1cc(-c2nn[n-]n2)ccc1OC ZINC000823883617 608298935 /nfs/dbraw/zinc/29/89/35/608298935.db2.gz VOYNMKKSRSXCFM-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM CN1CCCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091665 620761519 /nfs/dbraw/zinc/76/15/19/620761519.db2.gz HCALPCIGLWHBJX-KRWDZBQOSA-N -1 3 298.386 3.042 20 30 CGEDHM Cc1ccc(F)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900096025 620761557 /nfs/dbraw/zinc/76/15/57/620761557.db2.gz OOZKTHDJLUHBMS-UHFFFAOYSA-N -1 3 277.270 3.305 20 30 CGEDHM CCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1F ZINC000255196807 618059768 /nfs/dbraw/zinc/05/97/68/618059768.db2.gz ASEGVIDRCJVKFW-UHFFFAOYSA-N -1 3 275.279 3.256 20 30 CGEDHM O=C1Cc2cc(N=Cc3cc(Cl)ccc3[O-])ccc2N1 ZINC000255297733 618166678 /nfs/dbraw/zinc/16/66/78/618166678.db2.gz CIDOGNUSLGOWLP-UHFFFAOYSA-N -1 3 286.718 3.291 20 30 CGEDHM CO[C@H](C)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255337836 618209780 /nfs/dbraw/zinc/20/97/80/618209780.db2.gz FDCXSDNTYISBHD-SNVBAGLBSA-N -1 3 287.315 3.261 20 30 CGEDHM Cc1cccnc1C/N=C\c1cc(Cl)ccc1[O-] ZINC000255418902 618438429 /nfs/dbraw/zinc/43/84/29/618438429.db2.gz AHYRGCQZFGBLRV-PXNMLYILSA-N -1 3 260.724 3.368 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc(SCC)c[nH]c1=O ZINC000900677979 620806297 /nfs/dbraw/zinc/80/62/97/620806297.db2.gz DMMNSJOXZMVAIT-UHFFFAOYSA-N -1 3 298.408 3.311 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCC2(CC1)OCCO2 ZINC000255882568 618844295 /nfs/dbraw/zinc/84/42/95/618844295.db2.gz OJGCGKVNDVIECD-YVLHZVERSA-N -1 3 295.766 3.150 20 30 CGEDHM C=CCC1(O)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000895835786 619895508 /nfs/dbraw/zinc/89/55/08/619895508.db2.gz PCNBIYLYTMCRIV-UHFFFAOYSA-N -1 3 299.773 3.088 20 30 CGEDHM CCc1cc(=O)[n-]c(CSCC2CCC(C#N)CC2)n1 ZINC000902343259 621256381 /nfs/dbraw/zinc/25/63/81/621256381.db2.gz PRRHKTNFLAFJKW-UHFFFAOYSA-N -1 3 291.420 3.308 20 30 CGEDHM O=C(CCCC1CC1)N([O-])Cc1ccc(F)cc1 ZINC000904177879 621885541 /nfs/dbraw/zinc/88/55/41/621885541.db2.gz RDWLAUBCIDSBNM-UHFFFAOYSA-N -1 3 251.301 3.124 20 30 CGEDHM CCCc1[nH]ccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177585 621885567 /nfs/dbraw/zinc/88/55/67/621885567.db2.gz IIAZUTOHZSDQAT-UHFFFAOYSA-N -1 3 276.311 3.138 20 30 CGEDHM CSC1(C(=O)N([O-])Cc2ccccc2Cl)CCC1 ZINC000904190009 621886740 /nfs/dbraw/zinc/88/67/40/621886740.db2.gz FRPBNKGEIAQULU-UHFFFAOYSA-N -1 3 285.796 3.344 20 30 CGEDHM CSC[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188898 621886826 /nfs/dbraw/zinc/88/68/26/621886826.db2.gz RWSXOKJVILYGAF-VIFPVBQESA-N -1 3 273.785 3.057 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1CCO[C@@H](CCC)C1 ZINC000904204991 621889312 /nfs/dbraw/zinc/88/93/12/621889312.db2.gz XDKMPTNIYDBINU-KBPBESRZSA-N -1 3 271.401 3.380 20 30 CGEDHM CCCCCCN([O-])C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000904205242 621889810 /nfs/dbraw/zinc/88/98/10/621889810.db2.gz CSVSEDZSIFMHBP-PBWFPOADSA-N -1 3 281.396 3.180 20 30 CGEDHM CCCCN([O-])C(=O)CCc1cnc2ccccc2c1 ZINC000904213362 621890909 /nfs/dbraw/zinc/89/09/09/621890909.db2.gz PBVRZYXSCZQVFG-UHFFFAOYSA-N -1 3 272.348 3.185 20 30 CGEDHM N#CC[C@H](/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000905003928 622027459 /nfs/dbraw/zinc/02/74/59/622027459.db2.gz YHIAXANZIISLAH-MJRCGYGRSA-N -1 3 276.645 3.309 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000046439486 622970302 /nfs/dbraw/zinc/97/03/02/622970302.db2.gz PRDZGBOTLRLORJ-GUOLPTJISA-N -1 3 277.283 3.046 20 30 CGEDHM C=CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)C ZINC000917167179 624248863 /nfs/dbraw/zinc/24/88/63/624248863.db2.gz YWLZTCWWFXYIIW-UHFFFAOYSA-N -1 3 297.358 3.478 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CC2CCCCCCC2)c1[O-] ZINC000917558448 624284514 /nfs/dbraw/zinc/28/45/14/624284514.db2.gz QCFSZATUUGJCLY-WOJGMQOQSA-N -1 3 290.407 3.367 20 30 CGEDHM [O-]c1ccc(C=NNc2cccc(C(F)(F)F)c2)nc1 ZINC000755466548 626624947 /nfs/dbraw/zinc/62/49/47/626624947.db2.gz GIKNGCOXKIWLJJ-UHFFFAOYSA-N -1 3 281.237 3.252 20 30 CGEDHM COc1cc(F)cc(NN=Cc2ccc([O-])c(F)c2)c1 ZINC000755769255 626644408 /nfs/dbraw/zinc/64/44/08/626644408.db2.gz MQLBCTWCEVFHMM-UHFFFAOYSA-N -1 3 278.258 3.125 20 30 CGEDHM [O-]c1ccc(C=NNCc2cnc3ccccc3c2)cc1F ZINC000755790106 626647134 /nfs/dbraw/zinc/64/71/34/626647134.db2.gz PPDORBWLVWDMNG-UHFFFAOYSA-N -1 3 295.317 3.203 20 30 CGEDHM CCCCNN=C(C)c1ccc(Br)cc1[O-] ZINC000756826070 626735446 /nfs/dbraw/zinc/73/54/46/626735446.db2.gz UGNQGPZNYSFICQ-UHFFFAOYSA-N -1 3 285.185 3.268 20 30 CGEDHM CC[C@@H](C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000760342132 626961625 /nfs/dbraw/zinc/96/16/25/626961625.db2.gz VZEIXPNZPQLHAD-IUODEOHRSA-N -1 3 279.343 3.480 20 30 CGEDHM COc1ccsc1/C=C\C(=O)c1ccc([O-])c(OC)c1 ZINC000764431605 627207341 /nfs/dbraw/zinc/20/73/41/627207341.db2.gz DKARUMVQOCFALG-WAYWQWQTSA-N -1 3 290.340 3.367 20 30 CGEDHM Cc1cc(=O)[n-]c(CSCCCC(C)(C)C#N)n1 ZINC000764653582 627216189 /nfs/dbraw/zinc/21/61/89/627216189.db2.gz HUQRAMFOEXDFLB-UHFFFAOYSA-N -1 3 265.382 3.054 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCOCC1CCC1 ZINC000764889833 627231829 /nfs/dbraw/zinc/23/18/29/627231829.db2.gz WUCGCPZJMAKXFF-SXGWCWSVSA-N -1 3 267.756 3.281 20 30 CGEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc([O-])c1F ZINC000768337540 627473906 /nfs/dbraw/zinc/47/39/06/627473906.db2.gz NVPFVNOKYQTQRB-ZDUSSCGKSA-N -1 3 296.342 3.441 20 30 CGEDHM CC(N=Nc1cc(C#N)cc(Cl)n1)c1sccc1[O-] ZINC000769799424 627578796 /nfs/dbraw/zinc/57/87/96/627578796.db2.gz VVKWLEKMRNAPTQ-UHFFFAOYSA-N -1 3 292.751 3.210 20 30 CGEDHM CCCCCCCCC[N-]S(=O)(=O)c1ccco1 ZINC000782451671 628647319 /nfs/dbraw/zinc/64/73/19/628647319.db2.gz DIJQALICRNBXSD-UHFFFAOYSA-N -1 3 273.398 3.309 20 30 CGEDHM N#Cc1ccc(F)c(COC(=O)c2cc3occc3[n-]2)c1 ZINC000786034030 628909642 /nfs/dbraw/zinc/90/96/42/628909642.db2.gz PIJCJNAIGOPQCU-UHFFFAOYSA-N -1 3 284.246 3.129 20 30 CGEDHM N#Cc1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790949300 629242635 /nfs/dbraw/zinc/24/26/35/629242635.db2.gz LOEYSSFRLWCHJV-UHFFFAOYSA-N -1 3 290.725 3.346 20 30 CGEDHM C#CC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000862571473 629410495 /nfs/dbraw/zinc/41/04/95/629410495.db2.gz UHWCZRMAVFSAHB-ZDUSSCGKSA-N -1 3 271.360 3.001 20 30 CGEDHM CC1(C)OCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125138 629480415 /nfs/dbraw/zinc/48/04/15/629480415.db2.gz NUJUGMROJFAXKA-UHFFFAOYSA-N -1 3 288.376 3.259 20 30 CGEDHM C[C@H]1COCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125584 629480645 /nfs/dbraw/zinc/48/06/45/629480645.db2.gz ZWTOTSNHMZNYHJ-VIFPVBQESA-N -1 3 288.376 3.117 20 30 CGEDHM C[C@@H]1COCC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000794678066 629565703 /nfs/dbraw/zinc/56/57/03/629565703.db2.gz ZEVXWONCRZKAMT-CXDCIMDLSA-N -1 3 267.756 3.137 20 30 CGEDHM Cc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)o1 ZINC000794936935 629602473 /nfs/dbraw/zinc/60/24/73/629602473.db2.gz DBIBODGNNJZDOA-HWKANZROSA-N -1 3 264.227 3.468 20 30 CGEDHM O=C1c2cccc(O)c2C/C1=C/c1c(F)ccc([O-])c1F ZINC000794939201 629603241 /nfs/dbraw/zinc/60/32/41/629603241.db2.gz PTWGLRRSNBACCE-FPLPWBNLSA-N -1 3 288.249 3.198 20 30 CGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(C2CC2)cn1 ZINC000865219049 630027682 /nfs/dbraw/zinc/02/76/82/630027682.db2.gz WRQSQNQVJTYJMV-TZZQWBKVSA-N -1 3 298.317 3.446 20 30 CGEDHM C[C@@H](C#N)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810634834 630913203 /nfs/dbraw/zinc/91/32/03/630913203.db2.gz ODDHBRQQHZGFCS-LURJTMIESA-N -1 3 268.725 3.199 20 30 CGEDHM CC#CCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810663973 630922319 /nfs/dbraw/zinc/92/23/19/630922319.db2.gz LEAFDNNRGLRXJQ-UHFFFAOYSA-N -1 3 267.737 3.453 20 30 CGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC000811186482 631041824 /nfs/dbraw/zinc/04/18/24/631041824.db2.gz PCIIQTFVOAQELJ-SNVBAGLBSA-N -1 3 285.274 3.321 20 30 CGEDHM CCc1nnc(C/N=C/c2cc(Cl)ccc2[O-])s1 ZINC000811625907 631093451 /nfs/dbraw/zinc/09/34/51/631093451.db2.gz YFIYPTXNKJNNNV-MKMNVTDBSA-N -1 3 281.768 3.079 20 30 CGEDHM C=CCO[N-]C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000837048287 634847731 /nfs/dbraw/zinc/84/77/31/634847731.db2.gz QYFIHXKEZABQGX-GJZGRUSLSA-N -1 3 283.412 3.376 20 30 CGEDHM C=CCO[N-]C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000837048920 634848125 /nfs/dbraw/zinc/84/81/25/634848125.db2.gz RRQZAEQGTNKUNM-UHFFFAOYSA-N -1 3 289.375 3.218 20 30 CGEDHM CC1(C)C[C@H](NN=Cc2ccc3ccccc3c2[O-])CCO1 ZINC000814908466 631676151 /nfs/dbraw/zinc/67/61/51/631676151.db2.gz PQLYJDXKWHFIOX-OAHLLOKOSA-N -1 3 298.386 3.427 20 30 CGEDHM CC[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000817706669 632202100 /nfs/dbraw/zinc/20/21/00/632202100.db2.gz DWQWZYQYLWIRDX-PQQGUCMVSA-N -1 3 267.756 3.422 20 30 CGEDHM C=CCN(C(=O)c1cc(SC)ccc1[O-])C(C)C ZINC000826071523 633402824 /nfs/dbraw/zinc/40/28/24/633402824.db2.gz MZHPKPFALHIGEC-UHFFFAOYSA-N -1 3 265.378 3.151 20 30 CGEDHM C=CC(C)(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000872683123 634186150 /nfs/dbraw/zinc/18/61/50/634186150.db2.gz NLIOFOWUWAUCMX-UHFFFAOYSA-N -1 3 265.313 3.100 20 30 CGEDHM Cc1cc([O-])c(CN(C)CC(C)(C)C#N)c(Cl)c1 ZINC000840950260 635090399 /nfs/dbraw/zinc/09/03/99/635090399.db2.gz LSEGTDQAVSFKKA-UHFFFAOYSA-N -1 3 266.772 3.336 20 30 CGEDHM N#Cc1c(NCc2c([O-])cccc2Cl)n[nH]c1C1CC1 ZINC000842219308 635312433 /nfs/dbraw/zinc/31/24/33/635312433.db2.gz YUCACOJPYFPARM-UHFFFAOYSA-N -1 3 288.738 3.130 20 30 CGEDHM COC(=O)[C@@H](CC(C)(C)C)/N=C\c1cc(Cl)ccc1[O-] ZINC000843267024 635628589 /nfs/dbraw/zinc/62/85/89/635628589.db2.gz SIGVQMSFJYWKRA-AXIYWZQUSA-N -1 3 297.782 3.442 20 30 CGEDHM COc1cccc(C/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000127732082 635784536 /nfs/dbraw/zinc/78/45/36/635784536.db2.gz GCIMNKRKYMKQAT-LZYBPNLTSA-N -1 3 276.723 3.068 20 30 CGEDHM C=CC(C)(C)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000879988807 635891929 /nfs/dbraw/zinc/89/19/29/635891929.db2.gz JKBOZYDFPPGWMA-UHFFFAOYSA-N -1 3 261.321 3.136 20 30 CGEDHM C=C(C)CO[N-]C(=O)CC[C@@H]1CCc2ccccc21 ZINC000880547817 636019169 /nfs/dbraw/zinc/01/91/69/636019169.db2.gz DFCTWKWAEVIQFQ-AWEZNQCLSA-N -1 3 259.349 3.121 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(OCCC)cc1 ZINC000846545898 636197979 /nfs/dbraw/zinc/19/79/79/636197979.db2.gz JQNOBNFRRSQTDW-CYBMUJFWSA-N -1 3 277.364 3.030 20 30 CGEDHM CC[C@H](C)CON=c1cc(C#N)c(Br)c[n-]1 ZINC000882391153 636323676 /nfs/dbraw/zinc/32/36/76/636323676.db2.gz BFKDVHMAEYXBOQ-QMMMGPOBSA-N -1 3 284.157 3.105 20 30 CGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccnc1 ZINC000213219272 636439241 /nfs/dbraw/zinc/43/92/41/636439241.db2.gz ZEDQQLMSRCGPSD-MKVDPYIPSA-N -1 3 269.275 3.310 20 30 CGEDHM CC(C)c1nccnc1N=NC(C)c1c([O-])cccc1F ZINC000884456657 637029893 /nfs/dbraw/zinc/02/98/93/637029893.db2.gz MWEFVBAEORPAQY-UHFFFAOYSA-N -1 3 288.326 3.281 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC000856034813 638289076 /nfs/dbraw/zinc/28/90/76/638289076.db2.gz VIWIWPDKJKPTFX-CYBMUJFWSA-N -1 3 277.364 3.203 20 30 CGEDHM C=CCC1(C(=O)NCc2c([O-])cccc2F)CCCC1 ZINC000928706368 638889377 /nfs/dbraw/zinc/88/93/77/638889377.db2.gz RCPYZCSNZVXXAV-UHFFFAOYSA-N -1 3 277.339 3.284 20 30 CGEDHM N#CCCCCOC(=O)c1cc([O-])cc(Br)c1 ZINC000860202257 639309578 /nfs/dbraw/zinc/30/95/78/639309578.db2.gz UNWVQUDJLYSCFX-UHFFFAOYSA-N -1 3 298.136 3.005 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1ccc(Cl)c(F)c1 ZINC000862132396 639649521 /nfs/dbraw/zinc/64/95/21/639649521.db2.gz FNVZMHZSOKCGBH-UHFFFAOYSA-N -1 3 271.719 3.036 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001161832687 806468630 /nfs/dbraw/zinc/46/86/30/806468630.db2.gz RHQDGTHBWFZUIZ-CQSZACIVSA-N -1 3 265.353 3.170 20 30 CGEDHM CSC1(C/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000588610478 799721022 /nfs/dbraw/zinc/72/10/22/799721022.db2.gz OYMWHIVANOWHTL-AUWJEWJLSA-N -1 3 255.770 3.360 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001184315238 810191553 /nfs/dbraw/zinc/19/15/53/810191553.db2.gz VVQCYROERJILFP-CHWSQXEVSA-N -1 3 299.411 3.152 20 30 CGEDHM COc1cc([O-])ccc1-c1nc2c(cc1C#N)CCCC2 ZINC001243981123 803118793 /nfs/dbraw/zinc/11/87/93/803118793.db2.gz QDACCXIGQJKRKY-UHFFFAOYSA-N -1 3 280.327 3.213 20 30 CGEDHM N#CCc1cnc(F)c(-c2ccc(Cl)cc2[O-])c1 ZINC001244473697 803388225 /nfs/dbraw/zinc/38/82/25/803388225.db2.gz XHTYIZWVFVMBDK-UHFFFAOYSA-N -1 3 262.671 3.313 20 30 CGEDHM C=CCOc1cc(C)nc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244506317 803410336 /nfs/dbraw/zinc/41/03/36/803410336.db2.gz MOSSUKJNSDMEMI-UHFFFAOYSA-N -1 3 274.295 3.170 20 30 CGEDHM Cc1cc(-c2cc(C3(C#N)CC3)ccn2)cc([O-])c1F ZINC001244509051 803411692 /nfs/dbraw/zinc/41/16/92/803411692.db2.gz YRYMDBXYQNRZSP-UHFFFAOYSA-N -1 3 268.291 3.457 20 30 CGEDHM CN(C)c1cc(F)cc(-c2ccccc2C=N[O-])c1 ZINC001244798751 803532124 /nfs/dbraw/zinc/53/21/24/803532124.db2.gz HNBGWRWZQLFMTN-UHFFFAOYSA-N -1 3 258.296 3.367 20 30 CGEDHM Cc1c(N)c(F)ccc1-c1cc(/C=N/[O-])ccc1F ZINC001245462461 803750318 /nfs/dbraw/zinc/75/03/18/803750318.db2.gz AKQGGGRLUCJKLZ-CNHKJKLMSA-N -1 3 262.259 3.331 20 30 CGEDHM N#CCCN(Cc1c([O-])cccc1F)C1CCCC1 ZINC001137837626 803780651 /nfs/dbraw/zinc/78/06/51/803780651.db2.gz OFBNZCVLBYOSQT-UHFFFAOYSA-N -1 3 262.328 3.190 20 30 CGEDHM N#CCCN(Cc1cccc(F)c1[O-])C1CCCC1 ZINC001138127632 803864509 /nfs/dbraw/zinc/86/45/09/803864509.db2.gz IOPBJBBDJVXBLB-UHFFFAOYSA-N -1 3 262.328 3.190 20 30 CGEDHM COc1ccc(-c2c([O-])cccc2F)c(CC#N)c1 ZINC001245654172 803886445 /nfs/dbraw/zinc/88/64/45/803886445.db2.gz AQWLOQGJGTUYCP-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM O=C(C#Cc1ccccc1)Nc1cc([O-])cc(Cl)c1 ZINC001142860074 804775890 /nfs/dbraw/zinc/77/58/90/804775890.db2.gz MOYQCDVWIRJFAX-UHFFFAOYSA-N -1 3 271.703 3.036 20 30 CGEDHM COC(=O)c1c(C)cc(Nc2cc(C#N)ccc2[O-])cc1C ZINC001213124099 815241879 /nfs/dbraw/zinc/24/18/79/815241879.db2.gz RFJOAFUXIUHXIU-UHFFFAOYSA-N -1 3 296.326 3.411 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2c(F)ccc(F)c2F)c1 ZINC001175031820 809245945 /nfs/dbraw/zinc/24/59/45/809245945.db2.gz IHVPEOFTHVRVED-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM CC(C)(C)n1ncc(C#N)c1Nc1c(F)cc([O-])cc1F ZINC001175094583 809268629 /nfs/dbraw/zinc/26/86/29/809268629.db2.gz JGUQLJPJVFEKMV-UHFFFAOYSA-N -1 3 292.289 3.237 20 30 CGEDHM Cc1ccccc1[C@@H](C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC001302371527 809593586 /nfs/dbraw/zinc/59/35/86/809593586.db2.gz JROINLRVYSHJGH-AWEZNQCLSA-N -1 3 294.354 3.471 20 30 CGEDHM CCCCCCC[C@H](C)C(=O)NCc1ncccc1[O-] ZINC001181132398 810039497 /nfs/dbraw/zinc/03/94/97/810039497.db2.gz BXVVBKPITVYUJK-ZDUSSCGKSA-N -1 3 278.396 3.400 20 30 CGEDHM O=C(CCc1ccco1)N([O-])Cc1ccccc1Cl ZINC001184284148 810189203 /nfs/dbraw/zinc/18/92/03/810189203.db2.gz ZUKATLZTXBNGRT-UHFFFAOYSA-N -1 3 279.723 3.284 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](CC#N)c1ccccc1 ZINC001184305747 810190193 /nfs/dbraw/zinc/19/01/93/810190193.db2.gz PATTUNMCPATBHU-HNNXBMFYSA-N -1 3 274.364 3.482 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](OC)C1CCCCC1 ZINC001184315158 810190808 /nfs/dbraw/zinc/19/08/08/810190808.db2.gz RTUZUUCOBJJYBK-AWEZNQCLSA-N -1 3 271.401 3.380 20 30 CGEDHM Cc1ncc(C#N)cc1Nc1ccc(Cl)cc1[O-] ZINC001214405093 815404869 /nfs/dbraw/zinc/40/48/69/815404869.db2.gz OMDPJGRIZNBADY-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM C=CC[C@@H](NC(=O)c1nc(C)ccc1[O-])c1ccccc1 ZINC001195335868 811242429 /nfs/dbraw/zinc/24/24/29/811242429.db2.gz QIWXBJPUJWKRKS-CQSZACIVSA-N -1 3 282.343 3.143 20 30 CGEDHM Cc1c(F)ccc(F)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001196735173 811360929 /nfs/dbraw/zinc/36/09/29/811360929.db2.gz AWTOZSWXRXZYDP-UHFFFAOYSA-N -1 3 288.253 3.103 20 30 CGEDHM N#CCc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222805 811799099 /nfs/dbraw/zinc/79/90/99/811799099.db2.gz SDJGWXZPBWMIMM-UHFFFAOYSA-N -1 3 269.260 3.110 20 30 CGEDHM N#CCc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC001201232627 811802959 /nfs/dbraw/zinc/80/29/59/811802959.db2.gz STKMFCZPUPZZFL-UHFFFAOYSA-N -1 3 287.250 3.249 20 30 CGEDHM N#Cc1ccc(Nc2cncc([O-])c2)c(C(F)(F)F)c1 ZINC001201639775 811927222 /nfs/dbraw/zinc/92/72/22/811927222.db2.gz RODDTMUXPGEQET-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM N#Cc1cc(OC(F)(F)F)ccc1Nc1cncc([O-])c1 ZINC001201646731 811929962 /nfs/dbraw/zinc/92/99/62/811929962.db2.gz MUPKUKIUWXXERK-UHFFFAOYSA-N -1 3 295.220 3.301 20 30 CGEDHM Cc1cccc(NC(=O)Nc2ccc([O-])cc2C#N)c1 ZINC001202315210 812062755 /nfs/dbraw/zinc/06/27/55/812062755.db2.gz WPRSMGFLDGACHT-UHFFFAOYSA-N -1 3 267.288 3.216 20 30 CGEDHM N#C[C@@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC001203645920 812414319 /nfs/dbraw/zinc/41/43/19/812414319.db2.gz WMPDPDDGFGECPM-LBPRGKRZSA-N -1 3 295.180 3.033 20 30 CGEDHM N#Cc1cc(Nc2cccc(F)c2[O-])cc(F)c1F ZINC001210199354 814335121 /nfs/dbraw/zinc/33/51/21/814335121.db2.gz FPNKGVLEMVOSBE-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM COc1c(C#N)c(F)ccc1-c1cc([O-])ccc1F ZINC001242765103 823126081 /nfs/dbraw/zinc/12/60/81/823126081.db2.gz BWXAUTOQHVNMBM-UHFFFAOYSA-N -1 3 261.227 3.218 20 30 CGEDHM N#Cc1cc(Nc2ccc([O-])cc2F)cc([N+](=O)[O-])c1 ZINC001211327305 814878800 /nfs/dbraw/zinc/87/88/00/814878800.db2.gz COZZVPHFRKBDBF-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM [O-]c1cc(-c2ccc3c(c2)CC/C3=N/O)ccc1F ZINC001243063087 823232683 /nfs/dbraw/zinc/23/26/83/823232683.db2.gz TXSKPKQLTORBBG-VKAVYKQESA-N -1 3 257.264 3.323 20 30 CGEDHM Cc1ccc2c(c1)CC[C@H]2Oc1[n-]c(C)cc(=O)c1C#N ZINC001225467807 817062928 /nfs/dbraw/zinc/06/29/28/817062928.db2.gz XAURWHKWMKFMAZ-MRXNPFEDSA-N -1 3 280.327 3.342 20 30 CGEDHM C=C(C)C[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)C(=C)C ZINC001225577330 817098390 /nfs/dbraw/zinc/09/83/90/817098390.db2.gz VJVDFURTGCJBJD-SNVBAGLBSA-N -1 3 288.269 3.491 20 30 CGEDHM C=C(C)C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)C(=C)C ZINC001225577328 817098469 /nfs/dbraw/zinc/09/84/69/817098469.db2.gz VJVDFURTGCJBJD-JTQLQIEISA-N -1 3 288.269 3.491 20 30 CGEDHM C[C@@H](Oc1cccc(/C=N/[O-])c1)c1cnc2ccccn21 ZINC001226109798 817275102 /nfs/dbraw/zinc/27/51/02/817275102.db2.gz JOUARMSAUHJICQ-SGEFVQMOSA-N -1 3 281.315 3.282 20 30 CGEDHM C[C@@H](COc1cccc(/C=N/[O-])c1)OCc1ccccc1 ZINC001226115230 817276410 /nfs/dbraw/zinc/27/64/10/817276410.db2.gz YWAJQKXEJOYEQE-BGARDKSCSA-N -1 3 285.343 3.479 20 30 CGEDHM [O-]/N=C/c1cccc(O[C@@H](c2cccnc2)C2CC2)c1 ZINC001226114434 817277204 /nfs/dbraw/zinc/27/72/04/817277204.db2.gz JJPSQYSESGHVRG-VHWUNXFSSA-N -1 3 268.316 3.420 20 30 CGEDHM CC#CC[C@H](CC)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120900 817279492 /nfs/dbraw/zinc/27/94/92/817279492.db2.gz WISREIIVUOXUAD-NSHDSACASA-N -1 3 262.378 3.214 20 30 CGEDHM C=CC[C@H](Oc1cc(=O)[n-]c(CC)n1)c1ccccc1 ZINC001226474656 817369130 /nfs/dbraw/zinc/36/91/30/817369130.db2.gz GDPHDBVMNIDHOV-ZDUSSCGKSA-N -1 3 270.332 3.441 20 30 CGEDHM C#C[C@H](Oc1cccc([O-])c1Cl)c1ccncc1 ZINC001226710256 817441787 /nfs/dbraw/zinc/44/17/87/817441787.db2.gz WXHUJIUDEIFPJI-LBPRGKRZSA-N -1 3 259.692 3.194 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1cc(C)nc(=S)[n-]1 ZINC001226803177 817470206 /nfs/dbraw/zinc/47/02/06/817470206.db2.gz QHRMYXGPGIGRGK-NSHDSACASA-N -1 3 262.378 3.057 20 30 CGEDHM COCOc1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001243185647 823279794 /nfs/dbraw/zinc/27/97/94/823279794.db2.gz ZXFHJMTXRWZQFE-RQZCQDPDSA-N -1 3 275.279 3.284 20 30 CGEDHM C=C[C@H](CCCCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695656 817974665 /nfs/dbraw/zinc/97/46/65/817974665.db2.gz OOJHVOLRQNUVIA-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@H](CCCCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695656 817974670 /nfs/dbraw/zinc/97/46/70/817974670.db2.gz OOJHVOLRQNUVIA-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM C=C[C@H](CCCCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695656 817974676 /nfs/dbraw/zinc/97/46/76/817974676.db2.gz OOJHVOLRQNUVIA-CYBMUJFWSA-N -1 3 272.352 3.380 20 30 CGEDHM Nc1ccc(F)c(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001243286823 823328314 /nfs/dbraw/zinc/32/83/14/823328314.db2.gz RGRDEFMRKZADDE-SDXDJHTJSA-N -1 3 256.280 3.199 20 30 CGEDHM CCN(Cc1cc(C#N)ccc1[O-])Cc1ccccc1F ZINC001232677136 818416533 /nfs/dbraw/zinc/41/65/33/818416533.db2.gz BDQWUAUODMFIAP-UHFFFAOYSA-N -1 3 284.334 3.425 20 30 CGEDHM N#C[C@@H]1CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC001232788278 818441255 /nfs/dbraw/zinc/44/12/55/818441255.db2.gz LUBRELIRDPMDHR-LLVKDONJSA-N -1 3 264.756 3.171 20 30 CGEDHM CCC#C[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233499280 818629285 /nfs/dbraw/zinc/62/92/85/818629285.db2.gz NQPYDMNSZBZNHS-MRVPVSSYSA-N -1 3 293.710 3.305 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@@H](C#N)c1ccccc1 ZINC001233524252 818632094 /nfs/dbraw/zinc/63/20/94/818632094.db2.gz MDAHVGJOEADBHR-KRWDZBQOSA-N -1 3 276.295 3.427 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)COC(C)(C)C ZINC001233799585 818707582 /nfs/dbraw/zinc/70/75/82/818707582.db2.gz LUZUULWCFCQWBQ-LKBVRNOZSA-N -1 3 281.352 3.086 20 30 CGEDHM N#C[C@H](Oc1cccc([O-])c1F)c1cccc(F)c1 ZINC001233868904 818720534 /nfs/dbraw/zinc/72/05/34/818720534.db2.gz CVLIXWDZYQNRKV-ZDUSSCGKSA-N -1 3 261.227 3.314 20 30 CGEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC001234144682 818790272 /nfs/dbraw/zinc/79/02/72/818790272.db2.gz SMDIPIDQCFEIFR-SNVBAGLBSA-N -1 3 284.271 3.312 20 30 CGEDHM CC(C)Oc1ccc(COc2cc([O-])cc(C#N)c2)cn1 ZINC001234144546 818790490 /nfs/dbraw/zinc/79/04/90/818790490.db2.gz PTTRXIXZVHAOCS-UHFFFAOYSA-N -1 3 284.315 3.025 20 30 CGEDHM COc1ccc2ccc([O-])c(CN3CCC[C@H]3C#N)c2c1 ZINC001234519238 818871816 /nfs/dbraw/zinc/87/18/16/818871816.db2.gz TZYGVJXQXALIQQ-ZDUSSCGKSA-N -1 3 282.343 3.042 20 30 CGEDHM CC#CC[C@@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792480 818924662 /nfs/dbraw/zinc/92/46/62/818924662.db2.gz BPKUEADFWKSTPP-CYBMUJFWSA-N -1 3 290.359 3.483 20 30 CGEDHM C[C@H](C#N)N(C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996398 818971897 /nfs/dbraw/zinc/97/18/97/818971897.db2.gz CCRFUNNCHYRBJD-CYBMUJFWSA-N -1 3 266.344 3.403 20 30 CGEDHM N#CCc1cc(-c2cc(F)ccc2[O-])ccc1C#N ZINC001240696424 821252015 /nfs/dbraw/zinc/25/20/15/821252015.db2.gz CTMNAWUVEHSXTB-UHFFFAOYSA-N -1 3 252.248 3.136 20 30 CGEDHM Cn1ccc2cc(-c3cc(/C=N/[O-])ccc3F)cnc21 ZINC001240844548 821364734 /nfs/dbraw/zinc/36/47/34/821364734.db2.gz FVWSFOOQJGFIIQ-QGMBQPNBSA-N -1 3 269.279 3.188 20 30 CGEDHM Cc1c[nH]c2ncc(-c3cc(/C=N/[O-])ccc3F)cc12 ZINC001240963131 821449991 /nfs/dbraw/zinc/44/99/91/821449991.db2.gz JAVXDTSBXNVIGZ-FBCYGCLPSA-N -1 3 269.279 3.486 20 30 CGEDHM N#CCOc1cc(F)ccc1-c1c(F)ccc([O-])c1F ZINC001241292729 821709436 /nfs/dbraw/zinc/70/94/36/821709436.db2.gz INJOPCCXBZHBFX-UHFFFAOYSA-N -1 3 279.217 3.379 20 30 CGEDHM Cc1n[nH]c2cc(-c3ccccc3C=N[O-])ccc12 ZINC001241642204 822026881 /nfs/dbraw/zinc/02/68/81/822026881.db2.gz JFCAHTRTQXMDDX-UHFFFAOYSA-N -1 3 251.289 3.346 20 30 CGEDHM C#Cc1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001241917625 822217314 /nfs/dbraw/zinc/21/73/14/822217314.db2.gz UZOWXACXIARPSW-UHFFFAOYSA-N -1 3 280.274 3.432 20 30 CGEDHM Cc1ccoc1CC(=O)N([O-])CCCCc1ccccc1 ZINC001458006882 937448327 /nfs/dbraw/zinc/44/83/27/937448327.db2.gz BRHAJPQJJSDDCS-UHFFFAOYSA-N -1 3 287.359 3.371 20 30 CGEDHM CCCCCCN([O-])C(=O)COc1ccc(C)c(C)c1 ZINC001458010653 937448438 /nfs/dbraw/zinc/44/84/38/937448438.db2.gz VNHWQZAHMTUZQP-UHFFFAOYSA-N -1 3 279.380 3.480 20 30 CGEDHM CCCCCCN([O-])C(=O)COc1ccc(OC)c(C)c1 ZINC001458010691 937448447 /nfs/dbraw/zinc/44/84/47/937448447.db2.gz JOGVJKGGKGNORF-UHFFFAOYSA-N -1 3 295.379 3.181 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001458021565 937449285 /nfs/dbraw/zinc/44/92/85/937449285.db2.gz GYANWQIYLZYJGY-ZYHUDNBSSA-N -1 3 269.291 3.086 20 30 CGEDHM C=C[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229100435 932095287 /nfs/dbraw/zinc/09/52/87/932095287.db2.gz RWSGISFXGADHSU-QMMMGPOBSA-N -1 3 273.126 3.204 20 30 CGEDHM C[C@@H](C#N)Oc1ccccc1NCc1ccc([O-])c(F)c1 ZINC001461989283 937610581 /nfs/dbraw/zinc/61/05/81/937610581.db2.gz QESCBXZGBLVZMO-NSHDSACASA-N -1 3 286.306 3.434 20 30 CGEDHM N#C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3cccc(Cl)c32)C1 ZINC001230881857 932634151 /nfs/dbraw/zinc/63/41/51/932634151.db2.gz BFMXJBPLRNSDPM-DTWKUNHWSA-N -1 3 289.722 3.060 20 30 CGEDHM N#C[C@@H](Oc1nc2ccsc2[n-]1)c1cccc(F)c1 ZINC001234853540 932687594 /nfs/dbraw/zinc/68/75/94/932687594.db2.gz GZKXZAFMJZQKHH-LLVKDONJSA-N -1 3 273.292 3.407 20 30 CGEDHM N#Cc1cc(-c2ccc(F)c(-n3ccnc3)c2)ccc1[O-] ZINC001242566109 932702999 /nfs/dbraw/zinc/70/29/99/932702999.db2.gz JHCFVVNRJCMSBW-UHFFFAOYSA-N -1 3 279.274 3.256 20 30 CGEDHM C/C=C(/CC)C(=O)N([O-])Cc1ccccc1Cl ZINC001306894727 932890925 /nfs/dbraw/zinc/89/09/25/932890925.db2.gz PKFAMHOQBITRCZ-KMKOMSMNSA-N -1 3 253.729 3.414 20 30 CGEDHM N#Cc1cc(C(=O)[N-]c2cc(-c3cccs3)on2)co1 ZINC001306870894 932889899 /nfs/dbraw/zinc/88/98/99/932889899.db2.gz AIKCADOTBVDWKQ-UHFFFAOYSA-N -1 3 285.284 3.120 20 30 CGEDHM O=C([C@H]1CCCS1)N([O-])CCCCc1ccccc1 ZINC001306896412 932891046 /nfs/dbraw/zinc/89/10/46/932891046.db2.gz WDLXCWUTHDDSFH-CQSZACIVSA-N -1 3 279.405 3.123 20 30 CGEDHM CCCCN([O-])C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001306897177 932893116 /nfs/dbraw/zinc/89/31/16/932893116.db2.gz BZOXVULUPWTKEQ-LLVKDONJSA-N -1 3 253.317 3.337 20 30 CGEDHM CC(=O)c1csc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001306900398 932893173 /nfs/dbraw/zinc/89/31/73/932893173.db2.gz NLQSFGPELSERJZ-UHFFFAOYSA-N -1 3 293.319 3.121 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cn(-c2ccccc2)cn1 ZINC001472621424 937778438 /nfs/dbraw/zinc/77/84/38/937778438.db2.gz UJLDJKOHRGAYLJ-UHFFFAOYSA-N -1 3 287.363 3.284 20 30 CGEDHM O=C(/C=C\c1ccc[nH]1)N([O-])Cc1ccccc1Cl ZINC001472620316 937778630 /nfs/dbraw/zinc/77/86/30/937778630.db2.gz XNTWHAGWBXNYJK-FPLPWBNLSA-N -1 3 276.723 3.099 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1ccc2ccccc2c1O ZINC001557329694 938209358 /nfs/dbraw/zinc/20/93/58/938209358.db2.gz NTZUXSYBUJDDDM-UHFFFAOYSA-N -1 3 285.343 3.102 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2cc(-c3ccccc3F)on2)o1 ZINC001558972042 938218621 /nfs/dbraw/zinc/21/86/21/938218621.db2.gz PZTOTRKNWKTLBL-UHFFFAOYSA-N -1 3 297.245 3.198 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](c1ccccc1)N(CC)CC ZINC001559035349 938219231 /nfs/dbraw/zinc/21/92/31/938219231.db2.gz NAHPJQFTCWENSG-HNNXBMFYSA-N -1 3 278.396 3.087 20 30 CGEDHM N#CCc1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001560837721 938278889 /nfs/dbraw/zinc/27/88/89/938278889.db2.gz ZTYUGJLFSKSQJF-UHFFFAOYSA-N -1 3 274.270 3.349 20 30 CGEDHM COc1ccc(NCc2cc(F)c(F)cc2[O-])cc1C#N ZINC001560976963 938287395 /nfs/dbraw/zinc/28/73/95/938287395.db2.gz WHTHDUZXCCXJSO-UHFFFAOYSA-N -1 3 290.269 3.163 20 30 CGEDHM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(C#N)ccc1F ZINC001583534879 962817956 /nfs/dbraw/zinc/81/79/56/962817956.db2.gz XVVDEFYBZYGYTE-UHFFFAOYSA-N -1 3 295.220 3.184 20 30 CGEDHM C=C(CC)COc1c(-c2nnn[n-]2)cnc2ccc(C)cc21 ZINC001588444251 963267341 /nfs/dbraw/zinc/26/73/41/963267341.db2.gz SWNQOIXHALALQE-UHFFFAOYSA-N -1 3 295.346 3.068 20 30 CGEDHM C=C(CC)COc1c(-c2nn[n-]n2)cnc2ccc(C)cc21 ZINC001588444251 963267349 /nfs/dbraw/zinc/26/73/49/963267349.db2.gz SWNQOIXHALALQE-UHFFFAOYSA-N -1 3 295.346 3.068 20 30 CGEDHM C#CCCCCCCOc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588345778 963269812 /nfs/dbraw/zinc/26/98/12/963269812.db2.gz KXLFUPZVMIZYEZ-UHFFFAOYSA-N -1 3 284.363 3.138 20 30 CGEDHM C=CCCC(CCC)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001588577875 963284994 /nfs/dbraw/zinc/28/49/94/963284994.db2.gz QDTHQRBXPCUVEY-UHFFFAOYSA-N -1 3 298.394 3.079 20 30 CGEDHM C=CCCC(CCC)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001588577875 963285007 /nfs/dbraw/zinc/28/50/07/963285007.db2.gz QDTHQRBXPCUVEY-UHFFFAOYSA-N -1 3 298.394 3.079 20 30 CGEDHM C=C(CC)CN1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001588605750 963291049 /nfs/dbraw/zinc/29/10/49/963291049.db2.gz LLXGMSCVLGZJTA-CQSZACIVSA-N -1 3 276.380 3.217 20 30 CGEDHM C=CCN(CCc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC001588828824 963322961 /nfs/dbraw/zinc/32/29/61/963322961.db2.gz OUCPEMFEAVHRGQ-UHFFFAOYSA-N -1 3 296.370 3.011 20 30 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N#CCC[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000182883175 329245744 /nfs/dbraw/zinc/24/57/44/329245744.db2.gz XDNUDLUFXODHIZ-INIZCTEOSA-N -1 3 280.327 3.167 20 30 CGEDHM C=CCC1(C(=O)Nc2ccc(Cl)cc2[O-])CCOCC1 ZINC000424751276 330464207 /nfs/dbraw/zinc/46/42/07/330464207.db2.gz MLQIJHZQLIAHBU-UHFFFAOYSA-N -1 3 295.766 3.357 20 30 CGEDHM C=C[C@@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436579851 330680704 /nfs/dbraw/zinc/68/07/04/330680704.db2.gz BCTBGUBPFXWTOW-CYBMUJFWSA-N -1 3 297.354 3.276 20 30 CGEDHM C=CC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000451022047 331012106 /nfs/dbraw/zinc/01/21/06/331012106.db2.gz GQWXWCRPEQDGRY-UHFFFAOYSA-N -1 3 289.253 3.442 20 30 CGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000465483931 331384372 /nfs/dbraw/zinc/38/43/72/331384372.db2.gz QDRRGZIFEGBXNB-QMMMGPOBSA-N -1 3 294.203 3.155 20 30 CGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000465502462 331384474 /nfs/dbraw/zinc/38/44/74/331384474.db2.gz BAHDOBAHUWMXRH-SNVBAGLBSA-N -1 3 295.791 3.346 20 30 CGEDHM Cc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1[O-] ZINC000226715493 333268183 /nfs/dbraw/zinc/26/81/83/333268183.db2.gz TXHGJPCBTDOJQV-UHFFFAOYSA-N -1 3 266.300 3.019 20 30 CGEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(F)c1 ZINC000158996524 334817930 /nfs/dbraw/zinc/81/79/30/334817930.db2.gz VRNNGUSNPQMMQC-MRXNPFEDSA-N -1 3 298.317 3.284 20 30 CGEDHM CCc1c([N-]C(=O)[C@@](C)(C#N)CC)onc1C(F)(F)F ZINC000578450773 335636278 /nfs/dbraw/zinc/63/62/78/335636278.db2.gz KYAHEWDEIGTBOJ-LLVKDONJSA-N -1 3 289.257 3.134 20 30 CGEDHM [O-]c1ccc2ccccc2c1C=NNC1CCCC1 ZINC000727652625 571760314 /nfs/dbraw/zinc/76/03/14/571760314.db2.gz MSQYSEXBQJKGIJ-UHFFFAOYSA-N -1 3 254.333 3.412 20 30 CGEDHM CCCC[C@@H]1CCC[C@@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000727781905 571768983 /nfs/dbraw/zinc/76/89/83/571768983.db2.gz ZPMQJXAYCUSJNF-PPWBVHDNSA-N -1 3 290.407 3.366 20 30 CGEDHM Cc1ccc([O-])c(C=NN=c2ccc3ccccc3[nH]2)n1 ZINC000728778410 571820674 /nfs/dbraw/zinc/82/06/74/571820674.db2.gz PTSYJJKCDYHCRC-UHFFFAOYSA-N -1 3 278.315 3.090 20 30 CGEDHM C#CCOc1cccc(N=Cc2c([O-])cccc2OC)c1 ZINC000730952134 572386043 /nfs/dbraw/zinc/38/60/43/572386043.db2.gz SNXRAGGGHDGTEA-UHFFFAOYSA-N -1 3 281.311 3.163 20 30 CGEDHM COc1cccc([O-])c1/C=N/C[C@@H]1CCOc2ccccc21 ZINC000731155153 572398267 /nfs/dbraw/zinc/39/82/67/572398267.db2.gz APWHVKXCFTWUAM-HCZVKUGISA-N -1 3 297.354 3.386 20 30 CGEDHM Cc1cccc([C@@H](C)C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000741166329 572486967 /nfs/dbraw/zinc/48/69/67/572486967.db2.gz ZWGRWHWUQAEMGE-UZPSYVQNSA-N -1 3 298.386 3.119 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000741465081 572500847 /nfs/dbraw/zinc/50/08/47/572500847.db2.gz SVIUXPJYMCJAHX-GWTMQNKISA-N -1 3 281.355 3.451 20 30 CGEDHM C#CCOc1cc(F)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000741639940 572516193 /nfs/dbraw/zinc/51/61/93/572516193.db2.gz SQSZGNMBHDOFDD-UHFFFAOYSA-N -1 3 299.301 3.104 20 30 CGEDHM Cc1cccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1C ZINC000734366284 572649881 /nfs/dbraw/zinc/64/98/81/572649881.db2.gz LPAZFMHFZAXPHM-QOJWJBQSSA-N -1 3 298.386 3.385 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@H](C)c1cccc(C#N)c1 ZINC000743501361 572666574 /nfs/dbraw/zinc/66/65/74/572666574.db2.gz JPTIINARVHCGDM-ZDFPAGSVSA-N -1 3 280.327 3.453 20 30 CGEDHM C=CCCCCCN(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000736098150 572768775 /nfs/dbraw/zinc/76/87/75/572768775.db2.gz SJLWHQQCKVOLBH-UHFFFAOYSA-N -1 3 265.353 3.464 20 30 CGEDHM N#CCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746077798 572850667 /nfs/dbraw/zinc/85/06/67/572850667.db2.gz BRHQQSLTGIGABY-UHFFFAOYSA-N -1 3 287.702 3.393 20 30 CGEDHM Cc1ncc(CO)c(C=Nc2cccc(Cl)c2F)c1[O-] ZINC000747712958 572942825 /nfs/dbraw/zinc/94/28/25/572942825.db2.gz LKKTWELALQNSFX-UHFFFAOYSA-N -1 3 294.713 3.131 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N\Cc1ccon1 ZINC000747864543 572952010 /nfs/dbraw/zinc/95/20/10/572952010.db2.gz OOTXMVQUVDRFBY-YBEGLDIGSA-N -1 3 252.273 3.153 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccc(Cl)nc2)ccc1[O-] ZINC000748998463 572987980 /nfs/dbraw/zinc/98/79/80/572987980.db2.gz LRJBTRMZBXBXES-GORDUTHDSA-N -1 3 289.718 3.345 20 30 CGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC(C)(C)C[C@H]2C)c1[O-] ZINC000749008292 572988180 /nfs/dbraw/zinc/98/81/80/572988180.db2.gz UOBSBINNJCTLHQ-HZZRQHDUSA-N -1 3 290.407 3.222 20 30 CGEDHM CCOc1ccc(/C=N\C[C@H](C)c2ccncc2)c([O-])c1 ZINC000749846588 573047644 /nfs/dbraw/zinc/04/76/44/573047644.db2.gz YOJAFDALLCKXFA-QXGSTRBFSA-N -1 3 284.359 3.409 20 30 CGEDHM C=C(CC)CSCc1ccc(-c2nn[n-]n2)cc1OC ZINC000823882986 608298721 /nfs/dbraw/zinc/29/87/21/608298721.db2.gz HPKLVKOEOQSJPY-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C=CCN(Cc1ccc([O-])c(F)c1)CC(F)(F)F ZINC000891796052 618302157 /nfs/dbraw/zinc/30/21/57/618302157.db2.gz AQPGRMLPVWPAML-UHFFFAOYSA-N -1 3 263.234 3.082 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cnn(C3CCC3)c2)cc(O)c1[O-] ZINC000899380225 620688039 /nfs/dbraw/zinc/68/80/39/620688039.db2.gz FQPWNOOVJIDSQL-AATRIKPKSA-N -1 3 298.342 3.224 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822284761 606303856 /nfs/dbraw/zinc/30/38/56/606303856.db2.gz ZBTOBESGMZFUQC-AATRIKPKSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822284761 606303859 /nfs/dbraw/zinc/30/38/59/606303859.db2.gz ZBTOBESGMZFUQC-AATRIKPKSA-N -1 3 296.355 3.133 20 30 CGEDHM CC(CC1CCCC1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824394308 607782828 /nfs/dbraw/zinc/78/28/28/607782828.db2.gz XFGWIXLTMXWKFU-UHFFFAOYSA-N -1 3 284.367 3.235 20 30 CGEDHM CC(CC1CCCC1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824394308 607782829 /nfs/dbraw/zinc/78/28/29/607782829.db2.gz XFGWIXLTMXWKFU-UHFFFAOYSA-N -1 3 284.367 3.235 20 30 CGEDHM C=CCCc1csc(Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823899443 608046264 /nfs/dbraw/zinc/04/62/64/608046264.db2.gz WIWSPDGZILPVBD-UHFFFAOYSA-N -1 3 298.375 3.185 20 30 CGEDHM C=C(CC)CSCc1ccc(-c2nnn[n-]2)cc1OC ZINC000823882986 608298719 /nfs/dbraw/zinc/29/87/19/608298719.db2.gz HPKLVKOEOQSJPY-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C=CC[C@H]1CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000890553792 617637136 /nfs/dbraw/zinc/63/71/36/617637136.db2.gz BFVJYPDZUVZNBO-NSHDSACASA-N -1 3 285.265 3.202 20 30 CGEDHM CO[C@@H]1CCCC[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000132363504 618493379 /nfs/dbraw/zinc/49/33/79/618493379.db2.gz GWXIKYPRZPAUGV-BGYOFBTKSA-N -1 3 267.756 3.422 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCCc1ccccn1 ZINC000178764092 619385033 /nfs/dbraw/zinc/38/50/33/619385033.db2.gz QQPQBQHMPIUYSZ-GZTJUZNOSA-N -1 3 274.751 3.492 20 30 CGEDHM C=CCC[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OCC ZINC000840708144 620092859 /nfs/dbraw/zinc/09/28/59/620092859.db2.gz DGBHNPPNBHKGKP-NWRYFCBHSA-N -1 3 295.766 3.362 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1nnc(C2CC2)s1 ZINC000840712065 620140553 /nfs/dbraw/zinc/14/05/53/620140553.db2.gz FRRHWFOEXMLMQN-UUASQNMZSA-N -1 3 293.779 3.394 20 30 CGEDHM C=C1CCC(C(=O)Nc2cccc(C(C)=O)c2[O-])CC1 ZINC000897764588 620424911 /nfs/dbraw/zinc/42/49/11/620424911.db2.gz KJKPWKAANZYJQY-UHFFFAOYSA-N -1 3 273.332 3.280 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCOC1CCSCC1 ZINC000899233385 620629423 /nfs/dbraw/zinc/62/94/23/620629423.db2.gz HDBCSUARQAPEDC-MHWRWJLKSA-N -1 3 299.823 3.377 20 30 CGEDHM CC(=NOCCC(F)(F)F)c1cc([O-])cc(F)c1 ZINC000901222735 620847256 /nfs/dbraw/zinc/84/72/56/620847256.db2.gz RPUZDEPMRBKXGV-UHFFFAOYSA-N -1 3 265.206 3.224 20 30 CGEDHM COCc1sccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372719 620867299 /nfs/dbraw/zinc/86/72/99/620867299.db2.gz KOVFCNAIXDXXAP-UHFFFAOYSA-N -1 3 295.335 3.065 20 30 CGEDHM O=C(c1ccoc1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000901373440 620867528 /nfs/dbraw/zinc/86/75/28/620867528.db2.gz ZYSGDJICRJWCNX-UHFFFAOYSA-N -1 3 275.279 3.328 20 30 CGEDHM O=C(CC1=CCCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901376423 620868743 /nfs/dbraw/zinc/86/87/43/620868743.db2.gz SEFQFBMKTVBZLT-UHFFFAOYSA-N -1 3 263.312 3.434 20 30 CGEDHM O=C(CC1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901378929 620868919 /nfs/dbraw/zinc/86/89/19/620868919.db2.gz MNJYUSHGMQDXFY-UHFFFAOYSA-N -1 3 251.301 3.124 20 30 CGEDHM Cn1cccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379636 620869112 /nfs/dbraw/zinc/86/91/12/620869112.db2.gz MLUUGTDTIIFXSA-UHFFFAOYSA-N -1 3 299.157 3.364 20 30 CGEDHM Cc1nc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)[nH]c1C ZINC000901450966 620884876 /nfs/dbraw/zinc/88/48/76/620884876.db2.gz GOOQPEXVZKDZJP-LOBLAWFCSA-N -1 3 286.306 3.255 20 30 CGEDHM C=C(C)CN(C)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902491081 621343230 /nfs/dbraw/zinc/34/32/30/621343230.db2.gz VICUNOFQVKKADH-UHFFFAOYSA-N -1 3 287.281 3.412 20 30 CGEDHM C=CCN(CCC1(C(=O)[O-])CCC1)Cc1ccccc1F ZINC000903696095 621790701 /nfs/dbraw/zinc/79/07/01/621790701.db2.gz AOAWJSZUMMKNMU-UHFFFAOYSA-N -1 3 291.366 3.459 20 30 CGEDHM O=C(C1CC(F)(F)C1)N([O-])Cc1ccccc1Cl ZINC000904188734 621885965 /nfs/dbraw/zinc/88/59/65/621885965.db2.gz MAHGQFJOAOFVBJ-UHFFFAOYSA-N -1 3 275.682 3.103 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000904207088 621886305 /nfs/dbraw/zinc/88/63/05/621886305.db2.gz QETRBTUPANWYBI-HNNXBMFYSA-N -1 3 264.369 3.259 20 30 CGEDHM CC(C)n1ccc(C(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000904188528 621886320 /nfs/dbraw/zinc/88/63/20/621886320.db2.gz DHVNYYOIVZHEBA-UHFFFAOYSA-N -1 3 293.754 3.149 20 30 CGEDHM O=C([C@@H]1CCCSC1)N([O-])Cc1ccccc1Cl ZINC000904193265 621887385 /nfs/dbraw/zinc/88/73/85/621887385.db2.gz MURHRSBFXWDYSL-LLVKDONJSA-N -1 3 285.796 3.201 20 30 CGEDHM C[C@@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CCO1 ZINC000904197582 621887810 /nfs/dbraw/zinc/88/78/10/621887810.db2.gz IALBBRPZXUNEOP-ZBFHGGJFSA-N -1 3 291.391 3.042 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1Cc2ccccc2O1 ZINC000914701305 623847498 /nfs/dbraw/zinc/84/74/98/623847498.db2.gz FHVXPOKBLNMDFO-RMNBPEERSA-N -1 3 287.746 3.468 20 30 CGEDHM C=CCO[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000837048984 624012856 /nfs/dbraw/zinc/01/28/56/624012856.db2.gz VBZIWFPIRMSVJL-UHFFFAOYSA-N -1 3 287.281 3.262 20 30 CGEDHM O=C(OCC#Cc1ccccc1)c1cc2ccsc2[n-]1 ZINC000920121147 624448902 /nfs/dbraw/zinc/44/89/02/624448902.db2.gz LNBKBXPHGGJYML-UHFFFAOYSA-N -1 3 281.336 3.438 20 30 CGEDHM COc1ccc(NN=C(C)c2ccc([O-])c(F)c2)cc1 ZINC000750946445 626371022 /nfs/dbraw/zinc/37/10/22/626371022.db2.gz RJEBNYASKLULGQ-UHFFFAOYSA-N -1 3 274.295 3.376 20 30 CGEDHM CCOc1cc(C=NN[C@H](C)CC)cc(Cl)c1[O-] ZINC000790184254 626600160 /nfs/dbraw/zinc/60/01/60/626600160.db2.gz SYZDGOARHAYDMA-SECBINFHSA-N -1 3 270.760 3.166 20 30 CGEDHM C=CCCCCCCCC[N-]S(=O)(=O)c1ccco1 ZINC000805136678 626776376 /nfs/dbraw/zinc/77/63/76/626776376.db2.gz NERBHCOPBROZTH-UHFFFAOYSA-N -1 3 285.409 3.475 20 30 CGEDHM CC[C@H](C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000760342138 626961629 /nfs/dbraw/zinc/96/16/29/626961629.db2.gz VZEIXPNZPQLHAD-WFASDCNBSA-N -1 3 279.343 3.480 20 30 CGEDHM C=CCCC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000761371117 627036591 /nfs/dbraw/zinc/03/65/91/627036591.db2.gz UCFFXBKCMUKZMB-UHFFFAOYSA-N -1 3 276.119 3.014 20 30 CGEDHM [O-]c1cccc(Cl)c1C=NOCCC(F)(F)F ZINC000777458882 628273343 /nfs/dbraw/zinc/27/33/43/628273343.db2.gz FJBHUNYKEGDWGD-UHFFFAOYSA-N -1 3 267.634 3.349 20 30 CGEDHM CCCCCCCCCS(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000790167754 629188620 /nfs/dbraw/zinc/18/86/20/629188620.db2.gz KGZDKAJAGZKMGF-UHFFFAOYSA-N -1 3 299.440 3.206 20 30 CGEDHM CCCCCCCCCS(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000790167754 629188622 /nfs/dbraw/zinc/18/86/22/629188622.db2.gz KGZDKAJAGZKMGF-UHFFFAOYSA-N -1 3 299.440 3.206 20 30 CGEDHM C=CCN(CC=C)Cc1c([O-])ccc(Cl)c1F ZINC000792157370 629341692 /nfs/dbraw/zinc/34/16/92/629341692.db2.gz VLUQBDPSHMZQQO-UHFFFAOYSA-N -1 3 255.720 3.359 20 30 CGEDHM COc1cc(C=NN[C@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000793114282 629412996 /nfs/dbraw/zinc/41/29/96/629412996.db2.gz KCGXPASSOIBUNT-SECBINFHSA-N -1 3 284.787 3.412 20 30 CGEDHM S=c1[n-]c2ccccc2nc1N=NC[C@@H]1CC12CC2 ZINC000863125152 629480358 /nfs/dbraw/zinc/48/03/58/629480358.db2.gz OBSUEPIDEXIPJV-VIFPVBQESA-N -1 3 270.361 3.490 20 30 CGEDHM CSCCON=Cc1cc(Cl)cc(C)c1[O-] ZINC000794575031 629558498 /nfs/dbraw/zinc/55/84/98/629558498.db2.gz VDPOVKQANHKQPS-UHFFFAOYSA-N -1 3 259.758 3.068 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cnn2ccccc12 ZINC000794677761 629565507 /nfs/dbraw/zinc/56/55/07/629565507.db2.gz YIXGWAWKKSAMLD-CAOOACKPSA-N -1 3 285.734 3.312 20 30 CGEDHM CCCc1occc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000798815732 630099477 /nfs/dbraw/zinc/09/94/77/630099477.db2.gz CTOKRYMAJQZENH-CQSZACIVSA-N -1 3 296.326 3.193 20 30 CGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1F ZINC000811186244 631040601 /nfs/dbraw/zinc/04/06/01/631040601.db2.gz IGFFXBJUIJLMIP-JTQLQIEISA-N -1 3 285.274 3.321 20 30 CGEDHM COc1cccc([C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811186870 631042117 /nfs/dbraw/zinc/04/21/17/631042117.db2.gz BPSVSEPMTQJOIA-LLVKDONJSA-N -1 3 297.310 3.190 20 30 CGEDHM C=CCO[N-]C(=O)CCCc1cccc(Br)c1 ZINC000837047255 634847828 /nfs/dbraw/zinc/84/78/28/634847828.db2.gz CIJOIJIGXIVUIO-UHFFFAOYSA-N -1 3 298.180 3.006 20 30 CGEDHM CC(C)OCCON=Cc1ccc2ccccc2c1[O-] ZINC000814937122 631691383 /nfs/dbraw/zinc/69/13/83/631691383.db2.gz VRSJPEMWIVQQOL-UHFFFAOYSA-N -1 3 273.332 3.321 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CC12CC2 ZINC000818992300 632360823 /nfs/dbraw/zinc/36/08/23/632360823.db2.gz PIYKXVQFMHKDRX-NGPAHMQLSA-N -1 3 266.138 3.126 20 30 CGEDHM Cc1csc([C@@H](C)N[C@H](C)c2cccc(C#N)c2[O-])n1 ZINC000866256280 633047878 /nfs/dbraw/zinc/04/78/78/633047878.db2.gz IKMBNVBVCYZDRE-GHMZBOCLSA-N -1 3 287.388 3.441 20 30 CGEDHM C=CCC1(C(=O)[N-]OCCC2CC2)CCCCC1 ZINC000832845641 634103412 /nfs/dbraw/zinc/10/34/12/634103412.db2.gz PPHMDZNNVOXGHZ-UHFFFAOYSA-N -1 3 251.370 3.361 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1ccccc1Br ZINC000846538464 636194847 /nfs/dbraw/zinc/19/48/47/636194847.db2.gz RGJXQEUBLIIURU-UHFFFAOYSA-N -1 3 298.180 3.006 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCOc1ccc(Cl)cc1 ZINC000846548949 636199430 /nfs/dbraw/zinc/19/94/30/636199430.db2.gz HXBYATKJZUMKAO-LLVKDONJSA-N -1 3 283.755 3.121 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCCOc1cc(C)ccc1C ZINC000846549130 636199758 /nfs/dbraw/zinc/19/97/58/636199758.db2.gz IAOGKPMCOIXLPT-OAHLLOKOSA-N -1 3 291.391 3.475 20 30 CGEDHM C#C[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000848279223 636550641 /nfs/dbraw/zinc/55/06/41/636550641.db2.gz LBZUZBXBJRQIQJ-ZDUSSCGKSA-N -1 3 279.339 3.031 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000849170505 636762427 /nfs/dbraw/zinc/76/24/27/636762427.db2.gz MODOZMITVZZOBW-PPWBVHDNSA-N -1 3 288.391 3.142 20 30 CGEDHM C[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCCO1 ZINC000132416955 636806789 /nfs/dbraw/zinc/80/67/89/636806789.db2.gz GQEIPWQCAPCLSM-MGMWDDNKSA-N -1 3 253.729 3.034 20 30 CGEDHM N#CCC1(CO[N-]C(=O)CCC2CCCCC2)CC1 ZINC000853665378 637887127 /nfs/dbraw/zinc/88/71/27/637887127.db2.gz JILAZOMFOBABHC-UHFFFAOYSA-N -1 3 264.369 3.089 20 30 CGEDHM CC(C)[C@H](O)Cc1ccccc1-c1ccc([O-])cc1C#N ZINC000854200249 638016793 /nfs/dbraw/zinc/01/67/93/638016793.db2.gz MHLIRQKPXGBXLI-GOSISDBHSA-N -1 3 281.355 3.490 20 30 CGEDHM C#C[C@H]([N-]C(=O)C(F)(F)CC)c1ccc(Cl)cc1 ZINC000854528693 638066591 /nfs/dbraw/zinc/06/65/91/638066591.db2.gz UWZPGPWMPBEECJ-NSHDSACASA-N -1 3 271.694 3.176 20 30 CGEDHM Cc1c(Br)ccc([O-])c1NC(=O)C#CC(C)C ZINC000854689337 638088046 /nfs/dbraw/zinc/08/80/46/638088046.db2.gz SHZYRCVNIAXKAH-UHFFFAOYSA-N -1 3 296.164 3.061 20 30 CGEDHM C[C@@H](C#N)N(C(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC000855582566 638219195 /nfs/dbraw/zinc/21/91/95/638219195.db2.gz JZOYWXRZOMHEHZ-VIFPVBQESA-N -1 3 286.356 3.124 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000856033292 638288727 /nfs/dbraw/zinc/28/87/27/638288727.db2.gz CTRFVSZZCWTPIR-UHFFFAOYSA-N -1 3 287.281 3.262 20 30 CGEDHM CCc1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000041493133 639903461 /nfs/dbraw/zinc/90/34/61/639903461.db2.gz ZACSYWNWJOHDNB-LLVKDONJSA-N -1 3 256.330 3.196 20 30 CGEDHM COc1cc(C(=O)/C=C/c2scnc2C)ccc1[O-] ZINC000078692974 640333674 /nfs/dbraw/zinc/33/36/74/640333674.db2.gz HOABMFCXAFHSKQ-AATRIKPKSA-N -1 3 275.329 3.062 20 30 CGEDHM N#Cc1sccc1NC(=O)c1cc([O-])cc2[nH]ccc21 ZINC001155955086 805627981 /nfs/dbraw/zinc/62/79/81/805627981.db2.gz WURRXWSOXUAXHQ-UHFFFAOYSA-N -1 3 283.312 3.059 20 30 CGEDHM CCCCCCN(O)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001161826457 806465302 /nfs/dbraw/zinc/46/53/02/806465302.db2.gz ANVUJBLRCDFQKF-UHFFFAOYSA-N -1 3 279.336 3.007 20 30 CGEDHM Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)cc(Cl)c1[O-] ZINC001244532573 803423282 /nfs/dbraw/zinc/42/32/82/803423282.db2.gz VUTDPBRDWSQVPU-UHFFFAOYSA-N -1 3 284.706 3.164 20 30 CGEDHM COc1c(F)c(F)ccc1Nc1cc(C#N)ccc1[O-] ZINC001211897841 814953506 /nfs/dbraw/zinc/95/35/06/814953506.db2.gz PNAODCGBJXWWHS-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM Cc1cc(Nc2cc(C#N)ccc2[O-])cc(C)c1O ZINC001211913637 814956721 /nfs/dbraw/zinc/95/67/21/814956721.db2.gz IKTYOLHAWGPJGI-UHFFFAOYSA-N -1 3 254.289 3.330 20 30 CGEDHM C=C(C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001138474202 803946297 /nfs/dbraw/zinc/94/62/97/803946297.db2.gz GQVMYRGXPJEKRH-UHFFFAOYSA-N -1 3 281.355 3.289 20 30 CGEDHM C=CCC1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC001140633777 804479284 /nfs/dbraw/zinc/47/92/84/804479284.db2.gz NRXLJBNEIJUBJG-UHFFFAOYSA-N -1 3 259.349 3.259 20 30 CGEDHM N#Cc1c(F)cccc1Nc1cc(F)cc(F)c1[O-] ZINC001212486084 815037071 /nfs/dbraw/zinc/03/70/71/815037071.db2.gz KUDGHPMJDYFEMG-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM COc1c(F)ccc(Nc2cc(C#N)ccc2[O-])c1F ZINC001212503170 815042740 /nfs/dbraw/zinc/04/27/40/815042740.db2.gz DESBHUCQLWYAMT-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM C=CCC(C)(C)C(=O)Nc1ncc([O-])cc1Br ZINC001144066571 804933081 /nfs/dbraw/zinc/93/30/81/804933081.db2.gz ZZPUEIBFEHBDAV-UHFFFAOYSA-N -1 3 299.168 3.091 20 30 CGEDHM N#Cc1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)ccc1[O-] ZINC001144303822 804972009 /nfs/dbraw/zinc/97/20/09/804972009.db2.gz ONTSBQBOQNVIPA-GRYCIOLGSA-N -1 3 270.332 3.029 20 30 CGEDHM N#Cc1ccc(Cl)nc1Nc1c([O-])cccc1F ZINC001249988575 805347057 /nfs/dbraw/zinc/34/70/57/805347057.db2.gz DUTAJHMVAKVDKR-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM N#Cc1cccc(Nc2ccc(C(F)(F)F)cc2[O-])n1 ZINC001212631016 815089092 /nfs/dbraw/zinc/08/90/92/815089092.db2.gz ZPJUYQCMQFVMJT-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC001259640366 807683390 /nfs/dbraw/zinc/68/33/90/807683390.db2.gz PSJFUBNVJPNJCY-UHFFFAOYSA-N -1 3 297.326 3.110 20 30 CGEDHM C=CCCCNc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001170298702 807819855 /nfs/dbraw/zinc/81/98/55/807819855.db2.gz KELPKLUZYONLGQ-UHFFFAOYSA-N -1 3 263.288 3.162 20 30 CGEDHM N#Cc1nc(Cl)ccc1Nc1c(F)cc([O-])cc1F ZINC001175094834 809268732 /nfs/dbraw/zinc/26/87/32/809268732.db2.gz SPSVDCBGJQGPIU-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM COc1cc(Nc2c(F)cc([O-])cc2F)ccc1C#N ZINC001175097662 809269966 /nfs/dbraw/zinc/26/99/66/809269966.db2.gz SLEVAXRPGXCVOT-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM CCc1[nH]ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283823 810189195 /nfs/dbraw/zinc/18/91/95/810189195.db2.gz RTHMSDXRFDETOD-UHFFFAOYSA-N -1 3 278.739 3.262 20 30 CGEDHM CCCCN([O-])C(=O)Cc1ccc(CC(C)C)cc1 ZINC001184314628 810190745 /nfs/dbraw/zinc/19/07/45/810190745.db2.gz CRUIPEABVLZIFO-UHFFFAOYSA-N -1 3 263.381 3.446 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ncnc2ccsc21 ZINC001184314783 810190870 /nfs/dbraw/zinc/19/08/70/810190870.db2.gz KFAFCAHNMMKOOB-UHFFFAOYSA-N -1 3 279.365 3.103 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cccnc2N2CCCC2)c1 ZINC001184968996 810226417 /nfs/dbraw/zinc/22/64/17/810226417.db2.gz TYUYJMQGFUZWOT-UHFFFAOYSA-N -1 3 280.331 3.003 20 30 CGEDHM COc1ccccc1[C@H](C)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001187685346 810416342 /nfs/dbraw/zinc/41/63/42/810416342.db2.gz AQFXTNVRMCRFHM-NSHDSACASA-N -1 3 296.326 3.015 20 30 CGEDHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001188655323 810500599 /nfs/dbraw/zinc/50/05/99/810500599.db2.gz OYNGAXURNHYHCU-LBPRGKRZSA-N -1 3 280.327 3.063 20 30 CGEDHM Cc1cc(F)cc(C)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001189286640 810555814 /nfs/dbraw/zinc/55/58/14/810555814.db2.gz RXBILRWPDRCZDT-UHFFFAOYSA-N -1 3 284.290 3.272 20 30 CGEDHM COCOc1ccc(C)cc1Nc1cc(C#N)ccc1[O-] ZINC001214243700 815391231 /nfs/dbraw/zinc/39/12/31/815391231.db2.gz JGNICCRJKOCHGH-UHFFFAOYSA-N -1 3 284.315 3.299 20 30 CGEDHM N#Cc1ccc(Br)cc1Nc1cncc([O-])c1 ZINC001201639445 811927462 /nfs/dbraw/zinc/92/74/62/811927462.db2.gz CKVHHMASWLULQB-UHFFFAOYSA-N -1 3 290.120 3.165 20 30 CGEDHM CCCN(CCC#N)Cc1cc(Br)ccc1[O-] ZINC001203642005 812413823 /nfs/dbraw/zinc/41/38/23/812413823.db2.gz ANAXDHHWDUBFFG-UHFFFAOYSA-N -1 3 297.196 3.280 20 30 CGEDHM Cc1nc(-c2ccc([O-])cc2C(F)(F)F)cnc1C#N ZINC001205079986 812851318 /nfs/dbraw/zinc/85/13/18/812851318.db2.gz ISPFDOBTHQXPIT-UHFFFAOYSA-N -1 3 279.221 3.048 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(OCC3CC3)nc2)c1 ZINC001210015214 814244097 /nfs/dbraw/zinc/24/40/97/814244097.db2.gz UYWPMKZBZZJOJP-UHFFFAOYSA-N -1 3 281.315 3.191 20 30 CGEDHM Cc1nc(C#N)ccc1Nc1cccc(Cl)c1[O-] ZINC001210218374 814346164 /nfs/dbraw/zinc/34/61/64/814346164.db2.gz JGLDQWQAZYITQK-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM Cc1nc(C#N)cnc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242779944 823131112 /nfs/dbraw/zinc/13/11/12/823131112.db2.gz DJSCSKBRBVLGDW-UHFFFAOYSA-N -1 3 279.221 3.048 20 30 CGEDHM N#Cc1cnc(-c2cc([O-])cc(C(F)(F)F)c2)c(F)c1 ZINC001242779921 823131245 /nfs/dbraw/zinc/13/12/45/823131245.db2.gz CACAWRSNKYAQES-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM CCc1[nH]nc2ncc(-c3cc(/C=N/[O-])ccc3F)cc12 ZINC001242825406 823145641 /nfs/dbraw/zinc/14/56/41/823145641.db2.gz GQYRLTWABRZZRR-CNHKJKLMSA-N -1 3 284.294 3.135 20 30 CGEDHM Cc1cc(Nc2cc(C#N)ccc2[O-])cc(O)c1F ZINC001216081787 815685567 /nfs/dbraw/zinc/68/55/67/815685567.db2.gz BEEFLLCQWCEGKJ-UHFFFAOYSA-N -1 3 258.252 3.161 20 30 CGEDHM CCc1cc(Nc2cc([O-])ccc2C(=O)OC)ccc1C#N ZINC001216317410 815779931 /nfs/dbraw/zinc/77/99/31/815779931.db2.gz YWMNYBVPITUXMA-UHFFFAOYSA-N -1 3 296.326 3.356 20 30 CGEDHM COc1cc(-c2ccc(F)c([O-])c2)ccc1CC#N ZINC001243049713 823226685 /nfs/dbraw/zinc/22/66/85/823226685.db2.gz SRSSJDUISQQPHE-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCC(=O)c3ccccc32)[n-]1 ZINC001225469179 817062974 /nfs/dbraw/zinc/06/29/74/817062974.db2.gz HNYBKFDPQBUGSX-MRXNPFEDSA-N -1 3 294.310 3.064 20 30 CGEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665700 817133328 /nfs/dbraw/zinc/13/33/28/817133328.db2.gz DKCMRRBKNAJJKN-YPMHNXCESA-N -1 3 290.319 3.375 20 30 CGEDHM C=C[C@H](C#CC(C)(C)C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226341316 817332282 /nfs/dbraw/zinc/33/22/82/817332282.db2.gz RYHNIALBTAIUQS-LLVKDONJSA-N -1 3 275.304 3.283 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600153 817410090 /nfs/dbraw/zinc/41/00/90/817410090.db2.gz UQZKCHPCTLWTCO-VIFPVBQESA-N -1 3 294.372 3.364 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@H](c2cccnc2)C(F)(F)F)c1 ZINC001227351037 817631016 /nfs/dbraw/zinc/63/10/16/817631016.db2.gz SBDFVCWVYBMTON-CYBMUJFWSA-N -1 3 294.232 3.341 20 30 CGEDHM N#CC1CCC(Oc2cc(=O)cc(C(F)(F)F)[n-]2)CC1 ZINC001227586704 817678021 /nfs/dbraw/zinc/67/80/21/817678021.db2.gz NHZJMTBHBXQPTI-UHFFFAOYSA-N -1 3 286.253 3.267 20 30 CGEDHM N#CC[C@H](Oc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227981076 817771483 /nfs/dbraw/zinc/77/14/83/817771483.db2.gz SELLSXGTVNXTQN-ZDUSSCGKSA-N -1 3 274.707 3.474 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697763 817977710 /nfs/dbraw/zinc/97/77/10/817977710.db2.gz PMWMGRAWWLWDIT-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM C[C@@]1(C#N)CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231526716 818121210 /nfs/dbraw/zinc/12/12/10/818121210.db2.gz SYRFYZIQGGEFKM-ZDUSSCGKSA-N -1 3 284.281 3.147 20 30 CGEDHM N#Cc1ccc([O-])c(CN2CCCC[C@H]2c2cccnc2)c1 ZINC001232679552 818417646 /nfs/dbraw/zinc/41/76/46/818417646.db2.gz NPUSKBWWJRAWAW-KRWDZBQOSA-N -1 3 293.370 3.386 20 30 CGEDHM CCN(Cc1ccc(C#N)cc1[O-])Cc1ccccc1F ZINC001233387089 818607159 /nfs/dbraw/zinc/60/71/59/818607159.db2.gz UKFHTTJYDWSACM-UHFFFAOYSA-N -1 3 284.334 3.425 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001233525300 818633384 /nfs/dbraw/zinc/63/33/84/818633384.db2.gz UGNHMKCEXGPHGL-OZVIIMIRSA-N -1 3 253.301 3.126 20 30 CGEDHM CC[C@@H](C#Cc1ccccc1)Oc1ccc2occ([O-])c2c1 ZINC001233681253 818678412 /nfs/dbraw/zinc/67/84/12/818678412.db2.gz SNBZPWXUJUWTMT-HNNXBMFYSA-N -1 3 292.334 3.471 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1ccc2occ([O-])c2c1 ZINC001233680558 818678584 /nfs/dbraw/zinc/67/85/84/818678584.db2.gz LBTNLAAJFQCTCE-LBPRGKRZSA-N -1 3 270.328 3.245 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)C#C[Si](C)(C)C ZINC001233804263 818708952 /nfs/dbraw/zinc/70/89/52/818708952.db2.gz VXJIKEADRJFHAO-PILJQMSFSA-N -1 3 291.423 3.151 20 30 CGEDHM C[C@H](C#C[Si](C)(C)C)Oc1cccc([O-])c1F ZINC001233870452 818720321 /nfs/dbraw/zinc/72/03/21/818720321.db2.gz DMROKRNCKAEFOI-SNVBAGLBSA-N -1 3 252.361 3.179 20 30 CGEDHM COc1cccc(OC[C@@H](C)Oc2cc([O-])cc(C#N)c2)c1 ZINC001234144962 818790012 /nfs/dbraw/zinc/79/00/12/818790012.db2.gz YKBMZHQKFZOMMZ-GFCCVEGCSA-N -1 3 299.326 3.119 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1cccc([O-])c1C(N)=O ZINC001234153477 818793352 /nfs/dbraw/zinc/79/33/52/818793352.db2.gz NNPWXSZKMAFOTN-NSHDSACASA-N -1 3 263.337 3.005 20 30 CGEDHM N#C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1F ZINC001234453779 818859098 /nfs/dbraw/zinc/85/90/98/818859098.db2.gz ZDHFPPLWJAXQSE-ZDUSSCGKSA-N -1 3 283.262 3.051 20 30 CGEDHM C[C@@H](C#N)N(C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996399 818972969 /nfs/dbraw/zinc/97/29/69/818972969.db2.gz CCRFUNNCHYRBJD-ZDUSSCGKSA-N -1 3 266.344 3.403 20 30 CGEDHM COc1ccc(-c2cccc([O-])c2F)cc1CC#N ZINC001243544955 823437339 /nfs/dbraw/zinc/43/73/39/823437339.db2.gz LLQSJOXMKGYHDH-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM CC(C)(C)n1cc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001243564014 823446749 /nfs/dbraw/zinc/44/67/49/823446749.db2.gz PFTOJVIARGMSMQ-SDXDJHTJSA-N -1 3 269.348 3.430 20 30 CGEDHM COc1ccccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001239540806 820394868 /nfs/dbraw/zinc/39/48/68/820394868.db2.gz NWJIPWAFQLGHNE-ICFOKQHNSA-N -1 3 253.301 3.487 20 30 CGEDHM COCc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001240953813 821440721 /nfs/dbraw/zinc/44/07/21/821440721.db2.gz TYPJIMMJTXCWGJ-RQZCQDPDSA-N -1 3 259.280 3.447 20 30 CGEDHM CCOC(=O)c1ccc(C#N)c(-c2ccccc2[O-])c1 ZINC001241014430 821490224 /nfs/dbraw/zinc/49/02/24/821490224.db2.gz CTODBEZRBVUZMB-UHFFFAOYSA-N -1 3 267.284 3.108 20 30 CGEDHM COc1cc(OC)cc(-c2ccccc2C=N[O-])c1 ZINC001241132407 821587801 /nfs/dbraw/zinc/58/78/01/821587801.db2.gz YETUVCIXEDSNKX-UHFFFAOYSA-N -1 3 257.289 3.179 20 30 CGEDHM N#Cc1cc(-c2ccc3c(c2)NCCC3)ccc1[O-] ZINC001242565093 823035548 /nfs/dbraw/zinc/03/55/48/823035548.db2.gz LJDVOJBHYNWGKZ-UHFFFAOYSA-N -1 3 250.301 3.289 20 30 CGEDHM N#Cc1cc(-c2ccc3c(c2)C2(CC3)OCCO2)ccc1[O-] ZINC001242566424 823036782 /nfs/dbraw/zinc/03/67/82/823036782.db2.gz YUBMMGQZVMVHIB-UHFFFAOYSA-N -1 3 293.322 3.077 20 30 CGEDHM N#CC(=C([O-])c1cnc2ccsc2c1)c1cccc(F)n1 ZINC001342559388 936469687 /nfs/dbraw/zinc/46/96/87/936469687.db2.gz UNNHEZSTCNFRDU-SNVBAGLBSA-N -1 3 297.314 3.320 20 30 CGEDHM C=CCO[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC001449654005 937381142 /nfs/dbraw/zinc/38/11/42/937381142.db2.gz HGVNEZLPPNXNKU-UHFFFAOYSA-N -1 3 296.779 3.116 20 30 CGEDHM C#C[C@@H](CCCC)Oc1cc(O)cc([O-])c1Br ZINC001229096265 932093918 /nfs/dbraw/zinc/09/39/18/932093918.db2.gz AOMWPAZALPTCHZ-JTQLQIEISA-N -1 3 299.164 3.431 20 30 CGEDHM C=CC[C@@H](C=C)Oc1cc(O)cc([O-])c1Br ZINC001229096931 932093976 /nfs/dbraw/zinc/09/39/76/932093976.db2.gz NCCWRXUQDOOUNG-SECBINFHSA-N -1 3 285.137 3.370 20 30 CGEDHM C#CCN(Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001462215981 937626054 /nfs/dbraw/zinc/62/60/54/937626054.db2.gz NQCXGMUNXYGCEB-UHFFFAOYSA-N -1 3 287.309 3.306 20 30 CGEDHM CCCCN([O-])C(=O)CSc1ccc(C)cc1 ZINC001306897531 932763174 /nfs/dbraw/zinc/76/31/74/932763174.db2.gz QPHHXQQYMWRBAT-UHFFFAOYSA-N -1 3 253.367 3.105 20 30 CGEDHM CC[C@@H](C)[C@H](OC)C(=O)N([O-])CCCCc1ccccc1 ZINC001306895923 932891103 /nfs/dbraw/zinc/89/11/03/932891103.db2.gz BEMWLRWDUBTZHM-ZBFHGGJFSA-N -1 3 293.407 3.288 20 30 CGEDHM CCCCN([O-])C(=O)CCc1ccc(OCCC)cc1 ZINC001306897193 932892497 /nfs/dbraw/zinc/89/24/97/932892497.db2.gz COHBVBMUTNKGGT-UHFFFAOYSA-N -1 3 279.380 3.426 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](c1ccccc1)N(C)C ZINC001472621195 937778426 /nfs/dbraw/zinc/77/84/26/937778426.db2.gz KOLMMJXRKBAICM-OAHLLOKOSA-N -1 3 278.396 3.087 20 30 CGEDHM C[C@]1(C#N)CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001474388517 937856739 /nfs/dbraw/zinc/85/67/39/937856739.db2.gz MGKPDDIVAHTXDH-CQSZACIVSA-N -1 3 264.756 3.171 20 30 CGEDHM N#CC[C@@H](CC(=O)[N-]Oc1ccc(F)cc1)c1ccccc1 ZINC001557412683 938209830 /nfs/dbraw/zinc/20/98/30/938209830.db2.gz DGXDXUVLTNXJRA-AWEZNQCLSA-N -1 3 298.317 3.323 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ncc(Cl)s1 ZINC001559034881 938218967 /nfs/dbraw/zinc/21/89/67/938218967.db2.gz SYYGWZFNIKPOMO-UHFFFAOYSA-N -1 3 262.762 3.208 20 30 CGEDHM O=C(C1SCCS1)N([O-])CCCCc1ccccc1 ZINC001559034230 938218987 /nfs/dbraw/zinc/21/89/87/938218987.db2.gz RILFMDBHIXUIMH-UHFFFAOYSA-N -1 3 297.445 3.033 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC001559035236 938219197 /nfs/dbraw/zinc/21/91/97/938219197.db2.gz IMJHNVYHRLGMRY-CYBMUJFWSA-N -1 3 274.364 3.295 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C ZINC001559035066 938219349 /nfs/dbraw/zinc/21/93/49/938219349.db2.gz AOKHRAYBZYPFEF-WBMJQRKESA-N -1 3 299.411 3.152 20 30 CGEDHM CCCC#CC(=O)Nc1cc2ccccc2cc1[O-] ZINC001184270633 957886616 /nfs/dbraw/zinc/88/66/16/957886616.db2.gz WMWVWGHEMQRGDX-UHFFFAOYSA-N -1 3 253.301 3.287 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)n[n-]2)o1 ZINC000839049418 958826506 /nfs/dbraw/zinc/82/65/06/958826506.db2.gz RIDCLPMUDHSWSO-VXGBXAGGSA-N -1 3 299.330 3.217 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)[n-]n2)o1 ZINC000839049418 958826523 /nfs/dbraw/zinc/82/65/23/958826523.db2.gz RIDCLPMUDHSWSO-VXGBXAGGSA-N -1 3 299.330 3.217 20 30 CGEDHM C=CC[C@H]1CCCC[C@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC001573329003 962243255 /nfs/dbraw/zinc/24/32/55/962243255.db2.gz GFFNQWHSKGQGEX-QWHCGFSZSA-N -1 3 298.394 3.117 20 30 CGEDHM C=CC[C@H]1CCCC[C@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC001573329003 962243265 /nfs/dbraw/zinc/24/32/65/962243265.db2.gz GFFNQWHSKGQGEX-QWHCGFSZSA-N -1 3 298.394 3.117 20 30 CGEDHM C=C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000304195139 963123687 /nfs/dbraw/zinc/12/36/87/963123687.db2.gz ASMZYWBTHYEWKG-RDDDGLTNSA-N -1 3 274.147 3.283 20 30 CGEDHM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(Cl)cc1C#N ZINC001588655610 963299603 /nfs/dbraw/zinc/29/96/03/963299603.db2.gz FUSNOBQRYLHLPR-UHFFFAOYSA-N -1 3 294.782 3.144 20 30 CGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000405017566 346601978 /nfs/dbraw/zinc/60/19/78/346601978.db2.gz GEKJJIBETQNKRS-GFCCVEGCSA-N -1 3 285.384 3.157 20 30 CGEDHM C=CC[C@H]1N(C(=O)c2cccc3[n-]nnc32)CCCC1(C)C ZINC000584759198 346712359 /nfs/dbraw/zinc/71/23/59/346712359.db2.gz BTQKMQLKTRBRIX-CQSZACIVSA-N -1 3 298.390 3.165 20 30 CGEDHM C=CC[C@H]1N(C(=O)c2cccc3nn[n-]c32)CCCC1(C)C ZINC000584759198 346712362 /nfs/dbraw/zinc/71/23/62/346712362.db2.gz BTQKMQLKTRBRIX-CQSZACIVSA-N -1 3 298.390 3.165 20 30 CGEDHM C=CC[C@H]1N(C(=O)c2cccc3n[n-]nc32)CCCC1(C)C ZINC000584759198 346712365 /nfs/dbraw/zinc/71/23/65/346712365.db2.gz BTQKMQLKTRBRIX-CQSZACIVSA-N -1 3 298.390 3.165 20 30 CGEDHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@H]1CCC[C@@H]1C#N ZINC000601818221 347917343 /nfs/dbraw/zinc/91/73/43/347917343.db2.gz KNSSCKRKDRBGOH-CJNGLKHVSA-N -1 3 298.386 3.035 20 30 CGEDHM CN(Cc1cc([O-])ccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000602982212 348051329 /nfs/dbraw/zinc/05/13/29/348051329.db2.gz PBZQLCUWOWZOAP-IINYFYTJSA-N -1 3 264.756 3.170 20 30 CGEDHM Cc1sc([N-]C(=O)c2coc(C3CC3)n2)c(C#N)c1C ZINC000614392728 348672475 /nfs/dbraw/zinc/67/24/75/348672475.db2.gz UKPVNSBHJHTDTL-UHFFFAOYSA-N -1 3 287.344 3.354 20 30 CGEDHM C=C[C@](C)(CC)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022073 348782629 /nfs/dbraw/zinc/78/26/29/348782629.db2.gz BBJZDTSGHLJIIS-QGZVFWFLSA-N -1 3 284.359 3.159 20 30 CGEDHM CC#CCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000616940913 348885103 /nfs/dbraw/zinc/88/51/03/348885103.db2.gz KHMJZIBIUZSAIO-UHFFFAOYSA-N -1 3 251.713 3.178 20 30 CGEDHM N#Cc1nc(Sc2cccc([O-])c2)ccc1Cl ZINC000302138776 201360239 /nfs/dbraw/zinc/36/02/39/201360239.db2.gz NUNPFUHKJHIEQB-UHFFFAOYSA-N -1 3 262.721 3.463 20 30 CGEDHM N#CC(=C([O-])c1ccc2ccccc2n1)c1ccccn1 ZINC000046439252 369294216 /nfs/dbraw/zinc/29/42/16/369294216.db2.gz FBPUXNMHWIZGTA-ZDUSSCGKSA-N -1 3 273.295 3.120 20 30 CGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000424763163 372099335 /nfs/dbraw/zinc/09/93/35/372099335.db2.gz ZQYGQDIHAGLZPR-UHFFFAOYSA-N -1 3 291.347 3.110 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(Cl)cc1OC ZINC000293372604 372368055 /nfs/dbraw/zinc/36/80/55/372368055.db2.gz KTKVFLOMJZAHJJ-UHFFFAOYSA-N -1 3 289.709 3.176 20 30 CGEDHM C=CCN(CC=C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436757552 372841511 /nfs/dbraw/zinc/84/15/11/372841511.db2.gz IOVKRELLSAIXLG-UHFFFAOYSA-N -1 3 271.360 3.085 20 30 CGEDHM CCC(CC)CN(CCC#N)C(=O)c1ccccc1[O-] ZINC000179547906 373886198 /nfs/dbraw/zinc/88/61/98/373886198.db2.gz VZQPRCXYOJYRKN-UHFFFAOYSA-N -1 3 274.364 3.184 20 30 CGEDHM Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000334526302 374822289 /nfs/dbraw/zinc/82/22/89/374822289.db2.gz CXGACXSFMKMTIX-GFCCVEGCSA-N -1 3 280.327 3.315 20 30 CGEDHM C=C(C)CO[N-]C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000493047351 375460387 /nfs/dbraw/zinc/46/03/87/375460387.db2.gz LHDIGWJEUIDYCP-SREVYHEPSA-N -1 3 280.393 3.078 20 30 CGEDHM CC(C)c1cc(C(=O)[N-]c2ccc(F)cc2C#N)on1 ZINC000335814698 375453437 /nfs/dbraw/zinc/45/34/37/375453437.db2.gz XVZYXYVSNDJQQR-UHFFFAOYSA-N -1 3 273.267 3.061 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)c1cc(C#N)ccc1Cl ZINC000335942145 375557286 /nfs/dbraw/zinc/55/72/86/375557286.db2.gz AYVVSINJNDKNIN-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2cccc(C#N)c2C)c1 ZINC000338194116 376279136 /nfs/dbraw/zinc/27/91/36/376279136.db2.gz XGKRVSXEPYKDQH-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM C=CCn1c(=O)[n-]nc1S[C@@H]1C=CCCCCC1 ZINC000339114120 376686398 /nfs/dbraw/zinc/68/63/98/376686398.db2.gz LNOUAVVAXDXYKJ-LLVKDONJSA-N -1 3 265.382 3.151 20 30 CGEDHM N#CC(=C([O-])c1cccc(C2CCC2)c1)c1ccncn1 ZINC000545265695 376804888 /nfs/dbraw/zinc/80/48/88/376804888.db2.gz DRYFPZRWLRJESO-HNNXBMFYSA-N -1 3 277.327 3.234 20 30 CGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000545353464 376817149 /nfs/dbraw/zinc/81/71/49/376817149.db2.gz LHYDISFVQICCFU-SECBINFHSA-N -1 3 293.841 3.343 20 30 CGEDHM CC(C)(CCC#N)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000340887229 377306355 /nfs/dbraw/zinc/30/63/55/377306355.db2.gz DKIZIGGUULYIOG-UHFFFAOYSA-N -1 3 277.315 3.326 20 30 CGEDHM Cc1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)ccc1[O-] ZINC000573752566 377570396 /nfs/dbraw/zinc/57/03/96/377570396.db2.gz JRUMTMTWSYRFGR-KRWDZBQOSA-N -1 3 286.375 3.293 20 30 CGEDHM C=CCCC[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000343536203 378010803 /nfs/dbraw/zinc/01/08/03/378010803.db2.gz ZHABLOOKFLEBTH-GFCCVEGCSA-N -1 3 284.359 3.003 20 30 CGEDHM C=C(C)COc1cccc(NC([O-])=NOCCSC)c1 ZINC000281278096 379828341 /nfs/dbraw/zinc/82/83/41/379828341.db2.gz GJUOTQXSYIEPGL-UHFFFAOYSA-N -1 3 296.392 3.058 20 30 CGEDHM C=C(C)COc1cccc(NC(=O)[N-]OCCSC)c1 ZINC000281278096 379828345 /nfs/dbraw/zinc/82/83/45/379828345.db2.gz GJUOTQXSYIEPGL-UHFFFAOYSA-N -1 3 296.392 3.058 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(C(F)(F)F)c1 ZINC000417631218 393351146 /nfs/dbraw/zinc/35/11/46/393351146.db2.gz VRHSAUUEEMYHKJ-GFCCVEGCSA-N -1 3 287.281 3.214 20 30 CGEDHM C=C[C@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427161105 393454438 /nfs/dbraw/zinc/45/44/38/393454438.db2.gz DYHORBGRLFWSEL-ZETCQYMHSA-N -1 3 281.768 3.096 20 30 CGEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(C#N)cc2)n1 ZINC000488801300 393557227 /nfs/dbraw/zinc/55/72/27/393557227.db2.gz PHYARQUSQLDMKX-JTQLQIEISA-N -1 3 271.345 3.216 20 30 CGEDHM Cc1ocnc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000091208754 165260847 /nfs/dbraw/zinc/26/08/47/165260847.db2.gz ARRNWLRAIRDATF-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM Cc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1[O-] ZINC000354597092 227045451 /nfs/dbraw/zinc/04/54/51/227045451.db2.gz NEGOZYYNXXBQPE-INIZCTEOSA-N -1 3 294.354 3.476 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1cc(SC)ccc1[O-] ZINC000666259741 419204249 /nfs/dbraw/zinc/20/42/49/419204249.db2.gz PJXVEENNSYEUJJ-UHFFFAOYSA-N -1 3 265.378 3.152 20 30 CGEDHM CCCOc1ccc(/C=N/[C@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000280965787 263065362 /nfs/dbraw/zinc/06/53/62/263065362.db2.gz ITADALPMXWKQJZ-STYDFJLESA-N -1 3 277.364 3.025 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/CCC1(O)CCC1 ZINC000284041595 263085612 /nfs/dbraw/zinc/08/56/12/263085612.db2.gz RSESERQOFLUEOV-LDADJPATSA-N -1 3 269.344 3.269 20 30 CGEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000357590540 266332882 /nfs/dbraw/zinc/33/28/82/266332882.db2.gz FBJXQWLIHQIKCG-UHFFFAOYSA-N -1 3 297.354 3.229 20 30 CGEDHM Cc1ccc([O-])c(CN[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000418142595 280920172 /nfs/dbraw/zinc/92/01/72/280920172.db2.gz HHJRTUQRYUDKDW-INIZCTEOSA-N -1 3 293.370 3.135 20 30 CGEDHM C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000186286911 327686599 /nfs/dbraw/zinc/68/65/99/327686599.db2.gz ZPEQKFOKCPZWNN-GFCCVEGCSA-N -1 3 292.338 3.418 20 30 CGEDHM CN(CCC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000153190177 326926792 /nfs/dbraw/zinc/92/67/92/326926792.db2.gz CFZZVFSRDCQVFR-UHFFFAOYSA-N -1 3 296.326 3.170 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)sc1C ZINC000041493835 329564250 /nfs/dbraw/zinc/56/42/50/329564250.db2.gz HYBZJXPFANGCQH-LLVKDONJSA-N -1 3 256.330 3.250 20 30 CGEDHM CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000422119044 330125636 /nfs/dbraw/zinc/12/56/36/330125636.db2.gz JDPOQVMUBMVRNA-CYBMUJFWSA-N -1 3 279.343 3.264 20 30 CGEDHM N#CC(=C([O-])c1csc(Cl)c1)c1ccccn1 ZINC000191374104 330138404 /nfs/dbraw/zinc/13/84/04/330138404.db2.gz CDGCKWPSRBVPAG-SECBINFHSA-N -1 3 262.721 3.287 20 30 CGEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1ccccc1[O-] ZINC000162900359 330811784 /nfs/dbraw/zinc/81/17/84/330811784.db2.gz OTEZGTYVXPPGCS-UHFFFAOYSA-N -1 3 299.326 3.218 20 30 CGEDHM CN(Cc1cccc([O-])c1Br)CC(C)(C)C#N ZINC000459589701 331289632 /nfs/dbraw/zinc/28/96/32/331289632.db2.gz MJYARGBQQHMWGK-UHFFFAOYSA-N -1 3 297.196 3.136 20 30 CGEDHM C=CCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000154134301 334689010 /nfs/dbraw/zinc/68/90/10/334689010.db2.gz DFLRUROLNUKPBX-UHFFFAOYSA-N -1 3 283.327 3.443 20 30 CGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000546061966 334015014 /nfs/dbraw/zinc/01/50/14/334015014.db2.gz XAIINOZYUUSZLL-LLVKDONJSA-N -1 3 291.775 3.112 20 30 CGEDHM Cc1ccc([O-])c(CN(C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425364724 534192793 /nfs/dbraw/zinc/19/27/93/534192793.db2.gz HHFWYVMTDAHZRJ-ZDUSSCGKSA-N -1 3 281.359 3.160 20 30 CGEDHM Cc1ccc([O-])c(C=NNc2cccc3cnccc32)n1 ZINC000728780833 571820803 /nfs/dbraw/zinc/82/08/03/571820803.db2.gz AVDUGGYTOPUPIS-UHFFFAOYSA-N -1 3 278.315 3.090 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@@H](C(C)C)C2)c1[O-] ZINC000728785546 571822045 /nfs/dbraw/zinc/82/20/45/571822045.db2.gz KLXIIXIEIFETQJ-MDUBYEFESA-N -1 3 290.407 3.222 20 30 CGEDHM Cc1ccc(N=NCc2c([O-])ccc3ccccc32)nn1 ZINC000729935556 571936998 /nfs/dbraw/zinc/93/69/98/571936998.db2.gz DQQVAKGDGZIVKJ-UHFFFAOYSA-N -1 3 278.315 3.090 20 30 CGEDHM CC(N=Nc1nncc2ccccc21)c1ccc([O-])cc1F ZINC000729932054 571937208 /nfs/dbraw/zinc/93/72/08/571937208.db2.gz AQDYSEUURNQXPA-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM CC(=NNc1ccc(C)cn1)c1ccc([O-])cc1F ZINC000729932764 571937390 /nfs/dbraw/zinc/93/73/90/571937390.db2.gz LBWWORSNZGHZJJ-UHFFFAOYSA-N -1 3 259.284 3.071 20 30 CGEDHM Cc1ccc(F)c2c1C(=NN[C@@H](C)c1ccccc1)C(=O)[N-]2 ZINC000732712631 572478949 /nfs/dbraw/zinc/47/89/49/572478949.db2.gz MTNNLKVSUUQIFK-NSHDSACASA-N -1 3 297.333 3.141 20 30 CGEDHM C=CC[C@@H](NC(=O)c1cccc(C)c1[O-])c1ccncc1 ZINC000734554605 572665586 /nfs/dbraw/zinc/66/55/86/572665586.db2.gz DGJPHAPQLHMJBE-OAHLLOKOSA-N -1 3 282.343 3.143 20 30 CGEDHM CC[C@@](NCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000736918560 572825280 /nfs/dbraw/zinc/82/52/80/572825280.db2.gz UJGCLHLMEZQCKA-SFHVURJKSA-N -1 3 294.354 3.038 20 30 CGEDHM Cn1ccc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000748285506 572972151 /nfs/dbraw/zinc/97/21/51/572972151.db2.gz KCOMLRLEMLCQNG-OVCLIPMQSA-N -1 3 293.164 3.112 20 30 CGEDHM COc1cccc([O-])c1/C=N/CC1CCC(OC)CC1 ZINC000749931977 573062052 /nfs/dbraw/zinc/06/20/52/573062052.db2.gz YJZJTLYOIZCWRK-GZTJUZNOSA-N -1 3 277.364 3.025 20 30 CGEDHM C=CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000819713260 598203710 /nfs/dbraw/zinc/20/37/10/598203710.db2.gz FOEDHXBEHAVPQY-MRXNPFEDSA-N -1 3 282.343 3.187 20 30 CGEDHM Cc1cc(Br)c([O-])c(CN(C)[C@@H](C)CC#N)c1 ZINC000781908305 628603879 /nfs/dbraw/zinc/60/38/79/628603879.db2.gz JHXPSIMXISGODW-JTQLQIEISA-N -1 3 297.196 3.197 20 30 CGEDHM COc1cc(C(=O)/C=C/c2cnn(C3CCC3)c2)ccc1[O-] ZINC000899341124 620643609 /nfs/dbraw/zinc/64/36/09/620643609.db2.gz UCPBABSXXUNITG-FNORWQNLSA-N -1 3 298.342 3.218 20 30 CGEDHM CCc1onc(C)c1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000899352585 620648991 /nfs/dbraw/zinc/64/89/91/620648991.db2.gz AEBXCXGKPIXBOR-VURMDHGXSA-N -1 3 271.316 3.456 20 30 CGEDHM O=C(/C=C\c1ccc([O-])cc1F)c1ccnn1C1CCC1 ZINC000899397482 620689685 /nfs/dbraw/zinc/68/96/85/620689685.db2.gz QOEPGYFPVFXGOH-ALCCZGGFSA-N -1 3 286.306 3.349 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822284762 606304177 /nfs/dbraw/zinc/30/41/77/606304177.db2.gz ZBTOBESGMZFUQC-WAYWQWQTSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822284762 606304178 /nfs/dbraw/zinc/30/41/78/606304178.db2.gz ZBTOBESGMZFUQC-WAYWQWQTSA-N -1 3 296.355 3.133 20 30 CGEDHM CC1(C)CCCC(=Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820590633 606860182 /nfs/dbraw/zinc/86/01/82/606860182.db2.gz XKWGVTZBDPPEMZ-RAXLEYEMSA-N -1 3 282.347 3.029 20 30 CGEDHM CC1(C)CCCC(=Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820590633 606860183 /nfs/dbraw/zinc/86/01/83/606860183.db2.gz XKWGVTZBDPPEMZ-RAXLEYEMSA-N -1 3 282.347 3.029 20 30 CGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCC1 ZINC000823958070 609469948 /nfs/dbraw/zinc/46/99/48/609469948.db2.gz APWJKSUSYPVWRD-UHFFFAOYSA-N -1 3 290.758 3.108 20 30 CGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCC1 ZINC000823958070 609469946 /nfs/dbraw/zinc/46/99/46/609469946.db2.gz APWJKSUSYPVWRD-UHFFFAOYSA-N -1 3 290.758 3.108 20 30 CGEDHM CCCC(CC)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825234349 609473180 /nfs/dbraw/zinc/47/31/80/609473180.db2.gz YVRPWMABLQNRFP-UHFFFAOYSA-N -1 3 292.774 3.498 20 30 CGEDHM CCCC(CC)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825234349 609473184 /nfs/dbraw/zinc/47/31/84/609473184.db2.gz YVRPWMABLQNRFP-UHFFFAOYSA-N -1 3 292.774 3.498 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cl)cc2F)c1O ZINC000254972762 617708011 /nfs/dbraw/zinc/70/80/11/617708011.db2.gz NRBORODOJSLLHR-UHFFFAOYSA-N -1 3 281.670 3.347 20 30 CGEDHM CCc1nc2cc(N=Cc3ccc(O)c([O-])c3O)ccc2o1 ZINC000255190957 618050116 /nfs/dbraw/zinc/05/01/16/618050116.db2.gz JZOBIGOVJMPQQF-UHFFFAOYSA-N -1 3 298.298 3.258 20 30 CGEDHM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1C ZINC000162418316 619083051 /nfs/dbraw/zinc/08/30/51/619083051.db2.gz SLUMZHQFIFECAW-ZDUSSCGKSA-N -1 3 296.326 3.112 20 30 CGEDHM O=C1c2ccc([O-])cc2CC/C1=C\c1cccc2nccn21 ZINC000178944993 619706570 /nfs/dbraw/zinc/70/65/70/619706570.db2.gz ZFVLVPNISAYIEK-JLHYYAGUSA-N -1 3 290.322 3.252 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)c1ccccc1 ZINC000049214172 619711597 /nfs/dbraw/zinc/71/15/97/619711597.db2.gz ROKCGGMFPWXPIE-ZUZCKIMGSA-N -1 3 275.735 3.198 20 30 CGEDHM C[C@H]1CCCC[C@@H]1OCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372187 620866286 /nfs/dbraw/zinc/86/62/86/620866286.db2.gz UELSTWJGFCBLID-WFASDCNBSA-N -1 3 295.354 3.139 20 30 CGEDHM CCOCCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCC1 ZINC000901372786 620867530 /nfs/dbraw/zinc/86/75/30/620867530.db2.gz MKCWSLKAAZLRPF-UHFFFAOYSA-N -1 3 295.354 3.140 20 30 CGEDHM COCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901375653 620868172 /nfs/dbraw/zinc/86/81/72/620868172.db2.gz IPIZFCMHPGDYMX-UHFFFAOYSA-N -1 3 289.306 3.004 20 30 CGEDHM C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)C(F)(F)F ZINC000901376180 620868738 /nfs/dbraw/zinc/86/87/38/620868738.db2.gz QKGOQACGWWTRCC-MRVPVSSYSA-N -1 3 279.233 3.132 20 30 CGEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000901378046 620869264 /nfs/dbraw/zinc/86/92/64/620869264.db2.gz AZJDPODOYVEQLR-UHFFFAOYSA-N -1 3 265.309 3.227 20 30 CGEDHM C[C@@H](NCc1nc2c(s1)CCC2)c1cccc(C#N)c1[O-] ZINC000903190939 621628060 /nfs/dbraw/zinc/62/80/60/621628060.db2.gz ISGZYORAVHEVGW-SNVBAGLBSA-N -1 3 299.399 3.060 20 30 CGEDHM CC[C@H](NCc1nc(C#N)cs1)c1ccc(F)cc1[O-] ZINC000903263416 621648543 /nfs/dbraw/zinc/64/85/43/621648543.db2.gz NAYZPDIHHRIWDE-LBPRGKRZSA-N -1 3 291.351 3.100 20 30 CGEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccncc1 ZINC000904175486 621885085 /nfs/dbraw/zinc/88/50/85/621885085.db2.gz SEPBRXURDFOXBQ-LBPRGKRZSA-N -1 3 288.322 3.132 20 30 CGEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2ccccc2Cl)CCC1=O ZINC000904190603 621886901 /nfs/dbraw/zinc/88/69/01/621886901.db2.gz NSCJKJWXFHDOCC-GHMZBOCLSA-N -1 3 295.766 3.063 20 30 CGEDHM C[C@@H]1CC[C@@H](CCC(=O)N([O-])Cc2ccccc2Cl)O1 ZINC000904188788 621886992 /nfs/dbraw/zinc/88/69/92/621886992.db2.gz NWCOUPNFEMLCAP-YPMHNXCESA-N -1 3 297.782 3.406 20 30 CGEDHM COCCC1(C(=O)N([O-])Cc2ccccc2Cl)CCC1 ZINC000904191386 621887364 /nfs/dbraw/zinc/88/73/64/621887364.db2.gz WKAKCWZKJKUNNV-UHFFFAOYSA-N -1 3 297.782 3.265 20 30 CGEDHM O=C([C@H]1C[C@H]2C[C@H]2C1)N([O-])Cc1ccccc1Cl ZINC000904192306 621887377 /nfs/dbraw/zinc/88/73/77/621887377.db2.gz IBACKVCXLOHLEA-GDNZZTSVSA-N -1 3 265.740 3.104 20 30 CGEDHM O=C(C[C@@H]1CCCOC1)N([O-])CCCCc1ccccc1 ZINC000904197768 621888544 /nfs/dbraw/zinc/88/85/44/621888544.db2.gz ORIHTTJQYRYKFE-INIZCTEOSA-N -1 3 291.391 3.044 20 30 CGEDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cscc1C#N ZINC000906275334 622205944 /nfs/dbraw/zinc/20/59/44/622205944.db2.gz VYBIBKQBQKECQP-UHFFFAOYSA-N -1 3 275.333 3.292 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCCOCC1CC1 ZINC000061242253 623118467 /nfs/dbraw/zinc/11/84/67/623118467.db2.gz VSERFCIDTNZSPM-CXUHLZMHSA-N -1 3 267.756 3.281 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CCCC2CCCCC2)c1[O-] ZINC000915113608 623897901 /nfs/dbraw/zinc/89/79/01/623897901.db2.gz ZVDYWVTYGDNVOA-WQRHYEAKSA-N -1 3 290.407 3.367 20 30 CGEDHM C=CCCC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000921814641 625887600 /nfs/dbraw/zinc/88/76/00/625887600.db2.gz ANJNIFDFCOUYJT-LLVKDONJSA-N -1 3 280.343 3.075 20 30 CGEDHM CC(=NOCc1ccccc1)c1cc(F)ccc1[O-] ZINC000839419294 626346937 /nfs/dbraw/zinc/34/69/37/626346937.db2.gz BHNQXCUGEDVUAN-UHFFFAOYSA-N -1 3 259.280 3.472 20 30 CGEDHM [O-]c1cccc(Cl)c1C=Nn1cnc2ccccc21 ZINC000755613989 626631780 /nfs/dbraw/zinc/63/17/80/626631780.db2.gz VDNJYMURBSDXFR-UHFFFAOYSA-N -1 3 271.707 3.278 20 30 CGEDHM C[C@@H]1CC(=NO[C@@H]2CCCCO2)c2c1c(F)ccc2[O-] ZINC000755818261 626650085 /nfs/dbraw/zinc/65/00/85/626650085.db2.gz BOOBZTYZFXHPQA-NOZJJQNGSA-N -1 3 279.311 3.286 20 30 CGEDHM CCC(CC)CNN=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000774469073 627994024 /nfs/dbraw/zinc/99/40/24/627994024.db2.gz BQXBVPXPYWTDBD-UHFFFAOYSA-N -1 3 284.787 3.414 20 30 CGEDHM CCC(CC)CNN=C(C)c1ccc([O-])c(F)c1 ZINC000774473737 627995515 /nfs/dbraw/zinc/99/55/15/627995515.db2.gz WLLHGFKTZGEWEY-UHFFFAOYSA-N -1 3 252.333 3.281 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OC/C=C/c2ccccc2)c1 ZINC000776273608 628188014 /nfs/dbraw/zinc/18/80/14/628188014.db2.gz JNFCRPIDXJCQOV-QPJJXVBHSA-N -1 3 279.295 3.134 20 30 CGEDHM CCC(N=Nc1cccc(OC)n1)c1ccc([O-])c(F)c1 ZINC000779818760 628435641 /nfs/dbraw/zinc/43/56/41/628435641.db2.gz BSBQQYAOKCCCCE-UHFFFAOYSA-N -1 3 289.310 3.161 20 30 CGEDHM CCN(CCC#N)Cc1cc(C)cc(Br)c1[O-] ZINC000781895582 628602960 /nfs/dbraw/zinc/60/29/60/628602960.db2.gz CFKBPKPKPJZKHZ-UHFFFAOYSA-N -1 3 297.196 3.199 20 30 CGEDHM C[C@H](OC(=O)c1ccc([O-])cc1)c1cccc(C#N)c1 ZINC000782007032 628609777 /nfs/dbraw/zinc/60/97/77/628609777.db2.gz ROXQKTCLDKPMIH-NSHDSACASA-N -1 3 267.284 3.182 20 30 CGEDHM CC(C)(C#N)CCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787832856 629031969 /nfs/dbraw/zinc/03/19/69/629031969.db2.gz YQUSDHQYEMFWCX-UHFFFAOYSA-N -1 3 293.338 3.337 20 30 CGEDHM CC(=NN=c1cc[n-]n1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788440831 629052659 /nfs/dbraw/zinc/05/26/59/629052659.db2.gz KNVDHVFXRIUCEV-VHSXEESVSA-N -1 3 294.811 3.148 20 30 CGEDHM C[C@@H]1COCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125583 629480784 /nfs/dbraw/zinc/48/07/84/629480784.db2.gz ZWTOTSNHMZNYHJ-SECBINFHSA-N -1 3 288.376 3.117 20 30 CGEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cc2sccc2c([O-])c1 ZINC000794160900 629518648 /nfs/dbraw/zinc/51/86/48/629518648.db2.gz LMPQLLBALLDWHW-HNNXBMFYSA-N -1 3 286.356 3.029 20 30 CGEDHM [O-]c1ccc(F)c(C=NNc2cc(F)cc(F)c2)c1F ZINC000794496686 629547295 /nfs/dbraw/zinc/54/72/95/629547295.db2.gz ZPSWRTJHHDKIGN-UHFFFAOYSA-N -1 3 284.212 3.395 20 30 CGEDHM Cc1cncc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1 ZINC000794944778 629604048 /nfs/dbraw/zinc/60/40/48/629604048.db2.gz ICAGURYMUYSFEF-DUXPYHPUSA-N -1 3 275.254 3.270 20 30 CGEDHM CCO[C@@]1(C)C[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000864346435 629814883 /nfs/dbraw/zinc/81/48/83/629814883.db2.gz WNOMEBIVJJXTTH-DVTVXSLWSA-N -1 3 253.729 3.032 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCCn2nccc21 ZINC000864348136 629816223 /nfs/dbraw/zinc/81/62/23/629816223.db2.gz FPUHOYCXLUSRBT-GFQQVXNGSA-N -1 3 275.739 3.196 20 30 CGEDHM CCc1cccc(C)c1NN=C1c2ccc([O-])cc2NC1=O ZINC000799494104 630190943 /nfs/dbraw/zinc/19/09/43/630190943.db2.gz BMIBMIZWMVBFPX-UHFFFAOYSA-N -1 3 295.342 3.031 20 30 CGEDHM COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1C#N ZINC000799497255 630191334 /nfs/dbraw/zinc/19/13/34/630191334.db2.gz LWZGWIWTOGDIDF-QPJJXVBHSA-N -1 3 293.322 3.477 20 30 CGEDHM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1[O-] ZINC000804456202 630528870 /nfs/dbraw/zinc/52/88/70/630528870.db2.gz UUTQOOSUXAOUTK-MRXNPFEDSA-N -1 3 293.366 3.065 20 30 CGEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1[O-] ZINC000804456201 630528943 /nfs/dbraw/zinc/52/89/43/630528943.db2.gz UUTQOOSUXAOUTK-INIZCTEOSA-N -1 3 293.366 3.065 20 30 CGEDHM C#C[C@@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000811861484 631127915 /nfs/dbraw/zinc/12/79/15/631127915.db2.gz GRJBUCYDOXYBAA-SNVBAGLBSA-N -1 3 293.735 3.491 20 30 CGEDHM 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CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245758893 640637382 /nfs/dbraw/zinc/63/73/82/640637382.db2.gz GFHXNXQQQQFIPA-XLDKMSEKSA-N -1 3 279.767 3.422 20 30 CGEDHM CC1(C)C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001161807556 806459424 /nfs/dbraw/zinc/45/94/24/806459424.db2.gz KENDUDLCYKAPKX-SNVBAGLBSA-N -1 3 253.729 3.104 20 30 CGEDHM C#CCN(Cc1csc(C(=O)[O-])c1)C1CCCCC1 ZINC000688887486 799758016 /nfs/dbraw/zinc/75/80/16/799758016.db2.gz OOLZFVOPNMQCTO-UHFFFAOYSA-N -1 3 277.389 3.214 20 30 CGEDHM C#C[C@@H]([N-]c1nc([C@H](C)OC)ns1)c1ccccc1 ZINC001118186392 802535149 /nfs/dbraw/zinc/53/51/49/802535149.db2.gz FFZPIKSUIPJHSR-CMPLNLGQSA-N -1 3 273.361 3.032 20 30 CGEDHM CCc1cc(-c2ccc(/C=N/[O-])c(F)c2)ccc1CO ZINC001244646219 803478301 /nfs/dbraw/zinc/47/83/01/803478301.db2.gz CNYOESYQYXETEM-GIJQJNRQSA-N -1 3 273.307 3.356 20 30 CGEDHM COc1c(O)cccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001244990844 803606526 /nfs/dbraw/zinc/60/65/26/803606526.db2.gz NBUOMFRRZWHHED-VKAVYKQESA-N -1 3 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N#Cc1cc(F)c(C(=O)[N-]c2ccc(F)cc2F)c(F)c1 ZINC000133123122 287417429 /nfs/dbraw/zinc/41/74/29/287417429.db2.gz CBKKVJRRLMZDLG-UHFFFAOYSA-N -1 3 294.207 3.367 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000657036798 419226496 /nfs/dbraw/zinc/22/64/96/419226496.db2.gz NTGDYQPVCAXTFK-OLZOCXBDSA-N -1 3 283.393 3.001 20 30 CGEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000657036800 419226565 /nfs/dbraw/zinc/22/65/65/419226565.db2.gz NTGDYQPVCAXTFK-STQMWFEESA-N -1 3 283.393 3.001 20 30 CGEDHM CC[C@H](CC#N)NCc1cc(Br)cc(C)c1[O-] ZINC000184082624 262007035 /nfs/dbraw/zinc/00/70/35/262007035.db2.gz JMUOVQPRCJHCFD-GFCCVEGCSA-N -1 3 297.196 3.245 20 30 CGEDHM N#C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@H]1c1ccccc1 ZINC000292763188 263134913 /nfs/dbraw/zinc/13/49/13/263134913.db2.gz JSGSFGJULIHKSB-QAPCUYQASA-N -1 3 296.345 3.270 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)c([O-])c1 ZINC000331235461 264174374 /nfs/dbraw/zinc/17/43/74/264174374.db2.gz 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ZINC000730950582 572386056 /nfs/dbraw/zinc/38/60/56/572386056.db2.gz GUHYMGWEZVBDQN-UHFFFAOYSA-N -1 3 251.285 3.155 20 30 CGEDHM COc1cccc(NN=C(C)c2ccc(OC)cc2[O-])c1 ZINC000725853816 572446055 /nfs/dbraw/zinc/44/60/55/572446055.db2.gz SHHKJLSMLCRHCZ-UHFFFAOYSA-N -1 3 286.331 3.246 20 30 CGEDHM [O-]c1ccccc1/C=N\C[C@H](O)c1ccccc1Cl ZINC000740763662 572455501 /nfs/dbraw/zinc/45/55/01/572455501.db2.gz OAFSRAYMJPMOLK-MBBOSUJBSA-N -1 3 275.735 3.198 20 30 CGEDHM CCn1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cn1 ZINC000732529891 572471034 /nfs/dbraw/zinc/47/10/34/572471034.db2.gz BLONHRDTDRWYEO-ISAHRAOESA-N -1 3 286.306 3.131 20 30 CGEDHM CCO[C@@H]1C[C@H](/N=C\c2c([O-])cccc2OC)C12CCC2 ZINC000741465363 572500557 /nfs/dbraw/zinc/50/05/57/572500557.db2.gz UUKQCQUKZNWPMM-OLVBWSQLSA-N -1 3 289.375 3.167 20 30 CGEDHM CC(=NNc1cnnc2ccccc21)c1cc(F)ccc1[O-] ZINC000733748059 572601353 /nfs/dbraw/zinc/60/13/53/572601353.db2.gz DPVKQZJNRRMRHK-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM COc1ccc(C=NNc2cccc(F)c2F)c([O-])c1 ZINC000743443282 572661816 /nfs/dbraw/zinc/66/18/16/572661816.db2.gz FOXDVJFHRMTQSQ-UHFFFAOYSA-N -1 3 278.258 3.125 20 30 CGEDHM CC(C)(C/N=C/c1ccc(O)c([O-])c1O)Cc1ccccc1 ZINC000735228608 572707104 /nfs/dbraw/zinc/70/71/04/572707104.db2.gz DCANOIKNYNCEAI-YBFXNURJSA-N -1 3 299.370 3.491 20 30 CGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1nccs1 ZINC000735229409 572707932 /nfs/dbraw/zinc/70/79/32/572707932.db2.gz ZETUBRVSPPXVOQ-UQBZRGDZSA-N -1 3 275.304 3.371 20 30 CGEDHM CCO[C@@H](CC/N=C\c1c([O-])cccc1OC)C(C)C ZINC000746391841 572868472 /nfs/dbraw/zinc/86/84/72/572868472.db2.gz BWCOYUGKVPCHJJ-ZCQLHAAUSA-N -1 3 279.380 3.271 20 30 CGEDHM CCOc1ccc(C=Nc2cc(C#N)ccc2OC)c([O-])c1 ZINC000747361879 572926741 /nfs/dbraw/zinc/92/67/41/572926741.db2.gz AOWGXOMMSNAAHD-UHFFFAOYSA-N -1 3 296.326 3.422 20 30 CGEDHM CCOc1ccc([O-])c(C=Nc2cc(C#N)ccc2OC)c1 ZINC000747362089 572926877 /nfs/dbraw/zinc/92/68/77/572926877.db2.gz MAEFCNIELLEGKF-UHFFFAOYSA-N -1 3 296.326 3.422 20 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3.464 20 30 CGEDHM Cc1cc(C)cc(CC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000900094516 620761369 /nfs/dbraw/zinc/76/13/69/620761369.db2.gz OBYMSBOOTMDPND-UHFFFAOYSA-N -1 3 287.334 3.403 20 30 CGEDHM Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1C(N)=O ZINC000255163112 618008435 /nfs/dbraw/zinc/00/84/35/618008435.db2.gz KTLDSPBZOPDQKN-UHFFFAOYSA-N -1 3 288.734 3.204 20 30 CGEDHM Cc1cc(F)cc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255333868 618208524 /nfs/dbraw/zinc/20/85/24/618208524.db2.gz CSHUAROSFRHXND-UHFFFAOYSA-N -1 3 261.252 3.002 20 30 CGEDHM N#Cc1ccccc1/C=C1/Cc2c(cccc2[O-])C1=O ZINC000255356171 618215633 /nfs/dbraw/zinc/21/56/33/618215633.db2.gz IEXUVMSVCLVRFM-JYRVWZFOSA-N -1 3 261.280 3.086 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc([O-])c(F)c2)ccc1O ZINC000255394551 618279425 /nfs/dbraw/zinc/27/94/25/618279425.db2.gz LAOSQHCIQYSEFI-DJWKRKHSSA-N -1 3 288.274 3.142 20 30 CGEDHM [O-]c1ccc(C=NNc2ccccc2OC(F)(F)F)nc1 ZINC000777453835 619153883 /nfs/dbraw/zinc/15/38/83/619153883.db2.gz SONGWOJBVLWFBV-UHFFFAOYSA-N -1 3 297.236 3.132 20 30 CGEDHM CC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000840709784 620105929 /nfs/dbraw/zinc/10/59/29/620105929.db2.gz GEESLBHAJWIZNM-WSLMLHKMSA-N -1 3 284.359 3.158 20 30 CGEDHM CC(=O)c1cc(F)cc(CN(CC#N)C2CCCC2)c1[O-] ZINC000079443208 620227517 /nfs/dbraw/zinc/22/75/17/620227517.db2.gz LMJKPGFVWDDACQ-UHFFFAOYSA-N -1 3 290.338 3.002 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCOC1CCSCC1 ZINC000899233386 620629367 /nfs/dbraw/zinc/62/93/67/620629367.db2.gz HDBCSUARQAPEDC-YBEGLDIGSA-N -1 3 299.823 3.377 20 30 CGEDHM CO[C@@H]1CCC[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901372762 620867526 /nfs/dbraw/zinc/86/75/26/620867526.db2.gz LVYIFVQZGSQGAE-DZGCQCFKSA-N -1 3 295.354 3.139 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cnn(C(C)C)c2)cc(O)c1[O-] ZINC000901525077 620914144 /nfs/dbraw/zinc/91/41/44/620914144.db2.gz SXUWDVHSTKLASH-PLNGDYQASA-N -1 3 286.331 3.080 20 30 CGEDHM O=C(CC1CCOCC1)N([O-])CCCCc1ccccc1 ZINC000904196819 621887931 /nfs/dbraw/zinc/88/79/31/621887931.db2.gz HHTGUJMTRBZXPY-UHFFFAOYSA-N 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JBYYVIVMUFDPIR-UHFFFAOYSA-N -1 3 266.222 3.256 20 30 CGEDHM [O-]c1ccc(C=NNCc2ccc(Cl)cc2Cl)nc1 ZINC000755638979 626633373 /nfs/dbraw/zinc/63/33/73/626633373.db2.gz CEWTVYNTAZJHSK-UHFFFAOYSA-N -1 3 296.157 3.218 20 30 CGEDHM [O-]c1ccc(C=NNc2cc(F)c(F)cc2F)cc1F ZINC000755731521 626640827 /nfs/dbraw/zinc/64/08/27/626640827.db2.gz UOAZHIONFHZKDK-UHFFFAOYSA-N -1 3 284.212 3.395 20 30 CGEDHM CCOc1cc(C=NO[C@H]2CCCCO2)cc(Cl)c1[O-] ZINC000755813044 626649475 /nfs/dbraw/zinc/64/94/75/626649475.db2.gz AWSJYSGLOPLZHY-ZDUSSCGKSA-N -1 3 299.754 3.321 20 30 CGEDHM C#CCCc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000762011863 627080869 /nfs/dbraw/zinc/08/08/69/627080869.db2.gz PSGKWNOCOXDZGA-UHFFFAOYSA-N -1 3 256.305 3.131 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C2=CCCCCC2)nc(C)n1 ZINC000773971945 627933456 /nfs/dbraw/zinc/93/34/56/627933456.db2.gz LYJIWUJWCDZOLE-CQSZACIVSA-N -1 3 269.348 3.160 20 30 CGEDHM CCCCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000862359986 629351404 /nfs/dbraw/zinc/35/14/04/629351404.db2.gz ZCRDGFOJAWYYJL-UHFFFAOYSA-N -1 3 286.375 3.228 20 30 CGEDHM C#CC[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000862575672 629411833 /nfs/dbraw/zinc/41/18/33/629411833.db2.gz XDUYQMXSNHJBRP-CYBMUJFWSA-N -1 3 279.339 3.031 20 30 CGEDHM CC[C@H](C)CON=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000793163262 629419480 /nfs/dbraw/zinc/41/94/80/629419480.db2.gz IBCDCQKQWJMRBM-VIFPVBQESA-N -1 3 271.744 3.451 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CO[C@H](C2CC2)C1 ZINC000864346047 629814938 /nfs/dbraw/zinc/81/49/38/629814938.db2.gz MSQARJAGRXPNNF-ZTGQCEMHSA-N -1 3 265.740 3.032 20 30 CGEDHM CCO[C@@]1(C)C[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000864346434 629815145 /nfs/dbraw/zinc/81/51/45/629815145.db2.gz WNOMEBIVJJXTTH-DLGWJYCXSA-N -1 3 253.729 3.032 20 30 CGEDHM C=CCOCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000797284314 629928367 /nfs/dbraw/zinc/92/83/67/629928367.db2.gz SKIHYRDENRHHGG-UHFFFAOYSA-N -1 3 285.752 3.242 20 30 CGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccoc1C1CC1 ZINC000798816777 630099373 /nfs/dbraw/zinc/09/93/73/630099373.db2.gz OVMCTLBAFONCKC-AWEZNQCLSA-N -1 3 294.310 3.118 20 30 CGEDHM CC(=NNCC1CCCC1)c1ccc([O-])c(F)c1 ZINC000808006209 630616860 /nfs/dbraw/zinc/61/68/60/630616860.db2.gz SIAFPHGNVFOEHL-UHFFFAOYSA-N -1 3 250.317 3.035 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000815784912 631824045 /nfs/dbraw/zinc/82/40/45/631824045.db2.gz OEGZUICZMNQDNK-JTQLQIEISA-N -1 3 287.693 3.101 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(Cl)cc1F ZINC000816196996 631901839 /nfs/dbraw/zinc/90/18/39/631901839.db2.gz AXAMNGDFYWPRHH-UHFFFAOYSA-N -1 3 277.673 3.307 20 30 CGEDHM CN(CC(C)(C)C#N)C(=O)c1cc2sccc2c([O-])c1 ZINC000817623816 632196281 /nfs/dbraw/zinc/19/62/81/632196281.db2.gz OSPQQRGJRQWOLJ-UHFFFAOYSA-N -1 3 288.372 3.229 20 30 CGEDHM CC(C)(C#N)CCCSc1ccccc1-c1nnn[n-]1 ZINC000819891587 632531051 /nfs/dbraw/zinc/53/10/51/632531051.db2.gz BZSZWQOUFIKMAF-UHFFFAOYSA-N -1 3 287.392 3.289 20 30 CGEDHM CC(C)(C#N)CCCSc1ccccc1-c1nn[n-]n1 ZINC000819891587 632531065 /nfs/dbraw/zinc/53/10/65/632531065.db2.gz BZSZWQOUFIKMAF-UHFFFAOYSA-N -1 3 287.392 3.289 20 30 CGEDHM C=C(C)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823878387 633164383 /nfs/dbraw/zinc/16/43/83/633164383.db2.gz XGNAQSMCHNBCRS-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM C=C(C)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823878387 633164390 /nfs/dbraw/zinc/16/43/90/633164390.db2.gz XGNAQSMCHNBCRS-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM Cc1cc([O-])c(C=NNCCC(F)(F)F)c(Cl)c1 ZINC000841637755 635204998 /nfs/dbraw/zinc/20/49/98/635204998.db2.gz YZQDKWHODFPRKH-UHFFFAOYSA-N -1 3 280.677 3.230 20 30 CGEDHM COC(=O)[C@H](CC(C)(C)C)/N=C\c1cc(Cl)ccc1[O-] ZINC000843267025 635628391 /nfs/dbraw/zinc/62/83/91/635628391.db2.gz SIGVQMSFJYWKRA-CHROMADKSA-N -1 3 297.782 3.442 20 30 CGEDHM C=C[C@@H](C)ON=C(C)c1cc(Br)ccc1[O-] ZINC000844622502 635944856 /nfs/dbraw/zinc/94/48/56/635944856.db2.gz DYWQTGXRXTXXFI-MRVPVSSYSA-N -1 3 284.153 3.470 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000844666806 635951738 /nfs/dbraw/zinc/95/17/38/635951738.db2.gz GFTCIZIEAMYIPF-SECBINFHSA-N -1 3 295.408 3.385 20 30 CGEDHM C=CC[C@@H]1CCCC[C@@H]1/N=C\c1c([O-])c(C)ncc1CO ZINC000849170501 636762171 /nfs/dbraw/zinc/76/21/71/636762171.db2.gz MODOZMITVZZOBW-LRZFIDCISA-N -1 3 288.391 3.142 20 30 CGEDHM CCN(Cc1c([O-])ccc2ccc(OC)cc21)[C@H](C)C#N ZINC000853580064 637870454 /nfs/dbraw/zinc/87/04/54/637870454.db2.gz XVKCDXPLNOIXPI-GFCCVEGCSA-N -1 3 284.359 3.288 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1c(C)nc2ccccc2c1C ZINC000856030068 638287488 /nfs/dbraw/zinc/28/74/88/638287488.db2.gz OCQZNRWIDWHOGS-UHFFFAOYSA-N -1 3 284.359 3.018 20 30 CGEDHM C=CCCO[N-]C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000856033288 638288567 /nfs/dbraw/zinc/28/85/67/638288567.db2.gz CRPGRIOMSLOEFN-UHFFFAOYSA-N -1 3 279.767 3.287 20 30 CGEDHM O=C([C@@H]1C[C@H]1C(F)(F)F)N([O-])Cc1ccccc1Cl ZINC001161807263 806458747 /nfs/dbraw/zinc/45/87/47/806458747.db2.gz GNUNEGAEAVZBTG-RKDXNWHRSA-N -1 3 293.672 3.256 20 30 CGEDHM CCOC1CC(C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001161819213 806463260 /nfs/dbraw/zinc/46/32/60/806463260.db2.gz OWDNBIUMGYFDEH-UHFFFAOYSA-N -1 3 291.391 3.042 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CC[C@@H]1CCCCO1 ZINC000588410031 799690413 /nfs/dbraw/zinc/69/04/13/799690413.db2.gz YPBVLZYQRCVXNR-ATTDUZETSA-N -1 3 267.756 3.424 20 30 CGEDHM C#CCN(C(=O)c1ccc(C)cc1[O-])C1CCCCC1 ZINC000688815004 799756948 /nfs/dbraw/zinc/75/69/48/799756948.db2.gz UXGKYFHVDQSEHF-UHFFFAOYSA-N -1 3 271.360 3.109 20 30 CGEDHM C[C@H]1Cc2cc(-c3ccc([O-])c(C#N)c3)ccc2O1 ZINC000720093505 800251793 /nfs/dbraw/zinc/25/17/93/800251793.db2.gz JZNFMXQKVBDNEQ-JTQLQIEISA-N -1 3 251.285 3.254 20 30 CGEDHM COC(=O)Cc1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001243957505 803100326 /nfs/dbraw/zinc/10/03/26/803100326.db2.gz SPEYWPUQBXOCIZ-VCHYOVAHSA-N -1 3 287.290 3.016 20 30 CGEDHM Cc1cc(-c2cncc(CC#N)c2)cc(Cl)c1[O-] ZINC001244546722 803431977 /nfs/dbraw/zinc/43/19/77/803431977.db2.gz HRAQUFQWSGVUFM-UHFFFAOYSA-N -1 3 258.708 3.482 20 30 CGEDHM CCOc1ncc(-c2ccccc2C=N[O-])cc1C ZINC001244684766 803493829 /nfs/dbraw/zinc/49/38/29/803493829.db2.gz SKOSSXRNGLTNKN-UHFFFAOYSA-N -1 3 256.305 3.264 20 30 CGEDHM COc1c(O)cccc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001244993771 803608370 /nfs/dbraw/zinc/60/83/70/803608370.db2.gz YDORXOHAEHBIOE-MHWRWJLKSA-N -1 3 257.289 3.266 20 30 CGEDHM CCCCCCCCNC(=S)NCc1ncccc1[O-] ZINC001247175881 804675018 /nfs/dbraw/zinc/67/50/18/804675018.db2.gz BREQMGVLBCEBJC-UHFFFAOYSA-N -1 3 295.452 3.112 20 30 CGEDHM N#Cc1ccc(Cl)nc1Nc1cc(F)cc(F)c1[O-] ZINC001212479919 815034970 /nfs/dbraw/zinc/03/49/70/815034970.db2.gz ZCPKIQBQIFDUCS-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM Cc1ccc(C(=O)Nc2ccc(F)c(CC#N)c2)c([O-])c1 ZINC001148505910 805191276 /nfs/dbraw/zinc/19/12/76/805191276.db2.gz KIRGECZENDJUSA-UHFFFAOYSA-N -1 3 284.290 3.158 20 30 CGEDHM N#Cc1cc(NC(=O)c2cc3c(s2)CCCC3)ccc1[O-] ZINC001150814531 805270927 /nfs/dbraw/zinc/27/09/27/805270927.db2.gz KYDLZJQMVOIRBD-UHFFFAOYSA-N -1 3 298.367 3.456 20 30 CGEDHM CC(C)(C)c1noc(Nc2c([O-])cccc2F)c1C#N ZINC001249988656 805346550 /nfs/dbraw/zinc/34/65/50/805346550.db2.gz IPHKUIOZDTZYTA-UHFFFAOYSA-N -1 3 275.283 3.432 20 30 CGEDHM N#CCOc1ccccc1Nc1c(F)cc([O-])cc1F ZINC001212603898 815082943 /nfs/dbraw/zinc/08/29/43/815082943.db2.gz XCBIVUVNGFLSDI-UHFFFAOYSA-N -1 3 276.242 3.316 20 30 CGEDHM CC(C)(C)n1ncc(C#N)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213370929 815271077 /nfs/dbraw/zinc/27/10/77/815271077.db2.gz POMPAXOPITWHHD-UHFFFAOYSA-N -1 3 292.289 3.237 20 30 CGEDHM C=C[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC001295128492 809482370 /nfs/dbraw/zinc/48/23/70/809482370.db2.gz VEGXVPJMCVFMLB-LBPRGKRZSA-N -1 3 271.291 3.440 20 30 CGEDHM CCc1ccc(C(=O)NCc2ccc(C)c(C#N)c2)c([O-])c1 ZINC001303417523 809610414 /nfs/dbraw/zinc/61/04/14/809610414.db2.gz GTCQGKDOVROUAT-UHFFFAOYSA-N -1 3 294.354 3.065 20 30 CGEDHM Cc1c(C#N)cccc1NCc1cc(F)c(F)cc1[O-] ZINC001180786280 810021791 /nfs/dbraw/zinc/02/17/91/810021791.db2.gz DUVPMDKIFRCRBW-UHFFFAOYSA-N -1 3 274.270 3.463 20 30 CGEDHM N#Cc1cc(NC(=O)Cc2occ3ccccc32)ccc1[O-] ZINC001182502512 810112587 /nfs/dbraw/zinc/11/25/87/810112587.db2.gz JSKHYBGWDPTARH-UHFFFAOYSA-N -1 3 292.294 3.191 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1ccc(Cl)nc1C ZINC001184305310 810189979 /nfs/dbraw/zinc/18/99/79/810189979.db2.gz FRGUBCAIBNNPKD-UHFFFAOYSA-N -1 3 284.787 3.384 20 30 CGEDHM N#Cc1cnoc1[N-]C(=O)Nc1ccc2ccccc2c1 ZINC001188582239 810490357 /nfs/dbraw/zinc/49/03/57/810490357.db2.gz MNNOIPWUTBJERN-UHFFFAOYSA-N -1 3 278.271 3.343 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cccc3c2OCO3)cc1 ZINC001242589602 823048290 /nfs/dbraw/zinc/04/82/90/823048290.db2.gz HAAHRIMXRCVPQO-MHWRWJLKSA-N -1 3 255.273 3.281 20 30 CGEDHM N#Cc1cc(NC(=S)NC2CCCCCC2)ccc1[O-] ZINC001199972042 811621348 /nfs/dbraw/zinc/62/13/48/811621348.db2.gz SBZOIXPCGACCEV-UHFFFAOYSA-N -1 3 289.404 3.273 20 30 CGEDHM Cc1c(Cl)c(C#N)ccc1Nc1cncc([O-])c1 ZINC001201642174 811928810 /nfs/dbraw/zinc/92/88/10/811928810.db2.gz OEOISKZVYIFUCA-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM N#Cc1ccc(-c2noc(-c3cc([O-])ccc3Cl)n2)nc1 ZINC001215348124 815509283 /nfs/dbraw/zinc/50/92/83/815509283.db2.gz PVUUPHNDIMNKMV-UHFFFAOYSA-N -1 3 298.689 3.029 20 30 CGEDHM [O-]N=C1CCc2cc(-c3cc4n[nH]cc4c(F)c3)ccc21 ZINC001206602381 813370797 /nfs/dbraw/zinc/37/07/97/813370797.db2.gz OMDAMUUENNIBNO-HKWRFOASSA-N -1 3 281.290 3.494 20 30 CGEDHM CC1(C)CC(=O)C=C(Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001210149043 814311155 /nfs/dbraw/zinc/31/11/55/814311155.db2.gz FYAVRNNJWNJBJD-UHFFFAOYSA-N -1 3 297.358 3.263 20 30 CGEDHM N#Cc1cc2cccnc2nc1Nc1cccc(F)c1[O-] ZINC001210195154 814331713 /nfs/dbraw/zinc/33/17/13/814331713.db2.gz GFNUZSVWWPAMSE-UHFFFAOYSA-N -1 3 280.262 3.090 20 30 CGEDHM CSc1cccc(F)c1[N-]c1onc(C)c1C#N ZINC001215822078 815605484 /nfs/dbraw/zinc/60/54/84/815605484.db2.gz NXOZFANEEFQQNH-UHFFFAOYSA-N -1 3 263.297 3.459 20 30 CGEDHM COC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1C ZINC001211173127 814841663 /nfs/dbraw/zinc/84/16/63/814841663.db2.gz ZHZYFOUJIMKFNT-UHFFFAOYSA-N -1 3 282.299 3.103 20 30 CGEDHM CCc1ccc(Nc2cc(C#N)cc([N+](=O)[O-])c2)c([O-])c1 ZINC001211332995 814880464 /nfs/dbraw/zinc/88/04/64/814880464.db2.gz OMEUBORYSMLOHQ-UHFFFAOYSA-N -1 3 283.287 3.478 20 30 CGEDHM COc1cc(C#N)ccc1Nc1cc(C)c(F)c([O-])c1 ZINC001216080708 815685891 /nfs/dbraw/zinc/68/58/91/815685891.db2.gz JWBQEFSGBRFRKP-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM N#Cc1cc([O-])ccc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216484759 815839059 /nfs/dbraw/zinc/83/90/59/815839059.db2.gz YZNLDFBUDVYDHF-UHFFFAOYSA-N -1 3 273.223 3.055 20 30 CGEDHM CCOc1ccc(-c2cccc(/C=N/[O-])c2)c(C)n1 ZINC001222110850 816349562 /nfs/dbraw/zinc/34/95/62/816349562.db2.gz UEMYKRHGMRBGNR-MHWRWJLKSA-N -1 3 256.305 3.264 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccccc2F)[n-]1 ZINC001225467503 817060746 /nfs/dbraw/zinc/06/07/46/817060746.db2.gz RWKNWZNFZARNMF-JTQLQIEISA-N -1 3 272.279 3.246 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccccc2F)[n-]1 ZINC001225467504 817062008 /nfs/dbraw/zinc/06/20/08/817062008.db2.gz RWKNWZNFZARNMF-SNVBAGLBSA-N 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PIGSJHIOLULUCJ-CYBMUJFWSA-N -1 3 270.336 3.156 20 30 CGEDHM C=C(C)C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)C(=C)C ZINC001228698338 817978294 /nfs/dbraw/zinc/97/82/94/817978294.db2.gz PIGSJHIOLULUCJ-CYBMUJFWSA-N -1 3 270.336 3.156 20 30 CGEDHM C=C(C)C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)C(=C)C ZINC001228698338 817978298 /nfs/dbraw/zinc/97/82/98/817978298.db2.gz PIGSJHIOLULUCJ-CYBMUJFWSA-N -1 3 270.336 3.156 20 30 CGEDHM Cc1ccc([O-])c(CN(CCC#N)Cc2ccccc2)n1 ZINC001231671332 818156894 /nfs/dbraw/zinc/15/68/94/818156894.db2.gz PYJPWRHPAVRJDK-UHFFFAOYSA-N -1 3 281.359 3.012 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@H]1COCc2ccccc21 ZINC001233524964 818633967 /nfs/dbraw/zinc/63/39/67/818633967.db2.gz SDONXMGKHYUFLX-SFHVURJKSA-N -1 3 293.322 3.433 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC[C@@H](C)C1 ZINC001233804274 818708000 /nfs/dbraw/zinc/70/80/00/818708000.db2.gz WDFTTYOMXIKOBB-GAXBVXIKSA-N -1 3 263.337 3.461 20 30 CGEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cccc(N(C)C)c1 ZINC001234145023 818789859 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ZINC001242438443 822995003 /nfs/dbraw/zinc/99/50/03/822995003.db2.gz ZKSKEBLUFCWZKI-ICFOKQHNSA-N -1 3 255.321 3.256 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccc3ncncc3c2)cc1F ZINC001242514246 823016577 /nfs/dbraw/zinc/01/65/77/823016577.db2.gz LBUOEWRUQQTSQI-UFWORHAWSA-N -1 3 267.263 3.244 20 30 CGEDHM N#Cc1cc(Cl)cc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001242569447 823037978 /nfs/dbraw/zinc/03/79/78/823037978.db2.gz XLTSBTDIBGXXPM-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM N#Cc1cc(Cl)cc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001242569447 823037982 /nfs/dbraw/zinc/03/79/82/823037982.db2.gz XLTSBTDIBGXXPM-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM Cc1cnc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)c1 ZINC001340557624 936407970 /nfs/dbraw/zinc/40/79/70/936407970.db2.gz DEFFFONAXCKNJY-LBPRGKRZSA-N -1 3 290.326 3.065 20 30 CGEDHM CCn1cccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC001345071737 936799785 /nfs/dbraw/zinc/79/97/85/936799785.db2.gz RIMCVTFPRONGEY-LLVKDONJSA-N -1 3 285.372 3.332 20 30 CGEDHM C=CCO[N-]C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC001449661640 937380853 /nfs/dbraw/zinc/38/08/53/937380853.db2.gz YSWJBSQQLZLSJA-UHFFFAOYSA-N -1 3 283.327 3.037 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N(O)Cc2ccc(F)cc2)c1 ZINC001458016953 937448398 /nfs/dbraw/zinc/44/83/98/937448398.db2.gz ONSIWSPFSYBGLI-UHFFFAOYSA-N -1 3 289.306 3.125 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ccc(OC(C)C)cn1 ZINC001458010698 937448644 /nfs/dbraw/zinc/44/86/44/937448644.db2.gz JPUCCTZMSLSACF-UHFFFAOYSA-N -1 3 280.368 3.281 20 30 CGEDHM O=C([C@@H]1CC2CCC1CC2)N([O-])Cc1ccc(F)cc1 ZINC001458021471 937449406 /nfs/dbraw/zinc/44/94/06/937449406.db2.gz AOSDDCNEISLUPS-ABIUDSBCSA-N -1 3 277.339 3.370 20 30 CGEDHM COC(=O)c1ccc([O-])cc1NC=Cc1ccc(C#N)cc1 ZINC001203310277 931998886 /nfs/dbraw/zinc/99/88/86/931998886.db2.gz RUSZTIKVMNPKBE-CMDGGOBGSA-N -1 3 294.310 3.133 20 30 CGEDHM C#C[C@H]1CCC[C@H]1Oc1cccc([O-])c1Br ZINC001229141099 932104532 /nfs/dbraw/zinc/10/45/32/932104532.db2.gz INVVZXDNPATJKH-GXSJLCMTSA-N -1 3 281.149 3.335 20 30 CGEDHM C#CC[C@H](CC)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354378 932138957 /nfs/dbraw/zinc/13/89/57/932138957.db2.gz XXBHNYHTAKQZFP-VIFPVBQESA-N -1 3 278.402 3.469 20 30 CGEDHM CO[C@H]1CCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306895897 932891571 /nfs/dbraw/zinc/89/15/71/932891571.db2.gz AITIQRWJVMWQMT-HOTGVXAUSA-N -1 3 291.391 3.042 20 30 CGEDHM C#CCCCC(=O)N([O-])CCCCc1ccccc1 ZINC001306896436 932891721 /nfs/dbraw/zinc/89/17/21/932891721.db2.gz XBGWIOHZQVQBJZ-UHFFFAOYSA-N -1 3 259.349 3.031 20 30 CGEDHM CO[C@@H]1CCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306895900 932891801 /nfs/dbraw/zinc/89/18/01/932891801.db2.gz AITIQRWJVMWQMT-JKSUJKDBSA-N -1 3 291.391 3.042 20 30 CGEDHM O=C([C@H]1[C@@H]2CCC[C@@H]21)N([O-])CCCCc1ccccc1 ZINC001306895929 932891919 /nfs/dbraw/zinc/89/19/19/932891919.db2.gz BKQLTHOWBAHQLH-ZSHCYNCHSA-N -1 3 273.376 3.273 20 30 CGEDHM C=CCN(C(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001468643733 937730278 /nfs/dbraw/zinc/73/02/78/937730278.db2.gz DULHPAGYGBRFCC-UHFFFAOYSA-N -1 3 285.318 3.293 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccco1 ZINC001472620118 937778358 /nfs/dbraw/zinc/77/83/58/937778358.db2.gz PONWHOZDMDNQJF-SNVBAGLBSA-N -1 3 279.723 3.455 20 30 CGEDHM CC(C)C(C#N)=CNN=c1[nH]c2ccccc2[n-]c1=S ZINC001335347434 936140574 /nfs/dbraw/zinc/14/05/74/936140574.db2.gz QSRVZOFVVZCQDI-SNVBAGLBSA-N -1 3 285.376 3.486 20 30 CGEDHM O=C(CC[C@H]1CCCO1)N([O-])CCCCc1ccccc1 ZINC001559034080 938218994 /nfs/dbraw/zinc/21/89/94/938218994.db2.gz LUMGPXOZJBUZTE-MRXNPFEDSA-N -1 3 291.391 3.186 20 30 CGEDHM CCCCN([O-])C(=O)c1nc(-c2ccco2)sc1C ZINC001559035474 938219149 /nfs/dbraw/zinc/21/91/49/938219149.db2.gz RSXRPPPOBMTOGR-UHFFFAOYSA-N -1 3 280.349 3.343 20 30 CGEDHM N#Cc1ccc(Nc2cc(Cl)ncc2[O-])c(F)c1 ZINC001201562073 957898594 /nfs/dbraw/zinc/89/85/94/957898594.db2.gz XNFBSXZASCCSIM-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM N#Cc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(N)c1 ZINC001244093587 960418321 /nfs/dbraw/zinc/41/83/21/960418321.db2.gz JYISPQHABLKHCS-UHFFFAOYSA-N -1 3 265.341 3.103 20 30 CGEDHM C=C(Cl)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001573300336 962236021 /nfs/dbraw/zinc/23/60/21/962236021.db2.gz XWLNVIIPYBWBBY-UHFFFAOYSA-N -1 3 287.175 3.365 20 30 CGEDHM C=C(Cl)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001573300336 962236032 /nfs/dbraw/zinc/23/60/32/962236032.db2.gz XWLNVIIPYBWBBY-UHFFFAOYSA-N -1 3 287.175 3.365 20 30 CGEDHM C=C(C)CCSCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588424171 963266761 /nfs/dbraw/zinc/26/67/61/963266761.db2.gz GSTYXIBKJLPYRT-UHFFFAOYSA-N -1 3 274.393 3.375 20 30 CGEDHM C=C(C)CCSCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588424171 963266775 /nfs/dbraw/zinc/26/67/75/963266775.db2.gz GSTYXIBKJLPYRT-UHFFFAOYSA-N -1 3 274.393 3.375 20 30 CGEDHM C=C[C@H](N[C@@H](c1ccccc1)c1ccc(OC)cc1)C(=O)[O-] ZINC001588696840 963304540 /nfs/dbraw/zinc/30/45/40/963304540.db2.gz RRHZNUXLKOYIIK-IRXDYDNUSA-N -1 3 297.354 3.013 20 30 CGEDHM C=CC[C@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccncc1 ZINC001588746279 963309552 /nfs/dbraw/zinc/30/95/52/963309552.db2.gz RABSFQWDOSXRMT-WBMJQRKESA-N -1 3 297.358 3.143 20 30 CGEDHM CC(C)CCCSc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589598036 964004691 /nfs/dbraw/zinc/00/46/91/964004691.db2.gz QGLIZQQCBQCIKO-UHFFFAOYSA-N -1 3 287.392 3.267 20 30 CGEDHM CC(C)CCCSc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589598036 964004692 /nfs/dbraw/zinc/00/46/92/964004692.db2.gz QGLIZQQCBQCIKO-UHFFFAOYSA-N -1 3 287.392 3.267 20 30 CGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)c(C)cc1Cl ZINC000334902778 529588487 /nfs/dbraw/zinc/58/84/87/529588487.db2.gz ZUOQNIBDKGJNMZ-SNVBAGLBSA-N -1 3 286.784 3.001 20 30 CGEDHM C=CCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125362194 346016683 /nfs/dbraw/zinc/01/66/83/346016683.db2.gz DTQOTSVUKXDJFL-UHFFFAOYSA-N -1 3 259.227 3.316 20 30 CGEDHM N#CCCCCC(=O)Nc1c([O-])cccc1Cl ZINC000594367674 347172012 /nfs/dbraw/zinc/17/20/12/347172012.db2.gz UNPZJVHPNGWGPM-UHFFFAOYSA-N -1 3 252.701 3.068 20 30 CGEDHM C[C@@H]1CC(CCN=c2[n-]c(C#N)c(Cl)s2)C[C@@H](C)O1 ZINC000596227561 347400728 /nfs/dbraw/zinc/40/07/28/347400728.db2.gz QVIUZZAKCCMVKX-RKDXNWHRSA-N -1 3 299.827 3.096 20 30 CGEDHM COc1ccc(NC(=O)CC2(C#N)CCCCC2)c([O-])c1 ZINC000597544836 347581526 /nfs/dbraw/zinc/58/15/26/347581526.db2.gz KLIKRJSCPBCOPU-UHFFFAOYSA-N -1 3 288.347 3.203 20 30 CGEDHM Cc1noc(C(F)F)c1C(=O)[N-]c1ccc(F)cc1C#N ZINC000610577718 348391048 /nfs/dbraw/zinc/39/10/48/348391048.db2.gz HDAGWPISPRWJLW-UHFFFAOYSA-N -1 3 295.220 3.184 20 30 CGEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000291673618 198058990 /nfs/dbraw/zinc/05/89/90/198058990.db2.gz BOUKUIDDIVGXHO-SECBINFHSA-N -1 3 281.743 3.311 20 30 CGEDHM CCCc1nc(C)c(C(=O)[N-]c2scc(C)c2C#N)o1 ZINC000297872169 200296451 /nfs/dbraw/zinc/29/64/51/200296451.db2.gz UDIOVTGETOEAJL-UHFFFAOYSA-N -1 3 289.360 3.429 20 30 CGEDHM N#Cc1ccsc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000335804122 212553176 /nfs/dbraw/zinc/55/31/76/212553176.db2.gz QKZPRULHZWFITC-UHFFFAOYSA-N -1 3 282.246 3.289 20 30 CGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccs1 ZINC000001238807 368404686 /nfs/dbraw/zinc/40/46/86/368404686.db2.gz YVCQRHRZUFNSTF-SNVBAGLBSA-N -1 3 281.340 3.125 20 30 CGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccon1 ZINC000108324996 370357695 /nfs/dbraw/zinc/35/76/95/370357695.db2.gz VNNSBEFIIRMQLV-JTQLQIEISA-N -1 3 287.344 3.179 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000293563687 372411290 /nfs/dbraw/zinc/41/12/90/372411290.db2.gz VACPCNPVQYPDBW-LBPRGKRZSA-N -1 3 299.292 3.367 20 30 CGEDHM N#CCc1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770856 372840492 /nfs/dbraw/zinc/84/04/92/372840492.db2.gz VFVJMYKVXBODPV-UHFFFAOYSA-N -1 3 277.283 3.175 20 30 CGEDHM Cc1csc([C@H](C)C/N=C/c2ccccc2[O-])n1 ZINC000182164862 374226729 /nfs/dbraw/zinc/22/67/29/374226729.db2.gz IEHZMQAFLRICSB-XBLUXWHVSA-N -1 3 260.362 3.380 20 30 CGEDHM N#CCN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CCCC1 ZINC000182785681 374326803 /nfs/dbraw/zinc/32/68/03/374326803.db2.gz CJEBVFPGPKIMMA-UHFFFAOYSA-N -1 3 298.386 3.179 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2scnc2C2CC2)n1 ZINC000329692984 374423318 /nfs/dbraw/zinc/42/33/18/374423318.db2.gz AVDIZJLUFPQFDD-UHFFFAOYSA-N -1 3 275.333 3.066 20 30 CGEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCCC12CCCC2 ZINC000329733094 374424277 /nfs/dbraw/zinc/42/42/77/374424277.db2.gz JIYFPOMPFGQRMI-WDEREUQCSA-N -1 3 293.367 3.089 20 30 CGEDHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329892597 374438537 /nfs/dbraw/zinc/43/85/37/374438537.db2.gz ADXOTXCGIFPVBB-UWVGGRQHSA-N -1 3 268.382 3.368 20 30 CGEDHM C=C(C)CO[N-]C(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000493267086 375465733 /nfs/dbraw/zinc/46/57/33/375465733.db2.gz NYSZIRHNSJFJJX-HHQZKXIDSA-N -1 3 261.321 3.040 20 30 CGEDHM N#CC(=C([O-])c1cccc(F)c1)c1cnc2ccccc2n1 ZINC000190986169 375558839 /nfs/dbraw/zinc/55/88/39/375558839.db2.gz PSUSSXRZGWVGBB-CYBMUJFWSA-N -1 3 291.285 3.259 20 30 CGEDHM Cc1csc([N-]C(=O)c2ccoc2Cl)c1C#N ZINC000335993927 375600904 /nfs/dbraw/zinc/60/09/04/375600904.db2.gz FJHKNNJWURDIDF-UHFFFAOYSA-N -1 3 266.709 3.427 20 30 CGEDHM Cc1nsc([N-]C(=O)c2cc(Cl)ccc2F)c1C#N ZINC000336160060 375736984 /nfs/dbraw/zinc/73/69/84/375736984.db2.gz HKADZOZDEJNENN-UHFFFAOYSA-N -1 3 295.726 3.368 20 30 CGEDHM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])cc1)CO2 ZINC000193113476 375827553 /nfs/dbraw/zinc/82/75/53/375827553.db2.gz WWDKRHRDRLFSAR-WQLSENKSSA-N -1 3 282.295 3.060 20 30 CGEDHM CCc1cccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1[O-] ZINC000538745762 376267607 /nfs/dbraw/zinc/26/76/07/376267607.db2.gz XZMHWLYVIRCHHR-PXAZEXFGSA-N -1 3 286.375 3.157 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(F)cc2C)n1 ZINC000155903791 542125852 /nfs/dbraw/zinc/12/58/52/542125852.db2.gz AAVDLPGLSSALHC-GFCCVEGCSA-N -1 3 274.320 3.389 20 30 CGEDHM C=CCC(CC=C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556894022 376902199 /nfs/dbraw/zinc/90/21/99/376902199.db2.gz IKKHYYSLBZOKAJ-UHFFFAOYSA-N -1 3 273.332 3.302 20 30 CGEDHM CCc1cccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1[O-] ZINC000556931423 376906834 /nfs/dbraw/zinc/90/68/34/376906834.db2.gz CURUMYUFENSIKQ-OAHLLOKOSA-N -1 3 298.317 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CC1(C)CCC[C@@H]1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000329483288 281023178 /nfs/dbraw/zinc/02/31/78/281023178.db2.gz WLWYDSDIFGZXMU-SECBINFHSA-N -1 3 290.342 3.228 20 30 CGEDHM C=CC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000563278416 328006753 /nfs/dbraw/zinc/00/67/53/328006753.db2.gz JRIJAJJGENYJDD-CQSZACIVSA-N -1 3 279.767 3.364 20 30 CGEDHM C=CCN(CCc1ccccc1)Cc1ncccc1[O-] ZINC000571364221 328116776 /nfs/dbraw/zinc/11/67/76/328116776.db2.gz ABONWOATYHHNBA-UHFFFAOYSA-N -1 3 268.360 3.018 20 30 CGEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccon1 ZINC000066856426 329849994 /nfs/dbraw/zinc/84/99/94/329849994.db2.gz XBZKKKNFKQJIKH-SNVBAGLBSA-N -1 3 287.344 3.321 20 30 CGEDHM C=CCCCO[N-]C(=O)c1c(F)cccc1Cl ZINC000265823014 330063280 /nfs/dbraw/zinc/06/32/80/330063280.db2.gz INHDSZCWCLYRQV-UHFFFAOYSA-N -1 3 257.692 3.107 20 30 CGEDHM C=CCOc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000426697086 330514055 /nfs/dbraw/zinc/51/40/55/330514055.db2.gz VUMISXOYJAKIQI-UHFFFAOYSA-N -1 3 297.354 3.239 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCc1cc2ccccc2o1 ZINC000489649145 332063112 /nfs/dbraw/zinc/06/31/12/332063112.db2.gz RMSZRIBQHAHQDG-UHFFFAOYSA-N -1 3 287.344 3.208 20 30 CGEDHM N#C[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000236556084 333373650 /nfs/dbraw/zinc/37/36/50/333373650.db2.gz QGQWGVJADCNYES-AWEZNQCLSA-N -1 3 292.766 3.248 20 30 CGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000545353465 333979918 /nfs/dbraw/zinc/97/99/18/333979918.db2.gz LHYDISFVQICCFU-VIFPVBQESA-N -1 3 293.841 3.343 20 30 CGEDHM C[C@@H](C#N)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000176078958 335234995 /nfs/dbraw/zinc/23/49/95/335234995.db2.gz CHGCLNJTVOSEHJ-LBPRGKRZSA-N -1 3 296.326 3.074 20 30 CGEDHM CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]c1nncn1C1CC1 ZINC000329112782 529284500 /nfs/dbraw/zinc/28/45/00/529284500.db2.gz KVTYYHGFIOLWMA-YPMHNXCESA-N -1 3 292.383 3.186 20 30 CGEDHM C=C(Cl)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748478056 572978387 /nfs/dbraw/zinc/97/83/87/572978387.db2.gz UHRNEHVCIOIHIJ-UHFFFAOYSA-N -1 3 265.067 3.094 20 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295.338 3.273 20 30 CGEDHM COc1cc(C=NNc2ccc(F)cn2)cc(Cl)c1[O-] ZINC000731320441 572407548 /nfs/dbraw/zinc/40/75/48/572407548.db2.gz ZZGXJAYQGWMACB-UHFFFAOYSA-N -1 3 295.701 3.034 20 30 CGEDHM CC(=NNc1ccc(F)cn1)c1cc(Cl)ccc1[O-] ZINC000731318773 572407823 /nfs/dbraw/zinc/40/78/23/572407823.db2.gz OQLOTOMBCYBCMY-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM CON=Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000731790600 572426658 /nfs/dbraw/zinc/42/66/58/572426658.db2.gz SRODJFFZLBKLDT-UHFFFAOYSA-N -1 3 295.298 3.090 20 30 CGEDHM COc1ccc2c(c1)OCC[C@H]2/N=C/c1ccccc1[O-] ZINC000741756556 572523304 /nfs/dbraw/zinc/52/33/04/572523304.db2.gz LOGYSRODJZNPNQ-CLXYIWAZSA-N -1 3 283.327 3.344 20 30 CGEDHM CCOc1ccc(/C=N/CC2CCSCC2)c([O-])c1 ZINC000733204868 572542578 /nfs/dbraw/zinc/54/25/78/572542578.db2.gz CCZKUTRVHWFWCK-LFIBNONCSA-N -1 3 279.405 3.353 20 30 CGEDHM Cc1cc(=O)[n-]c(N=NC(C)CCc2ccccc2F)n1 ZINC000734092444 572629419 /nfs/dbraw/zinc/62/94/19/572629419.db2.gz OCNPGDRWHZNEBP-UHFFFAOYSA-N -1 3 288.326 3.050 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/CCC1CC1 ZINC000743044057 572635568 /nfs/dbraw/zinc/63/55/68/572635568.db2.gz DHFDGWSNNNEUGS-RIYZIHGNSA-N -1 3 268.154 3.374 20 30 CGEDHM COc1ccc2ccc([O-])c(CN(CC#N)C3CC3)c2c1 ZINC000745436651 572816911 /nfs/dbraw/zinc/81/69/11/572816911.db2.gz PYJLQUNYPNFECC-UHFFFAOYSA-N -1 3 282.343 3.042 20 30 CGEDHM [O-]c1ccccc1/C=N\Cc1cc2ccccc2[nH]1 ZINC000746682580 572891828 /nfs/dbraw/zinc/89/18/28/572891828.db2.gz YVSPEDPUZIQADI-YVLHZVERSA-N -1 3 250.301 3.493 20 30 CGEDHM COc1cccc([O-])c1/C=N/CCc1cc(F)cc(F)c1 ZINC000748584423 572980768 /nfs/dbraw/zinc/98/07/68/572980768.db2.gz QXIFVSRYSSLGLI-VXLYETTFSA-N -1 3 291.297 3.341 20 30 CGEDHM C=CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccncc1 ZINC000750190504 573099434 /nfs/dbraw/zinc/09/94/34/573099434.db2.gz JQUNUMQEQULAER-OAHLLOKOSA-N -1 3 282.343 3.143 20 30 CGEDHM N#Cc1ccc(Sc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000750531448 573146450 /nfs/dbraw/zinc/14/64/50/573146450.db2.gz AIBPNXJHELPUID-UHFFFAOYSA-N -1 3 279.324 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/nfs/dbraw/zinc/45/38/10/624453810.db2.gz VYCJGFHYFLJEPM-GRSHGNNSSA-N -1 3 298.386 3.330 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=Nc1cccc(CO)c1 ZINC000920945270 624555604 /nfs/dbraw/zinc/55/56/04/624555604.db2.gz UJINFOZKIYRYLV-UHFFFAOYSA-N -1 3 261.708 3.289 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCCC[C@H]3C#N)n[n-]2)o1 ZINC000839087074 626312205 /nfs/dbraw/zinc/31/22/05/626312205.db2.gz VFAOBBGNDMTXHA-SMDDNHRTSA-N -1 3 299.330 3.217 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCCC[C@H]3C#N)[n-]n2)o1 ZINC000839087074 626312211 /nfs/dbraw/zinc/31/22/11/626312211.db2.gz VFAOBBGNDMTXHA-SMDDNHRTSA-N -1 3 299.330 3.217 20 30 CGEDHM CC1CC(/N=C\c2cc(Br)ccc2[O-])C1 ZINC000751889418 626409171 /nfs/dbraw/zinc/40/91/71/626409171.db2.gz BHKAAWNRTQBGKN-AUWJEWJLSA-N -1 3 268.154 3.372 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1 ZINC000753537557 626454363 /nfs/dbraw/zinc/45/43/63/626454363.db2.gz RHWCFASBXXKDDE-AWEZNQCLSA-N -1 3 287.322 3.428 20 30 CGEDHM CCn1nccc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000753711414 626463089 /nfs/dbraw/zinc/46/30/89/626463089.db2.gz KGQKAYOCAHDWSQ-FJUNDMEASA-N -1 3 286.306 3.131 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC2(CC(C)C)CCC2)c1[O-] ZINC000756775940 626731309 /nfs/dbraw/zinc/73/13/09/626731309.db2.gz RGWXITJSKCDDGX-NVMNQCDNSA-N -1 3 290.407 3.223 20 30 CGEDHM [O-]c1ccc2ccccc2c1C=NOCC(F)F ZINC000758903927 626865247 /nfs/dbraw/zinc/86/52/47/626865247.db2.gz PWCUBWQPWJXDRS-UHFFFAOYSA-N -1 3 251.232 3.161 20 30 CGEDHM CC(N=Nc1ncnc2sccc21)c1sccc1[O-] ZINC000769777458 627577424 /nfs/dbraw/zinc/57/74/24/627577424.db2.gz KLZSUSOXLXWNOG-UHFFFAOYSA-N -1 3 290.373 3.295 20 30 CGEDHM CC(=NN=c1nc[nH]c2sccc21)c1sccc1[O-] ZINC000769777458 627577425 /nfs/dbraw/zinc/57/74/25/627577425.db2.gz KLZSUSOXLXWNOG-UHFFFAOYSA-N -1 3 290.373 3.295 20 30 CGEDHM CCC(=NNCc1ccc(C#N)cc1)c1ccc([O-])c(F)c1 ZINC000769820952 627580650 /nfs/dbraw/zinc/58/06/50/627580650.db2.gz NUAOGMNBGZOTGB-UHFFFAOYSA-N -1 3 297.333 3.307 20 30 CGEDHM CCCCCCCCCC(=O)[N-]OC1CCOCC1 ZINC000772717077 627818027 /nfs/dbraw/zinc/81/80/27/627818027.db2.gz FMKBLFYHNWPWIX-UHFFFAOYSA-N -1 3 271.401 3.354 20 30 CGEDHM N#Cc1cccc(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775932547 628150425 /nfs/dbraw/zinc/15/04/25/628150425.db2.gz AEFZDBHZLQRPEZ-UHFFFAOYSA-N -1 3 287.702 3.274 20 30 CGEDHM CC[C@H](C#N)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786140486 628916343 /nfs/dbraw/zinc/91/63/43/628916343.db2.gz QJQVDMROZBINBR-SECBINFHSA-N -1 3 261.302 3.066 20 30 CGEDHM CCCCCCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000862360728 629351334 /nfs/dbraw/zinc/35/13/34/629351334.db2.gz ZFMSOWFRSVHTFB-UHFFFAOYSA-N -1 3 286.375 3.228 20 30 CGEDHM C=CC[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000862442369 629374072 /nfs/dbraw/zinc/37/40/72/629374072.db2.gz ZBFZVWNCOFRQEM-JTQLQIEISA-N -1 3 253.292 3.068 20 30 CGEDHM CC1(C)CC(N=Nc2nc3ccccc3[n-]c2=S)CO1 ZINC000863125316 629480757 /nfs/dbraw/zinc/48/07/57/629480757.db2.gz SSBTVBYLMYTVPA-UHFFFAOYSA-N -1 3 288.376 3.259 20 30 CGEDHM [O-]c1ccc(F)c(C=NNCc2ccc(F)c(F)c2)c1F ZINC000794495544 629547385 /nfs/dbraw/zinc/54/73/85/629547385.db2.gz RIYCQJWNSUMPPU-UHFFFAOYSA-N -1 3 298.239 3.072 20 30 CGEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[C@H](C)[C@H]2C)c1[O-] ZINC000794847933 629587648 /nfs/dbraw/zinc/58/76/48/629587648.db2.gz KJKUTXVJBAXCPH-RSVNHJJKSA-N -1 3 290.407 3.079 20 30 CGEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000794847932 629587971 /nfs/dbraw/zinc/58/79/71/629587971.db2.gz KJKUTXVJBAXCPH-KQNYQHOBSA-N -1 3 290.407 3.079 20 30 CGEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000797549059 629957771 /nfs/dbraw/zinc/95/77/71/629957771.db2.gz UJGIVUCHGYVBHF-CQSZACIVSA-N -1 3 296.326 3.112 20 30 CGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C#N)[nH]2)s1 ZINC000797567468 629961367 /nfs/dbraw/zinc/96/13/67/629961367.db2.gz IQNORIVRIXGQCU-JTQLQIEISA-N -1 3 298.371 3.130 20 30 CGEDHM CC(C)(C)C#CCOC(=O)c1cc2ccsc2[n-]1 ZINC000798889025 630111901 /nfs/dbraw/zinc/11/19/01/630111901.db2.gz YUWLQTQEBXVCMR-UHFFFAOYSA-N -1 3 261.346 3.436 20 30 CGEDHM CCCCCCCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800523204 630291197 /nfs/dbraw/zinc/29/11/97/630291197.db2.gz IMOMBBKPDBRMIM-UHFFFAOYSA-N -1 3 292.358 3.187 20 30 CGEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000802032190 630373888 /nfs/dbraw/zinc/37/38/88/630373888.db2.gz BYWUUZCJAUEZKZ-LBPRGKRZSA-N -1 3 290.326 3.065 20 30 CGEDHM C=CCO[N-]C(=O)CCCCCc1ccc(OC)cc1 ZINC000837046464 634846754 /nfs/dbraw/zinc/84/67/54/634846754.db2.gz JOUVVCOOTXOMKK-UHFFFAOYSA-N -1 3 277.364 3.032 20 30 CGEDHM C=CCO[N-]C(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000837049767 634848915 /nfs/dbraw/zinc/84/89/15/634848915.db2.gz QNMSWJMQPAOJKA-OAHLLOKOSA-N -1 3 291.391 3.032 20 30 CGEDHM C#CCN(Cc1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000816497852 631994534 /nfs/dbraw/zinc/99/45/34/631994534.db2.gz VWUJJWPNLXHGBM-UHFFFAOYSA-N -1 3 279.330 3.438 20 30 CGEDHM CC#CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823943727 633171491 /nfs/dbraw/zinc/17/14/91/633171491.db2.gz RSKMMDDRSATMSG-UHFFFAOYSA-N -1 3 298.293 3.001 20 30 CGEDHM CC#CCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823943727 633171496 /nfs/dbraw/zinc/17/14/96/633171496.db2.gz RSKMMDDRSATMSG-UHFFFAOYSA-N -1 3 298.293 3.001 20 30 CGEDHM C[C@H]1CCCC[C@H]1CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824939978 633308017 /nfs/dbraw/zinc/30/80/17/633308017.db2.gz YQULSLVZVOBYJT-AAEUAGOBSA-N -1 3 284.367 3.091 20 30 CGEDHM C[C@H]1CCCC[C@H]1CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824939978 633308020 /nfs/dbraw/zinc/30/80/20/633308020.db2.gz YQULSLVZVOBYJT-AAEUAGOBSA-N -1 3 284.367 3.091 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C2=CCC(C)(C)CC2)nc(C)n1 ZINC000835058658 634340279 /nfs/dbraw/zinc/34/02/79/634340279.db2.gz AAJDXFHAMXSSRD-CQSZACIVSA-N -1 3 283.375 3.406 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000846540861 636196619 /nfs/dbraw/zinc/19/66/19/636196619.db2.gz LJYJUZLXKFZBHJ-QMMMGPOBSA-N -1 3 274.147 3.158 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000846546579 636197887 /nfs/dbraw/zinc/19/78/87/636197887.db2.gz WUVSLFGXVIHBSX-UKRRQHHQSA-N 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COBARORKFIXCOE-LLVKDONJSA-N -1 3 262.136 3.048 20 30 CGEDHM CCCCCCN([O-])C(=O)c1nc(C)sc1C ZINC001161826900 806465427 /nfs/dbraw/zinc/46/54/27/806465427.db2.gz OTFPUVASJSQAFI-UHFFFAOYSA-N -1 3 256.371 3.172 20 30 CGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cccs2)c1 ZINC000127474091 799013942 /nfs/dbraw/zinc/01/39/42/799013942.db2.gz CKLPIYLDZUNQIN-LBPRGKRZSA-N -1 3 284.340 3.018 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccs1)c1ccccn1 ZINC000255320706 799170635 /nfs/dbraw/zinc/17/06/35/799170635.db2.gz VFUOAICPZLKSFJ-ZHRWSRJISA-N -1 3 254.314 3.033 20 30 CGEDHM Cc1cc(F)cc(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001122632128 802877828 /nfs/dbraw/zinc/87/78/28/802877828.db2.gz PVSJALJXQXPVJP-LBPRGKRZSA-N -1 3 272.254 3.158 20 30 CGEDHM COc1cc(C#N)nc(-c2ccc([O-])cc2C(F)(F)F)c1 ZINC001205073447 812849160 /nfs/dbraw/zinc/84/91/60/812849160.db2.gz MUFXIJPFBMDGCI-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM COCc1cc(OC)ccc1-c1cccc(/C=N/[O-])c1 ZINC001244014469 803140475 /nfs/dbraw/zinc/14/04/75/803140475.db2.gz IJSFIDKJSFVXPG-LICLKQGHSA-N -1 3 271.316 3.317 20 30 CGEDHM COC(=O)c1c(F)cccc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001244347086 803319824 /nfs/dbraw/zinc/31/98/24/803319824.db2.gz XGNUGNGJZQDLKJ-VCHYOVAHSA-N -1 3 287.290 3.478 20 30 CGEDHM [O-]/N=C/c1cccc(-c2cc(Cl)cc(CO)c2)c1 ZINC001245091974 803641484 /nfs/dbraw/zinc/64/14/84/803641484.db2.gz SZFKPWKJHQMOAE-LZYBPNLTSA-N -1 3 261.708 3.307 20 30 CGEDHM N#Cc1cc2c(ccn2-c2ccc([O-])c(F)c2F)c(N)c1 ZINC001212011115 814966841 /nfs/dbraw/zinc/96/68/41/814966841.db2.gz SNRNQEOCFWHSPH-UHFFFAOYSA-N -1 3 285.253 3.068 20 30 CGEDHM N#Cc1ccc2c(c1)CCN(Cc1c([O-])cccc1Cl)C2 ZINC001140338020 804418033 /nfs/dbraw/zinc/41/80/33/804418033.db2.gz RHNDUXYYCISQIN-UHFFFAOYSA-N -1 3 298.773 3.476 20 30 CGEDHM N#Cc1cccc(F)c1Nc1cc(F)cc(F)c1[O-] ZINC001212486113 815037699 /nfs/dbraw/zinc/03/76/99/815037699.db2.gz MXTIXQWCCXBWII-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM C=CCOc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001148463593 805183431 /nfs/dbraw/zinc/18/34/31/805183431.db2.gz HHMQZRASJFXUMK-UHFFFAOYSA-N -1 3 294.310 3.081 20 30 CGEDHM Cn1cc(-c2ccc(Nc3cc(C#N)ccc3[O-])cc2)cn1 ZINC001174380735 808984709 /nfs/dbraw/zinc/98/47/09/808984709.db2.gz WWCIVFVCMCOOOG-UHFFFAOYSA-N -1 3 290.326 3.408 20 30 CGEDHM COc1cc(F)c(Nc2cc(C#N)ccc2[O-])cc1F ZINC001174927102 809203779 /nfs/dbraw/zinc/20/37/79/809203779.db2.gz HTZVFHXARUSVJN-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM CSc1ccc(Nc2cc(C#N)ccc2[O-])cn1 ZINC001175656188 809492166 /nfs/dbraw/zinc/49/21/66/809492166.db2.gz ZUJDICAABTURFL-UHFFFAOYSA-N -1 3 257.318 3.124 20 30 CGEDHM Cc1n[nH]c2cc(Nc3cc(C#N)ccc3[O-])ccc12 ZINC001175662498 809496681 /nfs/dbraw/zinc/49/66/81/809496681.db2.gz PAOQJZAHWOZCEP-UHFFFAOYSA-N -1 3 264.288 3.192 20 30 CGEDHM Cc1ccc(Nc2c([O-])cccc2C#N)cc1[N+](=O)[O-] ZINC001213669969 815321570 /nfs/dbraw/zinc/32/15/70/815321570.db2.gz AQQPKHWROWIISC-UHFFFAOYSA-N -1 3 269.260 3.224 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc(C2CC2)n(CC)n1 ZINC001184314563 810190781 /nfs/dbraw/zinc/19/07/81/810190781.db2.gz AIZDEKZDAMMODZ-UHFFFAOYSA-N -1 3 279.384 3.192 20 30 CGEDHM C[C@@H]1CCC[C@@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC001184347719 810194993 /nfs/dbraw/zinc/19/49/93/810194993.db2.gz BBKRORRJMWFQAF-DGCLKSJQSA-N -1 3 265.328 3.370 20 30 CGEDHM Cc1ccc(Cl)c(NC(=O)[N-]c2oncc2C#N)c1 ZINC001191673446 810730605 /nfs/dbraw/zinc/73/06/05/810730605.db2.gz XODFFZDUCBZATJ-UHFFFAOYSA-N -1 3 276.683 3.152 20 30 CGEDHM CCc1ccc(NC(=O)c2ccc(C#N)cc2OC)c([O-])c1 ZINC001192263912 810782675 /nfs/dbraw/zinc/78/26/75/810782675.db2.gz RNJGJOASWKZXGE-UHFFFAOYSA-N -1 3 296.326 3.087 20 30 CGEDHM CCCCCCC[C@H](C)NC(=O)Nc1cnc[n-]c1=O ZINC001192921073 810828860 /nfs/dbraw/zinc/82/88/60/810828860.db2.gz KBWCDFJMKMRIET-NSHDSACASA-N -1 3 280.372 3.053 20 30 CGEDHM CCCCCCCOC(=O)Nc1cnc(C)[n-]c1=O ZINC001193993974 810997434 /nfs/dbraw/zinc/99/74/34/810997434.db2.gz RZVVUDUJDPDSEJ-UHFFFAOYSA-N -1 3 267.329 3.010 20 30 CGEDHM C=CCOC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001194319187 811051119 /nfs/dbraw/zinc/05/11/19/811051119.db2.gz NGJFQUJITRQPNL-UHFFFAOYSA-N -1 3 261.199 3.146 20 30 CGEDHM COc1ccc(NC(=S)Nc2cccc(C#N)c2)c([O-])c1 ZINC001197714749 811448327 /nfs/dbraw/zinc/44/83/27/811448327.db2.gz KTEDTYGCDWETQQ-UHFFFAOYSA-N -1 3 299.355 3.081 20 30 CGEDHM N#CCc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224738 811800253 /nfs/dbraw/zinc/80/02/53/811800253.db2.gz SJNDOSNUWYBCIZ-UHFFFAOYSA-N -1 3 269.260 3.110 20 30 CGEDHM N#Cc1ccc(Cl)nc1Nc1cc(F)c([O-])cc1F ZINC001215571811 815537495 /nfs/dbraw/zinc/53/74/95/815537495.db2.gz HMAQQLPLOYZROB-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM Cc1ccc(F)c(Nc2c(C#N)cccc2C#N)c1[O-] ZINC001215739477 815571303 /nfs/dbraw/zinc/57/13/03/815571303.db2.gz QDLFOPZFCBFKTJ-UHFFFAOYSA-N -1 3 267.263 3.327 20 30 CGEDHM COc1cc(C#N)cc(Nc2c(F)ccc(C)c2[O-])c1 ZINC001215741955 815572221 /nfs/dbraw/zinc/57/22/21/815572221.db2.gz FBYFMWPPQDSHAU-UHFFFAOYSA-N -1 3 272.279 3.464 20 30 CGEDHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c(C#N)c1 ZINC001242594987 823051538 /nfs/dbraw/zinc/05/15/38/823051538.db2.gz KYADJNJZIGUZDT-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c(C#N)c1 ZINC001242594987 823051543 /nfs/dbraw/zinc/05/15/43/823051543.db2.gz KYADJNJZIGUZDT-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM COc1cc(C#N)ccc1[N-]c1nnc(C(C)(C)C)s1 ZINC001209235030 813977896 /nfs/dbraw/zinc/97/78/96/813977896.db2.gz TUMWYKDUUSQYJO-UHFFFAOYSA-N -1 3 288.376 3.459 20 30 CGEDHM N#Cc1c(F)ccc(F)c1Nc1ccc(F)cc1[O-] ZINC001210020567 814248494 /nfs/dbraw/zinc/24/84/94/814248494.db2.gz QWGPRHSLZXGESR-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1ncccc1Nc1cc([O-])ccc1Br ZINC001210144312 814308663 /nfs/dbraw/zinc/30/86/63/814308663.db2.gz MTELXLIGGRIMBD-UHFFFAOYSA-N -1 3 290.120 3.165 20 30 CGEDHM N#Cc1ncccc1Nc1cccc(C(F)(F)F)c1[O-] ZINC001210147808 814310298 /nfs/dbraw/zinc/31/02/98/814310298.db2.gz DGYJUVZHQFEFGN-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM N#Cc1cc(Nc2cc(F)ccc2C#N)ccc1[O-] ZINC001210529492 814510829 /nfs/dbraw/zinc/51/08/29/814510829.db2.gz QKGPLYKHSXVPML-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM N#Cc1ccccc1Nc1ncc(Br)cc1[O-] ZINC001210734699 814601968 /nfs/dbraw/zinc/60/19/68/814601968.db2.gz MWCMCNBKNSHLPP-UHFFFAOYSA-N -1 3 290.120 3.165 20 30 CGEDHM COc1nc(-c2cc([O-])cc(C(F)(F)F)c2)ccc1C#N ZINC001242780060 823130927 /nfs/dbraw/zinc/13/09/27/823130927.db2.gz GOELICHMTBKQRM-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM Cc1nc(C#N)c(Nc2cc([O-])cc(C(F)(F)F)c2)o1 ZINC001210822557 814644898 /nfs/dbraw/zinc/64/48/98/814644898.db2.gz KCXZKFXZAIJRGB-UHFFFAOYSA-N -1 3 283.209 3.323 20 30 CGEDHM Cc1nc(Nc2c([O-])cccc2Cl)c(C#N)cc1C#N ZINC001215983415 815651118 /nfs/dbraw/zinc/65/11/18/815651118.db2.gz XPQRMZLMASIKHI-UHFFFAOYSA-N -1 3 284.706 3.236 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001222672990 816496147 /nfs/dbraw/zinc/49/61/47/816496147.db2.gz WIESXKRRCLUMMW-UHFFFAOYSA-N -1 3 293.305 3.161 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001222672990 816496153 /nfs/dbraw/zinc/49/61/53/816496153.db2.gz WIESXKRRCLUMMW-UHFFFAOYSA-N -1 3 293.305 3.161 20 30 CGEDHM N#C[C@H](Oc1ccc2c([O-])coc2c1)c1ccccc1F ZINC001225340315 817017500 /nfs/dbraw/zinc/01/75/00/817017500.db2.gz IABXBTQIVLMCJN-INIZCTEOSA-N -1 3 283.258 3.044 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccc(F)cc2)[n-]1 ZINC001225466284 817061505 /nfs/dbraw/zinc/06/15/05/817061505.db2.gz BHLNKKZJWYETFS-SNVBAGLBSA-N -1 3 272.279 3.246 20 30 CGEDHM CC[C@@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1 ZINC001225466296 817061641 /nfs/dbraw/zinc/06/16/41/817061641.db2.gz BOYGRVJHKXIZSU-OAHLLOKOSA-N -1 3 268.316 3.497 20 30 CGEDHM COc1cccc([C@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c1 ZINC001225468639 817061993 /nfs/dbraw/zinc/06/19/93/817061993.db2.gz BYOINZLKDKQTNJ-NSHDSACASA-N -1 3 284.315 3.116 20 30 CGEDHM C#C[C@@H](CCCCC)Oc1[n-]c(=S)ncc1C ZINC001225741799 817164276 /nfs/dbraw/zinc/16/42/76/817164276.db2.gz COURZUMZWGVVFP-NSHDSACASA-N -1 3 250.367 3.035 20 30 CGEDHM C#C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1 ZINC001226119828 817278633 /nfs/dbraw/zinc/27/86/33/817278633.db2.gz OWMUNAKTKLHJOX-AWEZNQCLSA-N -1 3 282.368 3.396 20 30 CGEDHM C=C[C@H](CCC)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120851 817279507 /nfs/dbraw/zinc/27/95/07/817279507.db2.gz VARMQJVISSOBAI-SNVBAGLBSA-N -1 3 250.367 3.376 20 30 CGEDHM C#C[C@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1 ZINC001226297106 817321951 /nfs/dbraw/zinc/32/19/51/817321951.db2.gz HRBWXTHMHDFJDH-AWEZNQCLSA-N -1 3 282.368 3.007 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@H](C)CC(C)(C)S)c1O ZINC001226484341 817371320 /nfs/dbraw/zinc/37/13/20/817371320.db2.gz CMOXWPXRKVNWOE-MRVPVSSYSA-N -1 3 284.377 3.166 20 30 CGEDHM C=C[C@@H](C#CC(C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600268 817409900 /nfs/dbraw/zinc/40/99/00/817409900.db2.gz VYKWHZPDBHONEW-ZDUSSCGKSA-N -1 3 298.338 3.482 20 30 CGEDHM Cc1cc(O[C@@H](CC#N)c2ccccc2)[n-]c(=S)n1 ZINC001226797310 817468589 /nfs/dbraw/zinc/46/85/89/817468589.db2.gz APOGIDGEGSLRIT-LBPRGKRZSA-N -1 3 271.345 3.108 20 30 CGEDHM C[Si](C)(C)C#C[C@@H](Oc1ccc(=O)[n-]n1)c1ccccc1 ZINC001227095752 817556395 /nfs/dbraw/zinc/55/63/95/817556395.db2.gz UYVHFTRPSGUCAJ-CQSZACIVSA-N -1 3 298.418 3.183 20 30 CGEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001227348649 817629755 /nfs/dbraw/zinc/62/97/55/817629755.db2.gz AVMVIXGQRFXLRV-SNVBAGLBSA-N -1 3 284.271 3.312 20 30 CGEDHM CC#CC[C@@H](CC)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227585344 817676399 /nfs/dbraw/zinc/67/63/99/817676399.db2.gz YQXPUTATCZJIJF-SNVBAGLBSA-N -1 3 273.254 3.377 20 30 CGEDHM C#C[C@H](CCCC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746800 817711076 /nfs/dbraw/zinc/71/10/76/817711076.db2.gz UXOHWKNUURLZBK-LLVKDONJSA-N -1 3 273.292 3.042 20 30 CGEDHM C#C[C@H](CCCC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746800 817711077 /nfs/dbraw/zinc/71/10/77/817711077.db2.gz UXOHWKNUURLZBK-LLVKDONJSA-N -1 3 273.292 3.042 20 30 CGEDHM C#C[C@@H](CC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228153571 817826260 /nfs/dbraw/zinc/82/62/60/817826260.db2.gz GRYZGNKCCORSSK-HNNXBMFYSA-N -1 3 280.323 3.414 20 30 CGEDHM C=CC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228672011 817968324 /nfs/dbraw/zinc/96/83/24/817968324.db2.gz NOSYVLAODRECLY-SECBINFHSA-N -1 3 261.281 3.123 20 30 CGEDHM C#C[C@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231522644 818120622 /nfs/dbraw/zinc/12/06/22/818120622.db2.gz JKPCQLVBBLPMJW-NSHDSACASA-N -1 3 283.293 3.256 20 30 CGEDHM C=CCCCCN(C)Cc1ccc(F)c([O-])c1F ZINC001232936776 818477033 /nfs/dbraw/zinc/47/70/33/818477033.db2.gz GHSOZEOWSDJODP-UHFFFAOYSA-N -1 3 255.308 3.459 20 30 CGEDHM N#C[C@H](Oc1cccc([O-])c1F)c1ccccc1F ZINC001233869832 818720502 /nfs/dbraw/zinc/72/05/02/818720502.db2.gz LDJUEVQPLQKFDT-ZDUSSCGKSA-N -1 3 261.227 3.314 20 30 CGEDHM C[C@@H](COc1cc([O-])cc(C#N)c1)Oc1ccccc1 ZINC001234143178 818790766 /nfs/dbraw/zinc/79/07/66/818790766.db2.gz AHBLICLGARZJHA-LBPRGKRZSA-N -1 3 269.300 3.110 20 30 CGEDHM CC1(C)CC(Oc2cc([O-])cc(C#N)c2)CC(C)(C)N1O ZINC001234142626 818790910 /nfs/dbraw/zinc/79/09/10/818790910.db2.gz WXLWDPPRHSNLCD-UHFFFAOYSA-N -1 3 290.363 3.053 20 30 CGEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1cccc([O-])c1C(N)=O ZINC001234149371 818792197 /nfs/dbraw/zinc/79/21/97/818792197.db2.gz ODCLBXHRINVHSA-HUBLWGQQSA-N -1 3 289.375 3.251 20 30 CGEDHM C#C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234445844 818857458 /nfs/dbraw/zinc/85/74/58/818857458.db2.gz CLVJFSVNXHAYIO-AWEZNQCLSA-N -1 3 264.284 3.022 20 30 CGEDHM C=C[C@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792246 818924297 /nfs/dbraw/zinc/92/42/97/818924297.db2.gz XTJAWGGKFBJHFS-LLVKDONJSA-N -1 3 264.321 3.255 20 30 CGEDHM C#C[C@@H](CCC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791887 818924521 /nfs/dbraw/zinc/92/45/21/818924521.db2.gz SDDHFINRSZQLGF-LBPRGKRZSA-N -1 3 276.332 3.093 20 30 CGEDHM N#C[C@H](Oc1nc2ccsc2[n-]1)c1ccccc1F ZINC001234853048 818934727 /nfs/dbraw/zinc/93/47/27/818934727.db2.gz BFNUYZKLJXAQFI-NSHDSACASA-N -1 3 273.292 3.407 20 30 CGEDHM C=CC[C@@H](Oc1nc(=O)[n-]c2c1SCCC2)C(C)C ZINC001234923944 818951528 /nfs/dbraw/zinc/95/15/28/818951528.db2.gz SDOZXLMLLUBEFD-LLVKDONJSA-N -1 3 280.393 3.200 20 30 CGEDHM COc1ccc(-c2cc([O-])cc(Cl)c2)nc1CC#N ZINC001235900531 819211020 /nfs/dbraw/zinc/21/10/20/819211020.db2.gz PELYTUMAYHVQTK-UHFFFAOYSA-N -1 3 274.707 3.182 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccnn2Cc2ccccc2)c1 ZINC001236050382 819287807 /nfs/dbraw/zinc/28/78/07/819287807.db2.gz PZEVWXWDADLPCQ-XDHOZWIPSA-N -1 3 277.327 3.407 20 30 CGEDHM COc1cc(-c2cc([O-])cc(F)c2)ccc1CC#N ZINC001241271360 821690195 /nfs/dbraw/zinc/69/01/95/821690195.db2.gz DSMKKGROIFNJSL-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM COc1ccc(CC#N)cc1-c1cc([O-])cc(F)c1 ZINC001241272716 821691174 /nfs/dbraw/zinc/69/11/74/821691174.db2.gz XQSJYSACQHMZDD-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM CCOC(=O)c1cc(-c2cc([O-])cc(F)c2)ccc1C#N ZINC001241278231 821696929 /nfs/dbraw/zinc/69/69/29/821696929.db2.gz YEUDUNJWWFVACA-UHFFFAOYSA-N -1 3 285.274 3.247 20 30 CGEDHM C[C@@H](O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001242552984 823029820 /nfs/dbraw/zinc/02/98/20/823029820.db2.gz ATUZYRGFCCFGGQ-IYPWXLATSA-N -1 3 259.280 3.354 20 30 CGEDHM Cc1cc(-c2ccc([O-])c(C#N)c2)ccc1N1CCOCC1 ZINC001242564988 823035408 /nfs/dbraw/zinc/03/54/08/823035408.db2.gz FSHLLJNFLMTRCT-UHFFFAOYSA-N -1 3 294.354 3.076 20 30 CGEDHM COC(=O)C1(c2ccc(-c3ccc([O-])c(C#N)c3)cc2)CC1 ZINC001242565586 823036279 /nfs/dbraw/zinc/03/62/79/823036279.db2.gz LIXIOAVFCVXKTD-UHFFFAOYSA-N -1 3 293.322 3.135 20 30 CGEDHM CCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1CC ZINC001342579335 936470706 /nfs/dbraw/zinc/47/07/06/936470706.db2.gz DTHVBEIYXVEKSU-HNNXBMFYSA-N -1 3 279.343 3.091 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc(C#N)cs1 ZINC001458012245 937448242 /nfs/dbraw/zinc/44/82/42/937448242.db2.gz TYXOPZADGLQFLM-UHFFFAOYSA-N -1 3 252.339 3.031 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001458021562 937449312 /nfs/dbraw/zinc/44/93/12/937449312.db2.gz GYANWQIYLZYJGY-PWSUYJOCSA-N -1 3 269.291 3.086 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC001161833035 931986887 /nfs/dbraw/zinc/98/68/87/931986887.db2.gz XZEXXKGXNYZDIL-CQSZACIVSA-N -1 3 277.364 3.133 20 30 CGEDHM C#C[C@@H](CCCC)Oc1ncc(Br)cc1[O-] ZINC001228957301 932059652 /nfs/dbraw/zinc/05/96/52/932059652.db2.gz UKTWDLGGTHRODA-JTQLQIEISA-N -1 3 284.153 3.121 20 30 CGEDHM C#C[C@@H](Oc1ccccc1-c1nnn[n-]1)[C@@H](CC)CCCC ZINC001229954471 932510083 /nfs/dbraw/zinc/51/00/83/932510083.db2.gz LGNWPVQOAVDAHZ-DZGCQCFKSA-N -1 3 298.390 3.464 20 30 CGEDHM C#C[C@@H](Oc1ccccc1-c1nn[n-]n1)[C@@H](CC)CCCC ZINC001229954471 932510087 /nfs/dbraw/zinc/51/00/87/932510087.db2.gz LGNWPVQOAVDAHZ-DZGCQCFKSA-N -1 3 298.390 3.464 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc2ccccc2oc1=O ZINC001306897032 932762922 /nfs/dbraw/zinc/76/29/22/932762922.db2.gz WTAMPZQJKCGMIK-UHFFFAOYSA-N -1 3 289.331 3.205 20 30 CGEDHM O=C(c1ccccc1)N([O-])Cc1ccccc1Cl ZINC001306894165 932762991 /nfs/dbraw/zinc/76/29/91/932762991.db2.gz HRFNQDXZMFJSJX-UHFFFAOYSA-N -1 3 261.708 3.372 20 30 CGEDHM C=CCCCCCCNC(=O)NCc1c([O-])cccc1F ZINC001312664308 933380556 /nfs/dbraw/zinc/38/05/56/933380556.db2.gz KJMZWIQGMJVOHY-UHFFFAOYSA-N -1 3 294.370 3.467 20 30 CGEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc(C)c1C#N ZINC001472621931 937778289 /nfs/dbraw/zinc/77/82/89/937778289.db2.gz CYIDAXHIISWAOD-UHFFFAOYSA-N -1 3 298.317 3.346 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC001472620939 937777869 /nfs/dbraw/zinc/77/78/69/937777869.db2.gz ZGMVWWVEDWIDGV-MNOVXSKESA-N -1 3 269.291 3.086 20 30 CGEDHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N([O-])Cc1ccccc1Cl ZINC001559033700 938219080 /nfs/dbraw/zinc/21/90/80/938219080.db2.gz SXGLGHNEFOWTHL-IMRBUKKESA-N -1 3 279.767 3.494 20 30 CGEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)co1 ZINC001559033241 938219139 /nfs/dbraw/zinc/21/91/39/938219139.db2.gz BBWJHAHKOSJZQR-UHFFFAOYSA-N -1 3 265.696 3.273 20 30 CGEDHM CCCCCCN([O-])C(=O)/C(=C/c1ccccc1)OC ZINC001559034813 938219263 /nfs/dbraw/zinc/21/92/63/938219263.db2.gz QEDNPMIFZHUEMT-SQFISAMPSA-N -1 3 277.364 3.472 20 30 CGEDHM C=C[C@@H]1CCCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001588719364 963304415 /nfs/dbraw/zinc/30/44/15/963304415.db2.gz PYKQZEWTEQVBAG-CYBMUJFWSA-N -1 3 263.312 3.064 20 30 CGEDHM C=CC[C@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1Cl ZINC001588729908 963311006 /nfs/dbraw/zinc/31/10/06/963311006.db2.gz WFGHACKUCNNZIF-LLVKDONJSA-N -1 3 288.174 3.455 20 30 CGEDHM C=CCCCN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588801441 963323192 /nfs/dbraw/zinc/32/31/92/963323192.db2.gz LXVIPJHRPCOJGG-LLVKDONJSA-N -1 3 280.393 3.253 20 30 CGEDHM CCc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1[O-] ZINC000589839132 346814402 /nfs/dbraw/zinc/81/44/02/346814402.db2.gz DKWNPZSCHMHVHA-LBPRGKRZSA-N -1 3 294.354 3.317 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000075505177 345510494 /nfs/dbraw/zinc/51/04/94/345510494.db2.gz RLTNBYZQCNPLPE-GFCCVEGCSA-N -1 3 280.327 3.063 20 30 CGEDHM N#CCCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000594326091 347169886 /nfs/dbraw/zinc/16/98/86/347169886.db2.gz QESGNDVHUDHVRF-UHFFFAOYSA-N -1 3 252.701 3.068 20 30 CGEDHM C[C@H](C#N)CN(Cc1cc([O-])ccc1Cl)C1CC1 ZINC000599336537 347736824 /nfs/dbraw/zinc/73/68/24/347736824.db2.gz PELPUFGKMDXUMR-SNVBAGLBSA-N -1 3 264.756 3.170 20 30 CGEDHM N#CC[C@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000599470593 347747621 /nfs/dbraw/zinc/74/76/21/347747621.db2.gz UBMZUFUHYLTHGM-LLVKDONJSA-N -1 3 264.756 3.171 20 30 CGEDHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@H]1CCC[C@H]1C#N ZINC000601807855 347914280 /nfs/dbraw/zinc/91/42/80/347914280.db2.gz AHOCLQJYCXIGSL-HOCLYGCPSA-N -1 3 298.386 3.035 20 30 CGEDHM Cc1conc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000602351583 347950472 /nfs/dbraw/zinc/95/04/72/347950472.db2.gz WUAYRYCABGODTL-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000617781895 349010715 /nfs/dbraw/zinc/01/07/15/349010715.db2.gz VJUPCYVMRWWCJS-ZDUSSCGKSA-N -1 3 259.349 3.129 20 30 CGEDHM C=CC[C@@H]1CCCN(C(=O)c2cccc(CC)c2[O-])C1 ZINC000617781669 349010871 /nfs/dbraw/zinc/01/08/71/349010871.db2.gz RMYRIHOENPUNOF-CYBMUJFWSA-N -1 3 273.376 3.383 20 30 CGEDHM N#Cc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000352021692 219292337 /nfs/dbraw/zinc/29/23/37/219292337.db2.gz QXRGYGJIEFPSJX-YVMONPNESA-N -1 3 263.300 3.102 20 30 CGEDHM CCn1c(S[C@@H](C#N)c2ccc(Cl)cc2)n[n-]c1=O ZINC000619863930 349287734 /nfs/dbraw/zinc/28/77/34/349287734.db2.gz WLCBJQPRYTWEKX-JTQLQIEISA-N -1 3 294.767 3.014 20 30 CGEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1[O-] ZINC000336353941 213203209 /nfs/dbraw/zinc/20/32/09/213203209.db2.gz CXFSXBUGGUGYGV-GFCCVEGCSA-N -1 3 280.327 3.063 20 30 CGEDHM Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c([O-])c1 ZINC000336353690 213202938 /nfs/dbraw/zinc/20/29/38/213202938.db2.gz HNDVLMPDWRMCSW-UHFFFAOYSA-N -1 3 292.338 3.243 20 30 CGEDHM N#Cc1ccsc1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000104481227 138350174 /nfs/dbraw/zinc/35/01/74/138350174.db2.gz AFEXFEVZYYSVIP-UHFFFAOYSA-N -1 3 282.246 3.289 20 30 CGEDHM N#Cc1csc(/C=C/c2ccc3cccc([O-])c3n2)n1 ZINC000436943187 237218366 /nfs/dbraw/zinc/21/83/66/237218366.db2.gz KXLOVFNXYROHEZ-VOTSOKGWSA-N -1 3 279.324 3.439 20 30 CGEDHM COc1ccc(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000046440475 369293836 /nfs/dbraw/zinc/29/38/36/369293836.db2.gz WNCWTWZMIUEZEV-LBPRGKRZSA-N -1 3 286.718 3.234 20 30 CGEDHM COc1ccccc1N1CC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000129386761 370984927 /nfs/dbraw/zinc/98/49/27/370984927.db2.gz FMWVPLYJMMLLEW-UZUMKDMXSA-N -1 3 296.370 3.099 20 30 CGEDHM N#Cc1ccc(SCc2cc(=O)c([O-])co2)c(Cl)c1 ZINC000154177994 371824303 /nfs/dbraw/zinc/82/43/03/371824303.db2.gz KZZQNPHIMIYBGL-UHFFFAOYSA-N -1 3 293.731 3.163 20 30 CGEDHM C=CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429915035 372381901 /nfs/dbraw/zinc/38/19/01/372381901.db2.gz XBTKJRBFTBDRJB-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM CCn1nc(C)c(/C=C2\Cc3c(cccc3[O-])C2=O)c1C ZINC000171045604 372704218 /nfs/dbraw/zinc/70/42/18/372704218.db2.gz TWHPWCZPSYDCJO-XYOKQWHBSA-N -1 3 282.343 3.048 20 30 CGEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000436826242 372841376 /nfs/dbraw/zinc/84/13/76/372841376.db2.gz JOXIAOLCYIVLOB-UHFFFAOYSA-N -1 3 297.354 3.316 20 30 CGEDHM C=CCC(C)(C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000449808942 373932797 /nfs/dbraw/zinc/93/27/97/373932797.db2.gz DIGODXBHKAPVDA-UHFFFAOYSA-N -1 3 269.348 3.039 20 30 CGEDHM CCN(C(=O)c1cccc([O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000182192532 374233396 /nfs/dbraw/zinc/23/33/96/374233396.db2.gz CUKAAVWBSWITAQ-CYBMUJFWSA-N -1 3 294.354 3.487 20 30 CGEDHM C=C(C)CCNCc1cccc([O-])c1Br ZINC000315532863 374328462 /nfs/dbraw/zinc/32/84/62/374328462.db2.gz GMTWJKZQEZNVRP-UHFFFAOYSA-N -1 3 270.170 3.211 20 30 CGEDHM C=CC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468775962 374984321 /nfs/dbraw/zinc/98/43/21/374984321.db2.gz BEZUQTAIVSOSHM-UHFFFAOYSA-N -1 3 291.366 3.279 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1ccc([O-])c(CC)c1 ZINC000487494466 375244478 /nfs/dbraw/zinc/24/44/78/375244478.db2.gz VHPJSJWPHXOSCA-AWEZNQCLSA-N -1 3 259.349 3.135 20 30 CGEDHM C=CC[C@@H](CC)NC(=O)Cc1ccc([O-])cc1Cl ZINC000337101387 376080547 /nfs/dbraw/zinc/08/05/47/376080547.db2.gz WCUXQWDSIDXAAB-LLVKDONJSA-N -1 3 267.756 3.059 20 30 CGEDHM C=CCN(Cc1ccccc1F)[C@@H](CC(C)C)C(=O)[O-] ZINC000570933806 377539624 /nfs/dbraw/zinc/53/96/24/377539624.db2.gz NPSHAAXXYQCMBW-HNNXBMFYSA-N -1 3 279.355 3.313 20 30 CGEDHM Cc1ccccc1S[C@H](C(=O)N[O-])c1ccccc1 ZINC000167129606 542176373 /nfs/dbraw/zinc/17/63/73/542176373.db2.gz NLPGAKCPAWWFAP-AWEZNQCLSA-N -1 3 273.357 3.334 20 30 CGEDHM C=CCCC[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000343536208 378011114 /nfs/dbraw/zinc/01/11/14/378011114.db2.gz ZHABLOOKFLEBTH-LBPRGKRZSA-N -1 3 284.359 3.003 20 30 CGEDHM N#CC1(c2nc(-c3ccc([O-])cc3)no2)CCCCC1 ZINC000267060780 378030529 /nfs/dbraw/zinc/03/05/29/378030529.db2.gz GSDGGLGBFQDYIZ-UHFFFAOYSA-N -1 3 269.304 3.168 20 30 CGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)[C@@H](C)c2ccccc2)c1[O-] ZINC000267100901 378031876 /nfs/dbraw/zinc/03/18/76/378031876.db2.gz UCFWLARNFMGWLX-HVHIRKTFSA-N -1 3 298.386 3.199 20 30 CGEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(C)cc1[O-] ZINC000271258213 378486212 /nfs/dbraw/zinc/48/62/12/378486212.db2.gz KGMONTGYFPZORK-UHFFFAOYSA-N -1 3 288.391 3.493 20 30 CGEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000279765272 379509606 /nfs/dbraw/zinc/50/96/06/379509606.db2.gz FHZIJLIUQDQCCD-BXUZGUMPSA-N -1 3 295.766 3.274 20 30 CGEDHM CCc1c(C)sc([N-]C(=O)c2nc(C)oc2C)c1C#N ZINC000334813147 207120867 /nfs/dbraw/zinc/12/08/67/207120867.db2.gz ZYRYYROWOWKMKZ-UHFFFAOYSA-N -1 3 289.360 3.348 20 30 CGEDHM N#CC(=C([O-])c1cncc(F)c1)c1nccc2ccccc21 ZINC000361531151 381788879 /nfs/dbraw/zinc/78/88/79/381788879.db2.gz PDQORZKVEQYGQK-HNNXBMFYSA-N -1 3 291.285 3.259 20 30 CGEDHM N#CC(=C([O-])c1coc2cc(F)ccc21)c1ccccn1 ZINC000361661843 381862747 /nfs/dbraw/zinc/86/27/47/381862747.db2.gz HIMNCWZMLHEYEO-LBPRGKRZSA-N -1 3 280.258 3.457 20 30 CGEDHM CCCC=CC([O-])=C(C#N)c1nc2ccccc2o1 ZINC000735208234 572708870 /nfs/dbraw/zinc/70/88/70/572708870.db2.gz XSFUGRYAOPBHGY-LAUIRUGDSA-N -1 3 254.289 3.360 20 30 CGEDHM N#CC(=C([O-])c1cccs1)c1nc2ccccc2[nH]1 ZINC000005615266 170120164 /nfs/dbraw/zinc/12/01/64/170120164.db2.gz YISZDBBPLZKGNJ-VIFPVBQESA-N -1 3 267.313 3.114 20 30 CGEDHM C=CCN(CC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000076718830 177069367 /nfs/dbraw/zinc/06/93/67/177069367.db2.gz LDAWCGODHHGLRI-UHFFFAOYSA-N -1 3 274.147 3.066 20 30 CGEDHM O=C(C[C@H]1C=CCCC1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000330336205 228155420 /nfs/dbraw/zinc/15/54/20/228155420.db2.gz ZINJEOONTFIPNI-QMMMGPOBSA-N -1 3 288.273 3.026 20 30 CGEDHM O=C(C[C@H]1C=CCCC1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000330336205 228155421 /nfs/dbraw/zinc/15/54/21/228155421.db2.gz ZINJEOONTFIPNI-QMMMGPOBSA-N -1 3 288.273 3.026 20 30 CGEDHM O=C(C[C@H]1C=CCCC1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000330336205 228155422 /nfs/dbraw/zinc/15/54/22/228155422.db2.gz ZINJEOONTFIPNI-QMMMGPOBSA-N -1 3 288.273 3.026 20 30 CGEDHM C[C@H]1CN(c2ccc(/N=C/c3ccccc3[O-])cc2)CCO1 ZINC000078007376 260298946 /nfs/dbraw/zinc/29/89/46/260298946.db2.gz SSWJEVJOLVCXHZ-BXUJETTOSA-N -1 3 296.370 3.368 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/[C@H]1CCCOC1 ZINC000171647930 261476013 /nfs/dbraw/zinc/47/60/13/261476013.db2.gz RMOYMVKMFCUPCA-VZWMTCDZSA-N -1 3 255.317 3.143 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@]2(C)CCO[C@@H]2C)c([O-])c1 ZINC000331232168 264152727 /nfs/dbraw/zinc/15/27/27/264152727.db2.gz IVDXHGOCCFVHHI-BDJLRTHQSA-N -1 3 277.364 3.388 20 30 CGEDHM C=CC[C@H](C(=O)Nc1nc(C)ccc1[O-])c1ccccc1 ZINC000188625709 264238375 /nfs/dbraw/zinc/23/83/75/264238375.db2.gz LWHVAEYVNIFGHJ-AWEZNQCLSA-N -1 3 282.343 3.394 20 30 CGEDHM CCOc1cc(CNCC2(C#N)CCC2)cc(Cl)c1[O-] ZINC000418144480 267364894 /nfs/dbraw/zinc/36/48/94/267364894.db2.gz UETQSACCYOXQSS-UHFFFAOYSA-N -1 3 294.782 3.228 20 30 CGEDHM N#Cc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000195183654 268058898 /nfs/dbraw/zinc/05/88/98/268058898.db2.gz NPQVSBOZUQDVIZ-UHFFFAOYSA-N -1 3 286.718 3.098 20 30 CGEDHM C[C@H]1CCN(C(=O)c2ccc(C#N)s2)c2c([O-])cccc21 ZINC000336048411 279709414 /nfs/dbraw/zinc/70/94/14/279709414.db2.gz WFSWDGBKNQRART-JTQLQIEISA-N -1 3 298.367 3.479 20 30 CGEDHM Cc1cccc(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)c1[O-] ZINC000331238934 328478712 /nfs/dbraw/zinc/47/87/12/328478712.db2.gz NVLSAECVPSWNER-SWLSCSKDSA-N -1 3 277.364 3.066 20 30 CGEDHM CCO[C@@H]1C[C@@H](/N=C/c2ccccc2[O-])C12CCC2 ZINC000125186808 327390861 /nfs/dbraw/zinc/39/08/61/327390861.db2.gz OFDCLTCEOLEPFB-DSWHRGLISA-N -1 3 259.349 3.159 20 30 CGEDHM O=C1c2c(F)ccc(F)c2OC/C1=C/c1ccc([O-])cc1 ZINC000181472623 329233333 /nfs/dbraw/zinc/23/33/33/329233333.db2.gz MCEWZXMAVNPUJJ-YFHOEESVSA-N -1 3 288.249 3.329 20 30 CGEDHM Cc1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429571551 329904313 /nfs/dbraw/zinc/90/43/13/329904313.db2.gz RQYGWHUDOADTPI-ZDUSSCGKSA-N -1 3 290.326 3.065 20 30 CGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000116905387 330361341 /nfs/dbraw/zinc/36/13/41/330361341.db2.gz IDDAFGJSYOCAPE-MRVPVSSYSA-N -1 3 294.203 3.236 20 30 CGEDHM C=C[C@@](C)(CC)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000443551304 330801176 /nfs/dbraw/zinc/80/11/76/330801176.db2.gz RHZGNOPCFHFABI-INIZCTEOSA-N -1 3 269.348 3.039 20 30 CGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451366364 331026030 /nfs/dbraw/zinc/02/60/30/331026030.db2.gz IRWSOPZTQQXRPI-LLVKDONJSA-N -1 3 273.423 3.080 20 30 CGEDHM CC(C)(CC#N)CNCc1cccc([O-])c1Br ZINC000459732678 331296708 /nfs/dbraw/zinc/29/67/08/331296708.db2.gz OXTYDPUJMZQNBQ-UHFFFAOYSA-N -1 3 297.196 3.184 20 30 CGEDHM N#CC1(c2ccc(C(=O)Nc3ccccc3[O-])cc2)CC1 ZINC000180146888 335554309 /nfs/dbraw/zinc/55/43/09/335554309.db2.gz UFFAGFVKLUPSSC-UHFFFAOYSA-N -1 3 278.311 3.200 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000493460367 500581580 /nfs/dbraw/zinc/58/15/80/500581580.db2.gz SIOGENNEGOZWAN-DMEOUFDRSA-N -1 3 280.393 3.076 20 30 CGEDHM C=CCC[C@@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352517817 527424172 /nfs/dbraw/zinc/42/41/72/527424172.db2.gz SMZQRSCHBGIRHS-OAHLLOKOSA-N -1 3 296.370 3.153 20 30 CGEDHM CC1(C)CCCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329986681 528919475 /nfs/dbraw/zinc/91/94/75/528919475.db2.gz SBFAZVUABDTJMK-SECBINFHSA-N -1 3 254.355 3.122 20 30 CGEDHM CCOc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1C ZINC000727265265 571735005 /nfs/dbraw/zinc/73/50/05/571735005.db2.gz MOADULCPYUPRFQ-UHFFFAOYSA-N -1 3 287.315 3.261 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cccc3c2OCCO3)ccc1[O-] ZINC000728231269 571797376 /nfs/dbraw/zinc/79/73/76/571797376.db2.gz LCSSZNIZWUIJJG-VMPITWQZSA-N -1 3 296.322 3.368 20 30 CGEDHM C#Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nc1 ZINC000728959458 571850994 /nfs/dbraw/zinc/85/09/94/571850994.db2.gz FNTQBZHTQUZKEZ-UHFFFAOYSA-N -1 3 294.354 3.318 20 30 CGEDHM CC(=NNCc1ccc(F)c(F)c1)c1ccc([O-])cc1F ZINC000729933384 571937521 /nfs/dbraw/zinc/93/75/21/571937521.db2.gz ZTCHDCLCQMJERI-UHFFFAOYSA-N -1 3 294.276 3.323 20 30 CGEDHM CC1(c2ccccc2)CC(/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000729937503 571937918 /nfs/dbraw/zinc/93/79/18/571937918.db2.gz ULPAIPKCYHOPRQ-YBFXNURJSA-N -1 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C=CC[C@@H]1CC[C@H](N[C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC000901908204 621066112 /nfs/dbraw/zinc/06/61/12/621066112.db2.gz QNEUNKRETFCFFB-MXWKQRLJSA-N -1 3 280.393 3.237 20 30 CGEDHM C=CCCCCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903922237 621833335 /nfs/dbraw/zinc/83/33/35/621833335.db2.gz UUYMLPQZTFQLIC-UHFFFAOYSA-N -1 3 289.375 3.326 20 30 CGEDHM O=C([C@@H]1CCSC1)N([O-])Cc1cccc2ccccc21 ZINC000904170613 621883856 /nfs/dbraw/zinc/88/38/56/621883856.db2.gz DJGAIPVPIQQEHF-CQSZACIVSA-N -1 3 287.384 3.311 20 30 CGEDHM O=C(CC1CSC1)N([O-])Cc1cccc2ccccc21 ZINC000904172622 621884576 /nfs/dbraw/zinc/88/45/76/621884576.db2.gz HGGKMJKMNXRMBV-UHFFFAOYSA-N -1 3 287.384 3.311 20 30 CGEDHM CCC[C@@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904172806 621884596 /nfs/dbraw/zinc/88/45/96/621884596.db2.gz CLONNYZOQUMZOY-UKRRQHHQSA-N -1 3 295.354 3.139 20 30 CGEDHM CC(C)n1cccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173663 621884822 /nfs/dbraw/zinc/88/48/22/621884822.db2.gz NYXJXYBBFOIBQK-UHFFFAOYSA-N -1 3 276.311 3.240 20 30 CGEDHM O=C(N([O-])Cc1ccccc1Cl)C1(C(F)(F)F)CC1 ZINC000904188739 621886070 /nfs/dbraw/zinc/88/60/70/621886070.db2.gz MCLDAZFPUPPSOH-UHFFFAOYSA-N -1 3 293.672 3.400 20 30 CGEDHM CCCCN([O-])C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000904210429 621886186 /nfs/dbraw/zinc/88/61/86/621886186.db2.gz PRROWGFRLPMKHD-UHFFFAOYSA-N -1 3 294.376 3.272 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000904212334 621890917 /nfs/dbraw/zinc/89/09/17/621890917.db2.gz OPUAGDOVDLNSFP-WDEREUQCSA-N -1 3 253.367 3.178 20 30 CGEDHM CCCCNN=Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000915966050 624093680 /nfs/dbraw/zinc/09/36/80/624093680.db2.gz KRAUBLDJQWTNFY-UHFFFAOYSA-N -1 3 270.760 3.168 20 30 CGEDHM CCOc1cc(C=NNc2ccccn2)cc(Cl)c1[O-] ZINC000916273750 624135483 /nfs/dbraw/zinc/13/54/83/624135483.db2.gz RQEDAWWBEJANQY-UHFFFAOYSA-N -1 3 291.738 3.285 20 30 CGEDHM C[C@@H](COCC(F)(F)F)/N=C/c1cc(Cl)ccc1[O-] ZINC000921261386 624578290 /nfs/dbraw/zinc/57/82/90/624578290.db2.gz MXFPNASATGNXCM-VUMAHTSQSA-N -1 3 295.688 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3.175 20 30 CGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)CC2CCCCC2)c1[O-] ZINC000775234041 628073461 /nfs/dbraw/zinc/07/34/61/628073461.db2.gz PDDLWLCVPKYAOL-HIPMGEKLSA-N -1 3 290.407 3.366 20 30 CGEDHM CC(C)[C@@H](O)C1(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000775629416 628116199 /nfs/dbraw/zinc/11/61/99/628116199.db2.gz HFQXNNVPAGVLJA-CNGOAVBNSA-N -1 3 281.783 3.262 20 30 CGEDHM C=CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1Cl ZINC000874928146 634654182 /nfs/dbraw/zinc/65/41/82/634654182.db2.gz OYAPGNXMLMNGBV-XFFZJAGNSA-N -1 3 295.747 3.229 20 30 CGEDHM N#C[C@@H](OC(=O)c1cc2occc2[n-]1)C1CCCCC1 ZINC000786034479 628909645 /nfs/dbraw/zinc/90/96/45/628909645.db2.gz UDRXZFKUIYIGFL-CQSZACIVSA-N -1 3 272.304 3.390 20 30 CGEDHM [O-]c1cccc(Br)c1C=NNC1CCCC1 ZINC000863089834 629469669 /nfs/dbraw/zinc/46/96/69/629469669.db2.gz LPNMWVVTEBEPPL-UHFFFAOYSA-N -1 3 283.169 3.021 20 30 CGEDHM [O-]c1cccc(Br)c1C=NOC1CCC1 ZINC000863115025 629477147 /nfs/dbraw/zinc/47/71/47/629477147.db2.gz XSPSNFHLYUEDTD-UHFFFAOYSA-N -1 3 270.126 3.058 20 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C=CCO[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000837044219 634847128 /nfs/dbraw/zinc/84/71/28/634847128.db2.gz KJCBQZVUFLHXLJ-SNVBAGLBSA-N -1 3 287.281 3.433 20 30 CGEDHM [O-]c1cccc(C=NN=c2[nH]c3ccccc3[nH]2)c1Cl ZINC000814708979 631626992 /nfs/dbraw/zinc/62/69/92/631626992.db2.gz PLJKJZZUUZMQAQ-UHFFFAOYSA-N -1 3 286.722 3.368 20 30 CGEDHM [O-]c1cccc(C=NNc2nc3ccccc3[nH]2)c1Cl ZINC000814708979 631626996 /nfs/dbraw/zinc/62/69/96/631626996.db2.gz PLJKJZZUUZMQAQ-UHFFFAOYSA-N -1 3 286.722 3.368 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccc3oncc3c2)ccc1[O-] ZINC000821032059 632715348 /nfs/dbraw/zinc/71/53/48/632715348.db2.gz QIJOXQNCZQWHCI-GORDUTHDSA-N -1 3 295.294 3.438 20 30 CGEDHM C#C[C@@H]([N-]c1nc(C(C)(C)OC)ns1)c1ccccc1 ZINC000865900339 632943926 /nfs/dbraw/zinc/94/39/26/632943926.db2.gz XIWRXNDNYUFRKV-GFCCVEGCSA-N -1 3 287.388 3.206 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Cc1csc2sc(C)cc12 ZINC000869153619 633409466 /nfs/dbraw/zinc/40/94/66/633409466.db2.gz DIQMELUEDVJVAT-QMMMGPOBSA-N -1 3 281.402 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20 30 CGEDHM CC[C@H](N[C@H](C)c1nccn1CC)c1cccc(C#N)c1[O-] ZINC000822658631 800463296 /nfs/dbraw/zinc/46/32/96/800463296.db2.gz FWGLPROXVSBOCD-DOMZBBRYSA-N -1 3 298.390 3.282 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001164415233 806945831 /nfs/dbraw/zinc/94/58/31/806945831.db2.gz ZELULVYSGZZVTA-YUTCNCBUSA-N -1 3 259.349 3.049 20 30 CGEDHM C=CCC1(NC(=O)c2c[n-]c3ccccc3c2=O)CCCC1 ZINC001121131688 802806518 /nfs/dbraw/zinc/80/65/18/802806518.db2.gz UJIYYTVAKPFTPN-UHFFFAOYSA-N -1 3 296.370 3.147 20 30 CGEDHM COc1nc(-c2ccc([O-])cc2C(F)(F)F)ccc1C#N ZINC001205073263 812847955 /nfs/dbraw/zinc/84/79/55/812847955.db2.gz ICGADLPPFCCJMT-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM CN1CCOc2cc(-c3cc(/C=N/[O-])ccc3F)ccc21 ZINC001243943240 803092268 /nfs/dbraw/zinc/09/22/68/803092268.db2.gz XRGMJVJVEZXBJB-VCHYOVAHSA-N -1 3 286.306 3.129 20 30 CGEDHM CN1CCOc2cc(-c3ccc(/C=N/[O-])c(F)c3)ccc21 ZINC001243944977 803092826 /nfs/dbraw/zinc/09/28/26/803092826.db2.gz 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CGEDHM CC[C@H](C#Cc1ccccc1)Oc1cc(C#N)ccc1[O-] ZINC001227350071 817629985 /nfs/dbraw/zinc/62/99/85/817629985.db2.gz KULWRXPIHZOCBA-MRXNPFEDSA-N -1 3 277.323 3.473 20 30 CGEDHM C#C[C@H](CCC)Oc1c([O-])cc(Br)cc1F ZINC001227586617 817677642 /nfs/dbraw/zinc/67/76/42/817677642.db2.gz BXKYORUGMGJPEG-SECBINFHSA-N -1 3 287.128 3.475 20 30 CGEDHM C=C[C@H](CCCCC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612226 817681235 /nfs/dbraw/zinc/68/12/35/817681235.db2.gz AFOJFXRZFRTKRI-SECBINFHSA-N -1 3 278.381 3.155 20 30 CGEDHM C=CC[C@H](CCCC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227615954 817683614 /nfs/dbraw/zinc/68/36/14/817683614.db2.gz HUQTZNKMYUIHHI-SECBINFHSA-N -1 3 278.381 3.155 20 30 CGEDHM C=C[C@@H](CCCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689358 817973007 /nfs/dbraw/zinc/97/30/07/817973007.db2.gz SHZFDGXLKUTBEU-JTQLQIEISA-N -1 3 266.297 3.127 20 30 CGEDHM CC#C[C@H](CC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233507247 818630220 /nfs/dbraw/zinc/63/02/20/818630220.db2.gz WJCCMPIWOQQOTR-QMMMGPOBSA-N -1 3 293.710 3.305 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1ccccn1 ZINC001233803014 818708288 /nfs/dbraw/zinc/70/82/88/818708288.db2.gz KRHYYGVCWFYXOM-MUOOZZNISA-N -1 3 272.304 3.038 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCC[C@@H](C)C1 ZINC001233804276 818708576 /nfs/dbraw/zinc/70/85/76/818708576.db2.gz WDFTTYOMXIKOBB-HJCXSIFHSA-N -1 3 263.337 3.461 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCC(=O)CC1(C)C ZINC001233804322 818708871 /nfs/dbraw/zinc/70/88/71/818708871.db2.gz XAJRBZYQRHZBOH-ADFUCPMPSA-N -1 3 291.347 3.030 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H](C#N)c2ccccc2F)c1 ZINC001234144277 818790216 /nfs/dbraw/zinc/79/02/16/818790216.db2.gz MIIUGMZYUXERLK-HNNXBMFYSA-N -1 3 268.247 3.047 20 30 CGEDHM Cc1cnc(F)c([C@@H](C)Oc2cc([O-])cc(C#N)c2)c1 ZINC001234144997 818791329 /nfs/dbraw/zinc/79/13/29/818791329.db2.gz ZAKIHYNAZKILSA-SNVBAGLBSA-N -1 3 272.279 3.246 20 30 CGEDHM N#Cc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(F)c1 ZINC001236533099 819525120 /nfs/dbraw/zinc/52/51/20/819525120.db2.gz QLQOOAOGTQBSLK-MNDPQUGUSA-N -1 3 266.275 3.489 20 30 CGEDHM COc1ccc(C#N)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001236546771 819531891 /nfs/dbraw/zinc/53/18/91/819531891.db2.gz LLLRBJRNWBDAML-MNDPQUGUSA-N -1 3 278.311 3.358 20 30 CGEDHM N#CCOc1ccccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001243589289 823458377 /nfs/dbraw/zinc/45/83/77/823458377.db2.gz YKMDHSJDMGIPMI-MNDPQUGUSA-N -1 3 278.311 3.380 20 30 CGEDHM N#CCOc1ccc(-c2cccc(/C=N/[O-])c2)cc1 ZINC001243592173 823459952 /nfs/dbraw/zinc/45/99/52/823459952.db2.gz FHWWBELMLNVEJQ-GZTJUZNOSA-N -1 3 252.273 3.064 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccc3c(c2)CCO3)cc1F ZINC001239807270 820622395 /nfs/dbraw/zinc/62/23/95/820622395.db2.gz WZIHXWCPIQHCER-RQZCQDPDSA-N -1 3 257.264 3.236 20 30 CGEDHM O=C(c1cccc(-c2ccccc2C=N[O-])c1)N1CCCC1 ZINC001240062307 820808911 /nfs/dbraw/zinc/80/89/11/820808911.db2.gz ATGHOMBTNBQPSK-UHFFFAOYSA-N -1 3 294.354 3.398 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cnn([C@H]4CCCCO4)c3)ccc21 ZINC001240680889 821238934 /nfs/dbraw/zinc/23/89/34/821238934.db2.gz URYMKJQUSDLLPL-KAKMCVKYSA-N -1 3 297.358 3.374 20 30 CGEDHM Cc1ccc(-c2cc(C#N)ccc2C)cc1-c1nnn[n-]1 ZINC001242544625 823025919 /nfs/dbraw/zinc/02/59/19/823025919.db2.gz SAWYLQKEPZLJLQ-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1ccc(-c2cc(C#N)ccc2C)cc1-c1nn[n-]n1 ZINC001242544625 823025921 /nfs/dbraw/zinc/02/59/21/823025921.db2.gz SAWYLQKEPZLJLQ-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM N#Cc1cc(Cl)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001242570509 823038311 /nfs/dbraw/zinc/03/83/11/823038311.db2.gz NTUJNLOUCXGVDK-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM N#Cc1cc(Cl)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001242570509 823038317 /nfs/dbraw/zinc/03/83/17/823038317.db2.gz NTUJNLOUCXGVDK-UHFFFAOYSA-N -1 3 281.706 3.059 20 30 CGEDHM N#CC(=C([O-])c1cnn(C2CCCCC2)c1)c1ccccn1 ZINC001346028072 936834997 /nfs/dbraw/zinc/83/49/97/936834997.db2.gz VEJIYLCRDNSBJT-OAHLLOKOSA-N -1 3 294.358 3.273 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1ccc(C(F)F)o1 ZINC001349631714 936954938 /nfs/dbraw/zinc/95/49/38/936954938.db2.gz QCNZVXYEUVROPP-UHFFFAOYSA-N -1 3 268.244 3.403 20 30 CGEDHM C=CCCCN(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001473861648 937825568 /nfs/dbraw/zinc/82/55/68/937825568.db2.gz FYXWQEKXORCTMX-UHFFFAOYSA-N -1 3 264.325 3.089 20 30 CGEDHM C#Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001210116242 926707886 /nfs/dbraw/zinc/70/78/86/926707886.db2.gz JYHNEKDFZJVIGS-UHFFFAOYSA-N -1 3 275.311 3.303 20 30 CGEDHM N#Cc1cccc(O[N-]C(=O)c2cccc(Cl)c2F)c1 ZINC001454682247 937410693 /nfs/dbraw/zinc/41/06/93/937410693.db2.gz KYLLQELAXVFHFU-UHFFFAOYSA-N -1 3 290.681 3.075 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001458024616 937449344 /nfs/dbraw/zinc/44/93/44/937449344.db2.gz QNAGSFALLCZWCO-UWVGGRQHSA-N -1 3 287.281 3.225 20 30 CGEDHM N#Cc1ccc(F)cc1NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001458512685 937466646 /nfs/dbraw/zinc/46/66/46/937466646.db2.gz IAFPABVUQZEJDG-UHFFFAOYSA-N -1 3 298.321 3.073 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001161833029 931986191 /nfs/dbraw/zinc/98/61/91/931986191.db2.gz XWHWSZPDOSHHOO-ZDUSSCGKSA-N -1 3 253.317 3.337 20 30 CGEDHM CCCCN([O-])C(=O)CCc1c[nH]c2c1cccc2C ZINC001161832241 931987007 /nfs/dbraw/zinc/98/70/07/931987007.db2.gz LVBJFXAHGCBPAI-UHFFFAOYSA-N -1 3 274.364 3.427 20 30 CGEDHM C=CC[C@@H](C=C)Oc1nc(=S)[n-]c2sccc21 ZINC001229567825 932173184 /nfs/dbraw/zinc/17/31/84/932173184.db2.gz SXDKYCCSKZTALF-MRVPVSSYSA-N -1 3 264.375 3.490 20 30 CGEDHM C/C(=C\c1ccncc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898996 932893437 /nfs/dbraw/zinc/89/34/37/932893437.db2.gz UXAJICZVUOBPIU-ZRDIBKRKSA-N -1 3 286.306 3.042 20 30 CGEDHM C=C[C@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001466024331 937705940 /nfs/dbraw/zinc/70/59/40/937705940.db2.gz DJJLXQNITYTKKR-AWEZNQCLSA-N -1 3 295.382 3.482 20 30 CGEDHM CC1(C)C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC001472620343 937778473 /nfs/dbraw/zinc/77/84/73/937778473.db2.gz YEXBZNYSNJFWSM-NSHDSACASA-N -1 3 297.782 3.263 20 30 CGEDHM CCCCCCN([O-])C(=O)CO[C@@H]1CCCC[C@H]1C ZINC001472621544 937778543 /nfs/dbraw/zinc/77/85/43/937778543.db2.gz YREBKMGWOLPIFU-ZIAGYGMSSA-N -1 3 271.401 3.380 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001472620537 937778652 /nfs/dbraw/zinc/77/86/52/937778652.db2.gz GLUZTBCHNLYVIC-VHSXEESVSA-N -1 3 269.291 3.086 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccccc1F)c1cccc(F)n1 ZINC001516710595 938009425 /nfs/dbraw/zinc/00/94/25/938009425.db2.gz NOUKKYJXRFSTGE-JLVNDZCYSA-N -1 3 284.265 3.249 20 30 CGEDHM CCCCN([O-])C(=O)COc1c(C)cc(C)cc1C ZINC001559035175 938150666 /nfs/dbraw/zinc/15/06/66/938150666.db2.gz GCQZHORQMANDEO-UHFFFAOYSA-N -1 3 265.353 3.009 20 30 CGEDHM N#CCc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556081749 938201702 /nfs/dbraw/zinc/20/17/02/938201702.db2.gz KEYQPUAHHFZCSR-UHFFFAOYSA-N -1 3 286.718 3.364 20 30 CGEDHM C#C[C@](C)(CC)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001556664433 938205010 /nfs/dbraw/zinc/20/50/10/938205010.db2.gz OKIMIHWJDOMUME-QGZVFWFLSA-N -1 3 267.328 3.077 20 30 CGEDHM CCCCN([O-])C(=O)Cc1ccc(SCC)cc1 ZINC001559035393 938219170 /nfs/dbraw/zinc/21/91/70/938219170.db2.gz OPLUHAQBPGCAKG-UHFFFAOYSA-N -1 3 267.394 3.359 20 30 CGEDHM CC#Cc1cncc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001242939618 960416166 /nfs/dbraw/zinc/41/61/66/960416166.db2.gz SSNKMFITRCZMOT-UHFFFAOYSA-N -1 3 295.289 3.218 20 30 CGEDHM C[C@H](NCc1ccsc1C(=O)[O-])c1ccc(C#N)cc1 ZINC000235521558 960451175 /nfs/dbraw/zinc/45/11/75/960451175.db2.gz TVFKBLGYXRBAMO-JTQLQIEISA-N -1 3 286.356 3.169 20 30 CGEDHM CC[C@@H]1CCC[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001577150692 962509192 /nfs/dbraw/zinc/50/91/92/962509192.db2.gz GEZQYLVKJILVID-YPMHNXCESA-N -1 3 296.378 3.119 20 30 CGEDHM CC[C@@H]1CCC[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001577150692 962509204 /nfs/dbraw/zinc/50/92/04/962509204.db2.gz GEZQYLVKJILVID-YPMHNXCESA-N -1 3 296.378 3.119 20 30 CGEDHM C=C(CNc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001588444021 963270437 /nfs/dbraw/zinc/27/04/37/963270437.db2.gz GOHKMVUNEMUBOM-UHFFFAOYSA-N -1 3 295.321 3.131 20 30 CGEDHM C=C(CNc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001588444021 963270446 /nfs/dbraw/zinc/27/04/46/963270446.db2.gz GOHKMVUNEMUBOM-UHFFFAOYSA-N -1 3 295.321 3.131 20 30 CGEDHM C=CCCC1(CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588579467 963286793 /nfs/dbraw/zinc/28/67/93/963286793.db2.gz MYWULCDJPRYGGB-UHFFFAOYSA-N -1 3 298.394 3.200 20 30 CGEDHM C=CCCC1(CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588579467 963286805 /nfs/dbraw/zinc/28/68/05/963286805.db2.gz MYWULCDJPRYGGB-UHFFFAOYSA-N -1 3 298.394 3.200 20 30 CGEDHM C=CCCCCCN(C)Cc1snc(OC)c1C(=O)[O-] ZINC001588799885 963320942 /nfs/dbraw/zinc/32/09/42/963320942.db2.gz NRXMXFDJNQHXKP-UHFFFAOYSA-N -1 3 298.408 3.028 20 30 CGEDHM CC(C)(C)CC(N=Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001589111732 963344992 /nfs/dbraw/zinc/34/49/92/963344992.db2.gz TUAHDLZIYPZEJD-UHFFFAOYSA-N -1 3 298.394 3.481 20 30 CGEDHM CC(C)(C)CC(N=Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001589111732 963345004 /nfs/dbraw/zinc/34/50/04/963345004.db2.gz TUAHDLZIYPZEJD-UHFFFAOYSA-N -1 3 298.394 3.481 20 30 CGEDHM C/C=C\C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594686622 987067971 /nfs/dbraw/zinc/06/79/71/987067971.db2.gz ZVPURRPJJPSVLN-PYLYLYNFSA-N -1 3 298.386 3.435 20 30 CGEDHM N#Cc1cccc(CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000117115238 232183691 /nfs/dbraw/zinc/18/36/91/232183691.db2.gz VNAKAARNPCGSIC-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM Cc1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1[O-] ZINC000151354642 346137206 /nfs/dbraw/zinc/13/72/06/346137206.db2.gz AQWHQIBUHSYJKS-UHFFFAOYSA-N -1 3 288.253 3.103 20 30 CGEDHM CCc1cccc(C(=O)NCC(C)(C)CCC#N)c1[O-] ZINC000588783942 346768735 /nfs/dbraw/zinc/76/87/35/346768735.db2.gz PJNSPIMZHZYYJU-UHFFFAOYSA-N -1 3 274.364 3.014 20 30 CGEDHM Cn1cc([N-]c2nc(C#N)c(Cl)s2)c(C2CC2)n1 ZINC000596242521 347403657 /nfs/dbraw/zinc/40/36/57/347403657.db2.gz VLSSGCFUJGJMFH-UHFFFAOYSA-N -1 3 279.756 3.023 20 30 CGEDHM CC[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)CC(F)(F)F ZINC000596271629 347408047 /nfs/dbraw/zinc/40/80/47/347408047.db2.gz TVMOUCKPUDZQJG-ZCFIWIBFSA-N -1 3 297.733 3.481 20 30 CGEDHM CC1(C#N)CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000599365102 347740365 /nfs/dbraw/zinc/74/03/65/347740365.db2.gz CLFQGDKCFLTIPW-UHFFFAOYSA-N -1 3 264.756 3.171 20 30 CGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000604890736 348137847 /nfs/dbraw/zinc/13/78/47/348137847.db2.gz XUPUYDZOJUORRD-QMMMGPOBSA-N -1 3 294.203 3.236 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000617779839 349009479 /nfs/dbraw/zinc/00/94/79/349009479.db2.gz JKWAFDAFLFDIPB-NSHDSACASA-N -1 3 279.767 3.474 20 30 CGEDHM C=CC[C@@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000617787030 349012702 /nfs/dbraw/zinc/01/27/02/349012702.db2.gz GDLCQFWOXRCORH-CYBMUJFWSA-N -1 3 259.349 3.129 20 30 CGEDHM Cc1cccc([C@@H](NCc2cccc(C#N)c2)C(=O)[O-])c1C ZINC000426720216 236308218 /nfs/dbraw/zinc/30/82/18/236308218.db2.gz LIJTYPMORUGSCS-QGZVFWFLSA-N -1 3 294.354 3.091 20 30 CGEDHM N#Cc1cc(F)c(C(=O)[N-]c2cccc3ocnc32)c(F)c1 ZINC000341620187 216036753 /nfs/dbraw/zinc/03/67/53/216036753.db2.gz PSHDSDDYWSIQOR-UHFFFAOYSA-N -1 3 299.236 3.230 20 30 CGEDHM COc1ccc2c(c1)O/C(=C/c1ccc([O-])cc1)C2=O ZINC000032145055 368928057 /nfs/dbraw/zinc/92/80/57/368928057.db2.gz MFVPNDADRDUDMC-OVCLIPMQSA-N -1 3 268.268 3.017 20 30 CGEDHM C[C@H](O[N-]C(=O)/C=C\c1cccc(C#N)c1)c1ccccc1 ZINC000493861008 244244906 /nfs/dbraw/zinc/24/49/06/244244906.db2.gz SOEMVAFDAPPVBQ-BMSUMIBZSA-N -1 3 292.338 3.380 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCc2c1cccc2F ZINC000294572345 372660632 /nfs/dbraw/zinc/66/06/32/372660632.db2.gz MFPAPAGJNQBCKB-GFCCVEGCSA-N -1 3 269.266 3.141 20 30 CGEDHM C[C@@H](CC#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000171284736 372735700 /nfs/dbraw/zinc/73/57/00/372735700.db2.gz VFIGZKGKZWJCHT-ZDUSSCGKSA-N -1 3 294.354 3.015 20 30 CGEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436838829 372841199 /nfs/dbraw/zinc/84/11/99/372841199.db2.gz MANWBWQFKOFLDY-INIZCTEOSA-N -1 3 294.354 3.258 20 30 CGEDHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CCO[C@H](C)C2)c1 ZINC000330625714 374486915 /nfs/dbraw/zinc/48/69/15/374486915.db2.gz HYXSCOKNDNRPGM-DGCLKSJQSA-N -1 3 277.364 3.074 20 30 CGEDHM C=CCCC[C@@H](C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000487235531 375210307 /nfs/dbraw/zinc/21/03/07/375210307.db2.gz UWJVJUOGGBPYEC-GFCCVEGCSA-N -1 3 261.365 3.429 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1ccc(OC(C)C)cc1 ZINC000493181004 375464050 /nfs/dbraw/zinc/46/40/50/375464050.db2.gz ANUPNJOKPGTCNY-BIRHUZIMSA-N -1 3 275.348 3.109 20 30 CGEDHM CC(C)c1ccoc1C([O-])=C(C#N)c1ccccn1 ZINC000342444426 377649487 /nfs/dbraw/zinc/64/94/87/377649487.db2.gz XYCIYKWNPZKDER-GFCCVEGCSA-N -1 3 254.289 3.288 20 30 CGEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])cc1F ZINC000639404252 379365503 /nfs/dbraw/zinc/36/55/03/379365503.db2.gz LQOKBQAJYFOFLA-INIZCTEOSA-N -1 3 298.317 3.284 20 30 CGEDHM Cc1ccncc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361541312 381792418 /nfs/dbraw/zinc/79/24/18/381792418.db2.gz ODJXBPXRKTVAKT-HNNXBMFYSA-N -1 3 287.322 3.428 20 30 CGEDHM N#CC(=C([O-])c1ccoc1)c1nccc2ccccc21 ZINC000361540293 381793144 /nfs/dbraw/zinc/79/31/44/381793144.db2.gz IVFWTGHBXKOSQS-AWEZNQCLSA-N -1 3 262.268 3.318 20 30 CGEDHM C=CCC1(C(=O)Nc2ccc(OC)cc2[O-])CCC1 ZINC000359837363 542581818 /nfs/dbraw/zinc/58/18/18/542581818.db2.gz CFJJLBJKJNTYLZ-UHFFFAOYSA-N -1 3 261.321 3.086 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1cc2ccccc2cc1OC ZINC000417611953 393350962 /nfs/dbraw/zinc/35/09/62/393350962.db2.gz QKMLTWWGYJPXNY-MRXNPFEDSA-N -1 3 299.370 3.357 20 30 CGEDHM Cc1ncccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000676103797 543382186 /nfs/dbraw/zinc/38/21/86/543382186.db2.gz IJUCBLLZCCEQLN-OAHLLOKOSA-N -1 3 287.322 3.428 20 30 CGEDHM CC(C)c1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000659115418 418960165 /nfs/dbraw/zinc/96/01/65/418960165.db2.gz YKOKKQCQMVDVGH-AWEZNQCLSA-N -1 3 265.316 3.090 20 30 CGEDHM C=CCN(C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000297780558 260134321 /nfs/dbraw/zinc/13/43/21/260134321.db2.gz WEGYVGBOKZARJW-UHFFFAOYSA-N -1 3 255.745 3.062 20 30 CGEDHM C[C@@H]1CN(c2ccc(/N=C/c3ccccc3[O-])cc2)CCO1 ZINC000078007374 260299019 /nfs/dbraw/zinc/29/90/19/260299019.db2.gz SSWJEVJOLVCXHZ-ONDHQXCVSA-N -1 3 296.370 3.368 20 30 CGEDHM CCCCCCCCC(=O)[N-]OCc1cccnc1 ZINC000160846846 261228244 /nfs/dbraw/zinc/22/82/44/261228244.db2.gz MSQVGXSANLYGGT-UHFFFAOYSA-N -1 3 264.369 3.380 20 30 CGEDHM C[C@@H]1COCC[C@@H]1/N=C/c1c([O-])ccc2ccccc21 ZINC000277382849 263040950 /nfs/dbraw/zinc/04/09/50/263040950.db2.gz NHJWDPBFZSEWQO-JZRACIIKSA-N -1 3 269.344 3.389 20 30 CGEDHM C[C@@]1(C/N=C/c2ccccc2[O-])OCCc2sccc21 ZINC000290649626 263117997 /nfs/dbraw/zinc/11/79/97/263117997.db2.gz WOXOFZMDXHDYEZ-KFXAOSDLSA-N -1 3 287.384 3.361 20 30 CGEDHM Cc1cc(C/N=C/c2ccccc2[O-])cc(N2CCCC2)n1 ZINC000290670563 263118185 /nfs/dbraw/zinc/11/81/85/263118185.db2.gz YQPNJLSHBUQMRL-CPNJWEJPSA-N -1 3 295.386 3.315 20 30 CGEDHM C=CCCOCCCCC(=O)Nc1ccc([O-])cc1F ZINC000360859521 266748326 /nfs/dbraw/zinc/74/83/26/266748326.db2.gz NOBHSWFAHQHOAJ-UHFFFAOYSA-N -1 3 281.327 3.233 20 30 CGEDHM C[C@@H]1CCN(C(=O)c2ccc(C#N)s2)c2c([O-])cccc21 ZINC000336048412 278540807 /nfs/dbraw/zinc/54/08/07/278540807.db2.gz WFSWDGBKNQRART-SNVBAGLBSA-N -1 3 298.367 3.479 20 30 CGEDHM CC1(C)CCC[C@H]1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000329483289 281059308 /nfs/dbraw/zinc/05/93/08/281059308.db2.gz WLWYDSDIFGZXMU-VIFPVBQESA-N -1 3 290.342 3.228 20 30 CGEDHM CC1(C)CCC[C@H]1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000329483289 281059310 /nfs/dbraw/zinc/05/93/10/281059310.db2.gz WLWYDSDIFGZXMU-VIFPVBQESA-N -1 3 290.342 3.228 20 30 CGEDHM CC1(C)CCC[C@H]1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000329483289 281059313 /nfs/dbraw/zinc/05/93/13/281059313.db2.gz WLWYDSDIFGZXMU-VIFPVBQESA-N -1 3 290.342 3.228 20 30 CGEDHM C=C(CC)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452039631 328213938 /nfs/dbraw/zinc/21/39/38/328213938.db2.gz HOFFNFWUOFFSMT-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM N#CC(=C([O-])c1ccccc1OCC1CC1)c1ccccn1 ZINC000102118879 328395024 /nfs/dbraw/zinc/39/50/24/328395024.db2.gz XJNMEFWZSLETSP-OAHLLOKOSA-N -1 3 292.338 3.360 20 30 CGEDHM C=C[C@@H](CC(=O)Nc1ccncc1[O-])c1ccccc1 ZINC000089487277 330385545 /nfs/dbraw/zinc/38/55/45/330385545.db2.gz AGPWJMTVYGCYRN-LBPRGKRZSA-N -1 3 268.316 3.086 20 30 CGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429841465 330555575 /nfs/dbraw/zinc/55/55/75/330555575.db2.gz QRAADKMPWPFVOO-MRVPVSSYSA-N -1 3 294.203 3.236 20 30 CGEDHM C=CCCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000447927229 330880357 /nfs/dbraw/zinc/88/03/57/330880357.db2.gz AJUYVJONQKHLRD-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM C=CCC1(C(=O)N=c2[nH][n-]c(CC)c2C)CCCCC1 ZINC000449850294 330952194 /nfs/dbraw/zinc/95/21/94/330952194.db2.gz MGLMITBFIZKGID-UHFFFAOYSA-N -1 3 275.396 3.168 20 30 CGEDHM C=CCC1(C(=O)NCc2ccc([O-])c(F)c2)CCCC1 ZINC000449914745 330954596 /nfs/dbraw/zinc/95/45/96/330954596.db2.gz RBHYCXYVBXGEOV-UHFFFAOYSA-N -1 3 277.339 3.284 20 30 CGEDHM CC(C)(C#N)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450523651 330984945 /nfs/dbraw/zinc/98/49/45/330984945.db2.gz ITLKULDZOYZPDO-UHFFFAOYSA-N -1 3 296.370 3.144 20 30 CGEDHM CCOc1cc(CN2CCC(C#N)CC2)cc(Cl)c1[O-] ZINC000459328393 331276333 /nfs/dbraw/zinc/27/63/33/331276333.db2.gz PTPSDSFRURNZCS-UHFFFAOYSA-N -1 3 294.782 3.180 20 30 CGEDHM C=CCN(CCc1ccco1)C(=O)c1cc(CC)ccc1[O-] ZINC000496687479 332556825 /nfs/dbraw/zinc/55/68/25/332556825.db2.gz CMKFBIYSKRBBNB-UHFFFAOYSA-N -1 3 299.370 3.419 20 30 CGEDHM C=CCC1(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)CCC1 ZINC000190632997 534596340 /nfs/dbraw/zinc/59/63/40/534596340.db2.gz YTZPSBPKTAOARI-UHFFFAOYSA-N -1 3 286.335 3.058 20 30 CGEDHM C=CCC1(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)CCC1 ZINC000190632997 534596348 /nfs/dbraw/zinc/59/63/48/534596348.db2.gz YTZPSBPKTAOARI-UHFFFAOYSA-N -1 3 286.335 3.058 20 30 CGEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CCC1 ZINC000190632997 534596353 /nfs/dbraw/zinc/59/63/53/534596353.db2.gz YTZPSBPKTAOARI-UHFFFAOYSA-N -1 3 286.335 3.058 20 30 CGEDHM CC[C@H]1CCCC[C@H]1OCC(=O)[N-]c1nncn1C1CC1 ZINC000329112779 529211657 /nfs/dbraw/zinc/21/16/57/529211657.db2.gz KVTYYHGFIOLWMA-WCQYABFASA-N -1 3 292.383 3.186 20 30 CGEDHM COc1ccc(C[C@H](C)/N=C\c2ccccc2[O-])cc1OC ZINC000730147152 571950919 /nfs/dbraw/zinc/95/09/19/571950919.db2.gz LCFOLVSYRDLEMJ-QXGSTRBFSA-N -1 3 299.370 3.460 20 30 CGEDHM CC1(C)[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@@H]2CCO[C@H]21 ZINC000741165130 572487224 /nfs/dbraw/zinc/48/72/24/572487224.db2.gz GUVXUQXCXNGLSQ-XWZWMOKGSA-N -1 3 279.767 3.278 20 30 CGEDHM COc1cc(CC/N=C/c2ccccc2[O-])ccc1C ZINC000741166035 572487266 /nfs/dbraw/zinc/48/72/66/572487266.db2.gz VFKXMYFXAKMNIA-LDADJPATSA-N -1 3 269.344 3.371 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000741464616 572500700 /nfs/dbraw/zinc/50/07/00/572500700.db2.gz QCJPAWYBBWXAKK-JWCDYJIOSA-N -1 3 289.375 3.023 20 30 CGEDHM CCOc1ccc(/C=N\[C@@H]2CC[C@@H](SC)C2)c([O-])c1 ZINC000743043544 572635857 /nfs/dbraw/zinc/63/58/57/572635857.db2.gz WNZIBZWYGBKRGA-AKCQFSKZSA-N -1 3 279.405 3.494 20 30 CGEDHM CCOc1ccc(/C=N/[C@@H]2CC[C@@H](SC)C2)c([O-])c1 ZINC000743043546 572636030 /nfs/dbraw/zinc/63/60/30/572636030.db2.gz WNZIBZWYGBKRGA-QWMFHAOCSA-N -1 3 279.405 3.494 20 30 CGEDHM COc1cccc([O-])c1/C=N/CC1Cc2ccccc2C1 ZINC000735228856 572706815 /nfs/dbraw/zinc/70/68/15/572706815.db2.gz JHIDAQGPMVWQPR-XDHOZWIPSA-N -1 3 281.355 3.235 20 30 CGEDHM Cc1cc(C)c(C/N=C/c2ccc(O)c([O-])c2O)c(C)c1 ZINC000745625679 572827452 /nfs/dbraw/zinc/82/74/52/572827452.db2.gz ZBLKMAJBERTILH-QGMBQPNBSA-N -1 3 285.343 3.348 20 30 CGEDHM CCOc1ccc(/C=N/[C@@H](CC)C2CCOCC2)c([O-])c1 ZINC000746393886 572869235 /nfs/dbraw/zinc/86/92/35/572869235.db2.gz LYPIEDMBNKKBHW-IQFISFIMSA-N -1 3 291.391 3.415 20 30 CGEDHM CN(C)c1nc(C/N=C/c2cc(Cl)ccc2[O-])cs1 ZINC000746815350 572896871 /nfs/dbraw/zinc/89/68/71/572896871.db2.gz HOAGAJKGMONMNG-GIDUJCDVSA-N -1 3 295.795 3.187 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cccc(F)n1 ZINC000747691921 572941276 /nfs/dbraw/zinc/94/12/76/572941276.db2.gz XJVOWFNMGZZABR-APSNUPSMSA-N -1 3 264.687 3.199 20 30 CGEDHM Cc1cccc2ncc(/C=C3\Cc4c(cccc4[O-])C3=O)n21 ZINC000748999682 572987883 /nfs/dbraw/zinc/98/78/83/572987883.db2.gz SHJYOMVWZRNPIW-XYOKQWHBSA-N -1 3 290.322 3.171 20 30 CGEDHM C[C@@H]1CCC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901375479 620867976 /nfs/dbraw/zinc/86/79/76/620867976.db2.gz IVPDGKMQKXUNEX-DGCLKSJQSA-N -1 3 265.328 3.370 20 30 CGEDHM CCOCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096778 620762454 /nfs/dbraw/zinc/76/24/54/620762454.db2.gz OTUDWAWOVRMVDJ-UHFFFAOYSA-N -1 3 292.162 3.138 20 30 CGEDHM CCCOc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255107652 617924067 /nfs/dbraw/zinc/92/40/67/617924067.db2.gz JSTYNHNXOYKOJF-UHFFFAOYSA-N -1 3 287.315 3.343 20 30 CGEDHM C=CCCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000077239673 618195431 /nfs/dbraw/zinc/19/54/31/618195431.db2.gz NBPOEQPBAPEEJQ-UHFFFAOYSA-N -1 3 269.344 3.396 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C#N)C(C)(C)C)n[n-]2)o1 ZINC000184932754 625280376 /nfs/dbraw/zinc/28/03/76/625280376.db2.gz FUTNJLBUUIZJNA-CYBMUJFWSA-N -1 3 287.319 3.073 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C#N)C(C)(C)C)[n-]n2)o1 ZINC000184932754 625280385 /nfs/dbraw/zinc/28/03/85/625280385.db2.gz FUTNJLBUUIZJNA-CYBMUJFWSA-N -1 3 287.319 3.073 20 30 CGEDHM Cc1cc(F)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255558978 618678659 /nfs/dbraw/zinc/67/86/59/618678659.db2.gz HOCKCBULTLDCQB-UHFFFAOYSA-N -1 3 261.252 3.002 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCCS1 ZINC000255669359 618774617 /nfs/dbraw/zinc/77/46/17/618774617.db2.gz LEIPWOAREAZUFP-ODYDIQAQSA-N -1 3 255.770 3.360 20 30 CGEDHM Cc1cc([N+](=O)[O-])ccc1/C=C1/Cc2c(cccc2[O-])C1=O ZINC000184335487 619051490 /nfs/dbraw/zinc/05/14/90/619051490.db2.gz RXGCKSWFWSVIMK-WQLSENKSSA-N -1 3 295.294 3.431 20 30 CGEDHM C=C1CC(C)(c2noc(-c3cc(OC)ccc3[O-])n2)C1 ZINC000896914898 620098414 /nfs/dbraw/zinc/09/84/14/620098414.db2.gz CSWLZZJSPDICGO-UHFFFAOYSA-N -1 3 272.304 3.059 20 30 CGEDHM C=C1CC(C)(c2noc(Cc3ccc([O-])c(F)c3)n2)C1 ZINC000896921729 620102213 /nfs/dbraw/zinc/10/22/13/620102213.db2.gz QQRRBSHNCGDGMA-UHFFFAOYSA-N -1 3 274.295 3.113 20 30 CGEDHM C=CC(C)(C)NCc1cccc([O-])c1Br ZINC000898460057 620590117 /nfs/dbraw/zinc/59/01/17/620590117.db2.gz BHNAZZFDCZNDNN-UHFFFAOYSA-N -1 3 270.170 3.209 20 30 CGEDHM CCC[C@@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374850 620867945 /nfs/dbraw/zinc/86/79/45/620867945.db2.gz ULLRKMFBNOFECH-LLVKDONJSA-N -1 3 253.317 3.370 20 30 CGEDHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccc1F ZINC000901375049 620867984 /nfs/dbraw/zinc/86/79/84/620867984.db2.gz CACGGNKFDFNCLF-UHFFFAOYSA-N -1 3 293.269 3.005 20 30 CGEDHM CCCCS[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374819 620868207 /nfs/dbraw/zinc/86/82/07/620868207.db2.gz SPZJJAVBHWIIDX-LLVKDONJSA-N -1 3 285.384 3.465 20 30 CGEDHM Cc1ccccc1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376648 620868494 /nfs/dbraw/zinc/86/84/94/620868494.db2.gz XLUBKKZWOVHRNH-UHFFFAOYSA-N -1 3 287.334 3.485 20 30 CGEDHM COc1cc(C(=O)/C=C/c2cncn2C(C)C)ccc1[O-] ZINC000901431963 620886466 /nfs/dbraw/zinc/88/64/66/620886466.db2.gz ZSWCFNFZYMYOLO-FNORWQNLSA-N -1 3 286.331 3.074 20 30 CGEDHM O=C(C[C@H]1CCCOC1)N([O-])Cc1cccc2ccccc21 ZINC000904172103 621884456 /nfs/dbraw/zinc/88/44/56/621884456.db2.gz ZBZCZEMNVQLBRM-CQSZACIVSA-N -1 3 299.370 3.374 20 30 CGEDHM O=C(CCCC(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000904174142 621885047 /nfs/dbraw/zinc/88/50/47/621885047.db2.gz UMMGDCGVSLWQJB-UHFFFAOYSA-N -1 3 279.233 3.276 20 30 CGEDHM C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC=CCC1 ZINC000904177515 621885420 /nfs/dbraw/zinc/88/54/20/621885420.db2.gz FWRVEALMUOVQPE-HNNXBMFYSA-N -1 3 263.312 3.290 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000904209306 621885971 /nfs/dbraw/zinc/88/59/71/621885971.db2.gz YFJQCUMPQAUVLF-VHSXEESVSA-N -1 3 267.291 3.373 20 30 CGEDHM CCCCN([O-])C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000904207909 621886238 /nfs/dbraw/zinc/88/62/38/621886238.db2.gz HUKRLNGRJOKTQD-UHFFFAOYSA-N -1 3 288.347 3.210 20 30 CGEDHM CCCCN([O-])C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000904207905 621886378 /nfs/dbraw/zinc/88/63/78/621886378.db2.gz HQTRCIITNPHZCZ-UHFFFAOYSA-N -1 3 288.347 3.292 20 30 CGEDHM O=C(CSC(F)F)N([O-])Cc1ccccc1Cl ZINC000904193491 621887506 /nfs/dbraw/zinc/88/75/06/621887506.db2.gz QJEPLKMVWJYGMV-UHFFFAOYSA-N -1 3 281.711 3.014 20 30 CGEDHM C[C@@H](C(=O)N([O-])CCCCc1ccccc1)C(F)(F)F ZINC000904196628 621888218 /nfs/dbraw/zinc/88/82/18/621888218.db2.gz AGUMKVANZBNXCO-NSHDSACASA-N -1 3 289.297 3.426 20 30 CGEDHM CCCCN([O-])C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000904215045 621889784 /nfs/dbraw/zinc/88/97/84/621889784.db2.gz YGPBYDUBJNVPRM-JQWIXIFHSA-N -1 3 261.312 3.220 20 30 CGEDHM Cc1ccc(NN=Cc2c([O-])cccc2Cl)nc1 ZINC000755690085 625582764 /nfs/dbraw/zinc/58/27/64/625582764.db2.gz VXXGJBTYUJJIMJ-UHFFFAOYSA-N -1 3 261.712 3.195 20 30 CGEDHM N#CC(=C([O-])C=CSCc1ccco1)c1ccccn1 ZINC000150927838 622695747 /nfs/dbraw/zinc/69/57/47/622695747.db2.gz NZIQCHBMIPOVNO-YSKGHYERSA-N -1 3 284.340 3.298 20 30 CGEDHM COc1cc(C(=O)/C=C/c2cccnc2Cl)ccc1[O-] ZINC000171350539 623153316 /nfs/dbraw/zinc/15/33/16/623153316.db2.gz IQBHUDBVHYRCKR-GQCTYLIASA-N -1 3 289.718 3.345 20 30 CGEDHM CC1(C)CCCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000757576761 623479337 /nfs/dbraw/zinc/47/93/37/623479337.db2.gz QTZOPXNCGAVKBX-UHFFFAOYSA-N -1 3 294.420 3.062 20 30 CGEDHM N#C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCCC1 ZINC000921547344 625668396 /nfs/dbraw/zinc/66/83/96/625668396.db2.gz CQBDHKJKRILMFZ-MRXNPFEDSA-N -1 3 294.354 3.358 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cccc(F)c2)nc(C)n1 ZINC000916879646 624221561 /nfs/dbraw/zinc/22/15/61/624221561.db2.gz CUNUYHBVPDSSTI-XHPSBEMXSA-N -1 3 295.317 3.122 20 30 CGEDHM CCC(C[C@H](C)CC)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920384585 624487453 /nfs/dbraw/zinc/48/74/53/624487453.db2.gz YDVPTTDFXKNGNF-CYBMUJFWSA-N -1 3 296.436 3.308 20 30 CGEDHM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000175106535 624614006 /nfs/dbraw/zinc/61/40/06/624614006.db2.gz MKSVYWDLEHCMIJ-CQSZACIVSA-N -1 3 296.326 3.166 20 30 CGEDHM 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CGEDHM N#Cc1c(F)cccc1/C=C\C(=O)c1cccc([O-])c1 ZINC000811687297 631109844 /nfs/dbraw/zinc/10/98/44/631109844.db2.gz NPPDPPRCOUKMQX-FPLPWBNLSA-N -1 3 267.259 3.299 20 30 CGEDHM N#Cc1ccc2c(c1)C(=O)/C(=C\c1c(F)ccc([O-])c1F)C2 ZINC000811692922 631110506 /nfs/dbraw/zinc/11/05/06/631110506.db2.gz DAVQJLWMCXZXNB-XFFZJAGNSA-N -1 3 297.260 3.364 20 30 CGEDHM CCN(Cc1ccc(Br)cc1[O-])C[C@H](C)C#N ZINC000824596961 633263535 /nfs/dbraw/zinc/26/35/35/633263535.db2.gz LZDFGMFZEHIKFG-SNVBAGLBSA-N -1 3 297.196 3.136 20 30 CGEDHM C=CCN(CCC#N)Cc1cc(Cl)c(C)cc1[O-] ZINC000825959976 633392796 /nfs/dbraw/zinc/39/27/96/633392796.db2.gz URKJSOGREOHTKZ-UHFFFAOYSA-N -1 3 264.756 3.256 20 30 CGEDHM CC(C)c1nccnc1N=NC(C)c1cccc([O-])c1F ZINC000872371529 634123621 /nfs/dbraw/zinc/12/36/21/634123621.db2.gz NFSLTJVARVYVFM-UHFFFAOYSA-N -1 3 288.326 3.281 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OC[C@H]2CCCCC2(F)F)c1 ZINC000837646232 634957080 /nfs/dbraw/zinc/95/70/80/634957080.db2.gz NYBJYTPWHVNMDY-GFCCVEGCSA-N -1 3 295.285 3.246 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/nfs/dbraw/zinc/68/92/64/809689264.db2.gz DPTAELSBUGBLCQ-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1ccc(C(C)(C)C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001180606674 810014256 /nfs/dbraw/zinc/01/42/56/810014256.db2.gz WNQNIMPCXDKBBW-UHFFFAOYSA-N -1 3 294.354 3.489 20 30 CGEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)ccc1[O-] ZINC001182285218 810102578 /nfs/dbraw/zinc/10/25/78/810102578.db2.gz JNOLUQRBCIRQEX-UONOGXRCSA-N -1 3 296.301 3.145 20 30 CGEDHM CCC(C)(C)[C@@H](O)C(=O)N([O-])CCCCc1ccccc1 ZINC001184305830 810189777 /nfs/dbraw/zinc/18/97/77/810189777.db2.gz STLRYDZLHXOCAJ-HNNXBMFYSA-N -1 3 293.407 3.024 20 30 CGEDHM CCCCCCN([O-])C(=O)CC[C@@H]1CCCCO1 ZINC001184305934 810190179 /nfs/dbraw/zinc/19/01/79/810190179.db2.gz WZSJMAFRLZBZDC-ZDUSSCGKSA-N -1 3 257.374 3.134 20 30 CGEDHM CSc1ccccc1NC(=O)[N-]c1oc(C)nc1C#N ZINC001186716971 810357548 /nfs/dbraw/zinc/35/75/48/810357548.db2.gz NVSUYKVQLJKOAW-UHFFFAOYSA-N -1 3 288.332 3.221 20 30 CGEDHM C=CCC1(S(=O)(=O)[N-]c2ccccc2OCCC)CC1 ZINC001190814859 810650993 /nfs/dbraw/zinc/65/09/93/810650993.db2.gz QSLCCOXSINBTFH-UHFFFAOYSA-N -1 3 295.404 3.326 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2ccc(Cl)c(C)c2)c1C#N ZINC001191732247 810733784 /nfs/dbraw/zinc/73/37/84/810733784.db2.gz PCKMEXRXMZIVMS-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM CSc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)s1 ZINC001192646211 810813958 /nfs/dbraw/zinc/81/39/58/810813958.db2.gz DKKXCIFOHXPHNE-UHFFFAOYSA-N -1 3 290.369 3.300 20 30 CGEDHM C=CCCCNC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193758444 810948220 /nfs/dbraw/zinc/94/82/20/810948220.db2.gz RKVZPQXNOXUWTM-UHFFFAOYSA-N -1 3 273.254 3.107 20 30 CGEDHM CCCCCCCN(CC)S(=O)(=O)c1ccc([O-])cc1 ZINC001195783917 811290813 /nfs/dbraw/zinc/29/08/13/811290813.db2.gz XQNZQZXQWDJTRX-UHFFFAOYSA-N -1 3 299.436 3.373 20 30 CGEDHM COc1ccc(C(C)=O)cc1Nc1c([O-])cccc1C#N ZINC001210079528 814278158 /nfs/dbraw/zinc/27/81/58/814278158.db2.gz GXCROKNSEKRQCI-UHFFFAOYSA-N -1 3 282.299 3.219 20 30 CGEDHM COc1cc(-c2ccc(/C(C)=N/[O-])cc2)cc(C)n1 ZINC001242750007 823122868 /nfs/dbraw/zinc/12/28/68/823122868.db2.gz UGOQRHKDWKBJGY-GZTJUZNOSA-N -1 3 256.305 3.264 20 30 CGEDHM COC(=O)c1ccc([O-])cc1Nc1cc(C)cc(C#N)c1 ZINC001210393041 814440396 /nfs/dbraw/zinc/44/03/96/814440396.db2.gz USUWJWBLVHODSE-UHFFFAOYSA-N -1 3 282.299 3.103 20 30 CGEDHM N#Cc1ccc(Nc2ccc(F)c([O-])c2)c(F)c1F ZINC001211218475 814854411 /nfs/dbraw/zinc/85/44/11/814854411.db2.gz SOFPARCHLQLCEG-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM CNc1ccc(C#N)cc1Nc1ccc(F)c([O-])c1 ZINC001211220350 814854504 /nfs/dbraw/zinc/85/45/04/814854504.db2.gz FJBOJCVQIZAWEN-UHFFFAOYSA-N -1 3 257.268 3.188 20 30 CGEDHM Cc1cccc([O-])c1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211330610 814880414 /nfs/dbraw/zinc/88/04/14/814880414.db2.gz WECFFFNUJLZHHL-UHFFFAOYSA-N -1 3 269.260 3.224 20 30 CGEDHM COc1ncc(Nc2cc(Cl)ccc2C#N)cc1[O-] ZINC001216209337 815739494 /nfs/dbraw/zinc/73/94/94/815739494.db2.gz BAUKELYNDIBWSZ-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM Cc1coc([N-]c2ccn(C(=O)OC(C)(C)C)n2)c1C#N ZINC001216672780 815890767 /nfs/dbraw/zinc/89/07/67/815890767.db2.gz FKYJAHRTXFZRQY-UHFFFAOYSA-N -1 3 288.307 3.183 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccccc2)[n-]1 ZINC001225466449 817061560 /nfs/dbraw/zinc/06/15/60/817061560.db2.gz DPQMQTGHNOMREZ-NSHDSACASA-N -1 3 254.289 3.107 20 30 CGEDHM C=C[C@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1 ZINC001225468967 817062827 /nfs/dbraw/zinc/06/28/27/817062827.db2.gz WOBRVHLSXWEVAV-HNNXBMFYSA-N -1 3 266.300 3.273 20 30 CGEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cccc(/C=N/[O-])c1 ZINC001226113896 817276032 /nfs/dbraw/zinc/27/60/32/817276032.db2.gz BFMTYVRPAIMKSJ-HNEYUBDGSA-N -1 3 291.347 3.160 20 30 CGEDHM C[C@@H](COc1ccccc1)Oc1cc(C#N)ccc1[O-] ZINC001227345571 817628565 /nfs/dbraw/zinc/62/85/65/817628565.db2.gz ODPAQZLRQGCDQS-LBPRGKRZSA-N -1 3 269.300 3.110 20 30 CGEDHM C=CC(C=C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938966 817759018 /nfs/dbraw/zinc/75/90/18/817759018.db2.gz ALYYVLCUVIMTOK-UHFFFAOYSA-N -1 3 296.322 3.448 20 30 CGEDHM C#C[C@H](CC(C)C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622385 817955818 /nfs/dbraw/zinc/95/58/18/817955818.db2.gz IKGZMLDEGBLLGW-GFCCVEGCSA-N -1 3 286.327 3.234 20 30 CGEDHM C=C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228699980 817979028 /nfs/dbraw/zinc/97/90/28/817979028.db2.gz MJZJPNZMMUHNNE-AWEZNQCLSA-N -1 3 278.315 3.173 20 30 CGEDHM C=C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228699981 817980359 /nfs/dbraw/zinc/98/03/59/817980359.db2.gz MJZJPNZMMUHNNE-CQSZACIVSA-N -1 3 278.315 3.173 20 30 CGEDHM N#CCCN(CCC#N)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231526709 818120812 /nfs/dbraw/zinc/12/08/12/818120812.db2.gz STDBHDGEFJGXSH-UHFFFAOYSA-N -1 3 297.280 3.040 20 30 CGEDHM N#Cc1ccc([O-])c(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC001232675916 818417592 /nfs/dbraw/zinc/41/75/92/818417592.db2.gz FJGCSUZKQHLEBN-LBPRGKRZSA-N -1 3 284.281 3.038 20 30 CGEDHM N#Cc1ccc([O-])c(CN(Cc2ccco2)C2CC2)c1 ZINC001232678290 818418051 /nfs/dbraw/zinc/41/80/51/818418051.db2.gz TWHMAXHGXZVHOL-UHFFFAOYSA-N -1 3 268.316 3.021 20 30 CGEDHM CN(Cc1cccc(C#N)c1)Cc1ccc(F)c(F)c1[O-] ZINC001233078991 818518602 /nfs/dbraw/zinc/51/86/02/818518602.db2.gz RGAGJSFJBIGTSO-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001233524565 818633351 /nfs/dbraw/zinc/63/33/51/818633351.db2.gz PGPIAUYJUZVFIW-HWWQOWPSSA-N -1 3 255.317 3.350 20 30 CGEDHM C[C@@H](COc1ccccc1)Oc1cc([O-])cc(C#N)c1 ZINC001234138579 818788562 /nfs/dbraw/zinc/78/85/62/818788562.db2.gz AUWZKDQXDWIRGQ-LBPRGKRZSA-N -1 3 269.300 3.110 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1nc2ccsc2[n-]1 ZINC001234848782 818933694 /nfs/dbraw/zinc/93/36/94/818933694.db2.gz UCWJFOYBWAMDFN-ZETCQYMHSA-N -1 3 256.396 3.490 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1nc2sccc2[n-]1 ZINC001234848782 818933698 /nfs/dbraw/zinc/93/36/98/818933698.db2.gz UCWJFOYBWAMDFN-ZETCQYMHSA-N -1 3 256.396 3.490 20 30 CGEDHM N#C[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237126516 819673598 /nfs/dbraw/zinc/67/35/98/819673598.db2.gz MHIBFSWCWCBCQN-SNVBAGLBSA-N -1 3 282.746 3.310 20 30 CGEDHM CN(Cc1sc(=O)[n-]c1Cl)Cc1ccc(C#N)cc1 ZINC001237150837 819679343 /nfs/dbraw/zinc/67/93/43/819679343.db2.gz SCYVWGRSGDLILX-UHFFFAOYSA-N -1 3 293.779 3.006 20 30 CGEDHM CCNC(=O)Nc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001240581737 821166701 /nfs/dbraw/zinc/16/67/01/821166701.db2.gz YJOXKCNGBUPNGA-UHFFFAOYSA-N -1 3 283.331 3.303 20 30 CGEDHM CCOC(=O)c1ccc(C#N)c(-c2ccc(C)cc2[O-])c1 ZINC001241043391 821517904 /nfs/dbraw/zinc/51/79/04/821517904.db2.gz LECLASFIDOTVCX-UHFFFAOYSA-N -1 3 281.311 3.416 20 30 CGEDHM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1CC#N ZINC001241277844 821696286 /nfs/dbraw/zinc/69/62/86/821696286.db2.gz REBYUFRYEHIENE-UHFFFAOYSA-N -1 3 285.274 3.051 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccc(OC(F)F)nc2)c1 ZINC001242419734 822988354 /nfs/dbraw/zinc/98/83/54/822988354.db2.gz KRXFHQBIHPXHJC-REZTVBANSA-N -1 3 264.231 3.158 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1cscc1C(F)F ZINC001345643218 936818937 /nfs/dbraw/zinc/81/89/37/936818937.db2.gz NTKKSMFPXITVNX-QMMMGPOBSA-N -1 3 295.314 3.392 20 30 CGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC001346097107 936837849 /nfs/dbraw/zinc/83/78/49/936837849.db2.gz XYIDXXXKGVVNKJ-LBPRGKRZSA-N -1 3 299.399 3.333 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001458009066 937448465 /nfs/dbraw/zinc/44/84/65/937448465.db2.gz COUNYQYDBADPMW-GFCCVEGCSA-N -1 3 283.343 3.391 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)n1ccnc1 ZINC001458015654 937448807 /nfs/dbraw/zinc/44/88/07/937448807.db2.gz GHSQVTRCKZFMBS-CYBMUJFWSA-N -1 3 295.342 3.015 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001161832525 931987074 /nfs/dbraw/zinc/98/70/74/931987074.db2.gz PCGVOLDZWNBBMR-NWDGAFQWSA-N -1 3 269.291 3.086 20 30 CGEDHM C#CC(C#C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229938388 932505665 /nfs/dbraw/zinc/50/56/65/932505665.db2.gz VRCULRGIXPZMNR-CPNJWEJPSA-N -1 3 275.307 3.157 20 30 CGEDHM C=C[C@@H](Oc1[n-]c(=O)nc2c1SCC2)c1ccccc1 ZINC001230792179 932624950 /nfs/dbraw/zinc/62/49/50/932624950.db2.gz LWJKQURCSNUECE-GFCCVEGCSA-N -1 3 286.356 3.137 20 30 CGEDHM N#Cc1cc(-c2ccc3c(c2)CCCC(=O)N3)ccc1[O-] ZINC001242566033 932702753 /nfs/dbraw/zinc/70/27/53/932702753.db2.gz ZYWCUOJHYSOEPD-UHFFFAOYSA-N -1 3 278.311 3.206 20 30 CGEDHM CCCCN([O-])C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC001306897425 932763043 /nfs/dbraw/zinc/76/30/43/932763043.db2.gz MCKGOJSQDWRABX-UHFFFAOYSA-N -1 3 280.755 3.382 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001306897366 932892749 /nfs/dbraw/zinc/89/27/49/932892749.db2.gz KCEBNOIBEYXMAQ-CYBMUJFWSA-N -1 3 277.364 3.349 20 30 CGEDHM O=C(c1ccncc1F)N([O-])Cc1cccc2ccccc21 ZINC001306900072 932892774 /nfs/dbraw/zinc/89/27/74/932892774.db2.gz IQONAHXTADPFIQ-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc(C)cc(Cl)n1 ZINC001306897006 932893641 /nfs/dbraw/zinc/89/36/41/932893641.db2.gz VSWQZLZGIPKDSE-UHFFFAOYSA-N -1 3 270.760 3.455 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001469733841 937743060 /nfs/dbraw/zinc/74/30/60/937743060.db2.gz VMATYQRGCOZPKG-AXFHLTTASA-N -1 3 279.302 3.368 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001472621514 937778265 /nfs/dbraw/zinc/77/82/65/937778265.db2.gz XKUWYMLIIRKHLJ-AWEZNQCLSA-N -1 3 277.364 3.097 20 30 CGEDHM CC(=NNc1ccn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC001324492978 934515496 /nfs/dbraw/zinc/51/54/96/934515496.db2.gz JXKCUJGWCODKTI-UHFFFAOYSA-N -1 3 299.161 3.269 20 30 CGEDHM CCCCCCN([O-])C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC001472621543 937778687 /nfs/dbraw/zinc/77/86/87/937778687.db2.gz YREBKMGWOLPIFU-UONOGXRCSA-N -1 3 271.401 3.380 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cccnc2N(C)C)ccc1[O-] ZINC001328936732 935175764 /nfs/dbraw/zinc/17/57/64/935175764.db2.gz WZXZUCCGOWYZRU-RMKNXTFCSA-N -1 3 282.343 3.058 20 30 CGEDHM CC(C)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)cn1 ZINC001524705262 938044933 /nfs/dbraw/zinc/04/49/33/938044933.db2.gz PLDVSUUGXIBCLH-LBPRGKRZSA-N -1 3 283.306 3.229 20 30 CGEDHM CCCCN([O-])C(=O)CCc1ccc(OCC)cc1 ZINC001559035106 938219309 /nfs/dbraw/zinc/21/93/09/938219309.db2.gz CEICHSGQYPBELH-UHFFFAOYSA-N -1 3 265.353 3.036 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC001559035237 938219352 /nfs/dbraw/zinc/21/93/52/938219352.db2.gz IMJHNVYHRLGMRY-ZDUSSCGKSA-N -1 3 274.364 3.295 20 30 CGEDHM CC(C)(C#N)CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612645 949094136 /nfs/dbraw/zinc/09/41/36/949094136.db2.gz YAHBLLCOEUEBEP-OAHLLOKOSA-N -1 3 286.375 3.000 20 30 CGEDHM Cc1noc([N-]c2cc(Cl)cnc2OC(C)C)c1C#N ZINC001203310308 957895739 /nfs/dbraw/zinc/89/57/39/957895739.db2.gz SGGZJZKHODFAHD-UHFFFAOYSA-N -1 3 292.726 3.434 20 30 CGEDHM C=CCC(F)(F)C(=O)Nc1c([O-])cccc1Cl ZINC001569682794 961821605 /nfs/dbraw/zinc/82/16/05/961821605.db2.gz UQFDVQHMYXVZKJ-UHFFFAOYSA-N -1 3 261.655 3.196 20 30 CGEDHM C=CCCC(C)(C)CNc1cc(F)ccc1-c1nnn[n-]1 ZINC001573327787 962237251 /nfs/dbraw/zinc/23/72/51/962237251.db2.gz KUVIOEUZVGDTBX-UHFFFAOYSA-N -1 3 289.358 3.410 20 30 CGEDHM C=CCCC(C)(C)CNc1cc(F)ccc1-c1nn[n-]n1 ZINC001573327787 962237273 /nfs/dbraw/zinc/23/72/73/962237273.db2.gz KUVIOEUZVGDTBX-UHFFFAOYSA-N -1 3 289.358 3.410 20 30 CGEDHM C=CCC(C)(C)CNc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588539550 963283665 /nfs/dbraw/zinc/28/36/65/963283665.db2.gz PPMVOKJBYIUZDP-UHFFFAOYSA-N -1 3 289.358 3.328 20 30 CGEDHM C=CCC(C)(C)CNc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588539550 963283672 /nfs/dbraw/zinc/28/36/72/963283672.db2.gz PPMVOKJBYIUZDP-UHFFFAOYSA-N -1 3 289.358 3.328 20 30 CGEDHM CC[C@H]1CC[C@@H](C)N1Cc1cccc(C(=O)[O-])c1C#N ZINC001595416251 981032276 /nfs/dbraw/zinc/03/22/76/981032276.db2.gz SHXOOJAZLVONKU-YPMHNXCESA-N -1 3 272.348 3.019 20 30 CGEDHM CCN(Cc1cccc(C(=O)[O-])c1C#N)C1CC(C)(C)C1 ZINC001596364644 983850615 /nfs/dbraw/zinc/85/06/15/983850615.db2.gz TXKFZEKHHXAXLT-UHFFFAOYSA-N -1 3 286.375 3.267 20 30 CGEDHM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1ccccn1 ZINC000123821168 346010237 /nfs/dbraw/zinc/01/02/37/346010237.db2.gz ORCHXKPNWNUPPJ-GFCCVEGCSA-N -1 3 281.702 3.097 20 30 CGEDHM Cc1csc([N-]C(=O)c2coc(C3CC3)n2)c1C#N ZINC000589034763 346780369 /nfs/dbraw/zinc/78/03/69/346780369.db2.gz CAGXBYHTTRVJJQ-UHFFFAOYSA-N -1 3 273.317 3.046 20 30 CGEDHM CSCC1(CCN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596419722 347452577 /nfs/dbraw/zinc/45/25/77/347452577.db2.gz REXXNUCFAMGUBC-UHFFFAOYSA-N -1 3 287.841 3.035 20 30 CGEDHM N#C[C@]1(C(=O)Nc2ccc([O-])cc2Cl)CC12CCCC2 ZINC000597857067 347595775 /nfs/dbraw/zinc/59/57/75/347595775.db2.gz KGOUQQVIYMHYNC-HNNXBMFYSA-N -1 3 290.750 3.458 20 30 CGEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC000617779802 349009290 /nfs/dbraw/zinc/00/92/90/349009290.db2.gz IZYPPJIDPPASTR-AWEZNQCLSA-N -1 3 273.376 3.383 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1csc(C(F)(F)F)c1 ZINC000630460115 350843068 /nfs/dbraw/zinc/84/30/68/350843068.db2.gz ZROISBHGIJFMKW-SECBINFHSA-N -1 3 293.310 3.276 20 30 CGEDHM N#C[C@H](Sc1nnc(-c2ccccn2)[n-]1)C1CCCCC1 ZINC000117113280 370577710 /nfs/dbraw/zinc/57/77/10/370577710.db2.gz BOSCKCPWQXJRFT-ZDUSSCGKSA-N -1 3 299.403 3.431 20 30 CGEDHM N#C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C1CCCCC1 ZINC000117113280 370577720 /nfs/dbraw/zinc/57/77/20/370577720.db2.gz BOSCKCPWQXJRFT-ZDUSSCGKSA-N -1 3 299.403 3.431 20 30 CGEDHM Cc1nc2ccc(C([O-])=C(C#N)c3ccccn3)cc2s1 ZINC000433116813 372582331 /nfs/dbraw/zinc/58/23/31/372582331.db2.gz NAKBFVOBYFMXSJ-LBPRGKRZSA-N -1 3 293.351 3.490 20 30 CGEDHM C#CC(C)(C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294889292 372676370 /nfs/dbraw/zinc/67/63/70/372676370.db2.gz FPISYKYHILHXDT-UHFFFAOYSA-N -1 3 281.355 3.006 20 30 CGEDHM N#CC1(NC(=O)c2cc3c(cc2[O-])CCCC3)CCCCC1 ZINC000436535309 372836209 /nfs/dbraw/zinc/83/62/09/372836209.db2.gz RVGFYCNWMNUJNV-UHFFFAOYSA-N -1 3 298.386 3.227 20 30 CGEDHM CCc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c([O-])c1 ZINC000436834430 372840817 /nfs/dbraw/zinc/84/08/17/372840817.db2.gz PBMVQGJSKGMKBK-PXAZEXFGSA-N -1 3 286.375 3.157 20 30 CGEDHM C=CCCN(C)C(=O)c1ccc(OCCCC)cc1[O-] ZINC000436982468 372842643 /nfs/dbraw/zinc/84/26/43/372842643.db2.gz UMOOLTWPMIYVAZ-UHFFFAOYSA-N -1 3 277.364 3.219 20 30 CGEDHM CCS[C@H]1CCC[C@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000176413863 373593434 /nfs/dbraw/zinc/59/34/34/373593434.db2.gz HHVXMZXHDLHWQU-STQKSKDHSA-N -1 3 295.404 3.287 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1SC ZINC000179023130 373830036 /nfs/dbraw/zinc/83/00/36/373830036.db2.gz WOMGGKDMJIHVEW-UHFFFAOYSA-N -1 3 291.825 3.380 20 30 CGEDHM N#Cc1ccccc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000334194141 206174904 /nfs/dbraw/zinc/17/49/04/206174904.db2.gz IXKCFSIXCVTSSA-UHFFFAOYSA-N -1 3 297.261 3.286 20 30 CGEDHM C=CCCC1(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)CC1 ZINC000476563343 375141026 /nfs/dbraw/zinc/14/10/26/375141026.db2.gz ACSXFDHNEBRZDF-UHFFFAOYSA-N -1 3 295.386 3.492 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000493829664 375482105 /nfs/dbraw/zinc/48/21/05/375482105.db2.gz XFWPPMLRVSVNEZ-USKOOLBNSA-N -1 3 261.321 3.039 20 30 CGEDHM N#Cc1cnc(C(=O)[N-]c2c(F)cccc2F)c(Cl)c1 ZINC000336620292 375880330 /nfs/dbraw/zinc/88/03/30/375880330.db2.gz ALKWUAVSAZCEGO-UHFFFAOYSA-N -1 3 293.660 3.137 20 30 CGEDHM C#CC[C@@H]([N-]c1nc(C(C)C)no1)c1ccccc1 ZINC000270253827 378327124 /nfs/dbraw/zinc/32/71/24/378327124.db2.gz SLFUCICYPHPTDK-CYBMUJFWSA-N -1 3 255.321 3.370 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCCCC1CCCC1 ZINC000348122942 378799824 /nfs/dbraw/zinc/79/98/24/378799824.db2.gz PVPYWYOLNVTJCN-UHFFFAOYSA-N -1 3 267.398 3.232 20 30 CGEDHM C=CCCCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000354287901 380386615 /nfs/dbraw/zinc/38/66/15/380386615.db2.gz WJOCCDBBCIXGBN-UHFFFAOYSA-N -1 3 267.756 3.061 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1C[C@H]1c1ccccc1 ZINC000359161343 393539066 /nfs/dbraw/zinc/53/90/66/393539066.db2.gz MJNIYNNKMPIKET-OLZOCXBDSA-N -1 3 287.388 3.066 20 30 CGEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(C#N)cc2F)n1 ZINC000488796592 393555440 /nfs/dbraw/zinc/55/54/40/393555440.db2.gz HFPFHZIUMIUFCO-VIFPVBQESA-N -1 3 289.335 3.355 20 30 CGEDHM C=CCOc1cccc(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000492516466 393747206 /nfs/dbraw/zinc/74/72/06/393747206.db2.gz BILHUYMTGNOXSI-SREVYHEPSA-N -1 3 296.326 3.004 20 30 CGEDHM C=CCCCCCN(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000669049678 543083020 /nfs/dbraw/zinc/08/30/20/543083020.db2.gz YMBNUDRSSKBIQC-UHFFFAOYSA-N -1 3 287.363 3.087 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)c(C)s1 ZINC000047831655 397635344 /nfs/dbraw/zinc/63/53/44/397635344.db2.gz YGGGXLCKPAZHOD-LBPRGKRZSA-N -1 3 256.330 3.250 20 30 CGEDHM Cc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)ccc1[O-] ZINC000354597093 227045078 /nfs/dbraw/zinc/04/50/78/227045078.db2.gz NEGOZYYNXXBQPE-MRXNPFEDSA-N -1 3 294.354 3.476 20 30 CGEDHM C=CCCCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000652483784 418974782 /nfs/dbraw/zinc/97/47/82/418974782.db2.gz PDNJCFOXSMUCTL-UHFFFAOYSA-N -1 3 283.318 3.208 20 30 CGEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)C)cc1 ZINC000272404805 263003933 /nfs/dbraw/zinc/00/39/33/263003933.db2.gz FOZMKPWUYMSLEC-AWEZNQCLSA-N -1 3 280.318 3.141 20 30 CGEDHM C[C@@H](CC#N)N(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294739487 263166787 /nfs/dbraw/zinc/16/67/87/263166787.db2.gz XXYJMBSEJFHJSK-ZDUSSCGKSA-N -1 3 296.370 3.239 20 30 CGEDHM CCOc1cc(CN[C@@H](CC)CC#N)cc(Cl)c1[O-] ZINC000297557862 263206393 /nfs/dbraw/zinc/20/63/93/263206393.db2.gz GZLMAKCGPRUSIQ-NSHDSACASA-N -1 3 282.771 3.226 20 30 CGEDHM CC(C)(C)CC(C)(C)NC(=O)c1csc(=O)[n-]1 ZINC000330966863 264091137 /nfs/dbraw/zinc/09/11/37/264091137.db2.gz IAEHODSRILKKSB-UHFFFAOYSA-N -1 3 256.371 3.368 20 30 CGEDHM COC(=O)c1cnc(SCCCCC(C)(C)C#N)[n-]1 ZINC000278589227 328227644 /nfs/dbraw/zinc/22/76/44/328227644.db2.gz GTUVXEXKGVJNIZ-UHFFFAOYSA-N -1 3 281.381 3.008 20 30 CGEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cscc1C#N ZINC000573212543 322376046 /nfs/dbraw/zinc/37/60/46/322376046.db2.gz KHKFPBDVYARRNU-UHFFFAOYSA-N -1 3 273.317 3.046 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1cc([O-])cc(Br)c1 ZINC000527902032 330293505 /nfs/dbraw/zinc/29/35/05/330293505.db2.gz NOYIBXXTEUXOHF-UHFFFAOYSA-N -1 3 298.180 3.193 20 30 CGEDHM C=CCC1(C(=O)Nc2ccc(C)cc2[O-])CCOCC1 ZINC000424531591 330368167 /nfs/dbraw/zinc/36/81/67/330368167.db2.gz IUKRFANSQUIDTL-UHFFFAOYSA-N -1 3 275.348 3.012 20 30 CGEDHM C=CCOc1ccccc1CNC(=O)c1ccc(C)cc1[O-] ZINC000436846875 330686635 /nfs/dbraw/zinc/68/66/35/330686635.db2.gz YWFBYFQNVUFTOK-UHFFFAOYSA-N -1 3 297.354 3.195 20 30 CGEDHM Cc1nc(C(C)C)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000453590010 331135270 /nfs/dbraw/zinc/13/52/70/331135270.db2.gz OCUXTFRGFDZWRJ-AWEZNQCLSA-N -1 3 279.343 3.399 20 30 CGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000546054904 334014814 /nfs/dbraw/zinc/01/48/14/334014814.db2.gz LRADCPXKJKUKCN-SNVBAGLBSA-N -1 3 291.775 3.112 20 30 CGEDHM C#CCC(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000184837697 518244519 /nfs/dbraw/zinc/24/45/19/518244519.db2.gz GUIVJGVWELCJTL-UHFFFAOYSA-N -1 3 296.164 3.143 20 30 CGEDHM CC#CCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000184837821 519335194 /nfs/dbraw/zinc/33/51/94/519335194.db2.gz SOXLOIIEDJIIQP-UHFFFAOYSA-N -1 3 296.164 3.287 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000332571635 527455203 /nfs/dbraw/zinc/45/52/03/527455203.db2.gz DOXWWKXGZRVODC-CYBMUJFWSA-N -1 3 299.374 3.142 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000332571635 527455208 /nfs/dbraw/zinc/45/52/08/527455208.db2.gz DOXWWKXGZRVODC-CYBMUJFWSA-N -1 3 299.374 3.142 20 30 CGEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354481193 528081623 /nfs/dbraw/zinc/08/16/23/528081623.db2.gz YAMZTXGSXBWOEZ-CQSZACIVSA-N -1 3 265.316 3.090 20 30 CGEDHM CCCCCCCCC(=O)Nc1nnc(SC)[n-]1 ZINC000727486436 571751707 /nfs/dbraw/zinc/75/17/07/571751707.db2.gz LBOVQQURIUPITB-UHFFFAOYSA-N -1 3 270.402 3.216 20 30 CGEDHM CCCCCCCCC(=O)Nc1nc(SC)n[n-]1 ZINC000727486436 571751709 /nfs/dbraw/zinc/75/17/09/571751709.db2.gz LBOVQQURIUPITB-UHFFFAOYSA-N -1 3 270.402 3.216 20 30 CGEDHM CCCCCCCCC(=O)Nc1n[n-]c(SC)n1 ZINC000727486436 571751711 /nfs/dbraw/zinc/75/17/11/571751711.db2.gz LBOVQQURIUPITB-UHFFFAOYSA-N -1 3 270.402 3.216 20 30 CGEDHM CN(C)c1ccc(/C=C2\Cc3c(cccc3[O-])C2=O)cc1F ZINC000727654061 571761221 /nfs/dbraw/zinc/76/12/21/571761221.db2.gz GZNGZOITRHHBBM-XYOKQWHBSA-N -1 3 297.329 3.420 20 30 CGEDHM Cc1ccc2c(c1)[C@H](/N=C\c1ccc(O)c([O-])c1O)CC2 ZINC000730146616 571950898 /nfs/dbraw/zinc/95/08/98/571950898.db2.gz CIDRUDKRYWCGCO-BBSXFRJVSA-N -1 3 283.327 3.218 20 30 CGEDHM Cc1ccc2c(c1)[C@@H](/N=C/c1ccc(O)c([O-])c1O)CC2 ZINC000730146619 571951036 /nfs/dbraw/zinc/95/10/36/571951036.db2.gz CIDRUDKRYWCGCO-RMNBPEERSA-N -1 3 283.327 3.218 20 30 CGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737441488 572343708 /nfs/dbraw/zinc/34/37/08/572343708.db2.gz GILPDZKCSCPYDT-QPJJXVBHSA-N -1 3 296.355 3.133 20 30 CGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737441488 572343714 /nfs/dbraw/zinc/34/37/14/572343714.db2.gz GILPDZKCSCPYDT-QPJJXVBHSA-N -1 3 296.355 3.133 20 30 CGEDHM C#CCOc1cccc(OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000730695266 572368878 /nfs/dbraw/zinc/36/88/78/572368878.db2.gz GLZOAGCUMVVUMF-UHFFFAOYSA-N -1 3 297.335 3.461 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=Nn1cnnc1-c1ccccc1 ZINC000725856289 572447447 /nfs/dbraw/zinc/44/74/47/572447447.db2.gz OVVXIRSEQVOSDM-UHFFFAOYSA-N -1 3 298.733 3.186 20 30 CGEDHM CCO[C@@H]1C[C@@H](/N=C/c2c([O-])cccc2OC)C12CCC2 ZINC000741465361 572500810 /nfs/dbraw/zinc/50/08/10/572500810.db2.gz UUKQCQUKZNWPMM-JDPRVQSZSA-N -1 3 289.375 3.167 20 30 CGEDHM CCCCCC(C=NN1CC(=O)[N-]C1=O)=Cc1ccccc1 ZINC000744807130 572777651 /nfs/dbraw/zinc/77/76/51/572777651.db2.gz LNLBOAFVOKGJHN-WZNXGOTESA-N -1 3 299.374 3.188 20 30 CGEDHM CCC1(C/N=C\c2c([O-])cccc2OC)CCOCC1 ZINC000745977195 572845982 /nfs/dbraw/zinc/84/59/82/572845982.db2.gz QODDGWBSRNFTFV-BOPFTXTBSA-N -1 3 277.364 3.027 20 30 CGEDHM CCOc1ccc(/C=N/CC2(CC)CCOCC2)c([O-])c1 ZINC000745977503 572846020 /nfs/dbraw/zinc/84/60/20/572846020.db2.gz WWVRDLHVPPBNHJ-LDADJPATSA-N -1 3 291.391 3.417 20 30 CGEDHM CCOc1ccc(/C=N\CCOCc2ccccc2)c([O-])c1 ZINC000746816274 572896972 /nfs/dbraw/zinc/89/69/72/572896972.db2.gz QOECIMNEWRJJNI-UYRXBGFRSA-N -1 3 299.370 3.427 20 30 CGEDHM COc1cccc([O-])c1C=NNc1cc(F)c(F)c(F)c1 ZINC000747639119 572938943 /nfs/dbraw/zinc/93/89/43/572938943.db2.gz ZWWHSVGRLDGWHW-UHFFFAOYSA-N -1 3 296.248 3.264 20 30 CGEDHM Cc1cccc2ncc(/C=C3/Cc4c(cccc4[O-])C3=O)n21 ZINC000748999677 572987950 /nfs/dbraw/zinc/98/79/50/572987950.db2.gz SHJYOMVWZRNPIW-WQLSENKSSA-N -1 3 290.322 3.171 20 30 CGEDHM C=CCN(CCc1ccco1)Cc1ccsc1C(=O)[O-] ZINC000833374532 605476823 /nfs/dbraw/zinc/47/68/23/605476823.db2.gz ORIIQVGCPYPKFN-UHFFFAOYSA-N -1 3 291.372 3.270 20 30 CGEDHM COc1cc(C(=O)/C=C\c2cccnc2Cl)ccc1[O-] ZINC000255115054 617931573 /nfs/dbraw/zinc/93/15/73/617931573.db2.gz IQBHUDBVHYRCKR-XQRVVYSFSA-N -1 3 289.718 3.345 20 30 CGEDHM O=C(c1ccccn1)N([O-])Cc1cccc2ccccc21 ZINC000900091860 620761566 /nfs/dbraw/zinc/76/15/66/620761566.db2.gz QGQPILNQZHAHPF-UHFFFAOYSA-N -1 3 278.311 3.266 20 30 CGEDHM CCOc1ccc(N=Cc2ccc(O)c([O-])c2O)c(C)c1 ZINC000255210266 618089698 /nfs/dbraw/zinc/08/96/98/618089698.db2.gz MKOSLMARZZGHMM-UHFFFAOYSA-N -1 3 287.315 3.261 20 30 CGEDHM C=C[C@@H](CC)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000900678560 620806308 /nfs/dbraw/zinc/80/63/08/620806308.db2.gz JMGINAUPUOBWSQ-NSHDSACASA-N -1 3 251.301 3.146 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1ccccn1 ZINC000255721275 618780489 /nfs/dbraw/zinc/78/04/89/618780489.db2.gz LYARXUPLCSNGKV-RXNFCKPNSA-N -1 3 283.718 3.020 20 30 CGEDHM CCCOc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000255894212 618865580 /nfs/dbraw/zinc/86/55/80/618865580.db2.gz BWOIQQAKUFOQJH-UHFFFAOYSA-N -1 3 287.315 3.343 20 30 CGEDHM COC(=O)C1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000106586393 619250002 /nfs/dbraw/zinc/25/00/02/619250002.db2.gz YQFWCYDOYYZQHY-RQZCQDPDSA-N -1 3 295.766 3.196 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CC1(CF)CCOCC1 ZINC000840711029 620128882 /nfs/dbraw/zinc/12/88/82/620128882.db2.gz WCKBVVJGHTWBCY-CAOOACKPSA-N -1 3 285.746 3.231 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/CCC[C@@H]1CCOC1 ZINC000840711822 620140003 /nfs/dbraw/zinc/14/00/03/620140003.db2.gz ZETSFVPYEQOMMK-LKBVRNOZSA-N -1 3 267.756 3.281 20 30 CGEDHM C=CCC1(C(=O)[N-]OCc2cccc(C)n2)CCCC1 ZINC000898930576 620609735 /nfs/dbraw/zinc/60/97/35/620609735.db2.gz KQZGJQUIXHEXNC-UHFFFAOYSA-N -1 3 274.364 3.074 20 30 CGEDHM Cc1cc([O-])c(C=NN[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000901303847 620851607 /nfs/dbraw/zinc/85/16/07/620851607.db2.gz PRTOVAQWQACMPG-ZSBIGDGJSA-N -1 3 296.798 3.234 20 30 CGEDHM CC[C@@H](C)[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372179 620866205 /nfs/dbraw/zinc/86/62/05/620866205.db2.gz UCJOHHABXPZCGV-GHMZBOCLSA-N -1 3 253.317 3.226 20 30 CGEDHM C[C@H](Cc1ccco1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372109 620866244 /nfs/dbraw/zinc/86/62/44/620866244.db2.gz RBSGJBVOIFOWKE-LLVKDONJSA-N -1 3 277.295 3.015 20 30 CGEDHM CCc1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901371897 620866360 /nfs/dbraw/zinc/86/63/60/620866360.db2.gz KJGBHHLVAQRYIL-UHFFFAOYSA-N -1 3 287.334 3.349 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1F ZINC000901372034 620866672 /nfs/dbraw/zinc/86/66/72/620866672.db2.gz NXDPFAJWFIQGAK-NSHDSACASA-N 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FOEISCMOWDAZMB-AAEUAGOBSA-N -1 3 297.782 3.263 20 30 CGEDHM CCCCCCN([O-])C(=O)CSCc1cscn1 ZINC000904204434 621889760 /nfs/dbraw/zinc/88/97/60/621889760.db2.gz LOMDHVAYTKPXDC-UHFFFAOYSA-N -1 3 288.438 3.174 20 30 CGEDHM COc1cc(C=NNc2cc(C)ccn2)cc(Cl)c1[O-] ZINC000755900976 626657465 /nfs/dbraw/zinc/65/74/65/626657465.db2.gz APPGBOYBMIDFRN-UHFFFAOYSA-N -1 3 291.738 3.204 20 30 CGEDHM CCC(CC)(CC)C/N=C/c1c([O-])c(C)ncc1CO ZINC000759115480 626875017 /nfs/dbraw/zinc/87/50/17/626875017.db2.gz BVXSZEMVVFZBLY-RQZCQDPDSA-N -1 3 278.396 3.223 20 30 CGEDHM C[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000769552242 627565393 /nfs/dbraw/zinc/56/53/93/627565393.db2.gz SOAAEYDOVBLTOV-FKTXRZKZSA-N -1 3 253.729 3.032 20 30 CGEDHM CC(C)(C#N)CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000776372018 628199863 /nfs/dbraw/zinc/19/98/63/628199863.db2.gz WXGVFHBNNNCRPF-UHFFFAOYSA-N -1 3 275.135 3.418 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)OCCC(C)(C)C#N)n[n-]2)o1 ZINC000776375819 628200444 /nfs/dbraw/zinc/20/04/44/628200444.db2.gz MQCNIJTVDXAEPR-UHFFFAOYSA-N -1 3 287.319 3.075 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)OCCC(C)(C)C#N)[n-]n2)o1 ZINC000776375819 628200446 /nfs/dbraw/zinc/20/04/46/628200446.db2.gz MQCNIJTVDXAEPR-UHFFFAOYSA-N -1 3 287.319 3.075 20 30 CGEDHM O=C1c2cccc([O-])c2C/C1=C\c1ccc([N+](=O)[O-])cc1F ZINC000777914587 628310518 /nfs/dbraw/zinc/31/05/18/628310518.db2.gz AXJORZSEYJBLEX-UXBLZVDNSA-N -1 3 299.257 3.262 20 30 CGEDHM COc1cc(C=NNc2ccnc(F)c2)cc(Cl)c1[O-] ZINC000781128172 628538514 /nfs/dbraw/zinc/53/85/14/628538514.db2.gz SHSFXNPQAVCOPK-UHFFFAOYSA-N -1 3 295.701 3.034 20 30 CGEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)[C@H]1CCCO1 ZINC000863129643 629481339 /nfs/dbraw/zinc/48/13/39/629481339.db2.gz WALULTFUKPXSQF-GFCCVEGCSA-N -1 3 288.376 3.259 20 30 CGEDHM C[C@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CCO1 ZINC000863128728 629481573 /nfs/dbraw/zinc/48/15/73/629481573.db2.gz QAMOOMNHHYDIBX-VIFPVBQESA-N -1 3 288.376 3.259 20 30 CGEDHM N#CC[C@H](CC(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000793886157 629506867 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/nfs/dbraw/zinc/25/67/20/630256720.db2.gz XDLYWUXDKBKPEP-UHFFFAOYSA-N -1 3 277.299 3.000 20 30 CGEDHM C=CCCc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000800592341 630293450 /nfs/dbraw/zinc/29/34/50/630293450.db2.gz PYHALXWTYLYOEJ-UHFFFAOYSA-N -1 3 283.327 3.469 20 30 CGEDHM CC1(C)SC[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000801645722 630349137 /nfs/dbraw/zinc/34/91/37/630349137.db2.gz FPOZXCSTYXFYRY-RZBIUYHXSA-N -1 3 255.770 3.359 20 30 CGEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000802048865 630375493 /nfs/dbraw/zinc/37/54/93/630375493.db2.gz LSYRNWJBLABXNZ-LBPRGKRZSA-N -1 3 291.310 3.330 20 30 CGEDHM O=C1NCc2c1cccc2N=Cc1cc(Cl)ccc1[O-] ZINC000804597734 630541593 /nfs/dbraw/zinc/54/15/93/630541593.db2.gz DSPNYDFTBARGKI-UHFFFAOYSA-N -1 3 286.718 3.040 20 30 CGEDHM C#C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000810642209 630915423 /nfs/dbraw/zinc/91/54/23/630915423.db2.gz KYCPFBNBPBJGLD-SNVBAGLBSA-N -1 3 279.748 3.451 20 30 CGEDHM C#CCC1(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)CCC1 ZINC000810749792 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C[C@H]1CCN(C(=O)c2coc(C#N)c2)c2c([O-])cccc21 ZINC000867455429 633246193 /nfs/dbraw/zinc/24/61/93/633246193.db2.gz HYDRSJSPIWRYEW-JTQLQIEISA-N -1 3 282.299 3.011 20 30 CGEDHM Cc1cc([O-])c(CN2CCC[C@](C)(C#N)C2)cc1Cl ZINC000825498084 633358615 /nfs/dbraw/zinc/35/86/15/633358615.db2.gz UMEDULYELVSSSR-OAHLLOKOSA-N -1 3 278.783 3.480 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1csc2sc(C)cc12 ZINC000869153613 633409505 /nfs/dbraw/zinc/40/95/05/633409505.db2.gz DIQMELUEDVJVAT-MRVPVSSYSA-N -1 3 281.402 3.436 20 30 CGEDHM COc1cc(C(=O)/C=C/c2cccs2)c(OC)cc1[O-] ZINC000122523441 633432116 /nfs/dbraw/zinc/43/21/16/633432116.db2.gz ZCOYIZMTVMTXHD-AATRIKPKSA-N -1 3 290.340 3.367 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C2=CCC(C)(C)CC2)nc(C)n1 ZINC000835058657 634341061 /nfs/dbraw/zinc/34/10/61/634341061.db2.gz AAJDXFHAMXSSRD-AWEZNQCLSA-N -1 3 283.375 3.406 20 30 CGEDHM CC(C)(C)C#CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000837487477 634918748 /nfs/dbraw/zinc/91/87/48/634918748.db2.gz JNLQBZSKQNKSJU-UHFFFAOYSA-N -1 3 299.292 3.303 20 30 CGEDHM CCO[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000840708944 635037771 /nfs/dbraw/zinc/03/77/71/635037771.db2.gz GDPNEDNDBDCRRF-QZHSRMNUSA-N -1 3 267.756 3.422 20 30 CGEDHM C=CCCCCSCCC[N-]C(=O)C(F)(F)F ZINC000842190196 635310157 /nfs/dbraw/zinc/31/01/57/635310157.db2.gz GXLOLBCPJSQYKJ-UHFFFAOYSA-N -1 3 269.332 3.145 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)CCCCC2 ZINC000844488753 635916497 /nfs/dbraw/zinc/91/64/97/635916497.db2.gz CAXMLSVSFRCPIE-SECBINFHSA-N -1 3 281.381 3.040 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCCCc1cccs1 ZINC000846545115 636197200 /nfs/dbraw/zinc/19/72/00/636197200.db2.gz MDHPNMIKNJPGAR-GFCCVEGCSA-N -1 3 267.394 3.473 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccc(C)s1 ZINC000846545942 636198347 /nfs/dbraw/zinc/19/83/47/636198347.db2.gz KKPXKYPMEVQXSG-SNVBAGLBSA-N -1 3 253.367 3.002 20 30 CGEDHM CC(C)(C)C#CC(=O)Nc1c([O-])cccc1Cl ZINC000848139735 636533611 /nfs/dbraw/zinc/53/36/11/636533611.db2.gz CCCMSXQODKFQOR-UHFFFAOYSA-N -1 3 251.713 3.034 20 30 CGEDHM C#C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000848923743 636695480 /nfs/dbraw/zinc/69/54/80/636695480.db2.gz IZOGSAXRKOLLTK-JTQLQIEISA-N -1 3 267.731 3.030 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1COC2(CCC2)C1 ZINC000849171705 636763500 /nfs/dbraw/zinc/76/35/00/636763500.db2.gz DWQHFXGLJCVLLF-WIJRQFRKSA-N -1 3 265.740 3.176 20 30 CGEDHM C[C@@H]1CCC[C@H](C/N=C/c2cc(Cl)ccc2[O-])O1 ZINC000849172153 636765120 /nfs/dbraw/zinc/76/51/20/636765120.db2.gz MZPGMFYQADZZNP-FKFOHENYSA-N -1 3 267.756 3.422 20 30 CGEDHM C[C@@]1(C/N=C/c2cc(Cl)ccc2[O-])CCCO1 ZINC000132417171 636807360 /nfs/dbraw/zinc/80/73/60/636807360.db2.gz GQEIPWQCAPCLSM-LIOBOASVSA-N -1 3 253.729 3.034 20 30 CGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)CC)c1ccc(Cl)cc1 ZINC000854528692 638066355 /nfs/dbraw/zinc/06/63/55/638066355.db2.gz UWZPGPWMPBEECJ-LLVKDONJSA-N -1 3 271.694 3.176 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1ccc(C(C)C)cc1 ZINC000856030709 638287433 /nfs/dbraw/zinc/28/74/33/638287433.db2.gz NFTNRGIOQUWWBQ-UHFFFAOYSA-N -1 3 261.365 3.367 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000856031049 638287519 /nfs/dbraw/zinc/28/75/19/638287519.db2.gz CGXFVAGJHDCLKU-OAHLLOKOSA-N -1 3 261.365 3.440 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(Cl)c(F)c1 ZINC000862133267 639649894 /nfs/dbraw/zinc/64/98/94/639649894.db2.gz WCXWGBSAKPYNLM-VIFPVBQESA-N -1 3 271.719 3.034 20 30 CGEDHM C[C@H]1CC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001161807692 806459037 /nfs/dbraw/zinc/45/90/37/806459037.db2.gz NCGPZNIZVOGGSD-QWRGUYRKSA-N -1 3 267.756 3.494 20 30 CGEDHM CCCCCCN([O-])C(=O)CCCn1cccc1 ZINC001161827248 806466693 /nfs/dbraw/zinc/46/66/93/806466693.db2.gz ZJBSVPWTOONGPZ-UHFFFAOYSA-N -1 3 252.358 3.066 20 30 CGEDHM C=CCCC[C@H](NCc1cc(C(=O)[O-])n[nH]1)c1ccccc1 ZINC001119603149 802682564 /nfs/dbraw/zinc/68/25/64/802682564.db2.gz ISUFLDHGIFQART-HNNXBMFYSA-N -1 3 299.374 3.295 20 30 CGEDHM Cc1c(C)c(-c2ccc(/C=N/[O-])c(F)c2)ccc1CO ZINC001204992145 812813623 /nfs/dbraw/zinc/81/36/23/812813623.db2.gz 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823051003 /nfs/dbraw/zinc/05/10/03/823051003.db2.gz BGXZTWYRZSVGPF-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM CN(Cc1cc(C#N)cs1)Cc1c(F)ccc([O-])c1F ZINC001207685805 813635063 /nfs/dbraw/zinc/63/50/63/813635063.db2.gz YDKUGCQVBZZRPI-UHFFFAOYSA-N -1 3 294.326 3.236 20 30 CGEDHM COc1cc(C#N)ccc1Nc1cc(F)c(F)cc1[O-] ZINC001209434263 814035041 /nfs/dbraw/zinc/03/50/41/814035041.db2.gz YKEQGVDZDAFFSK-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM N#Cc1cnc(Nc2ccc(F)cc2[O-])c(Cl)c1 ZINC001210015122 814243894 /nfs/dbraw/zinc/24/38/94/814243894.db2.gz VZQVAXSOODMEPP-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM N#Cc1cc(C(F)(F)F)cc(-c2cc([O-])ccc2F)n1 ZINC001242761373 823124450 /nfs/dbraw/zinc/12/44/50/823124450.db2.gz XYGDOLYDGOSGOO-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM N#Cc1cc(-c2cc([O-])cc(OC(F)(F)F)c2)cnc1F ZINC001242990494 823200221 /nfs/dbraw/zinc/20/02/21/823200221.db2.gz ZZVDZVFQVSJPGR-UHFFFAOYSA-N -1 3 298.195 3.364 20 30 CGEDHM COc1ccc(O)cc1-c1cc(/C=N/[O-])ccc1F ZINC001222640376 816488673 /nfs/dbraw/zinc/48/86/73/816488673.db2.gz YTUHDUUODNVUIE-LZYBPNLTSA-N -1 3 261.252 3.015 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)CCc2ccccc2)[n-]1 ZINC001225470335 817063920 /nfs/dbraw/zinc/06/39/20/817063920.db2.gz VMLHTKGDTYBJSM-CYBMUJFWSA-N -1 3 282.343 3.367 20 30 CGEDHM C=C[C@H](Oc1cc(COC)nc(=S)[n-]1)c1ccccc1 ZINC001225936421 817223910 /nfs/dbraw/zinc/22/39/10/817223910.db2.gz AIKBYSXXNOIUIP-ZDUSSCGKSA-N -1 3 288.372 3.218 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@H](C)C#C[Si](C)(C)C)c1 ZINC001225992815 817241337 /nfs/dbraw/zinc/24/13/37/817241337.db2.gz CBRGEDZXOQUHAU-LLVKDONJSA-N -1 3 276.408 3.243 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@@H](C#N)c2cccc(F)c2)c1 ZINC001225993648 817242266 /nfs/dbraw/zinc/24/22/66/817242266.db2.gz JCOYCWOXSDCVHB-INIZCTEOSA-N -1 3 285.274 3.378 20 30 CGEDHM COC(=O)c1ccc(F)cc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001243123507 823254313 /nfs/dbraw/zinc/25/43/13/823254313.db2.gz KKZDAHPZLYMGJE-VCHYOVAHSA-N -1 3 287.290 3.478 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2ccnc(=S)[n-]2)C1 ZINC001226939880 817511765 /nfs/dbraw/zinc/51/17/65/817511765.db2.gz JWCJQFUGYAYQKF-NWDGAFQWSA-N -1 3 262.378 3.445 20 30 CGEDHM C#C[C@@H](Oc1c([O-])cc(Br)cc1F)C(C)C ZINC001227591519 817678146 /nfs/dbraw/zinc/67/81/46/817678146.db2.gz WQPDTWNZNGDLEU-LLVKDONJSA-N -1 3 287.128 3.330 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227823937 817727017 /nfs/dbraw/zinc/72/70/17/817727017.db2.gz ACUNDYIUKKPBBY-NSHDSACASA-N -1 3 279.336 3.088 20 30 CGEDHM C[C@@H](CS)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228347652 817884152 /nfs/dbraw/zinc/88/41/52/817884152.db2.gz UDYRXXVGNJDRMS-VIFPVBQESA-N -1 3 278.402 3.129 20 30 CGEDHM CCN(CCC#N)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231525150 818120840 /nfs/dbraw/zinc/12/08/40/818120840.db2.gz XORZPSKJVKTQRL-UHFFFAOYSA-N -1 3 272.270 3.147 20 30 CGEDHM N#CC1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415552 818613928 /nfs/dbraw/zinc/61/39/28/818613928.db2.gz AMVDABRTDFWJST-UHFFFAOYSA-N -1 3 284.281 3.147 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@H]1CC(F)(F)C1(F)F ZINC001233531993 818635275 /nfs/dbraw/zinc/63/52/75/818635275.db2.gz ZRKFBXIYOWVWGA-NSHDSACASA-N -1 3 287.212 3.205 20 30 CGEDHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CC[C@H](C#N)C1 ZINC001233591982 818651989 /nfs/dbraw/zinc/65/19/89/818651989.db2.gz ITEZYJFEVFNYLG-VHSXEESVSA-N -1 3 251.713 3.425 20 30 CGEDHM N#CC[C@H](Oc1ccc2occ([O-])c2c1)c1ccccc1 ZINC001233677901 818676943 /nfs/dbraw/zinc/67/69/43/818676943.db2.gz POJGNLDSPXPLBJ-INIZCTEOSA-N -1 3 279.295 3.295 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)COC(C)(C)C ZINC001233799586 818707489 /nfs/dbraw/zinc/70/74/89/818707489.db2.gz LUZUULWCFCQWBQ-UJFYRASASA-N -1 3 281.352 3.086 20 30 CGEDHM N#Cc1cc([O-])cc(OC[C@H]2CCc3ccccc3O2)c1 ZINC001234139028 818788573 /nfs/dbraw/zinc/78/85/73/818788573.db2.gz DZGZIPMFBITYCG-OAHLLOKOSA-N -1 3 281.311 3.036 20 30 CGEDHM N#Cc1cc([O-])cc(OC2CCN(c3ccccc3)CC2)c1 ZINC001234144407 818790701 /nfs/dbraw/zinc/79/07/01/818790701.db2.gz NIWVOKVDEFXYAW-UHFFFAOYSA-N -1 3 294.354 3.312 20 30 CGEDHM COc1ccc(OC[C@H](C)Oc2cc([O-])cc(C#N)c2)cc1 ZINC001234144549 818790973 /nfs/dbraw/zinc/79/09/73/818790973.db2.gz PUAXHKQNRCJJBB-LBPRGKRZSA-N -1 3 299.326 3.119 20 30 CGEDHM Cc1ccc([C@H](C)Oc2cc([O-])cc(C#N)c2)cn1 ZINC001234144062 818791248 /nfs/dbraw/zinc/79/12/48/818791248.db2.gz IQASSNOEZVNFKK-NSHDSACASA-N -1 3 254.289 3.107 20 30 CGEDHM CC#C[C@H](CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690856 818916874 /nfs/dbraw/zinc/91/68/74/818916874.db2.gz GEKSZIHVVMKGGR-ZDUSSCGKSA-N -1 3 268.316 3.030 20 30 CGEDHM C#C[C@H]1CCC[C@@H]1Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234793830 818923709 /nfs/dbraw/zinc/92/37/09/818923709.db2.gz VOLDORBDPLZUPP-JSGCOSHPSA-N -1 3 288.343 3.093 20 30 CGEDHM N#Cc1cc(-c2ccc3c(c2)CC/C3=N/[O-])ccc1F ZINC001235895734 819205313 /nfs/dbraw/zinc/20/53/13/819205313.db2.gz QJWDJFPBTFFSJZ-MNDPQUGUSA-N -1 3 266.275 3.489 20 30 CGEDHM N#Cc1cnc2ccc(-c3cc([O-])cc(Cl)c3)cn12 ZINC001235906555 819216043 /nfs/dbraw/zinc/21/60/43/819216043.db2.gz MOAMQJAKIBKRBG-UHFFFAOYSA-N -1 3 269.691 3.232 20 30 CGEDHM CN(Cc1sc(=O)[n-]c1Cl)Cc1cccc(C#N)c1 ZINC001237170501 819688207 /nfs/dbraw/zinc/68/82/07/819688207.db2.gz YASPYGDKCHZZNT-UHFFFAOYSA-N -1 3 293.779 3.006 20 30 CGEDHM CN(C)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001240986622 821469170 /nfs/dbraw/zinc/46/91/70/821469170.db2.gz PXQSNMFEWNDFDD-LICLKQGHSA-N -1 3 258.296 3.367 20 30 CGEDHM N#CCOc1ccccc1-c1c(F)ccc([O-])c1F ZINC001241292851 821710492 /nfs/dbraw/zinc/71/04/92/821710492.db2.gz KJQUSVFPQAEYMM-UHFFFAOYSA-N -1 3 261.227 3.240 20 30 CGEDHM [O-]c1cc(F)ccc1-c1ccc2c(c1)CC/C2=N/O ZINC001242219018 822915402 /nfs/dbraw/zinc/91/54/02/822915402.db2.gz HCODALVJLFLHTP-VKAVYKQESA-N -1 3 257.264 3.323 20 30 CGEDHM COc1ccc(CC#N)cc1-c1cccc(F)c1[O-] ZINC001242351849 822962127 /nfs/dbraw/zinc/96/21/27/822962127.db2.gz XMXCYKXMMJOTND-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM N#CC(=C([O-])c1csc(Cl)c1)c1cccc(F)n1 ZINC001347173401 936872794 /nfs/dbraw/zinc/87/27/94/936872794.db2.gz ZIMQKQAPGHHQOO-QMMMGPOBSA-N -1 3 280.711 3.426 20 30 CGEDHM CCCCN([O-])C(=O)CCCOc1cccc(C)c1 ZINC001458009828 937448378 /nfs/dbraw/zinc/44/83/78/937448378.db2.gz HCIGRUDYDPSIRN-UHFFFAOYSA-N -1 3 265.353 3.172 20 30 CGEDHM C/C=C\COc1cccc(CC(=O)N([O-])CCCC)c1 ZINC001458023049 937449085 /nfs/dbraw/zinc/44/90/85/937449085.db2.gz KTPPXXQHHHRUHY-XQRVVYSFSA-N -1 3 277.364 3.202 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001458026520 937449388 /nfs/dbraw/zinc/44/93/88/937449388.db2.gz ZFVWORIVAVYJJS-KGLIPLIRSA-N -1 3 265.328 3.337 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001161833028 931987157 /nfs/dbraw/zinc/98/71/57/931987157.db2.gz XWHWSZPDOSHHOO-CYBMUJFWSA-N -1 3 253.317 3.337 20 30 CGEDHM C=CC(C=C)Oc1nc(=S)[n-]c2sccc21 ZINC001229568480 932173289 /nfs/dbraw/zinc/17/32/89/932173289.db2.gz GEJPCDJGOHMFBF-UHFFFAOYSA-N -1 3 250.348 3.099 20 30 CGEDHM C=C[C@@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229570106 932173786 /nfs/dbraw/zinc/17/37/86/932173786.db2.gz PIMMJCYBMRVXLU-ZETCQYMHSA-N -1 3 252.364 3.323 20 30 CGEDHM N#Cc1cscc1C(=O)N([O-])Cc1ccccc1Cl ZINC001306894121 932763630 /nfs/dbraw/zinc/76/36/30/932763630.db2.gz GRENYXALLHTQSR-UHFFFAOYSA-N -1 3 292.747 3.305 20 30 CGEDHM CO[C@@H]1CCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306895899 932891083 /nfs/dbraw/zinc/89/10/83/932891083.db2.gz AITIQRWJVMWQMT-HZPDHXFCSA-N -1 3 291.391 3.042 20 30 CGEDHM COc1cc(C=NOC(C)(C)C)cc(Cl)c1[O-] ZINC001319804169 933934418 /nfs/dbraw/zinc/93/44/18/933934418.db2.gz ZDOUXFMSMOKGTQ-UHFFFAOYSA-N -1 3 257.717 3.203 20 30 CGEDHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC001469273236 937737694 /nfs/dbraw/zinc/73/76/94/937737694.db2.gz HFXIQJIAVNIPSS-CYBMUJFWSA-N -1 3 294.354 3.406 20 30 CGEDHM CCCCCCN([O-])C(=O)CCCC(=O)OC(C)(C)C ZINC001472621365 937778509 /nfs/dbraw/zinc/77/85/09/937778509.db2.gz RIINGZZHUTZNMS-UHFFFAOYSA-N -1 3 287.400 3.297 20 30 CGEDHM O=C(CCc1ccco1)N([O-])CCCCc1ccccc1 ZINC001472620123 937778654 /nfs/dbraw/zinc/77/86/54/937778654.db2.gz PUBMIXWIJLMDBP-UHFFFAOYSA-N -1 3 287.359 3.453 20 30 CGEDHM C=CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001475769713 937885251 /nfs/dbraw/zinc/88/52/51/937885251.db2.gz QLUGXAJMEKYXNC-UHFFFAOYSA-N -1 3 294.203 3.236 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)C1CCCC1 ZINC001559037018 938219258 /nfs/dbraw/zinc/21/92/58/938219258.db2.gz GFHRNMDTBVFLPO-NSHDSACASA-N -1 3 265.328 3.370 20 30 CGEDHM C=C(C)CCSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588424080 963267375 /nfs/dbraw/zinc/26/73/75/963267375.db2.gz FZVHDJYBWRYKLO-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C=C(C)CCSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588424080 963267386 /nfs/dbraw/zinc/26/73/86/963267386.db2.gz FZVHDJYBWRYKLO-UHFFFAOYSA-N -1 3 290.392 3.075 20 30 CGEDHM C=C[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588527119 963280271 /nfs/dbraw/zinc/28/02/71/963280271.db2.gz BXDZBIHHHPJZPG-SNVBAGLBSA-N -1 3 289.770 3.065 20 30 CGEDHM C=C[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588527119 963280279 /nfs/dbraw/zinc/28/02/79/963280279.db2.gz BXDZBIHHHPJZPG-SNVBAGLBSA-N -1 3 289.770 3.065 20 30 CGEDHM C=CCCC[C@@H](C)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001588594983 963285169 /nfs/dbraw/zinc/28/51/69/963285169.db2.gz XFXJTUWTFIPKDQ-SNVBAGLBSA-N -1 3 275.331 3.163 20 30 CGEDHM C=CCCC[C@@H](C)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001588594983 963285181 /nfs/dbraw/zinc/28/51/81/963285181.db2.gz XFXJTUWTFIPKDQ-SNVBAGLBSA-N -1 3 275.331 3.163 20 30 CGEDHM C=CCCSc1cccc(-c2nnn[n-]2)c1Cl ZINC001588620954 963294350 /nfs/dbraw/zinc/29/43/50/963294350.db2.gz OBEDHHNIPQVITE-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM C=CCCSc1cccc(-c2nn[n-]n2)c1Cl ZINC001588620954 963294360 /nfs/dbraw/zinc/29/43/60/963294360.db2.gz OBEDHHNIPQVITE-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001588786656 963317718 /nfs/dbraw/zinc/31/77/18/963317718.db2.gz QSWZCNPPFDCSID-VXGBXAGGSA-N -1 3 277.364 3.486 20 30 CGEDHM CN(Cc1cccc(C(=O)[O-])c1C#N)C[C@H]1CC=CCC1 ZINC001598525225 992710794 /nfs/dbraw/zinc/71/07/94/992710794.db2.gz AMWSTIASFOIMTN-ZDUSSCGKSA-N -1 3 284.359 3.045 20 30 CGEDHM C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241099 994434882 /nfs/dbraw/zinc/43/48/82/994434882.db2.gz VWHFDCFPDKRKHQ-LLVKDONJSA-N -1 3 290.363 3.071 20 30 CGEDHM Cc1nc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)co1 ZINC000590996731 346893760 /nfs/dbraw/zinc/89/37/60/346893760.db2.gz JZLAKPRTDQECEI-UHFFFAOYSA-N -1 3 289.360 3.466 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)c1 ZINC000041574097 344971985 /nfs/dbraw/zinc/97/19/85/344971985.db2.gz APWVTSGEXCCVHO-HNNXBMFYSA-N -1 3 279.343 3.200 20 30 CGEDHM CCOc1cccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000077527787 345575905 /nfs/dbraw/zinc/57/59/05/345575905.db2.gz FSRKJSADMBCFRN-UHFFFAOYSA-N -1 3 298.302 3.100 20 30 CGEDHM CCOc1cccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000077527787 345575909 /nfs/dbraw/zinc/57/59/09/345575909.db2.gz FSRKJSADMBCFRN-UHFFFAOYSA-N -1 3 298.302 3.100 20 30 CGEDHM CCOc1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000077527787 345575914 /nfs/dbraw/zinc/57/59/14/345575914.db2.gz FSRKJSADMBCFRN-UHFFFAOYSA-N -1 3 298.302 3.100 20 30 CGEDHM CCOc1cc(-c2noc(CCCCC#N)n2)ccc1[O-] ZINC000594546041 347191789 /nfs/dbraw/zinc/19/17/89/347191789.db2.gz UOKOAJHZTSWUSJ-UHFFFAOYSA-N -1 3 287.319 3.077 20 30 CGEDHM N#CC[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000597907498 347603420 /nfs/dbraw/zinc/60/34/20/347603420.db2.gz BYRDRSUHLWVGDA-CYBMUJFWSA-N -1 3 298.386 3.037 20 30 CGEDHM N#Cc1csc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000352007629 219286834 /nfs/dbraw/zinc/28/68/34/219286834.db2.gz LSNGGCIVXHRMNH-ONEGZZNKSA-N -1 3 269.329 3.163 20 30 CGEDHM CCc1ccc(F)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000633899157 351393020 /nfs/dbraw/zinc/39/30/20/351393020.db2.gz DQWISYZVHLNEFW-HNNXBMFYSA-N -1 3 297.333 3.285 20 30 CGEDHM CSc1ccccc1[N-]C(=O)c1ccc(C#N)o1 ZINC000336378281 213232836 /nfs/dbraw/zinc/23/28/36/213232836.db2.gz SDEFVSWWQAZJPC-UHFFFAOYSA-N -1 3 258.302 3.125 20 30 CGEDHM N#CCCN(Cc1c([O-])cccc1Cl)CC1CC1 ZINC000119098911 370644320 /nfs/dbraw/zinc/64/43/20/370644320.db2.gz YHSKODQJDOYPJE-UHFFFAOYSA-N -1 3 264.756 3.171 20 30 CGEDHM CCCCn1ncc(C([O-])=C(C#N)c2ccccn2)c1CC ZINC000429096027 372314483 /nfs/dbraw/zinc/31/44/83/372314483.db2.gz CESIQFVRDMTUCG-ZDUSSCGKSA-N -1 3 296.374 3.131 20 30 CGEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000433295207 372585982 /nfs/dbraw/zinc/58/59/82/372585982.db2.gz COANHFCOVAHKLG-CQSZACIVSA-N -1 3 280.327 3.103 20 30 CGEDHM C=CCCCCCN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000449912644 373968003 /nfs/dbraw/zinc/96/80/03/373968003.db2.gz GKXVSMOIIJVQDX-UHFFFAOYSA-N -1 3 279.355 3.279 20 30 CGEDHM C=CC[C@H](C)NCc1cccc([O-])c1Br ZINC000314936781 374323457 /nfs/dbraw/zinc/32/34/57/374323457.db2.gz AROUXBLJQGOEHB-VIFPVBQESA-N -1 3 270.170 3.209 20 30 CGEDHM C[C@H](C[C@H]1CCCO1)NC(=O)c1cc([O-])ccc1Cl ZINC000330471066 374468904 /nfs/dbraw/zinc/46/89/04/374468904.db2.gz WYTJWAHLFQEKGJ-MWLCHTKSSA-N -1 3 283.755 3.308 20 30 CGEDHM O=C(N[C@H](CO)CC1CCCC1)c1cc([O-])ccc1Cl ZINC000330534586 374477717 /nfs/dbraw/zinc/47/77/17/374477717.db2.gz INUMLWALMHCYPN-NSHDSACASA-N -1 3 297.782 3.291 20 30 CGEDHM Cc1csc([N-]C(=O)c2c(F)cccc2F)c1C#N ZINC000334369487 374689781 /nfs/dbraw/zinc/68/97/81/374689781.db2.gz UQKDKKDEOYTWBB-UHFFFAOYSA-N -1 3 278.283 3.459 20 30 CGEDHM N#Cc1cc(F)cc(C2(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000335941254 375556128 /nfs/dbraw/zinc/55/61/28/375556128.db2.gz HJCLYWVCJRZYEX-UHFFFAOYSA-N -1 3 296.301 3.073 20 30 CGEDHM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000192195698 375710224 /nfs/dbraw/zinc/71/02/24/375710224.db2.gz GFVMZQMUNMSNTK-AWEZNQCLSA-N -1 3 295.342 3.064 20 30 CGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000514865347 375807152 /nfs/dbraw/zinc/80/71/52/375807152.db2.gz HXTWCXCTHQRXDL-UHFFFAOYSA-N -1 3 292.360 3.114 20 30 CGEDHM N#Cc1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)cc1 ZINC000193237742 375843767 /nfs/dbraw/zinc/84/37/67/375843767.db2.gz IKPOEPDPVHZHFU-UHFFFAOYSA-N -1 3 292.338 3.069 20 30 CGEDHM C=C1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000533417726 375955578 /nfs/dbraw/zinc/95/55/78/375955578.db2.gz LCSQKVLXPQXQLH-UHFFFAOYSA-N -1 3 295.342 3.234 20 30 CGEDHM CCC(C#N)(CC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000528874733 375913210 /nfs/dbraw/zinc/91/32/10/375913210.db2.gz GWHVJSBHJOKMBH-UHFFFAOYSA-N -1 3 266.728 3.314 20 30 CGEDHM N#Cc1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000336887306 376018423 /nfs/dbraw/zinc/01/84/23/376018423.db2.gz CWDWQFFUGOZJJU-UHFFFAOYSA-N -1 3 272.735 3.207 20 30 CGEDHM Cc1ccc(C#N)cc1NCc1cc([O-])cc(F)c1 ZINC000223124674 376245520 /nfs/dbraw/zinc/24/55/20/376245520.db2.gz UHSNSLHANNBGDY-UHFFFAOYSA-N -1 3 256.280 3.324 20 30 CGEDHM C=CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1OC ZINC000339116471 376690482 /nfs/dbraw/zinc/69/04/82/376690482.db2.gz MLBSGUKRSNCWQP-SOFGYWHQSA-N -1 3 298.342 3.234 20 30 CGEDHM N#CC(=C([O-])c1cc(F)c2ccccc2c1)c1ccncn1 ZINC000345998322 378433508 /nfs/dbraw/zinc/43/35/08/378433508.db2.gz VIRPBIDNKAQDGM-AWEZNQCLSA-N -1 3 291.285 3.259 20 30 CGEDHM Cc1ccc(C(=O)N(CCC#N)CCC(C)C)c([O-])c1 ZINC000271309381 378489019 /nfs/dbraw/zinc/48/90/19/378489019.db2.gz SDZQYPNNMZCNFL-UHFFFAOYSA-N -1 3 274.364 3.103 20 30 CGEDHM C=CCC(CC=C)C(=O)N1CCCc2cccc([O-])c21 ZINC000272452342 378639710 /nfs/dbraw/zinc/63/97/10/378639710.db2.gz JPZUCXZZLPUOTC-UHFFFAOYSA-N -1 3 271.360 3.440 20 30 CGEDHM CC#CCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274341901 378815219 /nfs/dbraw/zinc/81/52/19/378815219.db2.gz DWQQVFVYMVSJES-CYBMUJFWSA-N -1 3 271.360 3.426 20 30 CGEDHM N#CCSCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000350576784 379565002 /nfs/dbraw/zinc/56/50/02/379565002.db2.gz IOHLUTHMEPCLPR-UHFFFAOYSA-N -1 3 297.339 3.352 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2nc(C)oc2C)s1 ZINC000334804394 207106805 /nfs/dbraw/zinc/10/68/05/207106805.db2.gz BFLUATILUFJSBZ-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM N#CC(=C([O-])c1ccoc1)c1nccc2ccccc21 ZINC000361540294 381791863 /nfs/dbraw/zinc/79/18/63/381791863.db2.gz IVFWTGHBXKOSQS-CQSZACIVSA-N -1 3 262.268 3.318 20 30 CGEDHM CCC(CC)CN(CCC#N)Cc1nc(C)ccc1[O-] ZINC000093100984 392234483 /nfs/dbraw/zinc/23/44/83/392234483.db2.gz KBCBDYQCFXYLBD-UHFFFAOYSA-N -1 3 275.396 3.248 20 30 CGEDHM CC(C)c1cc(C(=O)N[C@@H](C)C#N)c([O-])c(C(C)C)c1 ZINC000094062335 392241009 /nfs/dbraw/zinc/24/10/09/392241009.db2.gz WIEWYHVLLXEUMV-NSHDSACASA-N -1 3 274.364 3.281 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)C2(C#N)CCC2)c([O-])c1 ZINC000334483825 392730265 /nfs/dbraw/zinc/73/02/65/392730265.db2.gz YSPZIOMGWFTBED-UHFFFAOYSA-N -1 3 272.348 3.322 20 30 CGEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccn1C(C)C ZINC000344722102 393048302 /nfs/dbraw/zinc/04/83/02/393048302.db2.gz IOHIMRHAQCBDKF-OAHLLOKOSA-N -1 3 296.374 3.274 20 30 CGEDHM CCOc1ccc(/C=N/CC(C)(C)SC)c([O-])c1 ZINC000743503562 572667700 /nfs/dbraw/zinc/66/77/00/572667700.db2.gz XHWUOHPZZZGXCA-OQLLNIDSSA-N -1 3 267.394 3.351 20 30 CGEDHM N#Cc1c(F)cccc1NCc1ccc([O-])c(F)c1 ZINC000078020068 165126623 /nfs/dbraw/zinc/12/66/23/165126623.db2.gz XZBUDTCUUSHMSA-UHFFFAOYSA-N -1 3 260.243 3.154 20 30 CGEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2=O)c1ccccn1 ZINC000344739412 225146900 /nfs/dbraw/zinc/14/69/00/225146900.db2.gz NJLCIUZJFHOADU-HNNXBMFYSA-N -1 3 290.322 3.091 20 30 CGEDHM CC1(C)Cc2cccc(C([O-])=C(C#N)c3ccccn3)c2O1 ZINC000654969684 419012069 /nfs/dbraw/zinc/01/20/69/419012069.db2.gz AYBVZBRYGQRCDD-AWEZNQCLSA-N -1 3 292.338 3.285 20 30 CGEDHM C[C@@H](/N=C/c1c([O-])ccc2ccccc21)[C@@H]1CCOC1 ZINC000280967401 263065463 /nfs/dbraw/zinc/06/54/63/263065463.db2.gz IWLDKTVCPQLFGA-OSFMFMGJSA-N -1 3 269.344 3.389 20 30 CGEDHM [O-]c1ccccc1/C=N/[C@@H]1CCCC12CCOCC2 ZINC000282380655 263076329 /nfs/dbraw/zinc/07/63/29/263076329.db2.gz ACCQQSZMHJHRHB-YHZJOHHESA-N -1 3 259.349 3.160 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/C[C@@H]2CCCC(F)(F)C2)c1O ZINC000283914880 263084827 /nfs/dbraw/zinc/08/48/27/263084827.db2.gz VCUGMBIDPYABPP-YFEDRJBBSA-N -1 3 285.290 3.048 20 30 CGEDHM CC(C)(C#N)c1ccc(NC([O-])=NOC/C=C/Cl)cc1 ZINC000289941010 263113156 /nfs/dbraw/zinc/11/31/56/263113156.db2.gz UIORKSUPPYGFBJ-FPYGCLRLSA-N -1 3 293.754 3.293 20 30 CGEDHM CC(C)(C#N)c1ccc(NC(=O)[N-]OC/C=C/Cl)cc1 ZINC000289941010 263113157 /nfs/dbraw/zinc/11/31/57/263113157.db2.gz UIORKSUPPYGFBJ-FPYGCLRLSA-N -1 3 293.754 3.293 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(CC)cc1 ZINC000294062562 263155249 /nfs/dbraw/zinc/15/52/49/263155249.db2.gz QBTAKRWJUGZCST-ZDUSSCGKSA-N -1 3 278.302 3.141 20 30 CGEDHM N#CC1(NC(=O)CCc2ccc3ccccc3c2[O-])CCC1 ZINC000294811750 263167697 /nfs/dbraw/zinc/16/76/97/263167697.db2.gz VHCQUSAMIDRFHD-UHFFFAOYSA-N -1 3 294.354 3.040 20 30 CGEDHM N#C[C@@]1(c2nc(-c3ccc([O-])cc3)no2)CC12CCCC2 ZINC000296058962 263185246 /nfs/dbraw/zinc/18/52/46/263185246.db2.gz XAGOEWJFRFMRKI-MRXNPFEDSA-N -1 3 281.315 3.168 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@@H](C#N)C(C)C)c([O-])c1 ZINC000331236766 264175082 /nfs/dbraw/zinc/17/50/82/264175082.db2.gz MOADZDDNPIYOAE-ZDUSSCGKSA-N -1 3 260.337 3.368 20 30 CGEDHM Cc1cccc(C(=O)NC2(CCO)CCCCC2)c1[O-] ZINC000331243937 264177766 /nfs/dbraw/zinc/17/77/66/264177766.db2.gz SHNARZYCMAXOTF-UHFFFAOYSA-N -1 3 277.364 3.091 20 30 CGEDHM CC(C)c1ccc(C(=O)NC2(CO)CCCC2)c([O-])c1 ZINC000331250479 264180891 /nfs/dbraw/zinc/18/08/91/264180891.db2.gz WQQHVGDJTYIXGX-UHFFFAOYSA-N -1 3 277.364 3.125 20 30 CGEDHM N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1ccccn1 ZINC000161936299 264301887 /nfs/dbraw/zinc/30/18/87/264301887.db2.gz BFCVGXKFIJOGDQ-SNVBAGLBSA-N -1 3 274.682 3.364 20 30 CGEDHM C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)c2c([O-])cccc21 ZINC000186321007 267021200 /nfs/dbraw/zinc/02/12/00/267021200.db2.gz IUVYOVLVJXUZJV-SNVBAGLBSA-N -1 3 298.367 3.479 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2nc3ccsc3s2)o1 ZINC000340497568 279514088 /nfs/dbraw/zinc/51/40/88/279514088.db2.gz LTGCQCDCSCVJOR-UHFFFAOYSA-N -1 3 275.314 3.075 20 30 CGEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(CC)ccc1[O-] ZINC000428045224 328438697 /nfs/dbraw/zinc/43/86/97/328438697.db2.gz PMERICLUBPKENR-CYBMUJFWSA-N -1 3 259.349 3.135 20 30 CGEDHM C=CCN(Cc1ccccc1F)[C@H](CCCC)C(=O)[O-] ZINC000584177535 327059006 /nfs/dbraw/zinc/05/90/06/327059006.db2.gz BHXUSWFJNJJWFB-OAHLLOKOSA-N -1 3 279.355 3.457 20 30 CGEDHM C[C@@H](C#N)CN(C(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000436609833 330681397 /nfs/dbraw/zinc/68/13/97/330681397.db2.gz XIWZVLUYGGGCMO-LBPRGKRZSA-N -1 3 298.386 3.035 20 30 CGEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000451801807 331042636 /nfs/dbraw/zinc/04/26/36/331042636.db2.gz JJYMMDZHIPUSAG-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM C=CCC1(C[N-]S(=O)(=O)c2ccc(C)o2)CCCC1 ZINC000451951481 331047961 /nfs/dbraw/zinc/04/79/61/331047961.db2.gz LPXPPPLPIFBDCS-UHFFFAOYSA-N -1 3 283.393 3.003 20 30 CGEDHM C=C(C)C[C@@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000186419599 333160414 /nfs/dbraw/zinc/16/04/14/333160414.db2.gz RHWPKDCOKSIIDQ-SNVBAGLBSA-N -1 3 288.326 3.152 20 30 CGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000546056146 334014720 /nfs/dbraw/zinc/01/47/20/334014720.db2.gz NKCRGHSNECJXSV-SNVBAGLBSA-N -1 3 291.775 3.112 20 30 CGEDHM CC(C)(C)c1ccc(NC(=O)C(C)(C)C#N)c([O-])c1 ZINC000334937746 526781085 /nfs/dbraw/zinc/78/10/85/526781085.db2.gz ZQKHTRLCYQNHHG-UHFFFAOYSA-N -1 3 260.337 3.178 20 30 CGEDHM C=CC(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000295297647 526948244 /nfs/dbraw/zinc/94/82/44/526948244.db2.gz NFSSBMKTJKNLQQ-UHFFFAOYSA-N -1 3 284.153 3.305 20 30 CGEDHM CCOc1cc(/C=C/c2ccncc2C#N)ccc1[O-] ZINC000436574583 528192937 /nfs/dbraw/zinc/19/29/37/528192937.db2.gz GQAMCSHOGMPJAV-HWKANZROSA-N -1 3 266.300 3.228 20 30 CGEDHM CCNc1ccc(C#N)cc1NC(=O)c1cccc(C)c1[O-] ZINC000436754489 528427239 /nfs/dbraw/zinc/42/72/39/528427239.db2.gz ZCAKOWNMSZPPNY-UHFFFAOYSA-N -1 3 295.342 3.256 20 30 CGEDHM COC[C@@H](/N=C/c1c([O-])cccc1OC)c1ccccc1 ZINC000727062184 571710634 /nfs/dbraw/zinc/71/06/34/571710634.db2.gz VCQLDAUJVGNQAH-CLXYIWAZSA-N -1 3 285.343 3.207 20 30 CGEDHM COc1cccc([O-])c1C=Nc1ccc(F)c(C#N)c1 ZINC000728173949 571792459 /nfs/dbraw/zinc/79/24/59/571792459.db2.gz CSAFYXPKZHIGBC-UHFFFAOYSA-N -1 3 270.263 3.162 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@@H](C)Cc1c(C)noc1C ZINC000737442243 572343647 /nfs/dbraw/zinc/34/36/47/572343647.db2.gz ATSYYKCECXUIRI-HLGUWXJESA-N -1 3 288.347 3.056 20 30 CGEDHM N#Cc1cccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000739134136 572402621 /nfs/dbraw/zinc/40/26/21/572402621.db2.gz WFHHCTVMKMTFEB-QGZVFWFLSA-N -1 3 294.354 3.254 20 30 CGEDHM C[C@H]1CC(/N=C/c2ccc(O)c([O-])c2O)C[C@H](C)C1 ZINC000739426501 572414006 /nfs/dbraw/zinc/41/40/06/572414006.db2.gz MTWNFGHKCIFTFF-OFNOFRFJSA-N -1 3 263.337 3.047 20 30 CGEDHM COc1ccc2c(c1)OCC[C@@H]2/N=C/c1ccccc1[O-] ZINC000741757086 572523033 /nfs/dbraw/zinc/52/30/33/572523033.db2.gz LOGYSRODJZNPNQ-LZNAANCOSA-N -1 3 283.327 3.344 20 30 CGEDHM C[C@@H]1C[C@H](/N=C\c2ccccc2[O-])C(=O)N1c1ccccc1 ZINC000741843866 572534111 /nfs/dbraw/zinc/53/41/11/572534111.db2.gz MUKDYHCJWZTPES-IWKQRZCBSA-N -1 3 294.354 3.005 20 30 CGEDHM Cc1cc(C)cc(C[C@@H](C)/N=C\c2ccc(O)c([O-])c2O)c1 ZINC000741844931 572534700 /nfs/dbraw/zinc/53/47/00/572534700.db2.gz REDALTYNRJODKJ-XTBHVRTMSA-N -1 3 299.370 3.470 20 30 CGEDHM [O-]c1cccc(C=Nc2ccc(-c3c[nH]cn3)cc2)c1O ZINC000743334483 572647723 /nfs/dbraw/zinc/64/77/23/572647723.db2.gz YRJNEGAXAFWIDF-UHFFFAOYSA-N -1 3 279.299 3.239 20 30 CGEDHM C=CCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735442708 572721478 /nfs/dbraw/zinc/72/14/78/572721478.db2.gz IUNVDVDNVAWKAP-UHFFFAOYSA-N -1 3 295.371 3.207 20 30 CGEDHM C=CCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735442708 572721483 /nfs/dbraw/zinc/72/14/83/572721483.db2.gz IUNVDVDNVAWKAP-UHFFFAOYSA-N -1 3 295.371 3.207 20 30 CGEDHM C=CCCCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000735529471 572727875 /nfs/dbraw/zinc/72/78/75/572727875.db2.gz BQXNZBLZKMKTRZ-UHFFFAOYSA-N -1 3 260.293 3.101 20 30 CGEDHM C=CCCCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000735529471 572727879 /nfs/dbraw/zinc/72/78/79/572727879.db2.gz BQXNZBLZKMKTRZ-UHFFFAOYSA-N -1 3 260.293 3.101 20 30 CGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000736663389 572803885 /nfs/dbraw/zinc/80/38/85/572803885.db2.gz YKVAUGWSYKEALL-BDJLRTHQSA-N -1 3 298.317 3.174 20 30 CGEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc([O-])cc1 ZINC000747062179 572907184 /nfs/dbraw/zinc/90/71/84/572907184.db2.gz UKCIUDLVIHYFEM-UHFFFAOYSA-N -1 3 285.303 3.445 20 30 CGEDHM C#CC[C@H](OC(=O)c1cc2ccsc2[n-]1)C1CC1 ZINC000750775578 573176535 /nfs/dbraw/zinc/17/65/35/573176535.db2.gz UWFQVNNHVOXICA-LBPRGKRZSA-N -1 3 259.330 3.188 20 30 CGEDHM C=CCOc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819759497 599089219 /nfs/dbraw/zinc/08/92/19/599089219.db2.gz XPAWZXMYYJIZMS-UHFFFAOYSA-N -1 3 294.314 3.224 20 30 CGEDHM C=CCOc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819759497 599089222 /nfs/dbraw/zinc/08/92/22/599089222.db2.gz XPAWZXMYYJIZMS-UHFFFAOYSA-N -1 3 294.314 3.224 20 30 CGEDHM C=C(C)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819722171 606629514 /nfs/dbraw/zinc/62/95/14/606629514.db2.gz ALXPWLPWTQCLLA-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM C=C(C)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819722171 606629515 /nfs/dbraw/zinc/62/95/15/606629515.db2.gz ALXPWLPWTQCLLA-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM C=CCCCN(CC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000890813309 617870100 /nfs/dbraw/zinc/87/01/00/617870100.db2.gz ZLBHDCUYGOBZOS-UHFFFAOYSA-N -1 3 275.348 3.023 20 30 CGEDHM CO[C@H](C)CCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900093987 620761453 /nfs/dbraw/zinc/76/14/53/620761453.db2.gz FCMBDFBNVLBAOI-CYBMUJFWSA-N -1 3 287.359 3.373 20 30 CGEDHM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cc(O)ccc1O ZINC000255506907 618621314 /nfs/dbraw/zinc/62/13/14/618621314.db2.gz KCDNWPDVUVFEMN-RJRFIUFISA-N -1 3 290.702 3.353 20 30 CGEDHM C[C@@]1(C/N=C/c2cc(Cl)ccc2[O-])CCCCO1 ZINC000899228122 620627267 /nfs/dbraw/zinc/62/72/67/620627267.db2.gz ZCLFGBIZLLYYAV-FSEGOYHTSA-N -1 3 267.756 3.424 20 30 CGEDHM C[C@@H]1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)[C@@H](C)O1 ZINC000901373377 620867603 /nfs/dbraw/zinc/86/76/03/620867603.db2.gz XXEPKWPKVCRSIL-PBFPGSCMSA-N -1 3 299.370 3.371 20 30 CGEDHM O=C(c1ccc(Cl)o1)N([O-])Cc1ccc(F)cc1 ZINC000901375092 620868099 /nfs/dbraw/zinc/86/80/99/620868099.db2.gz BTOLYXHERKKGHX-UHFFFAOYSA-N -1 3 269.659 3.104 20 30 CGEDHM CCC[C@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374851 620868180 /nfs/dbraw/zinc/86/81/80/620868180.db2.gz ULLRKMFBNOFECH-NSHDSACASA-N -1 3 253.317 3.370 20 30 CGEDHM O=C(C[C@H]1CCC(F)(F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904173867 621885112 /nfs/dbraw/zinc/88/51/12/621885112.db2.gz RQOQQCQGJMRXRE-LLVKDONJSA-N -1 3 287.281 3.369 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC000904206533 621885708 /nfs/dbraw/zinc/88/57/08/621885708.db2.gz ATVPNLFJCJDQAQ-UHFFFAOYSA-N -1 3 294.376 3.001 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](CC)CC(F)F ZINC000904206865 621886325 /nfs/dbraw/zinc/88/63/25/621886325.db2.gz LRKGNSRPYHAYAD-JTQLQIEISA-N -1 3 251.317 3.466 20 30 CGEDHM O=C([C@@H]1CC12CCC2)N([O-])Cc1ccccc1Cl ZINC000904188913 621886948 /nfs/dbraw/zinc/88/69/48/621886948.db2.gz SKJGSOISRKARJL-NSHDSACASA-N -1 3 265.740 3.248 20 30 CGEDHM O=C([C@@H]1C[C@H]1c1ccco1)N([O-])Cc1ccccc1Cl ZINC000904192391 621887275 /nfs/dbraw/zinc/88/72/75/621887275.db2.gz KCUOHCUPEDSWAH-VXGBXAGGSA-N -1 3 291.734 3.455 20 30 CGEDHM C[C@H]1C(=O)CC[C@@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904192977 621887609 /nfs/dbraw/zinc/88/76/09/621887609.db2.gz HCTXHEATAXTVNJ-GHMZBOCLSA-N -1 3 295.766 3.063 20 30 CGEDHM N#CCCCCC(=O)N([O-])CCCCc1ccccc1 ZINC000904196058 621887951 /nfs/dbraw/zinc/88/79/51/621887951.db2.gz OBYOJKZHIIZEKP-UHFFFAOYSA-N -1 3 274.364 3.311 20 30 CGEDHM CC(=NOCC(F)(F)F)c1ccc([O-])cc1Cl ZINC000905456641 622077990 /nfs/dbraw/zinc/07/79/90/622077990.db2.gz WBBIFFFKQKBGEA-UHFFFAOYSA-N -1 3 267.634 3.349 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccsc2)ccc1[O-] ZINC000111685764 623695361 /nfs/dbraw/zinc/69/53/61/623695361.db2.gz BKZWLGQDTZXHON-RQOWECAXSA-N -1 3 260.314 3.358 20 30 CGEDHM CC(=NNCc1ccccc1)c1cc(F)ccc1[O-] ZINC000916604776 624189914 /nfs/dbraw/zinc/18/99/14/624189914.db2.gz PXRHLGYCKNHSOR-UHFFFAOYSA-N -1 3 258.296 3.045 20 30 CGEDHM COc1ccc(CNN=C(C)c2cc(F)ccc2[O-])cc1 ZINC000917547265 624281267 /nfs/dbraw/zinc/28/12/67/624281267.db2.gz MOQBWHRSNPZPMG-UHFFFAOYSA-N -1 3 288.322 3.054 20 30 CGEDHM Cc1cc(C)c([N+](=O)[O-])cc1N=Cc1cccc([O-])c1O ZINC000920942631 624554277 /nfs/dbraw/zinc/55/42/77/624554277.db2.gz AFBJOFLNKOUWFJ-UHFFFAOYSA-N -1 3 286.287 3.373 20 30 CGEDHM CC1(C)CCc2onc(C([O-])=C(C#N)c3ccccn3)c2C1 ZINC000873498835 634391455 /nfs/dbraw/zinc/39/14/55/634391455.db2.gz YVAGKPLYIJLTOZ-LBPRGKRZSA-N -1 3 295.342 3.075 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)CC#N)n[n-]2)o1 ZINC000184803651 625274038 /nfs/dbraw/zinc/27/40/38/625274038.db2.gz OAZDBFBYAVJUSB-UHFFFAOYSA-N -1 3 287.319 3.075 20 30 CGEDHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)CC#N)[n-]n2)o1 ZINC000184803651 625274043 /nfs/dbraw/zinc/27/40/43/625274043.db2.gz OAZDBFBYAVJUSB-UHFFFAOYSA-N -1 3 287.319 3.075 20 30 CGEDHM [O-]c1ccc(C=NNc2ccc(OC(F)(F)F)cc2)nc1 ZINC000755628972 626632857 /nfs/dbraw/zinc/63/28/57/626632857.db2.gz PBFIYJRTAODVNX-UHFFFAOYSA-N -1 3 297.236 3.132 20 30 CGEDHM COc1ccc(CNN=Cc2c([O-])cccc2Cl)cc1 ZINC000755655426 626634313 /nfs/dbraw/zinc/63/43/13/626634313.db2.gz QXPHCDCZTFATGC-UHFFFAOYSA-N -1 3 290.750 3.178 20 30 CGEDHM CC(=NO[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000755817269 626649979 /nfs/dbraw/zinc/64/99/79/626649979.db2.gz YBIUASNGDHRDLU-ZDUSSCGKSA-N -1 3 269.728 3.313 20 30 CGEDHM C[C@H]1CC(=NOCC(F)F)c2c1c(F)ccc2[O-] ZINC000758907162 626865730 /nfs/dbraw/zinc/86/57/30/626865730.db2.gz QVXYUSSDARCDGY-LURJTMIESA-N -1 3 259.227 3.024 20 30 CGEDHM CC(=NNc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000761865779 627068403 /nfs/dbraw/zinc/06/84/03/627068403.db2.gz NCDULRQXCDNQFW-UHFFFAOYSA-N -1 3 280.331 3.115 20 30 CGEDHM CC1(C)CCCN(Cc2c([O-])ccc3ccncc32)[C@H]1C#N ZINC000766111782 627296657 /nfs/dbraw/zinc/29/66/57/627296657.db2.gz NGNRZFCLUODRSO-KRWDZBQOSA-N -1 3 295.386 3.455 20 30 CGEDHM N#Cc1ccc(F)c(CNCc2cccc(Cl)c2[O-])c1 ZINC000776221348 628181992 /nfs/dbraw/zinc/18/19/92/628181992.db2.gz VLNWODJOANFUBJ-UHFFFAOYSA-N -1 3 290.725 3.346 20 30 CGEDHM Cc1cc(=O)[n-]c(N=NC(C)C[C@@H](C)CC(C)C)n1 ZINC000779755652 628426641 /nfs/dbraw/zinc/42/66/41/628426641.db2.gz MOMLPZRTRSBTDR-JTQLQIEISA-N -1 3 264.373 3.351 20 30 CGEDHM CC1(C)CCC[C@H]1NN=Cc1ccc([O-])c(F)c1 ZINC000782301579 628636357 /nfs/dbraw/zinc/63/63/57/628636357.db2.gz PTBTXWMMYJSBET-CYBMUJFWSA-N -1 3 250.317 3.034 20 30 CGEDHM CCCC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccsc1 ZINC000785454158 628863277 /nfs/dbraw/zinc/86/32/77/628863277.db2.gz XBDSKTQTSAGFDS-UHFFFAOYSA-N -1 3 286.364 3.031 20 30 CGEDHM [O-]c1ccc(F)c(C=NNCc2cccc(Cl)c2)c1F ZINC000794515630 629549119 /nfs/dbraw/zinc/54/91/19/629549119.db2.gz BYWFALIXTAHYIV-UHFFFAOYSA-N -1 3 296.704 3.448 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1C[C@H]1C1CC1 ZINC000797397814 629940847 /nfs/dbraw/zinc/94/08/47/629940847.db2.gz HCVVUFPALSCEDT-BESWFOBESA-N -1 3 280.165 3.372 20 30 CGEDHM CC(=NOCC(F)F)c1cc(Cl)cc(C)c1[O-] ZINC000807986130 630611561 /nfs/dbraw/zinc/61/15/61/630611561.db2.gz SBEDMXKAAAFEKG-UHFFFAOYSA-N -1 3 263.671 3.360 20 30 CGEDHM CC(N=Nc1nccnc1C1CCC1)c1sccc1[O-] ZINC000807993015 630612936 /nfs/dbraw/zinc/61/29/36/630612936.db2.gz WQVNCFNIZWOAFS-UHFFFAOYSA-N -1 3 288.376 3.347 20 30 CGEDHM C=CCO[N-]C(=O)CCCOc1ccc(C)cc1Cl ZINC000837047984 634847836 /nfs/dbraw/zinc/84/78/36/634847836.db2.gz OUEQEUHDJJOXFL-UHFFFAOYSA-N -1 3 283.755 3.041 20 30 CGEDHM C#CC[C@@H]([N-]c1nc(C2CCOCC2)no1)c1ccccc1 ZINC000840279000 631345706 /nfs/dbraw/zinc/34/57/06/631345706.db2.gz VOTNMLQFXIHLFF-OAHLLOKOSA-N -1 3 297.358 3.140 20 30 CGEDHM CC[C@H](CN=Nc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000814681379 631620924 /nfs/dbraw/zinc/62/09/24/631620924.db2.gz ITTKXUIUOUTINM-GFCCVEGCSA-N -1 3 270.336 3.082 20 30 CGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)CC=C)c1ccc(Cl)cc1 ZINC000816778475 632049345 /nfs/dbraw/zinc/04/93/45/632049345.db2.gz AJLNWDCXFRFXTC-GFCCVEGCSA-N -1 3 283.705 3.342 20 30 CGEDHM C=C(C)CO[N-]C(=O)C1(CCc2ccccc2)CC1 ZINC000824028911 633184588 /nfs/dbraw/zinc/18/45/88/633184588.db2.gz WXPBWUNBKDNCCM-UHFFFAOYSA-N -1 3 259.349 3.023 20 30 CGEDHM C=C(C)CO[N-]C(=O)Cc1csc2sc(C)cc12 ZINC000869152646 633409300 /nfs/dbraw/zinc/40/93/00/633409300.db2.gz FRSDMYWJFIUDGI-UHFFFAOYSA-N -1 3 281.402 3.438 20 30 CGEDHM CCc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830276811 633846606 /nfs/dbraw/zinc/84/66/06/633846606.db2.gz QZCQSHJJKHHQQG-QGZVFWFLSA-N -1 3 294.354 3.036 20 30 CGEDHM C=CCCCCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166480 634073311 /nfs/dbraw/zinc/07/33/11/634073311.db2.gz JZFATWFNGCVVSZ-UHFFFAOYSA-N -1 3 289.375 3.108 20 30 CGEDHM CC(C)(CC#N)CNC(=O)c1cc2sccc2c([O-])c1 ZINC000837892230 635003952 /nfs/dbraw/zinc/00/39/52/635003952.db2.gz AXPUGXWELNWZHC-UHFFFAOYSA-N -1 3 288.372 3.277 20 30 CGEDHM C[C@@H]1C[C@H](C/N=C/c2cc(Cl)ccc2[O-])[C@H](C)O1 ZINC000840713713 635040464 /nfs/dbraw/zinc/04/04/64/635040464.db2.gz USANARXKGWUGQJ-HZCDOOTRSA-N -1 3 267.756 3.278 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1c[nH]c2c1cccc2C ZINC000846538646 636194973 /nfs/dbraw/zinc/19/49/73/636194973.db2.gz YXHAKVYGAYLPQC-UHFFFAOYSA-N -1 3 272.348 3.033 20 30 CGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cc2n(n1)CCC2 ZINC000849243779 636776003 /nfs/dbraw/zinc/77/60/03/636776003.db2.gz OOUHMRHNJOZTCW-RILYUOAZSA-N -1 3 298.317 3.057 20 30 CGEDHM C#CCC1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCC1 ZINC000886794532 637693280 /nfs/dbraw/zinc/69/32/80/637693280.db2.gz VOYRSHWGBGFMRT-UHFFFAOYSA-N -1 3 299.267 3.119 20 30 CGEDHM CC[C@@H](NCc1cc(C2CC2)no1)c1cccc(C#N)c1[O-] ZINC000926869108 638819330 /nfs/dbraw/zinc/81/93/30/638819330.db2.gz PORSTOMLZIGBQK-OAHLLOKOSA-N -1 3 297.358 3.370 20 30 CGEDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(C#N)cs1 ZINC000928789849 638892506 /nfs/dbraw/zinc/89/25/06/638892506.db2.gz SEAQHTZADMJJFM-UHFFFAOYSA-N -1 3 275.333 3.292 20 30 CGEDHM C[C@H]1CCC[C@](C#N)([N-]C(=O)C(F)(F)c2ccccc2)C1 ZINC000116811448 639160068 /nfs/dbraw/zinc/16/00/68/639160068.db2.gz QGTJVRLXQWFSNG-WFASDCNBSA-N -1 3 292.329 3.367 20 30 CGEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000933169433 639426120 /nfs/dbraw/zinc/42/61/20/639426120.db2.gz FEFMGUZCDGNBFX-UHFFFAOYSA-N -1 3 295.116 3.004 20 30 CGEDHM CCCCCCCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934273162 639570995 /nfs/dbraw/zinc/57/09/95/639570995.db2.gz KFVYZDWWFDPWKN-CYBMUJFWSA-N -1 3 293.411 3.298 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000862133337 639649466 /nfs/dbraw/zinc/64/94/66/639649466.db2.gz YDEOJDHLQMEDPK-QMMMGPOBSA-N -1 3 274.147 3.158 20 30 CGEDHM N#Cc1cc(NC(=O)c2ccc3[nH]ccc3c2F)ccc1[O-] ZINC001155420545 805580587 /nfs/dbraw/zinc/58/05/87/805580587.db2.gz MXLPKULTGYTSHU-UHFFFAOYSA-N -1 3 295.273 3.137 20 30 CGEDHM C[Si](C)(C)C#Cc1cccnc1NCc1ncccc1[O-] ZINC001158773839 806001142 /nfs/dbraw/zinc/00/11/42/806001142.db2.gz BYYCNJBPIHBYEG-UHFFFAOYSA-N -1 3 297.434 3.023 20 30 CGEDHM CCCCCCCC[C@H](O)CNc1cnc(C)[n-]c1=O ZINC001252123772 806012194 /nfs/dbraw/zinc/01/21/94/806012194.db2.gz LLEKUHVBNPTDIO-ZDUSSCGKSA-N -1 3 281.400 3.014 20 30 CGEDHM CCON=C(CC)c1cc(Br)ccc1[O-] ZINC000328484356 799252996 /nfs/dbraw/zinc/25/29/96/799252996.db2.gz SSSQLAPOBNHIEN-UHFFFAOYSA-N -1 3 272.142 3.305 20 30 CGEDHM CC(C)(C)c1ccc(C#N)c(-c2ccc([O-])c(CO)c2)n1 ZINC001244776643 803527777 /nfs/dbraw/zinc/52/77/77/803527777.db2.gz QGTQPMYAERQHPU-UHFFFAOYSA-N -1 3 282.343 3.116 20 30 CGEDHM N#C[C@@H]1CCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142105788 804694961 /nfs/dbraw/zinc/69/49/61/804694961.db2.gz NSENAGDVZLEPMX-QMMMGPOBSA-N -1 3 271.147 3.187 20 30 CGEDHM CN(Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142520129 804730702 /nfs/dbraw/zinc/73/07/02/804730702.db2.gz BYMSAIKMORQMMW-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM C#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC001143135023 804807929 /nfs/dbraw/zinc/80/79/29/804807929.db2.gz DKAUVVOAMUTJJB-OAHLLOKOSA-N -1 3 285.730 3.150 20 30 CGEDHM N#Cc1cc(NC(=O)c2cc3c(cccc3F)[nH]2)ccc1[O-] ZINC001151108741 805283334 /nfs/dbraw/zinc/28/33/34/805283334.db2.gz MLPOARKTRJHFLX-UHFFFAOYSA-N -1 3 295.273 3.137 20 30 CGEDHM N#Cc1cc(F)cc(F)c1Nc1c([O-])cccc1F ZINC001249997261 805354618 /nfs/dbraw/zinc/35/46/18/805354618.db2.gz YLSXWFBUKPRNDF-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM CCCCN(CC#N)C(=O)c1c([O-])cnc2ccc(C)cc21 ZINC001154530251 805461755 /nfs/dbraw/zinc/46/17/55/805461755.db2.gz BNORCPCKJSVRFO-UHFFFAOYSA-N -1 3 297.358 3.015 20 30 CGEDHM CCCCCCC[C@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001258039124 807271063 /nfs/dbraw/zinc/27/10/63/807271063.db2.gz KVNLTRGCEBCEMU-ZDUSSCGKSA-N -1 3 279.361 3.283 20 30 CGEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])cc1OC ZINC001173889500 808744394 /nfs/dbraw/zinc/74/43/94/808744394.db2.gz JVTDINGUHRXXFP-UHFFFAOYSA-N -1 3 270.288 3.025 20 30 CGEDHM COc1cccc(Nc2ccc([O-])c(C#N)c2)c1F ZINC001173974568 808798582 /nfs/dbraw/zinc/79/85/82/808798582.db2.gz GCYZDTCXWBKKCM-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])c(F)c1F ZINC001175022915 809243592 /nfs/dbraw/zinc/24/35/92/809243592.db2.gz JLCPKDXTNXNOPP-UHFFFAOYSA-N -1 3 276.242 3.294 20 30 CGEDHM C#C[C@](C)(CC)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001298087026 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814334657 /nfs/dbraw/zinc/33/46/57/814334657.db2.gz HGUALGSPPSMFQW-UHFFFAOYSA-N -1 3 288.278 3.164 20 30 CGEDHM COc1ccc(C#N)c(Nc2cccc(F)c2[O-])c1 ZINC001210198050 814334837 /nfs/dbraw/zinc/33/48/37/814334837.db2.gz HWAIDESGKQEYPI-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM Cc1cc(C#N)cc(C#N)c1Nc1ccc([O-])c(C#N)c1 ZINC001210532290 814512518 /nfs/dbraw/zinc/51/25/18/814512518.db2.gz FQSMNJPCINOPIV-UHFFFAOYSA-N -1 3 274.283 3.059 20 30 CGEDHM Cc1ccc([N+](=O)[O-])cc1Nc1ccc([O-])c(C#N)c1 ZINC001211289756 814871886 /nfs/dbraw/zinc/87/18/86/814871886.db2.gz JXJGCFXTUQIGSR-UHFFFAOYSA-N -1 3 269.260 3.224 20 30 CGEDHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1ccccc1C#N ZINC001225340492 817017435 /nfs/dbraw/zinc/01/74/35/817017435.db2.gz OMZSJDSPJZTPQO-LLVKDONJSA-N -1 3 279.295 3.273 20 30 CGEDHM C#C[C@@H](CCCCC)Oc1ccc2c([O-])coc2c1 ZINC001225342512 817018496 /nfs/dbraw/zinc/01/84/96/817018496.db2.gz JUBALYSOZCQDFU-LBPRGKRZSA-N -1 3 258.317 3.223 20 30 CGEDHM CC[C@H](C#Cc1ccccc1)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225469054 817063085 /nfs/dbraw/zinc/06/30/85/817063085.db2.gz XKYWBEYQTCGFQH-OAHLLOKOSA-N -1 3 292.338 3.176 20 30 CGEDHM CCC[C@@H](C#Cc1ccccc1)Oc1nc[n-]c(=O)c1C ZINC001226075997 817265742 /nfs/dbraw/zinc/26/57/42/817265742.db2.gz KHCSEZORJHXPFW-HNNXBMFYSA-N -1 3 282.343 3.090 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@@H](CC#N)c2ccccc2)c1O ZINC001226482455 817371198 /nfs/dbraw/zinc/37/11/98/817371198.db2.gz NWIYRUXIXNOBCY-HNNXBMFYSA-N -1 3 297.310 3.334 20 30 CGEDHM C=C[C@@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531682 817390373 /nfs/dbraw/zinc/39/03/73/817390373.db2.gz DWFLSKGWRGQDKJ-JTQLQIEISA-N -1 3 260.289 3.150 20 30 CGEDHM COc1ccc(OC[C@@H](C)Oc2cc(C#N)ccc2[O-])cc1 ZINC001227350633 817630183 /nfs/dbraw/zinc/63/01/83/817630183.db2.gz OSYIUTLOWUOGSK-GFCCVEGCSA-N -1 3 299.326 3.119 20 30 CGEDHM C=CC[C@H](C=C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227582946 817676749 /nfs/dbraw/zinc/67/67/49/817676749.db2.gz HTYRVFNMTMCDRS-VIFPVBQESA-N -1 3 259.227 3.316 20 30 CGEDHM Cc1[n-]c(=O)cc(O[C@H](CC#N)c2ccccc2)c1[N+](=O)[O-] ZINC001228689954 817974082 /nfs/dbraw/zinc/97/40/82/817974082.db2.gz XWEBEPHSRDTTPZ-GFCCVEGCSA-N -1 3 299.286 3.038 20 30 CGEDHM N#C[C@@H]1CCCCN1Cc1ccc2ccccc2c1[O-] ZINC001231881646 818200066 /nfs/dbraw/zinc/20/00/66/818200066.db2.gz ZYHGDGBIFAHUPR-HNNXBMFYSA-N -1 3 266.344 3.423 20 30 CGEDHM N#Cc1ccc(CN2CCc3cc(Cl)ccc3C2)c([O-])c1 ZINC001233386812 818606705 /nfs/dbraw/zinc/60/67/05/818606705.db2.gz JUPMLZWCZBTYRX-UHFFFAOYSA-N -1 3 298.773 3.476 20 30 CGEDHM N#CC[C@@H](Oc1ccc2occ([O-])c2c1)c1ccccc1 ZINC001233677903 818677272 /nfs/dbraw/zinc/67/72/72/818677272.db2.gz POJGNLDSPXPLBJ-MRXNPFEDSA-N -1 3 279.295 3.295 20 30 CGEDHM CC[C@@H](Oc1ccc(/C=N/[O-])cc1OC)C(C)C ZINC001233806881 818710060 /nfs/dbraw/zinc/71/00/60/818710060.db2.gz JZVYWMDSKYRNGQ-KMHUVPDISA-N -1 3 251.326 3.317 20 30 CGEDHM COc1ccccc1OC[C@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234143581 818790720 /nfs/dbraw/zinc/79/07/20/818790720.db2.gz DXOBBQWCEMLBEO-LBPRGKRZSA-N -1 3 299.326 3.119 20 30 CGEDHM N#CC[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234446259 818857061 /nfs/dbraw/zinc/85/70/61/818857061.db2.gz FNGBCAGAAWKUHR-CQSZACIVSA-N -1 3 279.299 3.302 20 30 CGEDHM N#CC[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234446250 818857979 /nfs/dbraw/zinc/85/79/79/818857979.db2.gz FNGBCAGAAWKUHR-AWEZNQCLSA-N -1 3 279.299 3.302 20 30 CGEDHM C#CC[C@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792657 818924675 /nfs/dbraw/zinc/92/46/75/818924675.db2.gz FPNGWEMSNXFBTO-LBPRGKRZSA-N -1 3 276.332 3.093 20 30 CGEDHM N#Cc1ccc(-c2ccccc2)nc1-c1cncc([O-])c1 ZINC001236575692 819541861 /nfs/dbraw/zinc/54/18/61/819541861.db2.gz VYDAHRWMJRXJAO-UHFFFAOYSA-N -1 3 273.295 3.388 20 30 CGEDHM CCCCN(CC#N)Cc1ccc(Br)c([O-])c1 ZINC001236698244 819574394 /nfs/dbraw/zinc/57/43/94/819574394.db2.gz JEULSHKMUGMMSN-UHFFFAOYSA-N -1 3 297.196 3.280 20 30 CGEDHM C#C[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237948243 819892855 /nfs/dbraw/zinc/89/28/55/819892855.db2.gz BOEOMMGOHINLPU-JTQLQIEISA-N -1 3 267.731 3.030 20 30 CGEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(Cl)c(C#N)c1 ZINC001240405198 821025565 /nfs/dbraw/zinc/02/55/65/821025565.db2.gz YSAIPXQGOJFKEA-UHFFFAOYSA-N -1 3 295.733 3.367 20 30 CGEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(Cl)c(C#N)c1 ZINC001240405198 821025572 /nfs/dbraw/zinc/02/55/72/821025572.db2.gz YSAIPXQGOJFKEA-UHFFFAOYSA-N -1 3 295.733 3.367 20 30 CGEDHM Cc1nn(C)c2ccc(-c3cccc(/C=N/[O-])c3)cc12 ZINC001240459670 821073197 /nfs/dbraw/zinc/07/31/97/821073197.db2.gz UGRSCLYAOKGPRZ-LICLKQGHSA-N -1 3 265.316 3.357 20 30 CGEDHM C=CCc1ccnc(-c2ccccc2[O-])c1C(OC)OC ZINC001241009051 821485615 /nfs/dbraw/zinc/48/56/15/821485615.db2.gz YXQNMVKLSFGBFM-UHFFFAOYSA-N -1 3 285.343 3.474 20 30 CGEDHM COc1ccc(-c2cccc(F)c2[O-])cc1CC#N ZINC001242351299 822961312 /nfs/dbraw/zinc/96/13/12/822961312.db2.gz GBEZLXZCSKKCBC-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM CC(=O)N1CCCc2cc(-c3ccc([O-])c(C#N)c3)ccc21 ZINC001242564958 823034890 /nfs/dbraw/zinc/03/48/90/823034890.db2.gz CTFFEGOGYBCRJU-UHFFFAOYSA-N -1 3 292.338 3.230 20 30 CGEDHM CC(=O)Nc1cc(-c2ccc([O-])c(C#N)c2)ccc1C ZINC001242565794 823036203 /nfs/dbraw/zinc/03/62/03/823036203.db2.gz SKNYTIWREHUMHB-UHFFFAOYSA-N -1 3 266.300 3.198 20 30 CGEDHM N#CCCOc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565621 823036270 /nfs/dbraw/zinc/03/62/70/823036270.db2.gz NGQTVTDYKUZRST-UHFFFAOYSA-N -1 3 264.284 3.223 20 30 CGEDHM Cc1cnc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)c1 ZINC001340557598 936407532 /nfs/dbraw/zinc/40/75/32/936407532.db2.gz DEFFFONAXCKNJY-GFCCVEGCSA-N -1 3 290.326 3.065 20 30 CGEDHM CCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1CC ZINC001342579338 936470407 /nfs/dbraw/zinc/47/04/07/936470407.db2.gz DTHVBEIYXVEKSU-OAHLLOKOSA-N -1 3 279.343 3.091 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccccc1)c1cccc(F)n1 ZINC001343312960 936494328 /nfs/dbraw/zinc/49/43/28/936494328.db2.gz SJJDLGUTPLSORA-WTNCMQEWSA-N -1 3 266.275 3.110 20 30 CGEDHM C=CCC1(CNC(=O)c2ccc(OC)cc2[O-])CCCC1 ZINC001449434532 937379234 /nfs/dbraw/zinc/37/92/34/937379234.db2.gz UZCFZJSGZOXTOJ-UHFFFAOYSA-N -1 3 289.375 3.267 20 30 CGEDHM C#C[C@@H](CCC)Oc1nc(=S)[n-]c2sccc21 ZINC001229570907 932173598 /nfs/dbraw/zinc/17/35/98/932173598.db2.gz WXKBMDFFZRCDIV-QMMMGPOBSA-N -1 3 264.375 3.161 20 30 CGEDHM O=C(Cc1ccc(O)cc1)N([O-])Cc1ccccc1Cl ZINC001306893387 932891022 /nfs/dbraw/zinc/89/10/22/932891022.db2.gz VSEOUEFSKMPZIT-UHFFFAOYSA-N -1 3 291.734 3.006 20 30 CGEDHM CC[C@@H]1OCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001306900213 932893035 /nfs/dbraw/zinc/89/30/35/932893035.db2.gz KLSFPLKIPZNFCI-SJORKVTESA-N -1 3 299.370 3.373 20 30 CGEDHM [O-]c1cccc(Cl)c1C=NNCc1ccc(F)cc1 ZINC001319705760 933917050 /nfs/dbraw/zinc/91/70/50/933917050.db2.gz OYZIVMNFQMCYAG-UHFFFAOYSA-N -1 3 278.714 3.308 20 30 CGEDHM N#Cc1sc(NCc2c([O-])cccc2F)nc1Cl ZINC001472883080 937787950 /nfs/dbraw/zinc/78/79/50/937787950.db2.gz DZFBHAWOTMCNNQ-UHFFFAOYSA-N -1 3 283.715 3.125 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cccc(Cl)c1F ZINC001324977083 934878759 /nfs/dbraw/zinc/87/87/59/934878759.db2.gz BNEBJCLHZBYNMY-UHFFFAOYSA-N -1 3 277.673 3.307 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001332491908 935473955 /nfs/dbraw/zinc/47/39/55/935473955.db2.gz CWSNDZTUKJMJIO-GRYCIOLGSA-N -1 3 275.339 3.466 20 30 CGEDHM C=CC1(CC(=O)Nc2ncccc2[O-])CCCCC1 ZINC001567485523 961358234 /nfs/dbraw/zinc/35/82/34/961358234.db2.gz KNAREXWQIRIISL-UHFFFAOYSA-N -1 3 260.337 3.252 20 30 CGEDHM C=C(C)CCSc1ccc(C)cc1-c1nnn[n-]1 ZINC001588424960 963272610 /nfs/dbraw/zinc/27/26/10/963272610.db2.gz RZTCSHSRLMZAGE-UHFFFAOYSA-N -1 3 260.366 3.233 20 30 CGEDHM C=C(C)CCSc1ccc(C)cc1-c1nn[n-]n1 ZINC001588424960 963272629 /nfs/dbraw/zinc/27/26/29/963272629.db2.gz RZTCSHSRLMZAGE-UHFFFAOYSA-N -1 3 260.366 3.233 20 30 CGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC001588777086 963314796 /nfs/dbraw/zinc/31/47/96/963314796.db2.gz BZORFSWBIGELPC-UHFFFAOYSA-N -1 3 284.367 3.235 20 30 CGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001588777086 963314806 /nfs/dbraw/zinc/31/48/06/963314806.db2.gz BZORFSWBIGELPC-UHFFFAOYSA-N -1 3 284.367 3.235 20 30 CGEDHM C=CC[C@H]1N(C(=O)c2cc(F)c[n-]c2=O)CCCC1(C)C ZINC000621975402 349616168 /nfs/dbraw/zinc/61/61/68/349616168.db2.gz FJGZDXFVOPMECY-CYBMUJFWSA-N -1 3 292.354 3.133 20 30 CGEDHM Cc1nc(C2CC2)oc1C(=O)[N-]c1sccc1C#N ZINC000273445504 346412618 /nfs/dbraw/zinc/41/26/18/346412618.db2.gz DUYCFGAGWNLKBL-UHFFFAOYSA-N -1 3 273.317 3.046 20 30 CGEDHM N#CC1(Cc2nc(-c3ccc([O-])cc3)no2)CCCCC1 ZINC000594730690 347214196 /nfs/dbraw/zinc/21/41/96/347214196.db2.gz UTDMZEPSSHMNDA-UHFFFAOYSA-N -1 3 283.331 3.459 20 30 CGEDHM N#CC1(C(=O)Nc2ccc([O-])cc2Cl)CCCCC1 ZINC000597856682 347595907 /nfs/dbraw/zinc/59/59/07/347595907.db2.gz IGXPKTRJAYEVJK-UHFFFAOYSA-N -1 3 278.739 3.458 20 30 CGEDHM CN(Cc1cc([O-])ccc1Cl)CC(C)(C)C#N ZINC000599427292 347743990 /nfs/dbraw/zinc/74/39/90/347743990.db2.gz KPGPQSHPCITDRG-UHFFFAOYSA-N -1 3 252.745 3.027 20 30 CGEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(C#N)ccn2)c1 ZINC000339341051 215107011 /nfs/dbraw/zinc/10/70/11/215107011.db2.gz BDFZAQOAQJMCPD-UHFFFAOYSA-N -1 3 295.342 3.209 20 30 CGEDHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c([O-])c1C ZINC000610366624 348379826 /nfs/dbraw/zinc/37/98/26/348379826.db2.gz NAEQPHVLTOSEIQ-ZDUSSCGKSA-N -1 3 294.354 3.372 20 30 CGEDHM N#Cc1cccc(CC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000611101742 348422631 /nfs/dbraw/zinc/42/26/31/348422631.db2.gz DCALHLOWEDMSAW-UHFFFAOYSA-N -1 3 286.718 3.098 20 30 CGEDHM CC(C)c1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)c([O-])c1 ZINC000612366396 348512839 /nfs/dbraw/zinc/51/28/39/348512839.db2.gz QOUIBHSOWHAZTD-KRWDZBQOSA-N -1 3 286.375 3.281 20 30 CGEDHM C[C@@]1(C#N)CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000612566677 348528853 /nfs/dbraw/zinc/52/88/53/348528853.db2.gz ZCTFADGMUWBBLE-SFHVURJKSA-N -1 3 298.386 3.037 20 30 CGEDHM C=CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H](C)COC ZINC000617580658 348977259 /nfs/dbraw/zinc/97/72/59/348977259.db2.gz BLNYROVNNQZCIA-ZDUSSCGKSA-N -1 3 291.391 3.179 20 30 CGEDHM N#Cc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC000352020233 219289686 /nfs/dbraw/zinc/28/96/86/219289686.db2.gz GEXWSMOAGHXROI-WAYWQWQTSA-N -1 3 281.290 3.241 20 30 CGEDHM Cc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1C#N ZINC000352026596 219292683 /nfs/dbraw/zinc/29/26/83/219292683.db2.gz LIPOJEOACFYAOI-XVNBXDOJSA-N -1 3 277.327 3.410 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1cnc(C2CC2)s1 ZINC000336385276 213240399 /nfs/dbraw/zinc/24/03/99/213240399.db2.gz RCRUUDVLTRLTBU-UHFFFAOYSA-N -1 3 275.358 3.206 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1coc(Br)c1 ZINC000121345017 370852952 /nfs/dbraw/zinc/85/29/52/370852952.db2.gz NBLMZCSZVPKKRH-UHFFFAOYSA-N -1 3 297.133 3.228 20 30 CGEDHM C=C(C)COc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000092120848 370094789 /nfs/dbraw/zinc/09/47/89/370094789.db2.gz YKLHODVKDWKDBY-UHFFFAOYSA-N -1 3 299.326 3.305 20 30 CGEDHM CCC(CC)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000156315235 371971375 /nfs/dbraw/zinc/97/13/75/371971375.db2.gz NSDCOLYWDMHETJ-CQSZACIVSA-N -1 3 296.374 3.438 20 30 CGEDHM C=CCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000172642832 372999340 /nfs/dbraw/zinc/99/93/40/372999340.db2.gz DGAQBWMXGNNPRU-UHFFFAOYSA-N -1 3 280.393 3.122 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1cc(F)c(SC)c(F)c1 ZINC000181751015 374164062 /nfs/dbraw/zinc/16/40/62/374164062.db2.gz VVISAZJMYZBLIP-UHFFFAOYSA-N -1 3 293.360 3.005 20 30 CGEDHM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328654344 374375837 /nfs/dbraw/zinc/37/58/37/374375837.db2.gz LRYGDTYYRQBHKX-MWLCHTKSSA-N -1 3 290.342 3.370 20 30 CGEDHM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328654344 374375841 /nfs/dbraw/zinc/37/58/41/374375841.db2.gz LRYGDTYYRQBHKX-MWLCHTKSSA-N -1 3 290.342 3.370 20 30 CGEDHM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328654344 374375846 /nfs/dbraw/zinc/37/58/46/374375846.db2.gz LRYGDTYYRQBHKX-MWLCHTKSSA-N -1 3 290.342 3.370 20 30 CGEDHM O=C(NCc1ncccc1[O-])[C@@H]1CCCc2sccc21 ZINC000329922994 374442360 /nfs/dbraw/zinc/44/23/60/374442360.db2.gz IGRVHMWBKXXODK-LLVKDONJSA-N -1 3 288.372 3.425 20 30 CGEDHM C[C@H](NC(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000329924176 374442416 /nfs/dbraw/zinc/44/24/16/374442416.db2.gz HMNZKOCIKZMUHJ-QMMMGPOBSA-N -1 3 254.355 3.122 20 30 CGEDHM CCc1noc(C)c1[N-]C(=O)c1cncnc1C(C)C ZINC000330463794 374469051 /nfs/dbraw/zinc/46/90/51/374469051.db2.gz UKBWLXKIYFWQGQ-UHFFFAOYSA-N -1 3 274.324 3.095 20 30 CGEDHM N#CCCN(CC1CC1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185873955 374757850 /nfs/dbraw/zinc/75/78/50/374757850.db2.gz ZXDQLHFPXCMQHL-UHFFFAOYSA-N -1 3 298.386 3.037 20 30 CGEDHM Cc1csc([N-]C(=O)c2sccc2C#N)c1C#N ZINC000335141439 375166806 /nfs/dbraw/zinc/16/68/06/375166806.db2.gz ARGUILZAUXRRFI-UHFFFAOYSA-N -1 3 273.342 3.114 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000565246037 377485377 /nfs/dbraw/zinc/48/53/77/377485377.db2.gz LFUPHJDIWXBTEM-MFKMUULPSA-N -1 3 298.367 3.265 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N2CCC(CCC#N)CC2)c1 ZINC000567947316 377511218 /nfs/dbraw/zinc/51/12/18/377511218.db2.gz NRZVZGZWZZCXPZ-UHFFFAOYSA-N 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BZPMRDHJHWLAPF-UHFFFAOYSA-N -1 3 253.729 3.132 20 30 CGEDHM CCCc1ncc(C(=O)[N-]c2sccc2C#N)s1 ZINC000152022624 392493929 /nfs/dbraw/zinc/49/39/29/392493929.db2.gz RIMNDUMNXISHEH-UHFFFAOYSA-N -1 3 277.374 3.281 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1c(OC)ccc2ccccc21 ZINC000417624278 393350993 /nfs/dbraw/zinc/35/09/93/393350993.db2.gz JYLFPYJELXQLEM-CQSZACIVSA-N -1 3 299.370 3.357 20 30 CGEDHM C=C[C@@H](CCC(=O)[O-])NCc1c(Cl)cccc1CC ZINC000417621361 393351130 /nfs/dbraw/zinc/35/11/30/393351130.db2.gz FPZXXGGOAPFRFQ-LBPRGKRZSA-N -1 3 281.783 3.411 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(SCC)c1 ZINC000417632763 393352872 /nfs/dbraw/zinc/35/28/72/393352872.db2.gz WYZIHQHBEGYMFS-CYBMUJFWSA-N -1 3 279.405 3.308 20 30 CGEDHM CCCCCC[C@@H](C)NN=Cc1ccc(O)c([O-])c1O ZINC000743449225 572662970 /nfs/dbraw/zinc/66/29/70/572662970.db2.gz RENQTMVZFUSXCM-LLVKDONJSA-N -1 3 280.368 3.086 20 30 CGEDHM N#CC(=C([O-])c1ccccc1OC1CC1)c1ccccn1 ZINC000347762367 226241206 /nfs/dbraw/zinc/24/12/06/226241206.db2.gz WUFTWXJQEJSFGP-CQSZACIVSA-N -1 3 278.311 3.113 20 30 CGEDHM CCCCCc1cc(C([O-])=C(C#N)c2ccccn2)n[nH]1 ZINC000659028342 418958143 /nfs/dbraw/zinc/95/81/43/418958143.db2.gz KKPKRLAQFBQUBX-ZDUSSCGKSA-N -1 3 282.347 3.027 20 30 CGEDHM C=CCn1c(SCCC(C)(C)C2CC2)n[n-]c1=O ZINC000655491372 419054404 /nfs/dbraw/zinc/05/44/04/419054404.db2.gz AAZADMSHCVBQKA-UHFFFAOYSA-N -1 3 267.398 3.088 20 30 CGEDHM C=CCn1c(SCC2CCC(C)CC2)n[n-]c1=O ZINC000521374610 260090017 /nfs/dbraw/zinc/09/00/17/260090017.db2.gz BDXKUDXCLGSXLY-UHFFFAOYSA-N -1 3 267.398 3.088 20 30 CGEDHM CCS[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C(C)C ZINC000066629090 260247570 /nfs/dbraw/zinc/24/75/70/260247570.db2.gz SBEGCGWLVXYMAY-LURJTMIESA-N -1 3 296.318 3.189 20 30 CGEDHM CCS[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000066629090 260247572 /nfs/dbraw/zinc/24/75/72/260247572.db2.gz SBEGCGWLVXYMAY-LURJTMIESA-N -1 3 296.318 3.189 20 30 CGEDHM CCCOc1ccc(/C=N/[C@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000280965782 263065408 /nfs/dbraw/zinc/06/54/08/263065408.db2.gz ITADALPMXWKQJZ-FZNAGJORSA-N -1 3 277.364 3.025 20 30 CGEDHM C[C@H](C#N)CN(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294368997 263160447 /nfs/dbraw/zinc/16/04/47/263160447.db2.gz CBSHWUYVNIYCSA-CYBMUJFWSA-N -1 3 296.370 3.096 20 30 CGEDHM Cc1ccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000298757717 263225258 /nfs/dbraw/zinc/22/52/58/263225258.db2.gz BERYADOJPMNLOE-DKSCHZSNSA-N -1 3 284.359 3.076 20 30 CGEDHM C=CC[C@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000187877763 263285997 /nfs/dbraw/zinc/28/59/97/263285997.db2.gz KQJCVEZCMPTKKB-ZDUSSCGKSA-N -1 3 268.316 3.086 20 30 CGEDHM CC(C)c1ccc(C(=O)NC(C)(C)C(C)(C)O)c([O-])c1 ZINC000331228546 264151168 /nfs/dbraw/zinc/15/11/68/264151168.db2.gz FSHSVNPYIYPOFJ-UHFFFAOYSA-N -1 3 279.380 3.370 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@]2(C)CCO[C@H]2C)c([O-])c1 ZINC000331232169 264153092 /nfs/dbraw/zinc/15/30/92/264153092.db2.gz IVDXHGOCCFVHHI-MEDUHNTESA-N -1 3 277.364 3.388 20 30 CGEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000189034563 264269688 /nfs/dbraw/zinc/26/96/88/264269688.db2.gz LHUYSJPYEHBJNE-INIZCTEOSA-N -1 3 291.347 3.110 20 30 CGEDHM C=CCSCCNCc1cccc([O-])c1Cl ZINC000293560443 264955332 /nfs/dbraw/zinc/95/53/32/264955332.db2.gz MBTXRZMFHYINGV-UHFFFAOYSA-N -1 3 257.786 3.054 20 30 CGEDHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000426755363 298218624 /nfs/dbraw/zinc/21/86/24/298218624.db2.gz YRFOAJLRVNIMFC-GUYCJALGSA-N -1 3 294.354 3.110 20 30 CGEDHM C=CCC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCCC1 ZINC000563542668 328072492 /nfs/dbraw/zinc/07/24/92/328072492.db2.gz YFZSJOKJLILIJO-UHFFFAOYSA-N -1 3 295.346 3.396 20 30 CGEDHM Cc1c(N=Cc2ccccc2[O-])cccc1N1CCOC1=O ZINC000255438700 326972540 /nfs/dbraw/zinc/97/25/40/326972540.db2.gz GOMTUHKRJVHQBL-UHFFFAOYSA-N -1 3 296.326 3.408 20 30 CGEDHM C=CCN(Cc1ncccc1[O-])CC1CCCCC1 ZINC000569507213 327186886 /nfs/dbraw/zinc/18/68/86/327186886.db2.gz ILFHEVIGZCDCLM-UHFFFAOYSA-N -1 3 260.381 3.356 20 30 CGEDHM CC[C@@H](CC#N)NCc1ccc([O-])c2nc(C)ccc12 ZINC000569739167 327544050 /nfs/dbraw/zinc/54/40/50/327544050.db2.gz KRBLGVWAOWVVFF-ZDUSSCGKSA-N -1 3 269.348 3.031 20 30 CGEDHM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1ccccn1 ZINC000190832562 329549995 /nfs/dbraw/zinc/54/99/95/329549995.db2.gz MQJJGOITLRHLEC-LBPRGKRZSA-N -1 3 283.331 3.067 20 30 CGEDHM N#CC1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCCCC1 ZINC000436956433 330689816 /nfs/dbraw/zinc/68/98/16/330689816.db2.gz MPGKWWPILXPRCE-UHFFFAOYSA-N -1 3 298.386 3.227 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccc(OC(C)C)cc1 ZINC000493181008 332429519 /nfs/dbraw/zinc/42/95/19/332429519.db2.gz ANUPNJOKPGTCNY-ZWXCPPHNSA-N -1 3 275.348 3.109 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCc1ccc2ncccc2c1 ZINC000547435241 334088074 /nfs/dbraw/zinc/08/80/74/334088074.db2.gz INRDPXIUSBBFDQ-UHFFFAOYSA-N -1 3 298.371 3.010 20 30 CGEDHM C=C[C@](C)(CC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000567474824 334723442 /nfs/dbraw/zinc/72/34/42/334723442.db2.gz SNYHENVNXUPLTI-OAHLLOKOSA-N -1 3 261.321 3.136 20 30 CGEDHM C=CCN(CCCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000116341157 526273076 /nfs/dbraw/zinc/27/30/76/526273076.db2.gz WJAIEASIABVTHX-UHFFFAOYSA-N -1 3 273.785 3.254 20 30 CGEDHM CC1(O)CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000749843467 573045929 /nfs/dbraw/zinc/04/59/29/573045929.db2.gz CTPOUXYXCYYRLL-SXGWCWSVSA-N -1 3 267.756 3.158 20 30 CGEDHM Cc1cc(C(=O)/C=C2/COc3ccc(F)cc32)ccc1[O-] ZINC000729151691 571879622 /nfs/dbraw/zinc/87/96/22/571879622.db2.gz VVKPRPREQYORAR-GHXNOFRVSA-N -1 3 284.286 3.498 20 30 CGEDHM Cc1cccc2c1CC[C@@H]2/N=C\c1c([O-])c(C)ncc1CO ZINC000729641408 571926330 /nfs/dbraw/zinc/92/63/30/571926330.db2.gz HMTFERAOMMSFAI-WMEYIKMASA-N -1 3 296.370 3.003 20 30 CGEDHM CCOc1ccc(/C=N\Cc2ccc(C#N)cc2F)c([O-])c1 ZINC000729820261 571933858 /nfs/dbraw/zinc/93/38/58/571933858.db2.gz ZLGIWALYMKUVSA-JAIQZWGSSA-N -1 3 298.317 3.421 20 30 CGEDHM COC(=O)C1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000730148160 571950876 /nfs/dbraw/zinc/95/08/76/571950876.db2.gz YQFWCYDOYYZQHY-MFOYZWKCSA-N -1 3 295.766 3.196 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cccc(OCC#N)c2)ccc1[O-] ZINC000730149180 571951840 /nfs/dbraw/zinc/95/18/40/571951840.db2.gz COOJDLVGEASKKP-ALCCZGGFSA-N -1 3 293.322 3.499 20 30 CGEDHM O=[N+]([O-])c1cccc(NN=C2CCCc3cc([O-])ccc32)c1 ZINC000750917077 572335589 /nfs/dbraw/zinc/33/55/89/572335589.db2.gz YGNCIUHJHCVBIC-UHFFFAOYSA-N -1 3 297.314 3.453 20 30 CGEDHM C#CCOc1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1 ZINC000731052629 572392280 /nfs/dbraw/zinc/39/22/80/572392280.db2.gz CCPUPLJBYAQAAK-UHFFFAOYSA-N -1 3 295.338 3.219 20 30 CGEDHM COc1cccc([O-])c1/C=N/C[C@H]1CCOc2ccccc21 ZINC000731155154 572398240 /nfs/dbraw/zinc/39/82/40/572398240.db2.gz APWHVKXCFTWUAM-KZKLBEMASA-N -1 3 297.354 3.386 20 30 CGEDHM CC1(C)[C@H](/N=C\c2ccccc2[O-])[C@@H]2CCCO[C@@H]21 ZINC000741463343 572412436 /nfs/dbraw/zinc/41/24/36/572412436.db2.gz DIALJEPWRDFLRU-HUNRTVAJSA-N -1 3 259.349 3.015 20 30 CGEDHM CCOc1ccc(/C=N/C[C@@H](O)C(CC)CC)c([O-])c1 ZINC000731937990 572439012 /nfs/dbraw/zinc/43/90/12/572439012.db2.gz QJBKZZKMFCWVDL-FCNRDGCESA-N -1 3 279.380 3.007 20 30 CGEDHM N#Cc1ccccc1SCc1cccc(-c2nnn[n-]2)c1 ZINC000737727427 572484060 /nfs/dbraw/zinc/48/40/60/572484060.db2.gz LWMSIKNCOVFZOD-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1ccccc1SCc1cccc(-c2nn[n-]n2)c1 ZINC000737727427 572484063 /nfs/dbraw/zinc/48/40/63/572484063.db2.gz LWMSIKNCOVFZOD-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM CC1(C)[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@@H]2CCO[C@@H]21 ZINC000741165128 572487015 /nfs/dbraw/zinc/48/70/15/572487015.db2.gz GUVXUQXCXNGLSQ-NIQMNEJCSA-N -1 3 279.767 3.278 20 30 CGEDHM Cn1cccc1[C@@H](O)C/N=C\c1c([O-])ccc2ccccc21 ZINC000741466005 572500998 /nfs/dbraw/zinc/50/09/98/572500998.db2.gz ASKJCKQJPXXKLZ-FUDBJYBQSA-N -1 3 294.354 3.036 20 30 CGEDHM Cn1ccc2c1cccc2N=Cc1cccc([O-])c1O ZINC000726889657 572630016 /nfs/dbraw/zinc/63/00/16/572630016.db2.gz FZHOVSUTCSAVMQ-UHFFFAOYSA-N -1 3 266.300 3.340 20 30 CGEDHM COc1cccc([O-])c1/C=N\CC1Cc2ccccc2C1 ZINC000735228855 572706855 /nfs/dbraw/zinc/70/68/55/572706855.db2.gz JHIDAQGPMVWQPR-UNOMPAQXSA-N -1 3 281.355 3.235 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000735208080 572708981 /nfs/dbraw/zinc/70/89/81/572708981.db2.gz WGXILSLOUOZNBO-XHPSBEMXSA-N -1 3 284.359 3.253 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000735208229 572709058 /nfs/dbraw/zinc/70/90/58/572709058.db2.gz KWSKYFFDYABLMB-KSHIFHCESA-N -1 3 290.750 3.344 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=CC2CCCCC2)nc(C)n1 ZINC000735592609 572731169 /nfs/dbraw/zinc/73/11/69/572731169.db2.gz BZBJEUUNGCGZJQ-WHLNPGIBSA-N -1 3 283.375 3.406 20 30 CGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])C=CC1CCCCC1 ZINC000735594325 572731288 /nfs/dbraw/zinc/73/12/88/572731288.db2.gz XKCXNKHUVCMTJX-JNSOCZORSA-N -1 3 296.370 3.470 20 30 CGEDHM CC[C@@H](/N=C\c1c([O-])cccc1OC)C1CCOCC1 ZINC000746394818 572869262 /nfs/dbraw/zinc/86/92/62/572869262.db2.gz SHNJBEDMCGGDDR-RQNDZEIBSA-N -1 3 277.364 3.025 20 30 CGEDHM COc1cccc([O-])c1/C=N\CCCOC1CCCC1 ZINC000747033733 572905995 /nfs/dbraw/zinc/90/59/95/572905995.db2.gz UOMBGTMYHJIHSF-ATVHPVEESA-N -1 3 277.364 3.169 20 30 CGEDHM COCCON=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000748792328 572984436 /nfs/dbraw/zinc/98/44/36/572984436.db2.gz YYTADYIQXPOJRJ-UHFFFAOYSA-N -1 3 271.316 3.056 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CC[C@@H](C)c2ccccc2)c1[O-] ZINC000749748546 573029865 /nfs/dbraw/zinc/02/98/65/573029865.db2.gz HFCHTSJZPMCPII-OTGIAGGSSA-N -1 3 298.386 3.201 20 30 CGEDHM C=C(CC)CSCc1cccc(-c2nnn[n-]2)c1 ZINC000823883475 608298725 /nfs/dbraw/zinc/29/87/25/608298725.db2.gz QMZBFMIIVWTPTP-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM C=C(CC)CSCc1cccc(-c2nn[n-]n2)c1 ZINC000823883475 608298727 /nfs/dbraw/zinc/29/87/27/608298727.db2.gz QMZBFMIIVWTPTP-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM N#C[C@H](Sc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000822801608 599345443 /nfs/dbraw/zinc/34/54/43/599345443.db2.gz KWAXIJLHIXPAOC-AWEZNQCLSA-N -1 3 299.403 3.431 20 30 CGEDHM N#C[C@H](Sc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000822801608 599345445 /nfs/dbraw/zinc/34/54/45/599345445.db2.gz KWAXIJLHIXPAOC-AWEZNQCLSA-N -1 3 299.403 3.431 20 30 CGEDHM C=C(C)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819722493 606851991 /nfs/dbraw/zinc/85/19/91/606851991.db2.gz KIGPTFSKTMHULE-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM C=C(C)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819722493 606851993 /nfs/dbraw/zinc/85/19/93/606851993.db2.gz KIGPTFSKTMHULE-UHFFFAOYSA-N -1 3 266.757 3.188 20 30 CGEDHM CC(C)CCCC(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820242984 606988989 /nfs/dbraw/zinc/98/89/89/606988989.db2.gz SITDKLOWBFTBEL-UHFFFAOYSA-N -1 3 286.383 3.481 20 30 CGEDHM CC(C)CCCC(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820242984 606988990 /nfs/dbraw/zinc/98/89/90/606988990.db2.gz SITDKLOWBFTBEL-UHFFFAOYSA-N -1 3 286.383 3.481 20 30 CGEDHM CS[C@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091614 620761068 /nfs/dbraw/zinc/76/10/68/620761068.db2.gz DINMTRHRGAOQTJ-LLVKDONJSA-N -1 3 275.373 3.309 20 30 CGEDHM C[C@H]1C[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091592 620761386 /nfs/dbraw/zinc/76/13/86/620761386.db2.gz CPHIUIKYEMOANS-XHDPSFHLSA-N -1 3 255.317 3.214 20 30 CGEDHM CC(C)(C)C[C@H](O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000255367082 618222598 /nfs/dbraw/zinc/22/25/98/618222598.db2.gz MMISWUZBCDGEMW-LUMBYOQCSA-N -1 3 269.772 3.262 20 30 CGEDHM CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1[O-] ZINC000926531114 618726918 /nfs/dbraw/zinc/72/69/18/618726918.db2.gz GDRLDDGFTVPUJO-TUKIKUTGSA-N -1 3 296.374 3.207 20 30 CGEDHM C=CCCO[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000856030701 619116067 /nfs/dbraw/zinc/11/60/67/619116067.db2.gz MYNXYFCZRATNFB-UHFFFAOYSA-N -1 3 267.756 3.287 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccc(O)cc2)ccc1[O-] ZINC000008322713 619245116 /nfs/dbraw/zinc/24/51/16/619245116.db2.gz DSAIYCOKCDZCTB-XBXARRHUSA-N -1 3 270.284 3.003 20 30 CGEDHM Cc1cc([O-])c(CN2CCC[C@@H](C#N)C2)c(Cl)c1 ZINC000896507200 620019685 /nfs/dbraw/zinc/01/96/85/620019685.db2.gz ZJONFHAKJFUUCA-NSHDSACASA-N -1 3 264.756 3.090 20 30 CGEDHM C[C@@H]1CC[C@H](C/N=C/c2cc(Br)ccc2[O-])O1 ZINC000840711534 620139252 /nfs/dbraw/zinc/13/92/52/620139252.db2.gz XMVVMYUQFDPAOD-WBCAIHNWSA-N -1 3 298.180 3.141 20 30 CGEDHM O=C(c1ccc2ccncc2c1)N([O-])Cc1ccc(F)cc1 ZINC000901371361 620866715 /nfs/dbraw/zinc/86/67/15/620866715.db2.gz ARVRLNKDFFWKDL-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM Cc1cc(C(=O)C=Cc2nc(C(C)C)c[nH]2)ccc1[O-] ZINC000901470425 620897131 /nfs/dbraw/zinc/89/71/31/620897131.db2.gz QDHJRVGZIHEZJM-SREVYHEPSA-N -1 3 270.332 3.443 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cncn2C(C)C)cc(O)c1[O-] ZINC000901522680 620912352 /nfs/dbraw/zinc/91/23/52/620912352.db2.gz MUIXWJJBNUMGBT-PLNGDYQASA-N -1 3 286.331 3.080 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2cnn(C(C)C)c2)cc(O)c1[O-] ZINC000901525078 620913860 /nfs/dbraw/zinc/91/38/60/620913860.db2.gz SXUWDVHSTKLASH-SNAWJCMRSA-N -1 3 286.331 3.080 20 30 CGEDHM COC[C@@H](C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171013 621884021 /nfs/dbraw/zinc/88/40/21/621884021.db2.gz IAGPQTBVLCFXJQ-ZDUSSCGKSA-N -1 3 287.359 3.230 20 30 CGEDHM C[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)[C@H]1CCCO1 ZINC000904173186 621884531 /nfs/dbraw/zinc/88/45/31/621884531.db2.gz PDWNSWRCCRMDPL-CXAGYDPISA-N -1 3 299.370 3.373 20 30 CGEDHM Cc1ccc([C@H](C)C(=O)N([O-])Cc2ccc(F)cc2)o1 ZINC000904175955 621885020 /nfs/dbraw/zinc/88/50/20/621885020.db2.gz ZTONFRMBWIDLLJ-NSHDSACASA-N -1 3 277.295 3.249 20 30 CGEDHM CCCCCCN([O-])C(=O)CCc1cncc(C)c1 ZINC000904207238 621885932 /nfs/dbraw/zinc/88/59/32/621885932.db2.gz WNBHCCNLSLGNHP-UHFFFAOYSA-N -1 3 264.369 3.121 20 30 CGEDHM C[C@H]1CC[C@@H](CCC(=O)N([O-])Cc2ccccc2Cl)O1 ZINC000904188785 621886155 /nfs/dbraw/zinc/88/61/55/621886155.db2.gz NWCOUPNFEMLCAP-AAEUAGOBSA-N -1 3 297.782 3.406 20 30 CGEDHM O=C([C@@H]1CCC(F)(F)C1)N([O-])Cc1ccccc1Cl ZINC000904193965 621887337 /nfs/dbraw/zinc/88/73/37/621887337.db2.gz ZQRYOCGPGPRIRR-SECBINFHSA-N -1 3 289.709 3.493 20 30 CGEDHM CO[C@@H]1CCC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193051 621887457 /nfs/dbraw/zinc/88/74/57/621887457.db2.gz JYGMBDUDKXJPGH-WCQYABFASA-N -1 3 297.782 3.263 20 30 CGEDHM O=C(CC[C@H]1CCOC1)N([O-])CCCCc1ccccc1 ZINC000904197095 621888081 /nfs/dbraw/zinc/88/80/81/621888081.db2.gz RCYMEPUAYVIXJE-INIZCTEOSA-N -1 3 291.391 3.044 20 30 CGEDHM N#C[C@]1(C(=O)Nc2cc(F)ccc2[O-])CC2CCC1CC2 ZINC000907143794 622284063 /nfs/dbraw/zinc/28/40/63/622284063.db2.gz BFSRXVWIUINUCM-CLIRUNRCSA-N -1 3 288.322 3.190 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccs1)c1ccccn1 ZINC000046439286 622969503 /nfs/dbraw/zinc/96/95/03/622969503.db2.gz VFUOAICPZLKSFJ-NNNHXZLVSA-N -1 3 254.314 3.033 20 30 CGEDHM COc1cc(C(=O)/C=C/c2cnn(C(C)C)c2)ccc1[O-] ZINC000171981593 623205231 /nfs/dbraw/zinc/20/52/31/623205231.db2.gz XBBVETPHZMWPTB-GQCTYLIASA-N -1 3 286.331 3.074 20 30 CGEDHM CC(C)(C)Oc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000873518153 634399581 /nfs/dbraw/zinc/39/95/81/634399581.db2.gz DLFZQJQPXCSBMA-CQSZACIVSA-N -1 3 295.342 3.144 20 30 CGEDHM C#Cc1cccc(N(CC)C(=O)c2cc(OC)ccc2[O-])c1 ZINC000103028133 626202431 /nfs/dbraw/zinc/20/24/31/626202431.db2.gz DNFHKDUDNNKKKP-UHFFFAOYSA-N -1 3 295.338 3.049 20 30 CGEDHM [O-]c1ccc(C=NNc2ccc(Cl)c(F)c2)nc1 ZINC000755754438 626643109 /nfs/dbraw/zinc/64/31/09/626643109.db2.gz YDOKHBGDNOWLFB-UHFFFAOYSA-N -1 3 265.675 3.026 20 30 CGEDHM C#CCOc1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000761782906 627060136 /nfs/dbraw/zinc/06/01/36/627060136.db2.gz YDXUVVYFDUGBPN-UHFFFAOYSA-N -1 3 292.294 3.121 20 30 CGEDHM C[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCO1 ZINC000769552260 627565271 /nfs/dbraw/zinc/56/52/71/627565271.db2.gz SOAAEYDOVBLTOV-GYWXPKIXSA-N -1 3 253.729 3.032 20 30 CGEDHM C#CCOc1ccccc1NC(=O)c1cc(CC)ccc1[O-] ZINC000775942624 628152014 /nfs/dbraw/zinc/15/20/14/628152014.db2.gz GYGZIAYGMUNYAS-UHFFFAOYSA-N -1 3 295.338 3.219 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC2(C)CCCCCC2)c1[O-] ZINC000776256889 628185296 /nfs/dbraw/zinc/18/52/96/628185296.db2.gz GZVWHERNOYDMTO-ZDLGFXPLSA-N -1 3 290.407 3.367 20 30 CGEDHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1ccc(C#N)cc1 ZINC000782005742 628609184 /nfs/dbraw/zinc/60/91/84/628609184.db2.gz COSKVOBUWXXVOW-LLVKDONJSA-N -1 3 267.284 3.182 20 30 CGEDHM C=CCCCCCO[N-]C(=O)Cc1ccc(C)cc1 ZINC000783029688 628673541 /nfs/dbraw/zinc/67/35/41/628673541.db2.gz PBOZIDHYTBZHEO-UHFFFAOYSA-N -1 3 261.365 3.332 20 30 CGEDHM C#C[C@@H](CCC)/N=C/c1cc(Br)ccc1[O-] ZINC000790100727 629183783 /nfs/dbraw/zinc/18/37/83/629183783.db2.gz XWRMGCVAEKDLGG-DGGAMASNSA-N -1 3 280.165 3.376 20 30 CGEDHM N#CCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792174265 629344745 /nfs/dbraw/zinc/34/47/45/629344745.db2.gz PHBSIBQKHNDKBN-UHFFFAOYSA-N -1 3 282.746 3.310 20 30 CGEDHM S=c1[n-]c2ccccc2nc1N=NC1CCCOCC1 ZINC000863128348 629481238 /nfs/dbraw/zinc/48/12/38/629481238.db2.gz LCNVSUQIWNMWRP-UHFFFAOYSA-N -1 3 288.376 3.261 20 30 CGEDHM CC1(C)SC[C@@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000801645721 630349246 /nfs/dbraw/zinc/34/92/46/630349246.db2.gz FPOZXCSTYXFYRY-REPOHMLUSA-N -1 3 255.770 3.359 20 30 CGEDHM C=CCCCCCC/N=C\c1c([O-])c(C)ncc1CO ZINC000804599035 630541753 /nfs/dbraw/zinc/54/17/53/630541753.db2.gz UALHGYLROVMOMY-BOPFTXTBSA-N -1 3 276.380 3.143 20 30 CGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(C)(C)C ZINC000807881677 630602930 /nfs/dbraw/zinc/60/29/30/630602930.db2.gz PEQADMURTBHLKA-GFCCVEGCSA-N -1 3 283.293 3.082 20 30 CGEDHM [O-]c1ccc2c(c1F)CCC2=NOCCC(F)(F)F ZINC000807983774 630611678 /nfs/dbraw/zinc/61/16/78/630611678.db2.gz XAWMLRNIIJEXBA-UHFFFAOYSA-N -1 3 277.217 3.151 20 30 CGEDHM N#CC1(OC(=O)c2cc3cc(Cl)sc3[n-]2)CCC1 ZINC000810624228 630909279 /nfs/dbraw/zinc/90/92/79/630909279.db2.gz NLGOGBZWWDIJQP-UHFFFAOYSA-N -1 3 280.736 3.486 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCCCc2ccsc2)c1 ZINC000811184526 631040473 /nfs/dbraw/zinc/04/04/73/631040473.db2.gz PYCGZYLBNLTUOS-UHFFFAOYSA-N -1 3 287.340 3.115 20 30 CGEDHM C=CCO[N-]C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC000837048291 634847903 /nfs/dbraw/zinc/84/79/03/634847903.db2.gz QYFIHXKEZABQGX-LSDHHAIUSA-N -1 3 283.412 3.376 20 30 CGEDHM C#CCN(Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000816517139 632001800 /nfs/dbraw/zinc/00/18/00/632001800.db2.gz FPDMVZFGNZGHMA-UHFFFAOYSA-N -1 3 263.768 3.423 20 30 CGEDHM N#CCCN(CCC#N)Cc1ccc2ccccc2c1[O-] ZINC000816560248 632012620 /nfs/dbraw/zinc/01/26/20/632012620.db2.gz JESJYPXBWCDAFA-UHFFFAOYSA-N -1 3 279.343 3.175 20 30 CGEDHM CCCC(C)(C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692004 633627599 /nfs/dbraw/zinc/62/75/99/633627599.db2.gz VIVXTHWYEXIKDL-UHFFFAOYSA-N -1 3 260.337 3.185 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C2=CC[C@H](C)CC2)nc(C)n1 ZINC000835060602 634341984 /nfs/dbraw/zinc/34/19/84/634341984.db2.gz RXBPPLSCHZAZAC-IINYFYTJSA-N -1 3 269.348 3.016 20 30 CGEDHM COCC[C@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000840710938 635039603 /nfs/dbraw/zinc/03/96/03/635039603.db2.gz NOXREJZDWWCPHX-CNOAHFENSA-N -1 3 255.745 3.137 20 30 CGEDHM Cc1cccnc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000105356213 635785576 /nfs/dbraw/zinc/78/55/76/635785576.db2.gz AHYRGCQZFGBLRV-LZYBPNLTSA-N -1 3 260.724 3.368 20 30 CGEDHM C=C[C@H](C)ON=Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000844623405 635945492 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C=CCCO[N-]C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000856034303 638289671 /nfs/dbraw/zinc/28/96/71/638289671.db2.gz KVQYKFXKVCGEMI-UHFFFAOYSA-N -1 3 279.767 3.287 20 30 CGEDHM CC[C@@H](NCc1ncccc1F)c1cccc(C#N)c1[O-] ZINC000925599307 638541429 /nfs/dbraw/zinc/54/14/29/638541429.db2.gz RMQAHOZWPDTDCK-CQSZACIVSA-N -1 3 285.322 3.039 20 30 CGEDHM C[C@@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000074374544 638889669 /nfs/dbraw/zinc/88/96/69/638889669.db2.gz JWGJXFIFGRTRBP-VHWUNXFSSA-N -1 3 289.762 3.372 20 30 CGEDHM C=C[C@](C)(O)CNc1cc(Cl)c([O-])cc1Cl ZINC001252564368 806067571 /nfs/dbraw/zinc/06/75/71/806067571.db2.gz FZCJBEQSKJLDIN-NSHDSACASA-N -1 3 262.136 3.048 20 30 CGEDHM N#CCc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000313438440 799231590 /nfs/dbraw/zinc/23/15/90/799231590.db2.gz DSAIKIJSLZYQNK-UHFFFAOYSA-N -1 3 286.718 3.364 20 30 CGEDHM N#Cc1cc(-c2ccc3c(c2)CCCO3)ccc1[O-] ZINC000711117240 800047163 /nfs/dbraw/zinc/04/71/63/800047163.db2.gz ZGAKATVQVWACKQ-UHFFFAOYSA-N -1 3 251.285 3.256 20 30 CGEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1[O-] ZINC001181453989 810053690 /nfs/dbraw/zinc/05/36/90/810053690.db2.gz LNVIEVGEGZSQEE-HUUCEWRRSA-N -1 3 278.311 3.006 20 30 CGEDHM CCCCN([O-])C(=O)CCCc1ccc(F)c(F)c1 ZINC001184315248 810191477 /nfs/dbraw/zinc/19/14/77/810191477.db2.gz WHCQARBIHDNQIY-UHFFFAOYSA-N -1 3 271.307 3.305 20 30 CGEDHM CC(C)Oc1ccccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001122713726 802882069 /nfs/dbraw/zinc/88/20/69/802882069.db2.gz DIYXDSSHLHQWCA-ZDUSSCGKSA-N -1 3 298.317 3.498 20 30 CGEDHM CCOC(=O)c1ccccc1-c1ccccc1C=N[O-] ZINC001244028559 803149890 /nfs/dbraw/zinc/14/98/90/803149890.db2.gz DATIJNNYTAWPPF-UHFFFAOYSA-N -1 3 269.300 3.338 20 30 CGEDHM N#Cc1c[nH]c2cc(-c3cc(Cl)ccc3[O-])cnc12 ZINC001245055934 803624360 /nfs/dbraw/zinc/62/43/60/803624360.db2.gz YEAUGIVBDOZSKA-UHFFFAOYSA-N -1 3 269.691 3.461 20 30 CGEDHM C=CCNC(=O)c1ccc(-c2ccc([O-])cc2Cl)nc1 ZINC001245077710 803634117 /nfs/dbraw/zinc/63/41/17/803634117.db2.gz BODNHMBQMQBSPB-UHFFFAOYSA-N -1 3 288.734 3.023 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001137774789 803771041 /nfs/dbraw/zinc/77/10/41/803771041.db2.gz KCUORMUPHMQQAU-YFHOEESVSA-N -1 3 299.301 3.061 20 30 CGEDHM CCCCN(CCC#N)Cc1cccc(F)c1[O-] ZINC001138127667 803862642 /nfs/dbraw/zinc/86/26/42/803862642.db2.gz KRSIZWWPBISPLL-UHFFFAOYSA-N -1 3 250.317 3.047 20 30 CGEDHM N#Cc1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)ccc1[O-] ZINC001144303823 804972029 /nfs/dbraw/zinc/97/20/29/804972029.db2.gz ONTSBQBOQNVIPA-WOPDTQHZSA-N -1 3 270.332 3.029 20 30 CGEDHM COc1ccc2[nH]c(Nc3cc(C#N)ccc3[O-])cc2c1 ZINC001249886639 805279528 /nfs/dbraw/zinc/27/95/28/805279528.db2.gz XODISPPJEZQAOE-UHFFFAOYSA-N -1 3 279.299 3.497 20 30 CGEDHM [O-]/N=C/c1cccc(N[C@H]2CCCC(F)(F)C2)c1 ZINC001169217723 807605092 /nfs/dbraw/zinc/60/50/92/807605092.db2.gz GOOHSETZMMZUNO-RGZVIEDOSA-N -1 3 254.280 3.485 20 30 CGEDHM C[C@](C#N)(Nc1ccc(=S)[n-]n1)c1ccccc1Cl ZINC001169378886 807635947 /nfs/dbraw/zinc/63/59/47/807635947.db2.gz CKWNMPBICKRAGZ-CYBMUJFWSA-N -1 3 290.779 3.270 20 30 CGEDHM CC(C)(S)CNc1ccc2c(c1)[N-]C(=S)C2 ZINC001170309559 807825404 /nfs/dbraw/zinc/82/54/04/807825404.db2.gz XFQURAZOXAZXBM-UHFFFAOYSA-N -1 3 252.408 3.102 20 30 CGEDHM N#CCCc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001262158865 807828951 /nfs/dbraw/zinc/82/89/51/807828951.db2.gz ADGOIOPZNQHSTF-UHFFFAOYSA-N -1 3 294.358 3.128 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2c(C)cc(C#N)cc2C)n1 ZINC001263284028 807943263 /nfs/dbraw/zinc/94/32/63/807943263.db2.gz SCFCQVNNEBXQEU-ZDUSSCGKSA-N -1 3 295.367 3.430 20 30 CGEDHM COc1ccc(Nc2ccc([O-])c(F)c2)cc1C#N ZINC001174738212 809147259 /nfs/dbraw/zinc/14/72/59/809147259.db2.gz PHPQBGUFZGGFGZ-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cncc(C(F)(F)F)c2)c1 ZINC001174744467 809149939 /nfs/dbraw/zinc/14/99/39/809149939.db2.gz MECIEDBMERKCKB-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM N#Cc1cc(Nc2ccc3occc(=O)c3c2)ccc1[O-] ZINC001174947076 809211805 /nfs/dbraw/zinc/21/18/05/809211805.db2.gz YELPZOKWLYCWBY-UHFFFAOYSA-N -1 3 278.267 3.114 20 30 CGEDHM CC(C)n1ncc(C#N)c1Nc1c(F)cc([O-])cc1F ZINC001175098845 809269754 /nfs/dbraw/zinc/26/97/54/809269754.db2.gz QBHWETZSUGTCRZ-UHFFFAOYSA-N -1 3 278.262 3.063 20 30 CGEDHM N#Cc1c(Cl)cccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430021 809401860 /nfs/dbraw/zinc/40/18/60/809401860.db2.gz AONHVULWBIFWAX-UHFFFAOYSA-N -1 3 296.721 3.135 20 30 CGEDHM Cc1ccccc1[C@H](C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC001302371528 809593804 /nfs/dbraw/zinc/59/38/04/809593804.db2.gz JROINLRVYSHJGH-CQSZACIVSA-N -1 3 294.354 3.471 20 30 CGEDHM CCCCCCC[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC001181132396 810039428 /nfs/dbraw/zinc/03/94/28/810039428.db2.gz BXVVBKPITVYUJK-CYBMUJFWSA-N -1 3 278.396 3.400 20 30 CGEDHM CC(C)(Cc1ccccc1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001182606406 810117349 /nfs/dbraw/zinc/11/73/49/810117349.db2.gz XTVMISZRZGAHAS-UHFFFAOYSA-N -1 3 294.354 3.471 20 30 CGEDHM Cc1ccc(CC(=O)N([O-])CCCCc2ccccc2)cn1 ZINC001184293383 810189018 /nfs/dbraw/zinc/18/90/18/810189018.db2.gz QNIPMTUIGMJERI-UHFFFAOYSA-N -1 3 298.386 3.173 20 30 CGEDHM CCCCCCN(O)C(=O)c1cccc(C)c1[O-] ZINC001184305475 810189797 /nfs/dbraw/zinc/18/97/97/810189797.db2.gz KKZRQFPWMWWQOL-UHFFFAOYSA-N -1 3 251.326 3.112 20 30 CGEDHM Cc1cc(C#N)cc(C)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001184348077 810195180 /nfs/dbraw/zinc/19/51/80/810195180.db2.gz JHCZHTNMAYLDGJ-UHFFFAOYSA-N -1 3 298.317 3.346 20 30 CGEDHM N#Cc1cc(NC(=O)c2ccccc2C(F)F)ccc1[O-] ZINC001188284706 810473665 /nfs/dbraw/zinc/47/36/65/810473665.db2.gz NWGHSMAFBCLVSQ-UHFFFAOYSA-N -1 3 288.253 3.454 20 30 CGEDHM C#Cc1ccc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214559897 815424254 /nfs/dbraw/zinc/42/42/54/815424254.db2.gz VAKFMQKTZUDRBZ-UHFFFAOYSA-N -1 3 262.671 3.305 20 30 CGEDHM Cc1coc([N-]C(=O)c2c(C)noc2C(C)C)c1C#N ZINC001197351173 811420109 /nfs/dbraw/zinc/42/01/09/811420109.db2.gz IGHFHGOUQBIIOC-UHFFFAOYSA-N -1 3 273.292 3.132 20 30 CGEDHM N#Cc1cnoc1[N-]C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001202290280 812057588 /nfs/dbraw/zinc/05/75/88/812057588.db2.gz JSGHGIZUANCVFA-UHFFFAOYSA-N -1 3 296.208 3.209 20 30 CGEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1cc(F)ccc1F ZINC001202658304 812148198 /nfs/dbraw/zinc/14/81/98/812148198.db2.gz GCPBQMNAOILZDL-UHFFFAOYSA-N -1 3 289.241 3.186 20 30 CGEDHM N#C[C@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC001203645919 812413646 /nfs/dbraw/zinc/41/36/46/812413646.db2.gz WMPDPDDGFGECPM-GFCCVEGCSA-N -1 3 295.180 3.033 20 30 CGEDHM C[C@H](O)CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205777740 813075893 /nfs/dbraw/zinc/07/58/93/813075893.db2.gz MZLOKNVKBDGQKY-YBSQEQSUSA-N -1 3 285.343 3.004 20 30 CGEDHM N#CC1(c2ccc(-c3ccc([O-])cc3F)nc2)CC1 ZINC001206030248 813172368 /nfs/dbraw/zinc/17/23/68/813172368.db2.gz RJWNWKLWQORHJS-UHFFFAOYSA-N -1 3 254.264 3.148 20 30 CGEDHM [O-]N=Cc1cccc(-c2cc3n[nH]cc3c(F)c2)c1 ZINC001206587697 813365146 /nfs/dbraw/zinc/36/51/46/813365146.db2.gz UTRXHJFOAOXRMM-REZTVBANSA-N -1 3 255.252 3.177 20 30 CGEDHM N#Cc1cnn(-c2ccccc2)c1Nc1ccc(F)cc1[O-] ZINC001210016341 814245854 /nfs/dbraw/zinc/24/58/54/814245854.db2.gz KCGXWOQMIDJJAO-UHFFFAOYSA-N 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ZPIDWHXFCLBQDD-CQSZACIVSA-N -1 3 258.321 3.257 20 30 CGEDHM CC(C)=CCC[C@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225469464 817062130 /nfs/dbraw/zinc/06/21/30/817062130.db2.gz KCSQSOGYAUTNHE-LBPRGKRZSA-N -1 3 260.337 3.481 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cccc(CO)c3F)ccc21 ZINC001243141846 823261521 /nfs/dbraw/zinc/26/15/21/823261521.db2.gz HEJCFRVBYSMZHA-SDXDJHTJSA-N -1 3 271.291 3.110 20 30 CGEDHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1C#N ZINC001227061405 817547269 /nfs/dbraw/zinc/54/72/69/817547269.db2.gz CXIQXLUPHUJWLT-JTQLQIEISA-N -1 3 285.372 3.339 20 30 CGEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001227351712 817631062 /nfs/dbraw/zinc/63/10/62/817631062.db2.gz XTJJHCYHOARKED-SNVBAGLBSA-N -1 3 284.271 3.312 20 30 CGEDHM COc1ccc([C@@H](C)Oc2cc(C#N)ccc2[O-])cc1OC ZINC001227351203 817631331 /nfs/dbraw/zinc/63/13/31/817631331.db2.gz SQGJGIJTLOTFQX-LLVKDONJSA-N -1 3 299.326 3.421 20 30 CGEDHM C[C@H](CC(C)(C)S)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743558 817709758 /nfs/dbraw/zinc/70/97/58/817709758.db2.gz UGCIMCBENSLRPA-MRVPVSSYSA-N -1 3 295.364 3.337 20 30 CGEDHM C[C@H](CC(C)(C)S)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743558 817709760 /nfs/dbraw/zinc/70/97/60/817709760.db2.gz UGCIMCBENSLRPA-MRVPVSSYSA-N -1 3 295.364 3.337 20 30 CGEDHM C#C[C@H](CC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228153573 817826123 /nfs/dbraw/zinc/82/61/23/817826123.db2.gz GRYZGNKCCORSSK-OAHLLOKOSA-N -1 3 280.323 3.414 20 30 CGEDHM C=CCC[C@@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689067 817973177 /nfs/dbraw/zinc/97/31/77/817973177.db2.gz PKKOZNGQAQFTLB-SNVBAGLBSA-N -1 3 266.297 3.127 20 30 CGEDHM C#C[C@H](CCCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854596 818023182 /nfs/dbraw/zinc/02/31/82/818023182.db2.gz UFKRYYQRHQLHEJ-GFCCVEGCSA-N -1 3 258.317 3.092 20 30 CGEDHM C#C[C@@H](CCC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233496889 818627802 /nfs/dbraw/zinc/62/78/02/818627802.db2.gz CHTOLNQVCLOOPZ-QMMMGPOBSA-N -1 3 293.710 3.305 20 30 CGEDHM CCCC[C@@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233799519 818707064 /nfs/dbraw/zinc/70/70/64/818707064.db2.gz KKQNFRYDDCGGQU-HGLKBHAMSA-N -1 3 251.326 3.461 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CC2CCC1CC2 ZINC001233802551 818708404 /nfs/dbraw/zinc/70/84/04/818708404.db2.gz HIQDZHLEBYAMDF-JYVSKKGGSA-N -1 3 275.348 3.461 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001233803313 818708722 /nfs/dbraw/zinc/70/87/22/818708722.db2.gz NTNAMSMDYYTKMB-QWGHTAGUSA-N -1 3 275.348 3.317 20 30 CGEDHM COC(=O)c1ccc([C@@H](C)Oc2cc([O-])cc(C#N)c2)cc1 ZINC001234140868 818788153 /nfs/dbraw/zinc/78/81/53/818788153.db2.gz KTEYWOWCGWVEFC-LLVKDONJSA-N -1 3 297.310 3.190 20 30 CGEDHM C=C(C)C(=O)OC[C@@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234263435 818819543 /nfs/dbraw/zinc/81/95/43/818819543.db2.gz BBVPTENXPSPMCZ-MRVPVSSYSA-N -1 3 288.702 3.071 20 30 CGEDHM C#C[C@H](Oc1c(Cl)ccc([O-])c1F)c1ccncc1 ZINC001234262673 818819947 /nfs/dbraw/zinc/81/99/47/818819947.db2.gz DCPLEFQBWWLMDY-LBPRGKRZSA-N 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275.315 3.161 20 30 CGEDHM C[C@@H](C#N)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241444532 821838065 /nfs/dbraw/zinc/83/80/65/821838065.db2.gz FLCZWTTXDBEKDR-NSHDSACASA-N -1 3 275.315 3.161 20 30 CGEDHM Cc1c2c[nH]nc2ccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001241477054 821876794 /nfs/dbraw/zinc/87/67/94/821876794.db2.gz TUUZZWFVJXKSTM-CNHKJKLMSA-N -1 3 269.279 3.486 20 30 CGEDHM CO/N=C/c1cc(-c2cccc(F)c2[O-])ccc1F ZINC001242353806 822963076 /nfs/dbraw/zinc/96/30/76/822963076.db2.gz QKCGUPSVSYYURU-CAOOACKPSA-N -1 3 263.243 3.318 20 30 CGEDHM Cc1cc(N(C)C)ccc1-c1ccc([O-])c(C#N)c1 ZINC001242565560 823036000 /nfs/dbraw/zinc/03/60/00/823036000.db2.gz KCEZCZSROUCYMT-UHFFFAOYSA-N -1 3 252.317 3.305 20 30 CGEDHM C=CC(=O)Oc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565713 823036251 /nfs/dbraw/zinc/03/62/51/823036251.db2.gz AUHALFGAMIZSOI-UHFFFAOYSA-N -1 3 265.268 3.022 20 30 CGEDHM N#CC1(OC(=O)c2cccc3[n-]c(C(F)F)nc32)CCC1 ZINC001347469690 936885275 /nfs/dbraw/zinc/88/52/75/936885275.db2.gz AJXOQAXNQDCSBF-UHFFFAOYSA-N -1 3 291.257 3.104 20 30 CGEDHM CCCCN([O-])C(=O)c1cc(C)n(C2CCCCC2)n1 ZINC001161831453 931986962 /nfs/dbraw/zinc/98/69/62/931986962.db2.gz ALYKDNWDVOLKGP-UHFFFAOYSA-N -1 3 279.384 3.328 20 30 CGEDHM C=C[C@@H](CC)Oc1cccc([O-])c1Br ZINC001229140292 932104196 /nfs/dbraw/zinc/10/41/96/932104196.db2.gz ZQYHKMKHAZKHID-QMMMGPOBSA-N -1 3 257.127 3.498 20 30 CGEDHM N#C[C@H]1CC[C@@H](Oc2nc(=S)[n-]c3sccc32)C1 ZINC001229562398 932172622 /nfs/dbraw/zinc/17/26/22/932172622.db2.gz AATIHBBRBOIFBA-JGVFFNPUSA-N -1 3 277.374 3.051 20 30 CGEDHM C#C[C@@H]1CCC[C@@H]1Oc1nc(=S)[n-]c2sccc21 ZINC001229569542 932173174 /nfs/dbraw/zinc/17/31/74/932173174.db2.gz KJLAUZCNXKYLKW-SCZZXKLOSA-N -1 3 276.386 3.161 20 30 CGEDHM C=C[C@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229570105 932173310 /nfs/dbraw/zinc/17/33/10/932173310.db2.gz PIMMJCYBMRVXLU-SSDOTTSWSA-N -1 3 252.364 3.323 20 30 CGEDHM COC1CCC(Oc2ccccc2/C(C)=N/[O-])CC1 ZINC001229736676 932476187 /nfs/dbraw/zinc/47/61/87/932476187.db2.gz HKDPQNZZBKZZAN-LFIBNONCSA-N -1 3 263.337 3.221 20 30 CGEDHM C#C[C@@H](NCc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001462275212 937629019 /nfs/dbraw/zinc/62/90/19/937629019.db2.gz GVLVGQDIHSGKDG-OAHLLOKOSA-N -1 3 291.272 3.274 20 30 CGEDHM C#Cc1ccc(CNC(=O)c2cc(SC)ccc2[O-])cc1 ZINC001468179262 937725470 /nfs/dbraw/zinc/72/54/70/937725470.db2.gz RZLKZFQXYOJTMJ-UHFFFAOYSA-N -1 3 297.379 3.025 20 30 CGEDHM CCc1cccnc1C(=O)N([O-])Cc1ccccc1Cl ZINC001472620384 937778660 /nfs/dbraw/zinc/77/86/60/937778660.db2.gz ZZYXZXDGJINDFT-UHFFFAOYSA-N -1 3 290.750 3.329 20 30 CGEDHM C=C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC001545635261 938150237 /nfs/dbraw/zinc/15/02/37/938150237.db2.gz ZZGRNMHNATWTMF-CQSZACIVSA-N -1 3 285.318 3.117 20 30 CGEDHM C#C[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(C)(C)C ZINC001556851264 938206174 /nfs/dbraw/zinc/20/61/74/938206174.db2.gz MIYMZUMVFRJVGT-OAHLLOKOSA-N -1 3 273.376 3.293 20 30 CGEDHM C=C(CNC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC001556904783 938206430 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ZINC001588345749 963270760 /nfs/dbraw/zinc/27/07/60/963270760.db2.gz QAZHOODRXIMYLY-LLVKDONJSA-N -1 3 272.377 3.074 20 30 CGEDHM C=CC[C@@H]1CC[C@H](Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588559089 963282716 /nfs/dbraw/zinc/28/27/16/963282716.db2.gz HDINXRYUBBDXEP-NEPJUHHUSA-N -1 3 299.378 3.032 20 30 CGEDHM C=CC[C@@H]1CC[C@H](Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588559089 963282727 /nfs/dbraw/zinc/28/27/27/963282727.db2.gz HDINXRYUBBDXEP-NEPJUHHUSA-N -1 3 299.378 3.032 20 30 CGEDHM C=CCC[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588578147 963285598 /nfs/dbraw/zinc/28/55/98/963285598.db2.gz XIBWFZYKOIUKEI-NSHDSACASA-N -1 3 287.367 3.032 20 30 CGEDHM C=CCC[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588578147 963285602 /nfs/dbraw/zinc/28/56/02/963285602.db2.gz XIBWFZYKOIUKEI-NSHDSACASA-N -1 3 287.367 3.032 20 30 CGEDHM N#Cc1cccc(C(=O)[N-]c2c(F)cc(Cl)cc2F)n1 ZINC000589791289 346811834 /nfs/dbraw/zinc/81/18/34/346811834.db2.gz XGHNDXWVVHHNRH-UHFFFAOYSA-N -1 3 293.660 3.137 20 30 CGEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(F)c[n-]c1=O ZINC000621866378 349598288 /nfs/dbraw/zinc/59/82/88/349598288.db2.gz UEAUOAHRLSPOJN-UHFFFAOYSA-N -1 3 292.354 3.135 20 30 CGEDHM CCc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000436807519 529607751 /nfs/dbraw/zinc/60/77/51/529607751.db2.gz IKPJZHAMYFOSAI-GFCCVEGCSA-N -1 3 294.354 3.317 20 30 CGEDHM CN(C)[C@@H](C/N=C/c1ccccc1[O-])c1ccsc1 ZINC000075580894 345513913 /nfs/dbraw/zinc/51/39/13/345513913.db2.gz BDPAIRRBEPLKBE-FSEGOYHTSA-N -1 3 274.389 3.176 20 30 CGEDHM N#Cc1[n-]c(=NCC2CCC(F)(F)CC2)sc1Cl ZINC000596228000 347401033 /nfs/dbraw/zinc/40/10/33/347401033.db2.gz UVRKIWGJSQBKOO-UHFFFAOYSA-N -1 3 291.754 3.327 20 30 CGEDHM C=CCCSCCNC(=O)c1cc(SC)ccc1[O-] ZINC000597973577 347611793 /nfs/dbraw/zinc/61/17/93/347611793.db2.gz HYXJFLQNNYUJAS-UHFFFAOYSA-N -1 3 297.445 3.153 20 30 CGEDHM C[C@@H](C#N)CN(Cc1cc([O-])ccc1Cl)C1CC1 ZINC000599336536 347737012 /nfs/dbraw/zinc/73/70/12/347737012.db2.gz PELPUFGKMDXUMR-JTQLQIEISA-N -1 3 264.756 3.170 20 30 CGEDHM CC(C)c1cnc(S(=O)(=O)CCCCC(C)(C)C#N)[n-]1 ZINC000600892571 347843554 /nfs/dbraw/zinc/84/35/54/347843554.db2.gz UOTPOZGWMBFTJQ-UHFFFAOYSA-N -1 3 297.424 3.027 20 30 CGEDHM CC(C)c1c[n-]c(S(=O)(=O)CCCCC(C)(C)C#N)n1 ZINC000600892571 347843556 /nfs/dbraw/zinc/84/35/56/347843556.db2.gz UOTPOZGWMBFTJQ-UHFFFAOYSA-N -1 3 297.424 3.027 20 30 CGEDHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)cc(C#N)c1 ZINC000601979560 347931486 /nfs/dbraw/zinc/93/14/86/347931486.db2.gz PGTCPAJZKNCMIG-ZDUSSCGKSA-N -1 3 284.356 3.018 20 30 CGEDHM Cc1noc(C(F)F)c1C(=O)[N-]c1ccccc1C#N ZINC000610432202 348383472 /nfs/dbraw/zinc/38/34/72/348383472.db2.gz UISYNQMOHHFLEW-UHFFFAOYSA-N -1 3 277.230 3.045 20 30 CGEDHM CC(C)(C#N)CCCO[N-]C(=O)CCCc1ccccc1 ZINC000158127402 188358653 /nfs/dbraw/zinc/35/86/53/188358653.db2.gz NQVQPVZTLGUPBW-UHFFFAOYSA-N -1 3 288.391 3.387 20 30 CGEDHM N#Cc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)o1 ZINC000336312732 213154715 /nfs/dbraw/zinc/15/47/15/213154715.db2.gz DELVAYOJZOWZJS-UHFFFAOYSA-N -1 3 296.204 3.128 20 30 CGEDHM N#Cc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)cc1 ZINC000493589882 244193706 /nfs/dbraw/zinc/19/37/06/244193706.db2.gz TVDWPPJAYBLZTC-CMDGGOBGSA-N -1 3 282.274 3.055 20 30 CGEDHM N#CC(=C([O-])c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 ZINC000046706264 369295826 /nfs/dbraw/zinc/29/58/26/369295826.db2.gz PHXXYNFWWZEMSF-LBPRGKRZSA-N -1 3 297.264 3.331 20 30 CGEDHM CCc1nc([C@H](C)/N=C/c2ccc(O)c([O-])c2O)cs1 ZINC000110129750 370370467 /nfs/dbraw/zinc/37/04/67/370370467.db2.gz SEGCEPLMCUVSFO-VLYAYIKJSA-N -1 3 292.360 3.002 20 30 CGEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(CC)cc1[O-] ZINC000436836840 372840417 /nfs/dbraw/zinc/84/04/17/372840417.db2.gz FKUGIZRGDQAHFL-UHFFFAOYSA-N -1 3 299.370 3.419 20 30 CGEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436768218 372840498 /nfs/dbraw/zinc/84/04/98/372840498.db2.gz HTNGINOYZYBYPN-LBPRGKRZSA-N -1 3 274.364 3.137 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)co1 ZINC000444453595 373189808 /nfs/dbraw/zinc/18/98/08/373189808.db2.gz JNOBHYKOPKWRDI-LBPRGKRZSA-N -1 3 279.299 3.263 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)co1 ZINC000444453595 373189815 /nfs/dbraw/zinc/18/98/15/373189815.db2.gz JNOBHYKOPKWRDI-LBPRGKRZSA-N -1 3 279.299 3.263 20 30 CGEDHM Cc1scc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000180735778 374040372 /nfs/dbraw/zinc/04/03/72/374040372.db2.gz KJVIMLQRHUSEAA-NSHDSACASA-N -1 3 256.330 3.250 20 30 CGEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCCC12CCCC2 ZINC000329733092 374424198 /nfs/dbraw/zinc/42/41/98/374424198.db2.gz JIYFPOMPFGQRMI-QWRGUYRKSA-N -1 3 293.367 3.089 20 30 CGEDHM N#Cc1cscc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000335080745 375114588 /nfs/dbraw/zinc/11/45/88/375114588.db2.gz JIEHUYBPMHGKSD-UHFFFAOYSA-N -1 3 282.246 3.289 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1[C@@H](C)C1CC1 ZINC000537474477 376171826 /nfs/dbraw/zinc/17/18/26/376171826.db2.gz BPZAYAVXCYUDGI-JSGCOSHPSA-N -1 3 294.358 3.048 20 30 CGEDHM CC(C)(CCC#N)CNCc1cccc([O-])c1Cl ZINC000339401810 376750910 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CCCOc1ccc(/C=N/C[C@H](CC)OC)c([O-])c1 ZINC000290430234 263116628 /nfs/dbraw/zinc/11/66/28/263116628.db2.gz BPORLPPEMTWPQH-RKPNYOAGSA-N -1 3 265.353 3.025 20 30 CGEDHM C=CC[C@@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000187877787 263286003 /nfs/dbraw/zinc/28/60/03/263286003.db2.gz KQJCVEZCMPTKKB-CYBMUJFWSA-N -1 3 268.316 3.086 20 30 CGEDHM CCc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)c([O-])c1 ZINC000331231153 264153427 /nfs/dbraw/zinc/15/34/27/264153427.db2.gz HSNKCZQIUKFLBF-CYBMUJFWSA-N -1 3 260.337 3.197 20 30 CGEDHM CC(C)c1ccc(C(=O)NC[C@@](C)(O)C(C)C)c([O-])c1 ZINC000331241174 264177110 /nfs/dbraw/zinc/17/71/10/264177110.db2.gz QBINDMIKVRRPNU-MRXNPFEDSA-N -1 3 279.380 3.227 20 30 CGEDHM CCc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1[O-] ZINC000555497297 289347115 /nfs/dbraw/zinc/34/71/15/289347115.db2.gz XMGJHBPNZVOWFS-UHFFFAOYSA-N -1 3 280.327 3.103 20 30 CGEDHM C=CCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000531121150 327406003 /nfs/dbraw/zinc/40/60/03/327406003.db2.gz ZSJMWKIANNYTAM-UHFFFAOYSA-N -1 3 284.153 3.450 20 30 CGEDHM C=C(C)CN(C)Cc1cc([O-])ccc1Br ZINC000181046485 329225468 /nfs/dbraw/zinc/22/54/68/329225468.db2.gz JZOFZPMKIPKFNI-UHFFFAOYSA-N -1 3 270.170 3.163 20 30 CGEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c([O-])c1C ZINC000436545157 330679718 /nfs/dbraw/zinc/67/97/18/330679718.db2.gz RDXDNFWIZMMRRB-PIGZYNQJSA-N -1 3 286.375 3.211 20 30 CGEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c([O-])c1C ZINC000436545154 330679744 /nfs/dbraw/zinc/67/97/44/330679744.db2.gz RDXDNFWIZMMRRB-GTNSWQLSSA-N -1 3 286.375 3.211 20 30 CGEDHM CCNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436752117 528427618 /nfs/dbraw/zinc/42/76/18/528427618.db2.gz PUBHRZKMURXYPO-UHFFFAOYSA-N -1 3 295.342 3.256 20 30 CGEDHM CC(N=Nc1cnc2ccccc2n1)c1ccc(F)cc1[O-] ZINC000727779184 571769021 /nfs/dbraw/zinc/76/90/21/571769021.db2.gz PTZWUQCUQJLVQS-UHFFFAOYSA-N -1 3 296.305 3.311 20 30 CGEDHM CC(=NNCc1ccc(F)cc1F)c1ccc([O-])c(F)c1 ZINC000728429745 571804926 /nfs/dbraw/zinc/80/49/26/571804926.db2.gz OGMPGQWMGXBSTI-UHFFFAOYSA-N -1 3 294.276 3.323 20 30 CGEDHM CC(=NNCc1ccc(F)cc1F)c1ccc([O-])cc1F ZINC000729932963 571937051 /nfs/dbraw/zinc/93/70/51/571937051.db2.gz PEUXTWQLMWVVTQ-UHFFFAOYSA-N -1 3 294.276 3.323 20 30 CGEDHM N#Cc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000739117536 572402827 /nfs/dbraw/zinc/40/28/27/572402827.db2.gz GIEHPUNYQLVNOA-KRWDZBQOSA-N -1 3 294.354 3.254 20 30 CGEDHM CCOc1ccc(/C=N/C[C@H](O)c2ccsc2)c([O-])c1 ZINC000739425688 572414142 /nfs/dbraw/zinc/41/41/42/572414142.db2.gz GYIWDCRPSMRVKE-MDNIKOHYSA-N -1 3 291.372 3.005 20 30 CGEDHM CC(C)OC(=O)CC/N=C\c1c([O-])ccc2ccccc21 ZINC000732769198 572482633 /nfs/dbraw/zinc/48/26/33/572482633.db2.gz FLMCXAZKJMLZPS-WQRHYEAKSA-N -1 3 285.343 3.306 20 30 CGEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000741639359 572515481 /nfs/dbraw/zinc/51/54/81/572515481.db2.gz VLVQFMJVIFUOQJ-UHFFFAOYSA-N -1 3 299.301 3.104 20 30 CGEDHM [O-]c1cc(O)ccc1C=NNc1ccc(OC(F)F)cc1 ZINC000726430048 572576718 /nfs/dbraw/zinc/57/67/18/572576718.db2.gz 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621536561 /nfs/dbraw/zinc/53/65/61/621536561.db2.gz ZKDOPPWLYGJBKI-SECBINFHSA-N -1 3 266.291 3.015 20 30 CGEDHM CC[C@@H](NCC1(C#N)CC1)c1cccc(Cl)c1[O-] ZINC000903106439 621580518 /nfs/dbraw/zinc/58/05/18/621580518.db2.gz QKUZRKZNUVIBRL-GFCCVEGCSA-N -1 3 264.756 3.390 20 30 CGEDHM O=C(CCC1CC1)N([O-])Cc1ccccc1Cl ZINC000904188384 621885996 /nfs/dbraw/zinc/88/59/96/621885996.db2.gz CVMMHIFCROXDIK-UHFFFAOYSA-N -1 3 253.729 3.248 20 30 CGEDHM C#CCC(C)(C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904190571 621886755 /nfs/dbraw/zinc/88/67/55/621886755.db2.gz NQTUAIUDUHFGPS-UHFFFAOYSA-N -1 3 265.740 3.107 20 30 CGEDHM CC[C@H](SC)C(=O)N([O-])Cc1ccccc1Cl ZINC000904189851 621886987 /nfs/dbraw/zinc/88/69/87/621886987.db2.gz BURDXGRPWUCUTR-NSHDSACASA-N -1 3 273.785 3.199 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1ccccn1 ZINC000046439848 622970397 /nfs/dbraw/zinc/97/03/97/622970397.db2.gz UBRGQRWIZUFROE-DANTVBBOSA-N -1 3 266.275 3.110 20 30 CGEDHM COCc1cccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000172815981 623282165 /nfs/dbraw/zinc/28/21/65/623282165.db2.gz NBDLCQNGFYWMNY-SOFGYWHQSA-N -1 3 298.338 3.443 20 30 CGEDHM CC(=NOC[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000788033197 623879100 /nfs/dbraw/zinc/87/91/00/623879100.db2.gz HBPNNDBBBUVCLE-CYBMUJFWSA-N -1 3 285.343 3.323 20 30 CGEDHM C=CCCOCC/N=C/c1cc(Br)ccc1[O-] ZINC000154800566 624373318 /nfs/dbraw/zinc/37/33/18/624373318.db2.gz AYAOVJZRQXLTBW-XNTDXEJSSA-N -1 3 298.180 3.166 20 30 CGEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(C)cc2[O-])c1 ZINC000103029175 626202817 /nfs/dbraw/zinc/20/28/17/626202817.db2.gz CTCKMOACISGQSV-UHFFFAOYSA-N -1 3 279.339 3.349 20 30 CGEDHM [O-]c1ccc(C=NNc2cccc(F)c2F)cc1F ZINC000755749865 626642709 /nfs/dbraw/zinc/64/27/09/626642709.db2.gz KDGQOWWYRJKOFZ-UHFFFAOYSA-N -1 3 266.222 3.256 20 30 CGEDHM Cc1ccnc(NN=Cc2c([O-])cccc2Cl)c1 ZINC000755770652 626645433 /nfs/dbraw/zinc/64/54/33/626645433.db2.gz NHUWAWYEANUSDO-UHFFFAOYSA-N -1 3 261.712 3.195 20 30 CGEDHM [O-]c1ccc(Cl)cc1C=Nc1nc2cc[nH]cc-2n1 ZINC000760229934 626946411 /nfs/dbraw/zinc/94/64/11/626946411.db2.gz UAWGNOOWYWKJMI-UHFFFAOYSA-N -1 3 272.695 3.068 20 30 CGEDHM CCC1(C/N=C/c2c([O-])c(C)ncc2CO)CCCCC1 ZINC000762412998 627108559 /nfs/dbraw/zinc/10/85/59/627108559.db2.gz GILSZSSCZAJNHD-VCHYOVAHSA-N -1 3 290.407 3.367 20 30 CGEDHM C#CCN(CC)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000764512420 627210452 /nfs/dbraw/zinc/21/04/52/627210452.db2.gz AODRBNUHERWSDR-UHFFFAOYSA-N -1 3 295.338 3.280 20 30 CGEDHM CC(=NNc1ccc(F)cn1)c1ccc([O-])c(Cl)c1 ZINC000768778289 627498510 /nfs/dbraw/zinc/49/85/10/627498510.db2.gz ZAEBABDTUNWREL-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM CC(N=Nc1nncc2ccccc21)c1sccc1[O-] ZINC000769762765 627576633 /nfs/dbraw/zinc/57/66/33/627576633.db2.gz BKAGAJRLKWEURO-UHFFFAOYSA-N -1 3 284.344 3.233 20 30 CGEDHM Cc1cc(Cl)cc(C=NOCC(F)(F)F)c1[O-] ZINC000774587106 628007013 /nfs/dbraw/zinc/00/70/13/628007013.db2.gz RTPJGLIVEMUKQG-UHFFFAOYSA-N -1 3 267.634 3.267 20 30 CGEDHM COc1cc(C=NOC2CCCC2)cc(Cl)c1[O-] ZINC000774602370 628008100 /nfs/dbraw/zinc/00/81/00/628008100.db2.gz JMYWALRQLGYORD-UHFFFAOYSA-N -1 3 269.728 3.347 20 30 CGEDHM CC(C)[C@H](O)C1(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000775629418 628116048 /nfs/dbraw/zinc/11/60/48/628116048.db2.gz HFQXNNVPAGVLJA-WZCGUGGKSA-N -1 3 281.783 3.262 20 30 CGEDHM Cc1cc(C(=O)/C=C/c2ccc(F)nc2)ccc1[O-] ZINC000777466934 628274366 /nfs/dbraw/zinc/27/43/66/628274366.db2.gz GWBSMAVBEOUGTD-GORDUTHDSA-N -1 3 257.264 3.131 20 30 CGEDHM CC1(C#N)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000780781119 628517175 /nfs/dbraw/zinc/51/71/75/628517175.db2.gz HOUPQPACPXUVCB-UHFFFAOYSA-N -1 3 264.756 3.171 20 30 CGEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCC[C@H](C)[C@H]2C)c1[O-] ZINC000794847930 629587521 /nfs/dbraw/zinc/58/75/21/629587521.db2.gz KJKUTXVJBAXCPH-GEYKHWNHSA-N -1 3 290.407 3.079 20 30 CGEDHM CC(=NN[C@@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000808000709 630614757 /nfs/dbraw/zinc/61/47/57/630614757.db2.gz SMQBYCDMUULBOM-CYBMUJFWSA-N -1 3 286.400 3.365 20 30 CGEDHM N#CCC1(OC(=O)c2cc3ccsc3[n-]2)CCC1 ZINC000810855605 630962299 /nfs/dbraw/zinc/96/22/99/630962299.db2.gz PFXBJPQEEZRCQG-UHFFFAOYSA-N -1 3 260.318 3.223 20 30 CGEDHM COc1cc(C=NOC/C=C/Cl)cc(Cl)c1[O-] ZINC000811671596 631108820 /nfs/dbraw/zinc/10/88/20/631108820.db2.gz UAUDPSSTDKKYDY-CRILZPBOSA-N -1 3 276.119 3.157 20 30 CGEDHM N#Cc1c(F)cccc1/C=C1/Cc2c(cccc2[O-])C1=O ZINC000811687646 631109651 /nfs/dbraw/zinc/10/96/51/631109651.db2.gz IHTWTNLNZMPENA-XFFZJAGNSA-N -1 3 279.270 3.225 20 30 CGEDHM C=CCCCCCCCNC(=O)NCc1ncccc1[O-] ZINC000811927837 631133713 /nfs/dbraw/zinc/13/37/13/631133713.db2.gz QFGQSYJVFVPUDH-UHFFFAOYSA-N -1 3 291.395 3.113 20 30 CGEDHM C=CCO[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000837048407 634848057 /nfs/dbraw/zinc/84/80/57/634848057.db2.gz RFBZMBZCYQUDIH-JTQLQIEISA-N -1 3 287.281 3.433 20 30 CGEDHM Cc1cc([O-])c(CN(CCC#N)CC2CC2)c(Cl)c1 ZINC000840915013 635081517 /nfs/dbraw/zinc/08/15/17/635081517.db2.gz YVSNRRWCFOGSLV-UHFFFAOYSA-N -1 3 278.783 3.480 20 30 CGEDHM C#CCCCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843885249 635791658 /nfs/dbraw/zinc/79/16/58/635791658.db2.gz DTLCSEKGVJLLGI-UHFFFAOYSA-N -1 3 273.332 3.117 20 30 CGEDHM C[C@@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1cccs1 ZINC000128387736 635988456 /nfs/dbraw/zinc/98/84/56/635988456.db2.gz AZTSQWJBAGVMDE-UVYNJXETSA-N -1 3 295.791 3.434 20 30 CGEDHM N#CC1(CNCc2cccc(Cl)c2[O-])CCCC1 ZINC000846009963 636129001 /nfs/dbraw/zinc/12/90/01/636129001.db2.gz GGVJVIUUYNJJFG-UHFFFAOYSA-N -1 3 264.756 3.219 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCCCc1cccs1 ZINC000846545116 636196995 /nfs/dbraw/zinc/19/69/95/636196995.db2.gz MDHPNMIKNJPGAR-LBPRGKRZSA-N -1 3 267.394 3.473 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ccc(SC)cc1 ZINC000846553499 636201144 /nfs/dbraw/zinc/20/11/44/636201144.db2.gz BTDKQODTGLEFCU-LBPRGKRZSA-N -1 3 279.405 3.354 20 30 CGEDHM CCO[C@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000849170077 636762505 /nfs/dbraw/zinc/76/25/05/636762505.db2.gz KSMFZZJFXHAWGI-JSOQGODVSA-N -1 3 253.729 3.032 20 30 CGEDHM CSCCCC(=O)N([O-])CCCCc1ccccc1 ZINC001161819265 806463053 /nfs/dbraw/zinc/46/30/53/806463053.db2.gz QNRKJJKGNVNOMK-UHFFFAOYSA-N -1 3 281.421 3.370 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1ccc(OC)cc1 ZINC001161819881 806464730 /nfs/dbraw/zinc/46/47/30/806464730.db2.gz XRUJMSPYZITJAS-UHFFFAOYSA-N -1 3 265.353 3.036 20 30 CGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(C)C ZINC001116902899 802427822 /nfs/dbraw/zinc/42/78/22/802427822.db2.gz MRSCVSVAMJEVLR-LBPRGKRZSA-N -1 3 285.721 3.206 20 30 CGEDHM COc1cc([O-])ccc1-c1nc2ccccc2cc1C#N ZINC001243984939 803121570 /nfs/dbraw/zinc/12/15/70/803121570.db2.gz XTTFNOCLQUZFOH-UHFFFAOYSA-N -1 3 276.295 3.488 20 30 CGEDHM O=c1[nH]ccc2ccc(-c3cccc(C=N[O-])c3)cc21 ZINC001244312886 803294812 /nfs/dbraw/zinc/29/48/12/803294812.db2.gz IQQVAXFKLARERO-VCHYOVAHSA-N -1 3 264.284 3.416 20 30 CGEDHM Cc1cc(-c2ccc(C3(C#N)CC3)cn2)cc([O-])c1F ZINC001244505382 803409805 /nfs/dbraw/zinc/40/98/05/803409805.db2.gz FJLUIKIYYBCODO-UHFFFAOYSA-N -1 3 268.291 3.457 20 30 CGEDHM CCc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccc1C#N ZINC001244954890 803590451 /nfs/dbraw/zinc/59/04/51/803590451.db2.gz WFBSOZMBHJKINT-UHFFFAOYSA-N -1 3 293.305 3.107 20 30 CGEDHM CCc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccc1C#N ZINC001244954890 803590454 /nfs/dbraw/zinc/59/04/54/803590454.db2.gz WFBSOZMBHJKINT-UHFFFAOYSA-N -1 3 293.305 3.107 20 30 CGEDHM N#Cc1c[nH]c2nccc(-c3cc(Cl)ccc3[O-])c12 ZINC001245052303 803624075 /nfs/dbraw/zinc/62/40/75/803624075.db2.gz NROZBZZAWVRYBK-UHFFFAOYSA-N -1 3 269.691 3.412 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cnn(CC(F)(F)F)c3)ccc21 ZINC001245391581 803723229 /nfs/dbraw/zinc/72/32/29/803723229.db2.gz FPYDZINRWVGGPA-UYRXBGFRSA-N -1 3 295.264 3.237 20 30 CGEDHM CCN(CCC#N)Cc1c(Cl)cc([O-])cc1Cl ZINC001142114983 804696499 /nfs/dbraw/zinc/69/64/99/804696499.db2.gz SBWBJSZLKNECPR-UHFFFAOYSA-N -1 3 273.163 3.435 20 30 CGEDHM N#Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1[O-] ZINC001144766705 805054447 /nfs/dbraw/zinc/05/44/47/805054447.db2.gz PCTGAFWBHBVGFE-UHFFFAOYSA-N -1 3 296.370 3.419 20 30 CGEDHM Cc1nc(C)c(C(=O)[N-]c2c(C#N)ccc(F)c2F)s1 ZINC001147240801 805117827 /nfs/dbraw/zinc/11/78/27/805117827.db2.gz NSNCQWQFKYNOLK-UHFFFAOYSA-N -1 3 293.298 3.162 20 30 CGEDHM Cc1cc(C#N)c([N-]C(=O)c2cc(C(C)C)on2)s1 ZINC001147473227 805132235 /nfs/dbraw/zinc/13/22/35/805132235.db2.gz NNIVZLCTPHXVJE-UHFFFAOYSA-N -1 3 275.333 3.292 20 30 CGEDHM Cc1c(F)c(F)ccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001148600652 805198266 /nfs/dbraw/zinc/19/82/66/805198266.db2.gz FVEQGNPTOISIQP-UHFFFAOYSA-N -1 3 288.253 3.103 20 30 CGEDHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)cc(C)c1C#N ZINC001152105886 805334399 /nfs/dbraw/zinc/33/43/99/805334399.db2.gz BJLRBEGUMXGYPR-UHFFFAOYSA-N -1 3 284.290 3.272 20 30 CGEDHM N#Cc1cc(Cc2cccc(OC(F)F)c2)ccc1[O-] ZINC001250269150 805535111 /nfs/dbraw/zinc/53/51/11/805535111.db2.gz KWXKOPSARFVIOO-UHFFFAOYSA-N -1 3 275.254 3.456 20 30 CGEDHM Cc1cc(C(=O)N(C)C)ccc1Nc1cc(C#N)ccc1[O-] ZINC001212731628 815117392 /nfs/dbraw/zinc/11/73/92/815117392.db2.gz TWHBYYADGSKRKB-UHFFFAOYSA-N -1 3 295.342 3.018 20 30 CGEDHM N#C[C@H]1CC=C(Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC001212868459 815166485 /nfs/dbraw/zinc/16/64/85/815166485.db2.gz RUVKHVVISGNFPJ-LBPRGKRZSA-N -1 3 280.331 3.197 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC001213089966 815230925 /nfs/dbraw/zinc/23/09/25/815230925.db2.gz NHWDZSRBJYKPOS-UHFFFAOYSA-N -1 3 276.299 3.398 20 30 CGEDHM N#Cc1ncc(Nc2c(F)cc([O-])cc2F)cc1Cl ZINC001175098236 809269576 /nfs/dbraw/zinc/26/95/76/809269576.db2.gz JJKSRLAIAKGBDN-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM N#Cc1ccc(F)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268434 809332730 /nfs/dbraw/zinc/33/27/30/809332730.db2.gz NQPMPXOUVZXRPT-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1[O-] ZINC001181362211 810048857 /nfs/dbraw/zinc/04/88/57/810048857.db2.gz CKTKMPMQCSZVAR-UHFFFAOYSA-N -1 3 283.331 3.067 20 30 CGEDHM N#CC1(CC(=O)Nc2ccc(F)c([O-])c2)CCCCC1 ZINC001181363663 810049030 /nfs/dbraw/zinc/04/90/30/810049030.db2.gz ZJOIXEVHYRIAAG-UHFFFAOYSA-N -1 3 276.311 3.334 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cnccc2C2CC2)c1 ZINC001213876398 815343318 /nfs/dbraw/zinc/34/33/18/815343318.db2.gz AEJHYXHWIPOWAU-UHFFFAOYSA-N -1 3 251.289 3.280 20 30 CGEDHM Cc1noc([N-]C(=O)Nc2cc(C)ccc2Cl)c1C#N ZINC001191664949 810729584 /nfs/dbraw/zinc/72/95/84/810729584.db2.gz DMEWZECXDXQYKQ-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM C=CCOC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC001194319331 811051322 /nfs/dbraw/zinc/05/13/22/811051322.db2.gz VXDRLICGMZFFEG-UHFFFAOYSA-N -1 3 261.199 3.146 20 30 CGEDHM Cc1cccc([O-])c1NC(=S)Nc1cccc(C#N)c1 ZINC001197714741 811448347 /nfs/dbraw/zinc/44/83/47/811448347.db2.gz KLPQUAGCXQJQIS-UHFFFAOYSA-N -1 3 283.356 3.381 20 30 CGEDHM N#Cc1cc(NC(=S)NCC2CCCCC2)ccc1[O-] ZINC001199927254 811614390 /nfs/dbraw/zinc/61/43/90/811614390.db2.gz RDXFDOQDVXVXFN-UHFFFAOYSA-N -1 3 289.404 3.131 20 30 CGEDHM Cc1cc(C#N)c(Nc2cncc([O-])c2)cc1Cl ZINC001201646735 811929777 /nfs/dbraw/zinc/92/97/77/811929777.db2.gz NFMHVGUHJUQYTD-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc(C)c(Cl)c2)o1 ZINC001202800207 812175961 /nfs/dbraw/zinc/17/59/61/812175961.db2.gz IOEKVIWGVLSCIL-UHFFFAOYSA-N -1 3 290.710 3.461 20 30 CGEDHM C[C@@H](O)CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205777739 813075918 /nfs/dbraw/zinc/07/59/18/813075918.db2.gz MZLOKNVKBDGQKY-MGNBVQINSA-N -1 3 285.343 3.004 20 30 CGEDHM N#Cc1nc(Cl)ccc1Nc1cccc(F)c1[O-] ZINC001210195105 814331211 /nfs/dbraw/zinc/33/12/11/814331211.db2.gz DABADSBEROLFTP-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM Cn1ccnc1-c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001210433346 814454908 /nfs/dbraw/zinc/45/49/08/814454908.db2.gz OLGHIAIVMGSCKF-UHFFFAOYSA-N -1 3 290.326 3.408 20 30 CGEDHM CC(C)(C)n1cc(C#N)cc1Nc1ccc([O-])c(C#N)c1 ZINC001210527964 814509725 /nfs/dbraw/zinc/50/97/25/814509725.db2.gz VEXYDCGHAWPCPM-UHFFFAOYSA-N -1 3 280.331 3.436 20 30 CGEDHM COc1ccnc(-c2cc([O-])cc(C(F)(F)F)c2)c1C#N ZINC001242779992 823131207 /nfs/dbraw/zinc/13/12/07/823131207.db2.gz HEKMJTCTVXQOHO-UHFFFAOYSA-N -1 3 294.232 3.353 20 30 CGEDHM N#Cc1ncc(F)cc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242781981 823131460 /nfs/dbraw/zinc/13/14/60/823131460.db2.gz IBIWOXFZJKKYLH-UHFFFAOYSA-N -1 3 282.196 3.484 20 30 CGEDHM CCc1[nH]nc2ncc(-c3ccc(/C=N/[O-])c(F)c3)cc12 ZINC001242824545 823145073 /nfs/dbraw/zinc/14/50/73/823145073.db2.gz JHKBOVDRQBWMSD-QGMBQPNBSA-N -1 3 284.294 3.135 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1ccccc1-c1nnn[n-]1 ZINC001222648919 816489948 /nfs/dbraw/zinc/48/99/48/816489948.db2.gz QYAFHJOLMCNVGM-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1ccccc1-c1nn[n-]n1 ZINC001222648919 816489956 /nfs/dbraw/zinc/48/99/56/816489956.db2.gz QYAFHJOLMCNVGM-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM COc1cc(SC)c(-c2cccc(/C=N/[O-])c2)cn1 ZINC001243049945 823227015 /nfs/dbraw/zinc/22/70/15/823227015.db2.gz AQTJAHPMFFTOPN-LZYBPNLTSA-N -1 3 274.345 3.287 20 30 CGEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cccc(N(C)C)c2)[n-]1 ZINC001225470157 817063967 /nfs/dbraw/zinc/06/39/67/817063967.db2.gz SMLZZQDAIPBXBN-GFCCVEGCSA-N -1 3 297.358 3.173 20 30 CGEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665690 817132775 /nfs/dbraw/zinc/13/27/75/817132775.db2.gz DKCMRRBKNAJJKN-AAEUAGOBSA-N -1 3 290.319 3.375 20 30 CGEDHM C=CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225668074 817134749 /nfs/dbraw/zinc/13/47/49/817134749.db2.gz YKHQWAHUCZZNOB-CYBMUJFWSA-N -1 3 286.287 3.392 20 30 CGEDHM C=C[C@H](C#CC(C)(C)C)Oc1cccc(/C=N/[O-])c1 ZINC001226115638 817276489 /nfs/dbraw/zinc/27/64/89/817276489.db2.gz GQEPLAPNRIQFCC-RFRKOGIWSA-N -1 3 257.333 3.478 20 30 CGEDHM COc1ccc2c(c1)CC[C@@H](Oc1cccc(/C=N/[O-])c1)C2 ZINC001226115702 817277341 /nfs/dbraw/zinc/27/73/41/817277341.db2.gz HUESBQRKRSNQGO-LSCADSNKSA-N -1 3 297.354 3.440 20 30 CGEDHM C#C[C@H](CCCCC)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226332575 817330913 /nfs/dbraw/zinc/33/09/13/817330913.db2.gz CJXUUJUNVWOWEM-LLVKDONJSA-N -1 3 263.293 3.261 20 30 CGEDHM C=C[C@H](CCC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599379 817409696 /nfs/dbraw/zinc/40/96/96/817409696.db2.gz MGLNKPVLSUYUTN-LLVKDONJSA-N -1 3 260.289 3.232 20 30 CGEDHM CO[C@@H](COc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227344821 817628439 /nfs/dbraw/zinc/62/84/39/817628439.db2.gz DSOLORRWKPZXIC-INIZCTEOSA-N -1 3 269.300 3.030 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@@H]2CCc3ccccc32)c1 ZINC001227345107 817628788 /nfs/dbraw/zinc/62/87/88/817628788.db2.gz JTPVSSHLWQPJAQ-OAHLLOKOSA-N -1 3 251.285 3.330 20 30 CGEDHM CC(C)Oc1cncc(COc2cc(C#N)ccc2[O-])c1 ZINC001227349704 817629479 /nfs/dbraw/zinc/62/94/79/817629479.db2.gz IVCCQLSQBBREOR-UHFFFAOYSA-N -1 3 284.315 3.025 20 30 CGEDHM COc1ccc2c(c1)CC[C@@H](Oc1cc(C#N)ccc1[O-])C2 ZINC001227348661 817629536 /nfs/dbraw/zinc/62/95/36/817629536.db2.gz BABRKKKGUSUNIT-MRXNPFEDSA-N -1 3 295.338 3.209 20 30 CGEDHM COc1ccc([C@H](C)Oc2cc(C#N)ccc2[O-])cc1 ZINC001227351156 817631165 /nfs/dbraw/zinc/63/11/65/817631165.db2.gz SHUSWVWPLUZWBM-NSHDSACASA-N -1 3 269.300 3.412 20 30 CGEDHM CC#C[C@H](CC)Oc1c([O-])cc(Br)cc1F ZINC001227590058 817677773 /nfs/dbraw/zinc/67/77/73/817677773.db2.gz BTUNEIRYXQQSFN-VIFPVBQESA-N -1 3 287.128 3.475 20 30 CGEDHM C=CC[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001227743095 817708732 /nfs/dbraw/zinc/70/87/32/817708732.db2.gz IXJKOQBJQNSJKN-ZDUSSCGKSA-N -1 3 275.308 3.451 20 30 CGEDHM C=CC[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(C)C ZINC001227743095 817708738 /nfs/dbraw/zinc/70/87/38/817708738.db2.gz IXJKOQBJQNSJKN-ZDUSSCGKSA-N -1 3 275.308 3.451 20 30 CGEDHM C#CC[C@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228155500 817827027 /nfs/dbraw/zinc/82/70/27/817827027.db2.gz TZSFMQPGJOXTCO-ZDUSSCGKSA-N -1 3 280.323 3.414 20 30 CGEDHM C#CC[C@@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228347600 817883616 /nfs/dbraw/zinc/88/36/16/817883616.db2.gz SXFASOAPZSTHFG-LLVKDONJSA-N -1 3 270.357 3.223 20 30 CGEDHM C#CC[C@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228347601 817884286 /nfs/dbraw/zinc/88/42/86/817884286.db2.gz SXFASOAPZSTHFG-NSHDSACASA-N -1 3 270.357 3.223 20 30 CGEDHM N#C[C@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523570 818120559 /nfs/dbraw/zinc/12/05/59/818120559.db2.gz ZYQCRCJNIHBBRO-LLVKDONJSA-N -1 3 284.281 3.147 20 30 CGEDHM N#CCN(Cc1ccccc1)Cc1cccc([O-])c1F ZINC001233057215 818515716 /nfs/dbraw/zinc/51/57/16/818515716.db2.gz IYYOYFAMFOCBKW-UHFFFAOYSA-N -1 3 270.307 3.057 20 30 CGEDHM N#Cc1ccc(CN2CCc3cccc(Cl)c3C2)c([O-])c1 ZINC001233387777 818607782 /nfs/dbraw/zinc/60/77/82/818607782.db2.gz XXCIAXBBQUOGHW-UHFFFAOYSA-N -1 3 298.773 3.476 20 30 CGEDHM N#CC=C([O-])c1ccccc1OC[C@H]1Cc2ccccc2O1 ZINC001233522766 818632188 /nfs/dbraw/zinc/63/21/88/818632188.db2.gz ODMQWWXKMOELMO-CQSZACIVSA-N -1 3 293.322 3.165 20 30 CGEDHM C=CC[C@@H](Oc1ccc(/C=N/[O-])cc1OC)C(C)C ZINC001233807872 818710037 /nfs/dbraw/zinc/71/00/37/818710037.db2.gz ZMDIUMNUZHGHHI-BVTUPMQUSA-N -1 3 263.337 3.483 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)CC(C)(C)S ZINC001233807216 818710181 /nfs/dbraw/zinc/71/01/81/818710181.db2.gz PELJOXJJGQTHPJ-CNOAHFENSA-N -1 3 283.393 3.369 20 30 CGEDHM N#Cc1cc([O-])cc(O[C@@H]2CCCc3cccnc32)c1 ZINC001234139036 818787651 /nfs/dbraw/zinc/78/76/51/818787651.db2.gz FGDWPAYITPKQJM-OAHLLOKOSA-N -1 3 266.300 3.115 20 30 CGEDHM C#C[C@H]1CCC[C@@H]1Oc1c(Cl)ccc([O-])c1F ZINC001234263290 818819952 /nfs/dbraw/zinc/81/99/52/818819952.db2.gz WLXWNFXKUNJFNG-KWQFWETISA-N -1 3 254.688 3.365 20 30 CGEDHM C#C[C@H]1CCC[C@@H]1Oc1c([O-])cc(Cl)cc1F ZINC001234446971 818857233 /nfs/dbraw/zinc/85/72/33/818857233.db2.gz HUTJNCDUUGXMLU-UFBFGSQYSA-N -1 3 254.688 3.365 20 30 CGEDHM C=C[C@@H](CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693322 818918115 /nfs/dbraw/zinc/91/81/15/818918115.db2.gz WEVVXWRYGVGEJT-LBPRGKRZSA-N -1 3 256.305 3.193 20 30 CGEDHM C#C[C@H](CC(C)C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234793239 818923720 /nfs/dbraw/zinc/92/37/20/818923720.db2.gz NQFQAIAUYPEOGQ-CYBMUJFWSA-N -1 3 290.359 3.339 20 30 CGEDHM C#C[C@@H](CC(C)C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234793241 818923806 /nfs/dbraw/zinc/92/38/06/818923806.db2.gz NQFQAIAUYPEOGQ-ZDUSSCGKSA-N -1 3 290.359 3.339 20 30 CGEDHM C=CCn1ccc2c1ncnc2-c1cccc([O-])c1F ZINC001243543133 823436399 /nfs/dbraw/zinc/43/63/99/823436399.db2.gz QTCUFPDTULIJPY-UHFFFAOYSA-N -1 3 269.279 3.129 20 30 CGEDHM N#Cc1cc(-c2ccc(C(F)(F)F)cc2[O-])ccn1 ZINC001243607651 823465551 /nfs/dbraw/zinc/46/55/51/823465551.db2.gz XSYJONVPWJOBBS-UHFFFAOYSA-N -1 3 264.206 3.345 20 30 CGEDHM COC(=O)c1cc(-c2ccc(/C=N/[O-])c(F)c2)ccc1C ZINC001243606879 823465316 /nfs/dbraw/zinc/46/53/16/823465316.db2.gz GCQALACUJNXNKY-GIJQJNRQSA-N -1 3 287.290 3.396 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cc(F)cc(CO)c2)cc1 ZINC001243696358 823490339 /nfs/dbraw/zinc/49/03/39/823490339.db2.gz OMNIIPBCXXDWLV-LICLKQGHSA-N -1 3 259.280 3.183 20 30 CGEDHM COc1ccc(OC)c(-c2cccc(/C=N/[O-])c2)c1OC ZINC001239878237 820678521 /nfs/dbraw/zinc/67/85/21/820678521.db2.gz AAMYIKSZVCQOEY-LICLKQGHSA-N -1 3 287.315 3.188 20 30 CGEDHM Nc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(F)c1 ZINC001240528799 821124792 /nfs/dbraw/zinc/12/47/92/821124792.db2.gz KXCFOJPJGWFXQT-SDXDJHTJSA-N -1 3 256.280 3.199 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cnn([C@@H]4CCCCO4)c3)ccc21 ZINC001240680888 821239270 /nfs/dbraw/zinc/23/92/70/821239270.db2.gz URYMKJQUSDLLPL-DOMQTXCISA-N -1 3 297.358 3.374 20 30 CGEDHM N#CCc1ccc(-c2ccc([O-])c(F)c2)cc1C#N ZINC001240787027 821328810 /nfs/dbraw/zinc/32/88/10/821328810.db2.gz HOJLVZYFJJMJKH-UHFFFAOYSA-N -1 3 252.248 3.136 20 30 CGEDHM N#Cc1cnc2cc[nH]c(-c3c(F)cc([O-])cc3F)c1-2 ZINC001241120356 821576157 /nfs/dbraw/zinc/57/61/57/821576157.db2.gz QHAKMQABYOIZOX-UHFFFAOYSA-N -1 3 271.226 3.085 20 30 CGEDHM CN1CCC=C(c2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001241570436 821956183 /nfs/dbraw/zinc/95/61/83/821956183.db2.gz IWROSHCKIVRAFZ-QGMBQPNBSA-N -1 3 284.281 3.232 20 30 CGEDHM CCCn1nc(C)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001241765327 822135562 /nfs/dbraw/zinc/13/55/62/822135562.db2.gz QUKBSNIJLOIHLM-SDXDJHTJSA-N -1 3 269.348 3.393 20 30 CGEDHM [O-]/N=C/c1cccc(-c2cnn(Cc3cccs3)c2)c1 ZINC001242094753 822349273 /nfs/dbraw/zinc/34/92/73/822349273.db2.gz USDYLMIZSAWGCT-CAOOACKPSA-N -1 3 283.356 3.468 20 30 CGEDHM COc1cc(-n2ccnc2)ccc1-c1ccc([O-])c(C#N)c1 ZINC001242566329 823036541 /nfs/dbraw/zinc/03/65/41/823036541.db2.gz UERFEUNYPAJCQF-UHFFFAOYSA-N -1 3 291.310 3.125 20 30 CGEDHM Cn1ccnc1C(C#N)=C([O-])c1cc2c(s1)CCCCC2 ZINC001342274812 936464257 /nfs/dbraw/zinc/46/42/57/936464257.db2.gz AOFASAIULUMKAU-LBPRGKRZSA-N -1 3 299.399 3.241 20 30 CGEDHM C#CCOc1cccc(NC(=O)c2cccc(CC)c2[O-])c1 ZINC001136768584 928182306 /nfs/dbraw/zinc/18/23/06/928182306.db2.gz IOXNUNDAQRDBLX-UHFFFAOYSA-N -1 3 295.338 3.219 20 30 CGEDHM N#Cc1ccsc1C(=O)N([O-])Cc1ccccc1Cl ZINC001458004438 937448341 /nfs/dbraw/zinc/44/83/41/937448341.db2.gz UYGCREMUMIUXQG-UHFFFAOYSA-N -1 3 292.747 3.305 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001458021559 937449321 /nfs/dbraw/zinc/44/93/21/937449321.db2.gz GYANWQIYLZYJGY-JQWIXIFHSA-N -1 3 269.291 3.086 20 30 CGEDHM CCCCN([O-])C(=O)C1(c2ccc(C)cc2)CCC1 ZINC001161832534 931986269 /nfs/dbraw/zinc/98/62/69/931986269.db2.gz PNFVOMOZNTWWOP-UHFFFAOYSA-N -1 3 261.365 3.435 20 30 CGEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H](C)CS ZINC001228960137 932059587 /nfs/dbraw/zinc/05/95/87/932059587.db2.gz VWLILJUYUSBTGY-SECBINFHSA-N -1 3 268.378 3.415 20 30 CGEDHM C=CC[C@@H](Oc1nc(C)[n-]c(=O)c1C)c1ccccc1 ZINC001229684970 932188314 /nfs/dbraw/zinc/18/83/14/932188314.db2.gz HNWYNIUUNDCUIZ-CQSZACIVSA-N -1 3 270.332 3.495 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001306897721 932763249 /nfs/dbraw/zinc/76/32/49/932763249.db2.gz ZHHDCYLGMCDQKO-AWEZNQCLSA-N -1 3 277.364 3.178 20 30 CGEDHM O=C(COC1CCCC1)N([O-])CCCCc1ccccc1 ZINC001306896168 932891534 /nfs/dbraw/zinc/89/15/34/932891534.db2.gz MSYONYIFKGPHFK-UHFFFAOYSA-N -1 3 291.391 3.186 20 30 CGEDHM O=C(c1ccnc(F)c1)N([O-])Cc1cccc2ccccc21 ZINC001306899880 932893262 /nfs/dbraw/zinc/89/32/62/932893262.db2.gz FUEUPGNEPPAQJA-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM CCCCCCN([O-])C(=O)c1ccn(C2CCCC2)n1 ZINC001306896565 932893403 /nfs/dbraw/zinc/89/34/03/932893403.db2.gz CDVBTNRKWSKBDF-UHFFFAOYSA-N -1 3 279.384 3.410 20 30 CGEDHM N#Cc1ccc(F)cc1NCc1ccc([O-])c(F)c1 ZINC001306976736 932903470 /nfs/dbraw/zinc/90/34/70/932903470.db2.gz RWDRMBZGFHWAKF-UHFFFAOYSA-N -1 3 260.243 3.154 20 30 CGEDHM CCN(C[C@H](C)C#N)C(=O)c1cc2sccc2c([O-])c1 ZINC001464239848 937687975 /nfs/dbraw/zinc/68/79/75/937687975.db2.gz LPFPXVYKDFKLFJ-SNVBAGLBSA-N -1 3 288.372 3.229 20 30 CGEDHM C=C(Cl)CSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001573297158 962239289 /nfs/dbraw/zinc/23/92/89/962239289.db2.gz FDYJWUPJMADLOD-UHFFFAOYSA-N -1 3 266.757 3.020 20 30 CGEDHM C=C(Cl)CSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001573297158 962239308 /nfs/dbraw/zinc/23/93/08/962239308.db2.gz FDYJWUPJMADLOD-UHFFFAOYSA-N -1 3 266.757 3.020 20 30 CGEDHM C=C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588527118 963275974 /nfs/dbraw/zinc/27/59/74/963275974.db2.gz BXDZBIHHHPJZPG-JTQLQIEISA-N -1 3 289.770 3.065 20 30 CGEDHM C=C[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588527118 963275984 /nfs/dbraw/zinc/27/59/84/963275984.db2.gz BXDZBIHHHPJZPG-JTQLQIEISA-N -1 3 289.770 3.065 20 30 CGEDHM C=CCCC[C@H](C)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001588594982 963284326 /nfs/dbraw/zinc/28/43/26/963284326.db2.gz XFXJTUWTFIPKDQ-JTQLQIEISA-N -1 3 275.331 3.163 20 30 CGEDHM C=CCCC[C@H](C)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001588594982 963284334 /nfs/dbraw/zinc/28/43/34/963284334.db2.gz XFXJTUWTFIPKDQ-JTQLQIEISA-N -1 3 275.331 3.163 20 30 CGEDHM CC(=NOC1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001588782334 963318134 /nfs/dbraw/zinc/31/81/34/963318134.db2.gz SOGYMICPHHWRSO-UHFFFAOYSA-N -1 3 291.380 3.002 20 30 CGEDHM C[C@@H](NCCCCC(C)(C)C#N)c1ncc(C(=O)[O-])s1 ZINC001593265589 994573760 /nfs/dbraw/zinc/57/37/60/994573760.db2.gz ULTHFNHASVJIRF-SNVBAGLBSA-N -1 3 295.408 3.212 20 30 CGEDHM N#CC1(CC(=O)Nc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC000590317778 346842046 /nfs/dbraw/zinc/84/20/46/346842046.db2.gz GJPAIAHPFFJOAH-UHFFFAOYSA-N -1 3 284.237 3.043 20 30 CGEDHM C=C(C)CN(CC)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000273160787 192061322 /nfs/dbraw/zinc/06/13/22/192061322.db2.gz CCKQKDRCFXNZAF-UHFFFAOYSA-N -1 3 284.359 3.287 20 30 CGEDHM N#CCN(C(=O)c1cc([O-])c2ccccc2c1)C1CCCC1 ZINC000280359397 346417591 /nfs/dbraw/zinc/41/75/91/346417591.db2.gz LBXZODLQFQVTPC-UHFFFAOYSA-N -1 3 294.354 3.454 20 30 CGEDHM CCc1cc(=O)[n-]c(CSCCc2ccc(C#N)cc2)n1 ZINC000596344403 347425975 /nfs/dbraw/zinc/42/59/75/347425975.db2.gz FOGSFADYJFOZHW-UHFFFAOYSA-N -1 3 299.399 3.092 20 30 CGEDHM N#CC[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000597176944 347545414 /nfs/dbraw/zinc/54/54/14/347545414.db2.gz JUMKNLLPXJZNTC-LLVKDONJSA-N -1 3 264.756 3.171 20 30 CGEDHM CC(=NNCC(F)F)c1ccc2ccccc2c1[O-] ZINC000740618014 571841254 /nfs/dbraw/zinc/84/12/54/571841254.db2.gz JAOVDTZJMRJMGG-UHFFFAOYSA-N -1 3 264.275 3.124 20 30 CGEDHM Cc1cc(Cl)cc(NC(=O)C2(C#N)CC3(CC3)C2)c1[O-] ZINC000601378792 347893454 /nfs/dbraw/zinc/89/34/54/347893454.db2.gz OGHSETSMRPDODO-UHFFFAOYSA-N -1 3 290.750 3.377 20 30 CGEDHM C=CC[C@@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000628062635 350396154 /nfs/dbraw/zinc/39/61/54/350396154.db2.gz MCADDSKTIQGNOP-CYBMUJFWSA-N -1 3 259.349 3.129 20 30 CGEDHM CCc1nc(C(=O)[N-]c2scc(C)c2C#N)c(C)o1 ZINC000335677702 212398046 /nfs/dbraw/zinc/39/80/46/212398046.db2.gz VIVUFLNOLFYFQZ-UHFFFAOYSA-N -1 3 275.333 3.039 20 30 CGEDHM Cc1csc([N-]C(=O)c2ccc(Cl)o2)c1C#N ZINC000335657523 212376167 /nfs/dbraw/zinc/37/61/67/212376167.db2.gz WQEPBVBGWIGCMQ-UHFFFAOYSA-N -1 3 266.709 3.427 20 30 CGEDHM COc1cc(Cl)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000049417074 369401325 /nfs/dbraw/zinc/40/13/25/369401325.db2.gz YVSLOGNQLLBPSH-GFCCVEGCSA-N -1 3 286.718 3.234 20 30 CGEDHM [O-]c1ccc2ccccc2c1/C=N/CCCO[C@@H]1CCOC1 ZINC000129354091 370983116 /nfs/dbraw/zinc/98/31/16/370983116.db2.gz OJTHAPFQLXDOKG-IYSPOMMRSA-N -1 3 299.370 3.160 20 30 CGEDHM C=CCN(C(=O)c1c[n-]c2ccc(C)cc2c1=O)C1CC1 ZINC000288558879 371742277 /nfs/dbraw/zinc/74/22/77/371742277.db2.gz WCBBFEWIVIQAQY-UHFFFAOYSA-N -1 3 282.343 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295.342 3.120 20 30 CGEDHM CCc1cccc(C(=O)N(CCC#N)CCC(C)C)c1[O-] ZINC000535789005 376062237 /nfs/dbraw/zinc/06/22/37/376062237.db2.gz BMEJBUNOSWQNSK-UHFFFAOYSA-N -1 3 288.391 3.357 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000539844128 376341544 /nfs/dbraw/zinc/34/15/44/376341544.db2.gz BHPXHUCQRBKZDU-SJKOYZFVSA-N -1 3 286.375 3.157 20 30 CGEDHM C=CCCCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000573452472 377556478 /nfs/dbraw/zinc/55/64/78/377556478.db2.gz QKEKXUFUCNEHJC-UHFFFAOYSA-N -1 3 251.326 3.074 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)ccn1 ZINC000342389091 377645073 /nfs/dbraw/zinc/64/50/73/377645073.db2.gz ODPWTHRQWMYYKJ-INIZCTEOSA-N -1 3 287.322 3.428 20 30 CGEDHM C=C(C)C(C)(C)C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000644854790 380531984 /nfs/dbraw/zinc/53/19/84/380531984.db2.gz WTPRCESRJKZULG-UHFFFAOYSA-N -1 3 299.374 3.048 20 30 CGEDHM Cc1c[nH]cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361542340 381793095 /nfs/dbraw/zinc/79/30/95/381793095.db2.gz 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Cc1cc(C)cc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000730434288 572353242 /nfs/dbraw/zinc/35/32/42/572353242.db2.gz IQPZBKXDYUCZMO-PCQWDSEFSA-N -1 3 298.386 3.385 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\CCOC1CCC1 ZINC000743043988 572392905 /nfs/dbraw/zinc/39/29/05/572392905.db2.gz CCCAHJNDNNXVCQ-DHDCSXOGSA-N -1 3 253.729 3.034 20 30 CGEDHM CCOc1ccc(/C=N/C[C@H](O)C(CC)CC)c([O-])c1 ZINC000731938002 572439284 /nfs/dbraw/zinc/43/92/84/572439284.db2.gz QJBKZZKMFCWVDL-KFXAOSDLSA-N -1 3 279.380 3.007 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2C[C@@H]2C2CCCCC2)c1O ZINC000741465777 572500527 /nfs/dbraw/zinc/50/05/27/572500527.db2.gz YHBRABZRKVNPRB-SSTXIFODSA-N -1 3 275.348 3.191 20 30 CGEDHM C[C@@H]1CC[C@H](/N=C/c2ccc(O)c([O-])c2O)[C@H](C)C1 ZINC000733080847 572506815 /nfs/dbraw/zinc/50/68/15/572506815.db2.gz DAIYJDLRBPPLCZ-YETQCJSISA-N -1 3 263.337 3.047 20 30 CGEDHM COc1cccc([O-])c1/C=N/C[C@H]1OCCc2ccccc21 ZINC000733081157 572506979 /nfs/dbraw/zinc/50/69/79/572506979.db2.gz PRBDIZMWZXOEGM-HDAJJNEKSA-N 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/nfs/dbraw/zinc/08/95/79/618089579.db2.gz LRVYUEDUKLKLOU-UHFFFAOYSA-N -1 3 267.394 3.475 20 30 CGEDHM C=C(C)c1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000900280294 620776688 /nfs/dbraw/zinc/77/66/88/620776688.db2.gz ZKDOUGCYJSNGSH-NSHDSACASA-N -1 3 298.264 3.097 20 30 CGEDHM CC(=O)c1cc(F)cc(CN(CCC#N)CC(C)C)c1[O-] ZINC000050142649 618650834 /nfs/dbraw/zinc/65/08/34/618650834.db2.gz LLRVIHUESKFWRE-UHFFFAOYSA-N -1 3 292.354 3.106 20 30 CGEDHM CC(N=Nc1cccc(Cl)n1)c1ccc(F)cc1[O-] ZINC000793163238 619700996 /nfs/dbraw/zinc/70/09/96/619700996.db2.gz HOIBEUKWOFBAFX-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM CC(=NNc1cccc(Cl)n1)c1ccc(F)cc1[O-] ZINC000793163238 619701001 /nfs/dbraw/zinc/70/10/01/619701001.db2.gz HOIBEUKWOFBAFX-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CC12CCOCC2 ZINC000840710535 620119423 /nfs/dbraw/zinc/11/94/23/620119423.db2.gz SXFWWYLKZCOOLN-WFSQQTBHSA-N -1 3 265.740 3.034 20 30 CGEDHM CCC1(C/N=C/c2cc(Br)ccc2[O-])COC1 ZINC000840711015 620130679 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ZINC000904173304 621885132 /nfs/dbraw/zinc/88/51/32/621885132.db2.gz IYYJITJEKIQTLB-UHFFFAOYSA-N -1 3 295.354 3.473 20 30 CGEDHM CCCc1nc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)o1 ZINC000904177624 621885401 /nfs/dbraw/zinc/88/54/01/621885401.db2.gz JQZADEQDAQCZGW-UHFFFAOYSA-N -1 3 292.310 3.106 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](C)CC(F)(F)F ZINC000904207289 621886175 /nfs/dbraw/zinc/88/61/75/621886175.db2.gz YBHXWOYJPCJZCY-VIFPVBQESA-N -1 3 255.280 3.373 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@H](C)C(F)(F)F ZINC000904206933 621886284 /nfs/dbraw/zinc/88/62/84/621886284.db2.gz MNZWEXLGFMHERJ-VIFPVBQESA-N -1 3 255.280 3.373 20 30 CGEDHM N#CCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904192691 621887563 /nfs/dbraw/zinc/88/75/63/621887563.db2.gz WDUIMLBZDGOOML-UHFFFAOYSA-N -1 3 266.728 3.142 20 30 CGEDHM CC(C)n1cnc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC000904192993 621887615 /nfs/dbraw/zinc/88/76/15/621887615.db2.gz HUJSMXDHAYMAQN-UHFFFAOYSA-N -1 3 293.754 3.149 20 30 CGEDHM O=C([C@H]1CCCOCC1)N([O-])CCCCc1ccccc1 ZINC000904197484 621888105 /nfs/dbraw/zinc/88/81/05/621888105.db2.gz FLGGZFFAXPKGLN-INIZCTEOSA-N -1 3 291.391 3.044 20 30 CGEDHM C#CCC1([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)CCC1 ZINC000906453697 622238840 /nfs/dbraw/zinc/23/88/40/622238840.db2.gz LCVSBWRWHCVXBN-UHFFFAOYSA-N -1 3 299.267 3.119 20 30 CGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1ccccn1 ZINC000046439850 622969510 /nfs/dbraw/zinc/96/95/10/622969510.db2.gz UBRGQRWIZUFROE-NPQIQWPPSA-N -1 3 266.275 3.110 20 30 CGEDHM CCOCCC/N=C/c1cc(Br)ccc1[O-] ZINC000060803157 623072697 /nfs/dbraw/zinc/07/26/97/623072697.db2.gz UYYATVMUTKDYPG-NTEUORMPSA-N -1 3 286.169 3.000 20 30 CGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cccs2)nc(C)n1 ZINC000916879642 624221218 /nfs/dbraw/zinc/22/12/18/624221218.db2.gz CQOFUEUBDZGSQU-SZZPACECSA-N -1 3 283.356 3.045 20 30 CGEDHM Cc1ccc([C@H](C)/N=C\c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000917558211 624284887 /nfs/dbraw/zinc/28/48/87/624284887.db2.gz JWHYBWFUMDJLPQ-CCSWUNFSSA-N -1 3 298.386 3.385 20 30 CGEDHM Cc1ncc(CO)c(/C=N\CC2CCCCCCC2)c1[O-] ZINC000917558449 624285065 /nfs/dbraw/zinc/28/50/65/624285065.db2.gz QCFSZATUUGJCLY-WQRHYEAKSA-N -1 3 290.407 3.367 20 30 CGEDHM CCC(C[C@@H](C)CC)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920384586 624487545 /nfs/dbraw/zinc/48/75/45/624487545.db2.gz YDVPTTDFXKNGNF-ZDUSSCGKSA-N -1 3 296.436 3.308 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)C1CCCCC1 ZINC000067952250 624664272 /nfs/dbraw/zinc/66/42/72/624664272.db2.gz KEANEENZAWONSA-GFHWABCWSA-N -1 3 281.783 3.406 20 30 CGEDHM Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c([O-])c1 ZINC000182150845 624944833 /nfs/dbraw/zinc/94/48/33/624944833.db2.gz KKVPPRIRVVJDDG-GFCCVEGCSA-N -1 3 296.326 3.244 20 30 CGEDHM CNC(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255841513 625975803 /nfs/dbraw/zinc/97/58/03/625975803.db2.gz CHXAJXRDLLVTEH-UHFFFAOYSA-N -1 3 288.734 3.156 20 30 CGEDHM C[C@H](C[C@H]1CCOC1)/N=C\c1cc(Cl)ccc1[O-] ZINC000759644944 626911367 /nfs/dbraw/zinc/91/13/67/626911367.db2.gz VWZMWNADEVUHET-YQHSZNCWSA-N -1 3 267.756 3.280 20 30 CGEDHM CCC(N=Nc1ccc(Cl)nn1)c1ccc([O-])c(F)c1 ZINC000764658145 627216801 /nfs/dbraw/zinc/21/68/01/627216801.db2.gz MRZGEFZFOZWYAD-UHFFFAOYSA-N -1 3 294.717 3.201 20 30 CGEDHM CC(=NNc1cccc(C#N)c1)c1ccc(C)cc1[O-] ZINC000767359221 627401206 /nfs/dbraw/zinc/40/12/06/627401206.db2.gz GPDBRTIVGLXFDT-UHFFFAOYSA-N -1 3 265.316 3.408 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCC2CCCCC2)c1 ZINC000776273011 628187702 /nfs/dbraw/zinc/18/77/02/628187702.db2.gz ANAVHXZRQRSBRQ-UHFFFAOYSA-N -1 3 259.305 3.001 20 30 CGEDHM CCc1c(C)sc([N-]C(=O)c2nccs2)c1C#N ZINC000783209841 628687790 /nfs/dbraw/zinc/68/77/90/628687790.db2.gz JFAWMLVMYXLLMG-UHFFFAOYSA-N -1 3 277.374 3.199 20 30 CGEDHM C=C[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000785997236 628906682 /nfs/dbraw/zinc/90/66/82/628906682.db2.gz KGDBBBFURWXVKO-AWEZNQCLSA-N -1 3 277.339 3.274 20 30 CGEDHM N#CCCCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786132785 628915875 /nfs/dbraw/zinc/91/58/75/628915875.db2.gz XVDUMGSMLTYUTR-UHFFFAOYSA-N -1 3 275.329 3.458 20 30 CGEDHM COc1cc(C=NN[C@@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000793114283 629413109 /nfs/dbraw/zinc/41/31/09/629413109.db2.gz KCGXPASSOIBUNT-VIFPVBQESA-N -1 3 284.787 3.412 20 30 CGEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000794847931 629587766 /nfs/dbraw/zinc/58/77/66/629587766.db2.gz KJKUTXVJBAXCPH-IQXLOCSISA-N -1 3 290.407 3.079 20 30 CGEDHM N#Cc1cccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794935709 629602285 /nfs/dbraw/zinc/60/22/85/629602285.db2.gz AGVZPXDANZTTGR-XQRVVYSFSA-N -1 3 285.249 3.438 20 30 CGEDHM [O-]c1ccc2c(c1F)CCC2=NNc1ccc(Cl)nc1 ZINC000807974309 630610012 /nfs/dbraw/zinc/61/00/12/630610012.db2.gz BLVMZGMKRIJNJO-UHFFFAOYSA-N -1 3 291.713 3.342 20 30 CGEDHM CC(=NOC[C@H]1CCOC1)c1cc(Cl)cc(C)c1[O-] ZINC000807984027 630611613 /nfs/dbraw/zinc/61/16/13/630611613.db2.gz FQKXZVSGMGCSAB-NSHDSACASA-N -1 3 283.755 3.131 20 30 CGEDHM C#CCN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000811525090 631083307 /nfs/dbraw/zinc/08/33/07/631083307.db2.gz DRFNPTVMBCGFAZ-UHFFFAOYSA-N 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YQOIWBROFFIOFZ-UHFFFAOYSA-N -1 3 287.392 3.289 20 30 CGEDHM CC(C)(C#N)CCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000819892196 632531293 /nfs/dbraw/zinc/53/12/93/632531293.db2.gz YQOIWBROFFIOFZ-UHFFFAOYSA-N -1 3 287.392 3.289 20 30 CGEDHM CCc1noc(CC)c1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866282185 633064510 /nfs/dbraw/zinc/06/45/10/633064510.db2.gz ZKGHGLUEHMYMLG-LLVKDONJSA-N -1 3 299.374 3.227 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccccc2)c(OC)cc1[O-] ZINC000122481294 633421642 /nfs/dbraw/zinc/42/16/42/633421642.db2.gz BXSLBPUNCLPBIQ-CMDGGOBGSA-N -1 3 284.311 3.306 20 30 CGEDHM N#CC[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000826861525 633437955 /nfs/dbraw/zinc/43/79/55/633437955.db2.gz GLWRBOYHOTYTGX-LLVKDONJSA-N -1 3 264.756 3.171 20 30 CGEDHM Cc1cc([O-])c(CN2CC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000827650400 633507045 /nfs/dbraw/zinc/50/70/45/633507045.db2.gz QJILCGXESPLRKD-AWEZNQCLSA-N -1 3 264.756 3.090 20 30 CGEDHM N#CC(=C([O-])C1=CCCCCC1)c1nnc2n1CCCCC2 ZINC000123845344 633912563 /nfs/dbraw/zinc/91/25/63/633912563.db2.gz JTYYIRODAROLTC-CQSZACIVSA-N -1 3 298.390 3.071 20 30 CGEDHM CC(=NOCCC(F)(F)F)c1cccc([O-])c1F ZINC000872366368 634121455 /nfs/dbraw/zinc/12/14/55/634121455.db2.gz WQAMBMDASXJRNB-UHFFFAOYSA-N -1 3 265.206 3.224 20 30 CGEDHM CC1(C)OCC[C@@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000840706072 635038103 /nfs/dbraw/zinc/03/81/03/635038103.db2.gz HBWPJLSVYQUDET-AAWHYMEISA-N -1 3 298.180 3.141 20 30 CGEDHM C#CC[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000844005031 635805632 /nfs/dbraw/zinc/80/56/32/635805632.db2.gz HNPZAEIMKPVYQI-GFCCVEGCSA-N -1 3 299.395 3.482 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@H](CC)CC2 ZINC000844655044 635950900 /nfs/dbraw/zinc/95/09/00/635950900.db2.gz XTRZFDAHKXFDTB-VHSXEESVSA-N -1 3 295.408 3.286 20 30 CGEDHM N#CC(=C([O-])C=CC1CCCCCC1)c1ccncn1 ZINC000845512897 636042862 /nfs/dbraw/zinc/04/28/62/636042862.db2.gz DYFDYEPXHLALDP-DANTVBBOSA-N -1 3 269.348 3.179 20 30 CGEDHM C=C(C)CO[N-]C(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC000846536546 636193845 /nfs/dbraw/zinc/19/38/45/636193845.db2.gz PTKLDNQPDXILHF-CYBMUJFWSA-N -1 3 277.364 3.203 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCC(C)(C)c1ccccc1 ZINC000846536306 636194032 /nfs/dbraw/zinc/19/40/32/636194032.db2.gz GFUGNLBAQDUYOK-UHFFFAOYSA-N -1 3 261.365 3.368 20 30 CGEDHM C=CCCO[N-]C(=O)CCCCCc1ccc(O)cc1 ZINC000857329774 638494031 /nfs/dbraw/zinc/49/40/31/638494031.db2.gz BPGNBIONAZJGKM-UHFFFAOYSA-N -1 3 277.364 3.119 20 30 CGEDHM CC(=NNCc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC001253079822 806160340 /nfs/dbraw/zinc/16/03/40/806160340.db2.gz FPNHTZFRDSGIDF-UHFFFAOYSA-N -1 3 276.286 3.184 20 30 CGEDHM Cc1nnc(-c2cc([O-])cc(-c3cccc(C#N)c3)c2)o1 ZINC001253470969 806224717 /nfs/dbraw/zinc/22/47/17/806224717.db2.gz NJUXSTYSYBWFCR-UHFFFAOYSA-N -1 3 277.283 3.289 20 30 CGEDHM C#CCCCCCc1cn(-c2ccc(Cl)cc2[O-])nn1 ZINC001254165300 806356952 /nfs/dbraw/zinc/35/69/52/806356952.db2.gz VSAZRZDDKHIJGS-UHFFFAOYSA-N -1 3 289.766 3.362 20 30 CGEDHM CCC[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC001161802312 806457476 /nfs/dbraw/zinc/45/74/76/806457476.db2.gz QMGJFTIDIRYXKW-SNVBAGLBSA-N -1 3 255.745 3.494 20 30 CGEDHM CCC1(CC(=O)N([O-])CCCCc2ccccc2)COC1 ZINC001161819042 806463275 /nfs/dbraw/zinc/46/32/75/806463275.db2.gz MBCAIBBKSDECBZ-UHFFFAOYSA-N -1 3 291.391 3.044 20 30 CGEDHM CCCCCCN([O-])C(=O)COCc1ccc(C)cc1 ZINC001161826504 806465527 /nfs/dbraw/zinc/46/55/27/806465527.db2.gz CQOIGHUHZMEPLI-UHFFFAOYSA-N -1 3 279.380 3.310 20 30 CGEDHM Cc1cc(Cl)nc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001161842457 806469828 /nfs/dbraw/zinc/46/98/28/806469828.db2.gz FNHNWTJSJIEZJU-UHFFFAOYSA-N -1 3 294.713 3.214 20 30 CGEDHM C#Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001254794568 806490545 /nfs/dbraw/zinc/49/05/45/806490545.db2.gz WOOFIHRDDRRRMF-UHFFFAOYSA-N -1 3 285.368 3.086 20 30 CGEDHM CC[C@H](CC#N)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001255156383 806556181 /nfs/dbraw/zinc/55/61/81/806556181.db2.gz OHDVIXRGKPCUNP-LLVKDONJSA-N -1 3 289.766 3.376 20 30 CGEDHM N#CC(=C([O-])C=CSCc1ccco1)c1ccccn1 ZINC000255341267 799170830 /nfs/dbraw/zinc/17/08/30/799170830.db2.gz NZIQCHBMIPOVNO-OYVUYXNMSA-N -1 3 284.340 3.298 20 30 CGEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)c(C)c(C)c1O ZINC000588507079 799703520 /nfs/dbraw/zinc/70/35/20/799703520.db2.gz YJNPLLFQGPFKNA-UHFFFAOYSA-N -1 3 287.315 3.185 20 30 CGEDHM CN1C(=O)CCc2cc(-c3cc(/C=N/[O-])ccc3F)ccc21 ZINC001244011739 803138667 /nfs/dbraw/zinc/13/86/67/803138667.db2.gz WCWQANHBFZVBRJ-VXLYETTFSA-N -1 3 298.317 3.210 20 30 CGEDHM CN1C(=O)CCc2cc(-c3ccccc3C=N[O-])ccc21 ZINC001244016161 803141361 /nfs/dbraw/zinc/14/13/61/803141361.db2.gz UJVWTZSUFGCPHF-UHFFFAOYSA-N -1 3 280.327 3.071 20 30 CGEDHM [O-]/N=C/c1cccc(-c2cncn2Cc2ccccc2)c1 ZINC001245197139 803661213 /nfs/dbraw/zinc/66/12/13/803661213.db2.gz NHQMQZJEWABAQW-VXLYETTFSA-N -1 3 277.327 3.407 20 30 CGEDHM N#Cc1ccc(Cl)nc1Nc1ccc([O-])c(F)c1F ZINC001212002980 814964933 /nfs/dbraw/zinc/96/49/33/814964933.db2.gz LTZPUHGGKWVBPJ-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM CCCCN(CC#N)Cc1ccc(Cl)cc1[O-] ZINC001140465092 804443793 /nfs/dbraw/zinc/44/37/93/804443793.db2.gz HGESFZFBEWSQKN-UHFFFAOYSA-N -1 3 252.745 3.171 20 30 CGEDHM C#Cc1ccccc1CC(=O)Nc1c([O-])cccc1Cl ZINC001141468965 804644365 /nfs/dbraw/zinc/64/43/65/804644365.db2.gz DZQRFGQRDOJZKX-UHFFFAOYSA-N -1 3 285.730 3.208 20 30 CGEDHM N#C[C@H]1CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142114211 804696293 /nfs/dbraw/zinc/69/62/93/804696293.db2.gz CBYHLFXRZDMTFN-SECBINFHSA-N -1 3 285.174 3.435 20 30 CGEDHM N#C[C@@H]1CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142114212 804696581 /nfs/dbraw/zinc/69/65/81/804696581.db2.gz CBYHLFXRZDMTFN-VIFPVBQESA-N -1 3 285.174 3.435 20 30 CGEDHM COc1c(C)cccc1Nc1cc(C#N)ccc1[O-] ZINC001248529138 804944740 /nfs/dbraw/zinc/94/47/40/804944740.db2.gz IIVXGEINKGZPCL-UHFFFAOYSA-N -1 3 254.289 3.325 20 30 CGEDHM N#Cc1cc(NC(=O)c2c[nH]c3ccc(F)cc23)ccc1[O-] ZINC001154138157 805435829 /nfs/dbraw/zinc/43/58/29/805435829.db2.gz ADRMNWCZYFXSAC-UHFFFAOYSA-N -1 3 295.273 3.137 20 30 CGEDHM COc1cccc(Nc2cc(C#N)ccc2[O-])c1OC ZINC001174017184 808825510 /nfs/dbraw/zinc/82/55/10/808825510.db2.gz FBRIDDQIIZQGFN-UHFFFAOYSA-N -1 3 270.288 3.025 20 30 CGEDHM Cn1ccc2cc(Nc3cc(C#N)ccc3[O-])ccc21 ZINC001174099088 808864993 /nfs/dbraw/zinc/86/49/93/808864993.db2.gz REUIUSXOVFCRML-UHFFFAOYSA-N -1 3 263.300 3.499 20 30 CGEDHM Cc1ccc([O-])c(C(=O)Nc2cc(C#N)c(F)cc2C)c1 ZINC001303309792 809608452 /nfs/dbraw/zinc/60/84/52/809608452.db2.gz HKFOQQFHGFXQQQ-UHFFFAOYSA-N -1 3 284.290 3.272 20 30 CGEDHM CC(C)Oc1ncccc1Nc1cc(C#N)ccc1[O-] ZINC001176731965 809753284 /nfs/dbraw/zinc/75/32/84/809753284.db2.gz HWCDSLHJEHQWQQ-UHFFFAOYSA-N -1 3 269.304 3.190 20 30 CGEDHM CCCCCCN([O-])C(=O)COCc1cccc(C)c1 ZINC001184314587 810190553 /nfs/dbraw/zinc/19/05/53/810190553.db2.gz BBOCKYHWTGSPHR-UHFFFAOYSA-N -1 3 279.380 3.310 20 30 CGEDHM N#Cc1cnoc1[N-]C(=O)Nc1cc(Cl)ccc1Cl ZINC001188968245 810528372 /nfs/dbraw/zinc/52/83/72/810528372.db2.gz CSOKOPVIYKRNNS-UHFFFAOYSA-N -1 3 297.101 3.497 20 30 CGEDHM C=CCOC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001194329991 811054229 /nfs/dbraw/zinc/05/42/29/811054229.db2.gz WUWYJXAZTUJDKZ-UHFFFAOYSA-N -1 3 293.319 3.082 20 30 CGEDHM CCc1cccc([O-])c1NC(=O)Nc1cccc(C#N)c1 ZINC001202790408 812174227 /nfs/dbraw/zinc/17/42/27/812174227.db2.gz DGQGBTJGJAIOFY-UHFFFAOYSA-N -1 3 281.315 3.470 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3ccc(O)cc3F)ccc21 ZINC001206080334 813193250 /nfs/dbraw/zinc/19/32/50/813193250.db2.gz JWCYUUDSODMWPI-ICFOKQHNSA-N -1 3 257.264 3.323 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2ccc(OC(F)F)nc2)c1 ZINC001210304181 814394042 /nfs/dbraw/zinc/39/40/42/814394042.db2.gz YMAHHTJNGQHJIW-UHFFFAOYSA-N -1 3 277.230 3.004 20 30 CGEDHM COc1ccc2c(c1Nc1ccc([O-])c(C#N)c1)C(=O)CC2 ZINC001210533290 814512916 /nfs/dbraw/zinc/51/29/16/814512916.db2.gz OVXKXJACNSIYKW-UHFFFAOYSA-N -1 3 294.310 3.145 20 30 CGEDHM N#Cc1ccccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001210737687 814602991 /nfs/dbraw/zinc/60/29/91/814602991.db2.gz MJALUDZOBRICGW-UHFFFAOYSA-N -1 3 276.299 3.193 20 30 CGEDHM COC(=O)c1cc(C)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001211175381 814842185 /nfs/dbraw/zinc/84/21/85/814842185.db2.gz QHTTVDNXDHBNHU-UHFFFAOYSA-N -1 3 282.299 3.103 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2c[nH]c3ncccc23)c1 ZINC001242860699 823155614 /nfs/dbraw/zinc/15/56/14/823155614.db2.gz KOFYAAZDTQBDEM-CNHKJKLMSA-N -1 3 255.252 3.177 20 30 CGEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(C)cc(C#N)cc1C ZINC001222677906 816497804 /nfs/dbraw/zinc/49/78/04/816497804.db2.gz JREOFWGGYSTUBC-UHFFFAOYSA-N -1 3 289.342 3.331 20 30 CGEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(C)cc(C#N)cc1C ZINC001222677906 816497808 /nfs/dbraw/zinc/49/78/08/816497808.db2.gz JREOFWGGYSTUBC-UHFFFAOYSA-N -1 3 289.342 3.331 20 30 CGEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1ccccc1F ZINC001223977113 816712831 /nfs/dbraw/zinc/71/28/31/816712831.db2.gz FXRGKSIZVOBFNQ-PXAAABLISA-N -1 3 260.268 3.134 20 30 CGEDHM Cc1cnc(=S)[n-]c1O[C@@H](CC#N)c1ccccc1 ZINC001225743373 817163633 /nfs/dbraw/zinc/16/36/33/817163633.db2.gz WLOQNPZWICJTJI-LBPRGKRZSA-N -1 3 271.345 3.108 20 30 CGEDHM CC(=O)[C@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226115087 817277036 /nfs/dbraw/zinc/27/70/36/817277036.db2.gz WMVWGDKOZAPFAM-KTZOAPACSA-N -1 3 269.300 3.204 20 30 CGEDHM N#CC[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001226334783 817330558 /nfs/dbraw/zinc/33/05/58/817330558.db2.gz YWIVZGIUXFTKTH-CQSZACIVSA-N -1 3 284.271 3.334 20 30 CGEDHM N#C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1F ZINC001226334897 817330926 /nfs/dbraw/zinc/33/09/26/817330926.db2.gz AEINFKJMNZOSSE-ZDUSSCGKSA-N -1 3 288.234 3.083 20 30 CGEDHM C=C[C@@]1(C)CC[C@H](Oc2cc(=O)[n-]c(CC)n2)C(C)(C)O1 ZINC001226475900 817370577 /nfs/dbraw/zinc/37/05/77/817370577.db2.gz NSOWNAKYIHLREC-ZBEGNZNMSA-N -1 3 292.379 3.026 20 30 CGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccnc(=S)[n-]2)O1 ZINC001226938599 817509852 /nfs/dbraw/zinc/50/98/52/817509852.db2.gz CBXJUQFONPVXPX-QMTHXVAHSA-N -1 3 280.393 3.046 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@H]2CCC(=O)c3ccccc32)c1 ZINC001227345554 817628453 /nfs/dbraw/zinc/62/84/53/817628453.db2.gz NUIHIPDIHJNXNS-INIZCTEOSA-N -1 3 279.295 3.360 20 30 CGEDHM CC(C)[C@H](Oc1cc(C#N)ccc1[O-])C(=O)OC(C)(C)C ZINC001227351713 817630964 /nfs/dbraw/zinc/63/09/64/817630964.db2.gz XUIXGYCHXDKXQM-AWEZNQCLSA-N -1 3 291.347 3.009 20 30 CGEDHM C=C[C@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227586530 817676239 /nfs/dbraw/zinc/67/62/39/817676239.db2.gz ASBHRISCNRLQIR-LURJTMIESA-N -1 3 261.090 3.247 20 30 CGEDHM C#CC[C@H](CC)Oc1c([O-])cc(Br)cc1F ZINC001227588354 817677888 /nfs/dbraw/zinc/67/78/88/817677888.db2.gz RDBMVOACKNWGRV-VIFPVBQESA-N -1 3 287.128 3.475 20 30 CGEDHM C[C@@H](CC(C)(C)S)Oc1cc2c(cc1[O-])CCC2=O ZINC001228855561 818024234 /nfs/dbraw/zinc/02/42/34/818024234.db2.gz MSRHSMDFRBHXFD-VIFPVBQESA-N -1 3 280.389 3.387 20 30 CGEDHM N#C[C@@H]1CCCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733859 818161870 /nfs/dbraw/zinc/16/18/70/818161870.db2.gz JQMIRKSRHIJRQM-LLVKDONJSA-N -1 3 264.756 3.171 20 30 CGEDHM N#Cc1ccc(CN(Cc2ccco2)C2CC2)c([O-])c1 ZINC001233387726 818607424 /nfs/dbraw/zinc/60/74/24/818607424.db2.gz VRYBAAVEAZYKSR-UHFFFAOYSA-N -1 3 268.316 3.021 20 30 CGEDHM N#C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455015 818624099 /nfs/dbraw/zinc/62/40/99/818624099.db2.gz SGTLUEKOMNITQO-JTQLQIEISA-N -1 3 284.281 3.147 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@@H]1COCc2ccccc21 ZINC001233524960 818633440 /nfs/dbraw/zinc/63/34/40/818633440.db2.gz SDONXMGKHYUFLX-GOSISDBHSA-N -1 3 293.322 3.433 20 30 CGEDHM C#C[C@@H](CCCCC)Oc1ccc2occ([O-])c2c1 ZINC001233677017 818676826 /nfs/dbraw/zinc/67/68/26/818676826.db2.gz DANJUELWKMPDLI-LBPRGKRZSA-N -1 3 258.317 3.223 20 30 CGEDHM CC#CC[C@@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233804459 818710321 /nfs/dbraw/zinc/71/03/21/818710321.db2.gz ZTDUZSFVQRFHAS-KWWJGWKXSA-N -1 3 261.321 3.074 20 30 CGEDHM COc1ccc(OC[C@@H](C)Oc2cc([O-])cc(C#N)c2)cc1 ZINC001234144547 818791261 /nfs/dbraw/zinc/79/12/61/818791261.db2.gz PUAXHKQNRCJJBB-GFCCVEGCSA-N -1 3 299.326 3.119 20 30 CGEDHM C=C[C@H](CCCCC)Oc1cccc([O-])c1C(N)=O ZINC001234149224 818792572 /nfs/dbraw/zinc/79/25/72/818792572.db2.gz NABNDILUFJZGHK-LLVKDONJSA-N -1 3 263.337 3.005 20 30 CGEDHM CC1CCC(Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234510708 818870010 /nfs/dbraw/zinc/87/00/10/818870010.db2.gz DRVYZBFKLVZVFN-UHFFFAOYSA-N -1 3 283.331 3.165 20 30 CGEDHM Cc1cc(C(=O)[O-])ccc1CN(C)Cc1ccc(C#N)cc1 ZINC001238137701 819940002 /nfs/dbraw/zinc/94/00/02/819940002.db2.gz BDYGTSJVYZOUEA-UHFFFAOYSA-N -1 3 294.354 3.197 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccc(OCC(F)(F)F)nc2)c1 ZINC001239956337 820736821 /nfs/dbraw/zinc/73/68/21/820736821.db2.gz VJDUBBNDNYMKLT-FBCYGCLPSA-N -1 3 296.248 3.498 20 30 CGEDHM Cn1cnc2ccc(-c3cc(/C=N/[O-])ccc3F)cc21 ZINC001240320584 820964483 /nfs/dbraw/zinc/96/44/83/820964483.db2.gz DGYBCZPLPJQJPC-QGMBQPNBSA-N -1 3 269.279 3.188 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cnn(CC4CC4)c3)ccc21 ZINC001240515927 821112320 /nfs/dbraw/zinc/11/23/20/821112320.db2.gz GJJKJKHAGRUYCM-VLGSPTGOSA-N -1 3 267.332 3.085 20 30 CGEDHM CC(C)Cn1cc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001240892179 821395505 /nfs/dbraw/zinc/39/55/05/821395505.db2.gz UDWWIAJYNROFSN-VLGSPTGOSA-N -1 3 269.348 3.331 20 30 CGEDHM COc1cc(-c2cc([O-])cc(F)c2)cc(F)c1C#N ZINC001241280113 821698471 /nfs/dbraw/zinc/69/84/71/821698471.db2.gz DQWOHCFMAHFLQI-UHFFFAOYSA-N -1 3 261.227 3.218 20 30 CGEDHM C[C@H](C#N)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241444526 821837919 /nfs/dbraw/zinc/83/79/19/821837919.db2.gz FLCZWTTXDBEKDR-LLVKDONJSA-N -1 3 275.315 3.161 20 30 CGEDHM C[C@H](C#N)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241444526 821837924 /nfs/dbraw/zinc/83/79/24/821837924.db2.gz FLCZWTTXDBEKDR-LLVKDONJSA-N -1 3 275.315 3.161 20 30 CGEDHM Cc1cc(-c2ccc3c(c2)CC/C3=N/[O-])cc(C)n1 ZINC001241994911 822262879 /nfs/dbraw/zinc/26/28/79/822262879.db2.gz MNLNVZCWNUAEQZ-VLGSPTGOSA-N -1 3 252.317 3.490 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cnn(C(F)(F)F)c3)ccc21 ZINC001242465080 823001244 /nfs/dbraw/zinc/00/12/44/823001244.db2.gz UTUIPJLXYWQFHP-PDGQHHTCSA-N -1 3 281.237 3.151 20 30 CGEDHM CC1(C)Cc2cc(-c3ccc([O-])c(C#N)c3)ccc2NC1=O ZINC001242566278 823036474 /nfs/dbraw/zinc/03/64/74/823036474.db2.gz QWSURPMJDWKXSA-UHFFFAOYSA-N -1 3 292.338 3.452 20 30 CGEDHM N#Cc1cc(F)ccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001242581154 823042661 /nfs/dbraw/zinc/04/26/61/823042661.db2.gz XSWQRLTZODZNTE-UHFFFAOYSA-N -1 3 299.252 3.462 20 30 CGEDHM O=C([C@@H]1CCC[C@@H](F)C1)N([O-])Cc1ccc(F)cc1 ZINC001339281775 936363814 /nfs/dbraw/zinc/36/38/14/936363814.db2.gz TUAFODSKRGOYMO-DGCLKSJQSA-N -1 3 269.291 3.072 20 30 CGEDHM N#CC(=C([O-])C1=CCCCCC1)c1cccc(F)n1 ZINC001343348511 936496086 /nfs/dbraw/zinc/49/60/86/936496086.db2.gz FCVPJTNQASCCAF-LBPRGKRZSA-N -1 3 258.296 3.287 20 30 CGEDHM C=C[C@@H](CCC)Oc1ncc(Br)cc1[O-] ZINC001228956932 927312595 /nfs/dbraw/zinc/31/25/95/927312595.db2.gz SJBMBWIOLGUDAF-VIFPVBQESA-N -1 3 272.142 3.283 20 30 CGEDHM CCCCN([O-])C(=O)c1sc(-c2ccccn2)nc1C ZINC001161831857 931986568 /nfs/dbraw/zinc/98/65/68/931986568.db2.gz FYXUJXCZESMNNJ-UHFFFAOYSA-N -1 3 291.376 3.145 20 30 CGEDHM C#CC[C@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229569613 932173727 /nfs/dbraw/zinc/17/37/27/932173727.db2.gz LYHDGPMONMECKY-QMMMGPOBSA-N -1 3 264.375 3.161 20 30 CGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(C)[n-]c(=O)c2C)O1 ZINC001229685384 932188359 /nfs/dbraw/zinc/18/83/59/932188359.db2.gz MGCPZUCDSQCNNG-BLLLJJGKSA-N -1 3 292.379 3.080 20 30 CGEDHM N#Cc1cccc(OC(=C([O-])c2ccco2)c2ccco2)n1 ZINC001230044034 932529286 /nfs/dbraw/zinc/52/92/86/932529286.db2.gz UYMPJHOJCPSUHU-MRXNPFEDSA-N -1 3 294.266 3.142 20 30 CGEDHM CCCCN([O-])C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001306897168 932891052 /nfs/dbraw/zinc/89/10/52/932891052.db2.gz BSOBTXURULQEHW-SNVBAGLBSA-N -1 3 255.745 3.461 20 30 CGEDHM O=C([C@@H]1CCCS1)N([O-])CCCCc1ccccc1 ZINC001306896411 932891153 /nfs/dbraw/zinc/89/11/53/932891153.db2.gz WDLXCWUTHDDSFH-AWEZNQCLSA-N -1 3 279.405 3.123 20 30 CGEDHM CCCCCCN([O-])C(=O)c1sccc1C#N ZINC001306897071 932893008 /nfs/dbraw/zinc/89/30/08/932893008.db2.gz YBAMCOCIKXSZMB-UHFFFAOYSA-N -1 3 252.339 3.031 20 30 CGEDHM C[C@@H](NCc1ccc([O-])c(F)c1F)c1cccc(C#N)c1 ZINC001308939078 933207841 /nfs/dbraw/zinc/20/78/41/933207841.db2.gz SSBWHIWUNHBTOD-SNVBAGLBSA-N -1 3 288.297 3.393 20 30 CGEDHM C#CCN(CC1CC1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001323328569 934384772 /nfs/dbraw/zinc/38/47/72/934384772.db2.gz YSPVLYVAVOPIRX-UHFFFAOYSA-N -1 3 271.360 3.001 20 30 CGEDHM C=CC[C@H](C)NC(=O)c1ccc(OCCCC)cc1[O-] ZINC001472510450 937777127 /nfs/dbraw/zinc/77/71/27/937777127.db2.gz NQDSASSXFNKXEN-LBPRGKRZSA-N -1 3 277.364 3.266 20 30 CGEDHM CCCCN([O-])C(=O)Cc1ccccc1Br ZINC001472620679 937778523 /nfs/dbraw/zinc/77/85/23/937778523.db2.gz MAVGGMWUZRXXAE-UHFFFAOYSA-N -1 3 286.169 3.010 20 30 CGEDHM N#CC(=C([O-])c1cncc2ccccc21)c1cccc(F)n1 ZINC001524718620 938045104 /nfs/dbraw/zinc/04/51/04/938045104.db2.gz YCPYCQUYVIXKIH-ZDUSSCGKSA-N -1 3 291.285 3.259 20 30 CGEDHM Cc1nc(C)c(C(=O)N([O-])Cc2cccc3ccccc32)[nH]1 ZINC001559036829 938219174 /nfs/dbraw/zinc/21/91/74/938219174.db2.gz YICURQSUFJJBEF-UHFFFAOYSA-N -1 3 295.342 3.211 20 30 CGEDHM CC[C@H]1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001559037248 938219235 /nfs/dbraw/zinc/21/92/35/938219235.db2.gz OZYFDIWRERKMNN-GXTWGEPZSA-N -1 3 265.328 3.370 20 30 CGEDHM C=CC1CCN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)CC1 ZINC001573350177 962966823 /nfs/dbraw/zinc/96/68/23/962966823.db2.gz FIOBHCVWOWZNIR-UHFFFAOYSA-N -1 3 276.380 3.234 20 30 CGEDHM C=C(C)CCOc1c(-c2nnn[n-]2)cnc2ccc(C)cc21 ZINC001588424388 963271440 /nfs/dbraw/zinc/27/14/40/963271440.db2.gz IIYYVABTTYHHFU-UHFFFAOYSA-N -1 3 295.346 3.068 20 30 CGEDHM C=C(C)CCOc1c(-c2nn[n-]n2)cnc2ccc(C)cc21 ZINC001588424388 963271451 /nfs/dbraw/zinc/27/14/51/963271451.db2.gz IIYYVABTTYHHFU-UHFFFAOYSA-N -1 3 295.346 3.068 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588456790 963280776 /nfs/dbraw/zinc/28/07/76/963280776.db2.gz VYKKSQYOHAAKRH-TXEJJXNPSA-N -1 3 299.353 3.002 20 30 CGEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588456790 963280786 /nfs/dbraw/zinc/28/07/86/963280786.db2.gz VYKKSQYOHAAKRH-TXEJJXNPSA-N -1 3 299.353 3.002 20 30 CGEDHM C=CCCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000398152929 973075599 /nfs/dbraw/zinc/07/55/99/973075599.db2.gz FDYPLEPKARKAIW-ZJUUUORDSA-N -1 3 268.382 3.237 20 30 CGEDHM Cc1c2cc(C#N)ccc2sc1C(=O)[N-]c1cnoc1 ZINC000590201032 346836360 /nfs/dbraw/zinc/83/63/60/346836360.db2.gz CFXSTORVNPUTQK-UHFFFAOYSA-N -1 3 283.312 3.322 20 30 CGEDHM CCCc1nc(C(=O)[N-]c2sc(C)c(C)c2C#N)co1 ZINC000337778735 214258445 /nfs/dbraw/zinc/25/84/45/214258445.db2.gz ZOQHABRVHKLZMW-UHFFFAOYSA-N -1 3 289.360 3.429 20 30 CGEDHM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2ccccn2)cc1C ZINC000350917747 529439028 /nfs/dbraw/zinc/43/90/28/529439028.db2.gz KBXZJVOAFLDIMK-DGCLKSJQSA-N -1 3 282.347 3.048 20 30 CGEDHM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2ccccn2)cc1C ZINC000350917749 529439039 /nfs/dbraw/zinc/43/90/39/529439039.db2.gz KBXZJVOAFLDIMK-YPMHNXCESA-N -1 3 282.347 3.048 20 30 CGEDHM CCn1c(C)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1C ZINC000049406103 345073920 /nfs/dbraw/zinc/07/39/20/345073920.db2.gz WPLDMVULVGKZSC-OAHLLOKOSA-N -1 3 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CCc1ccc([C@@H](C#N)NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436837272 372841288 /nfs/dbraw/zinc/84/12/88/372841288.db2.gz HDUFRXLQGJUIKM-MRXNPFEDSA-N -1 3 294.354 3.258 20 30 CGEDHM C=CCn1cccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436868555 372843117 /nfs/dbraw/zinc/84/31/17/372843117.db2.gz ILZDSQFZHLOVHZ-UHFFFAOYSA-N -1 3 267.288 3.097 20 30 CGEDHM Cc1nsc([N-]C(=O)c2ncsc2C(C)C)c1C#N ZINC000298547069 373353023 /nfs/dbraw/zinc/35/30/23/373353023.db2.gz DHZAPBHZONXEDU-UHFFFAOYSA-N -1 3 292.389 3.155 20 30 CGEDHM Cc1cccc(OCC(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000073973547 541902052 /nfs/dbraw/zinc/90/20/52/541902052.db2.gz UIVOBELHSQIXHA-UHFFFAOYSA-N -1 3 298.302 3.040 20 30 CGEDHM Cc1cccc(OCC(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000073973547 541902059 /nfs/dbraw/zinc/90/20/59/541902059.db2.gz UIVOBELHSQIXHA-UHFFFAOYSA-N -1 3 298.302 3.040 20 30 CGEDHM Cc1cccc(OCC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000073973547 541902066 /nfs/dbraw/zinc/90/20/66/541902066.db2.gz UIVOBELHSQIXHA-UHFFFAOYSA-N -1 3 298.302 3.040 20 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299.317 3.420 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)c1cccc(C#N)c1C ZINC000338178910 376275732 /nfs/dbraw/zinc/27/57/32/376275732.db2.gz RGCAIRJNXXFSGS-UHFFFAOYSA-N -1 3 266.300 3.133 20 30 CGEDHM C=C(C)C[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000545246781 376802872 /nfs/dbraw/zinc/80/28/72/376802872.db2.gz VOUZCLMQCUGZPI-LBPRGKRZSA-N -1 3 283.375 3.348 20 30 CGEDHM C=CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000568758210 377523712 /nfs/dbraw/zinc/52/37/12/377523712.db2.gz LFCANDKFGIKANC-UHFFFAOYSA-N -1 3 265.740 3.189 20 30 CGEDHM C=CCN(C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000570338298 377535120 /nfs/dbraw/zinc/53/51/20/377535120.db2.gz PULWHOXGGWUQFH-NSHDSACASA-N -1 3 274.147 3.237 20 30 CGEDHM C=CCCN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000342743322 377768276 /nfs/dbraw/zinc/76/82/76/377768276.db2.gz ZEECCHBNFPYADS-UHFFFAOYSA-N -1 3 283.331 3.090 20 30 CGEDHM C=CCCCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000343839061 378110032 /nfs/dbraw/zinc/11/00/32/378110032.db2.gz XLUTVDOAVKOPPW-UHFFFAOYSA-N -1 3 291.301 3.072 20 30 CGEDHM N#Cc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000350144458 379516989 /nfs/dbraw/zinc/51/69/89/379516989.db2.gz DDTACLLHIZOWSB-UHFFFAOYSA-N -1 3 260.243 3.154 20 30 CGEDHM N#Cc1c2c(sc1[N-]C(=O)c1ocnc1C1CC1)CCC2 ZINC000288133744 197011426 /nfs/dbraw/zinc/01/14/26/197011426.db2.gz MSLLVYJXBLWCQE-UHFFFAOYSA-N -1 3 299.355 3.226 20 30 CGEDHM CC(C)c1cc(C(=O)N(C)CC#N)c([O-])c(C(C)C)c1 ZINC000094072651 392241333 /nfs/dbraw/zinc/24/13/33/392241333.db2.gz TYYQESWJFWNHHC-UHFFFAOYSA-N -1 3 274.364 3.235 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/CCOCC1CC1 ZINC000264586252 393160648 /nfs/dbraw/zinc/16/06/48/393160648.db2.gz YQEBFFNPXWQJHX-OVCLIPMQSA-N -1 3 298.180 3.000 20 30 CGEDHM C=C[C@@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427161104 393454176 /nfs/dbraw/zinc/45/41/76/393454176.db2.gz DYHORBGRLFWSEL-SSDOTTSWSA-N -1 3 281.768 3.096 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1scnc1C1CC1 ZINC000089720860 287093956 /nfs/dbraw/zinc/09/39/56/287093956.db2.gz 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ZINC000290925116 263119213 /nfs/dbraw/zinc/11/92/13/263119213.db2.gz IDXDQRMRFXIILO-AUUUKSDWSA-N -1 3 291.391 3.415 20 30 CGEDHM C=C(C)CCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000452718315 263136431 /nfs/dbraw/zinc/13/64/31/263136431.db2.gz PMZYGTHGFSWZPO-UHFFFAOYSA-N -1 3 273.254 3.107 20 30 CGEDHM CCc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)ccc1[O-] ZINC000293098567 263137853 /nfs/dbraw/zinc/13/78/53/263137853.db2.gz ZEKGNAWKMJSKBK-HNNXBMFYSA-N -1 3 286.375 3.109 20 30 CGEDHM CC[C@H](NC(=O)c1cccc(C)c1[O-])C1CCOCC1 ZINC000331237410 264175214 /nfs/dbraw/zinc/17/52/14/264175214.db2.gz MXUNDWWVMAHURH-AWEZNQCLSA-N -1 3 277.364 3.210 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@H](CO)C(C)(C)C)c([O-])c1 ZINC000331310009 264186191 /nfs/dbraw/zinc/18/61/91/264186191.db2.gz YPMDBQFKYAVLSS-CQSZACIVSA-N -1 3 279.380 3.227 20 30 CGEDHM CC[C@@H](CC#N)NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000290972761 328261362 /nfs/dbraw/zinc/26/13/62/328261362.db2.gz XOYXEPGEBPMLAV-NSHDSACASA-N -1 3 272.270 3.193 20 30 CGEDHM Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)c([O-])c1 ZINC000159553477 321836670 /nfs/dbraw/zinc/83/66/70/321836670.db2.gz UGHQRROCFBJKGA-UHFFFAOYSA-N -1 3 286.718 3.478 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1C ZINC000177767626 329186719 /nfs/dbraw/zinc/18/67/19/329186719.db2.gz KFGVRQHUFRQYKO-NSHDSACASA-N -1 3 287.388 3.404 20 30 CGEDHM CCc1cc(C(=O)N2CCC(CCC#N)CC2)ccc1[O-] ZINC000571804909 329922064 /nfs/dbraw/zinc/92/20/64/329922064.db2.gz KYLQKWIXGXQPNA-UHFFFAOYSA-N -1 3 286.375 3.111 20 30 CGEDHM C=CC[C@@H]1N(C(=O)c2cccc(O)c2[O-])CCCC1(C)C ZINC000277874298 330118484 /nfs/dbraw/zinc/11/84/84/330118484.db2.gz DRJIAFXJEKTUEZ-AWEZNQCLSA-N -1 3 289.375 3.305 20 30 CGEDHM COc1cc(Cl)cc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000344751990 533954108 /nfs/dbraw/zinc/95/41/08/533954108.db2.gz WUEFAZOGFVJVHD-ZDUSSCGKSA-N -1 3 286.718 3.234 20 30 CGEDHM Cc1ccc([O-])c(CNc2cc(C#N)ccc2OC(C)C)n1 ZINC000354853871 534199104 /nfs/dbraw/zinc/19/91/04/534199104.db2.gz BAGRMDGFRXFVRV-UHFFFAOYSA-N -1 3 297.358 3.367 20 30 CGEDHM CC1(CNC(=O)c2csc(=O)[n-]2)CCCCC1 ZINC000329978547 527901483 /nfs/dbraw/zinc/90/14/83/527901483.db2.gz HTDTVDLSIBUTNF-UHFFFAOYSA-N -1 3 254.355 3.124 20 30 CGEDHM CC(=NNC1CCCC1)c1cc(Br)ccc1[O-] ZINC000727652494 571760194 /nfs/dbraw/zinc/76/01/94/571760194.db2.gz PSKKNDLLLLERRC-UHFFFAOYSA-N -1 3 297.196 3.411 20 30 CGEDHM CCOc1ccccc1CC/N=C/c1ccccc1[O-] ZINC000727653010 571760950 /nfs/dbraw/zinc/76/09/50/571760950.db2.gz ADQGNBLLEUDWGB-QGOAFFKASA-N -1 3 269.344 3.453 20 30 CGEDHM Cc1noc(C)c1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728230225 571796904 /nfs/dbraw/zinc/79/69/04/571796904.db2.gz BOZMZHOZNDZHLB-ALCCZGGFSA-N -1 3 257.289 3.202 20 30 CGEDHM CC(C)[C@@H]1CCC[C@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000728785447 571822072 /nfs/dbraw/zinc/82/20/72/571822072.db2.gz GSBONWXIZFTYCI-FMBJEWMDSA-N -1 3 277.364 3.437 20 30 CGEDHM CC(=NNCc1cccc(F)c1)c1ccc([O-])cc1F ZINC000729932940 571937291 /nfs/dbraw/zinc/93/72/91/571937291.db2.gz OIQRGARXCUEJCM-UHFFFAOYSA-N -1 3 276.286 3.184 20 30 CGEDHM CC(=NOCc1cccnc1)c1ccc(C)cc1[O-] ZINC000746588043 571975134 /nfs/dbraw/zinc/97/51/34/571975134.db2.gz JBWFMEITNOSQRI-UHFFFAOYSA-N -1 3 256.305 3.036 20 30 CGEDHM Cc1cc(C)cc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000730434286 572353332 /nfs/dbraw/zinc/35/33/32/572353332.db2.gz IQPZBKXDYUCZMO-HHGUGQKFSA-N -1 3 298.386 3.385 20 30 CGEDHM [O-]c1ccccc1/C=N\C[C@@]1(O)CCCc2ccccc21 ZINC000731320361 572407520 /nfs/dbraw/zinc/40/75/20/572407520.db2.gz YQRDIKVLYUBWRR-IZILLXMLSA-N -1 3 281.355 3.035 20 30 CGEDHM C=CCN(CCc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000731871415 572430762 /nfs/dbraw/zinc/43/07/62/572430762.db2.gz JWCSHXSTFHRBKK-UHFFFAOYSA-N -1 3 287.384 3.325 20 30 CGEDHM Cn1cccc1[C@H](O)C/N=C\c1c([O-])ccc2ccccc21 ZINC000741466006 572500761 /nfs/dbraw/zinc/50/07/61/572500761.db2.gz ASKJCKQJPXXKLZ-NPBUNYCVSA-N -1 3 294.354 3.036 20 30 CGEDHM [O-]c1c(O)ccc(/C=N\Cc2coc3ccccc23)c1O ZINC000733903220 572611364 /nfs/dbraw/zinc/61/13/64/572611364.db2.gz IVKGQDIEHQKDOA-IDUWFGFVSA-N -1 3 283.283 3.169 20 30 CGEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc([O-])cc1 ZINC000747062493 572907353 /nfs/dbraw/zinc/90/73/53/572907353.db2.gz YPKWJYXRJUWICF-UHFFFAOYSA-N -1 3 271.276 3.055 20 30 CGEDHM Cc1nnc(C)n1N=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000749444314 573004586 /nfs/dbraw/zinc/00/45/86/573004586.db2.gz PXACXLDWBGLXFS-UHFFFAOYSA-N -1 3 292.342 3.150 20 30 CGEDHM CCOc1ccc(/C=N\[C@H](C)Cc2ccncc2)c([O-])c1 ZINC000749844585 573046109 /nfs/dbraw/zinc/04/61/09/573046109.db2.gz KVFFGBAHUHOFQC-CQLSMYGBSA-N -1 3 284.359 3.236 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@H](C)c1ncc(C)s1 ZINC000749931172 573062528 /nfs/dbraw/zinc/06/25/28/573062528.db2.gz RBSQTPQJEDDYNS-XBLUXWHVSA-N -1 3 276.361 3.346 20 30 CGEDHM C=CCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000385929622 600436442 /nfs/dbraw/zinc/43/64/42/600436442.db2.gz ACMSEWDMYVWTEE-QGZVFWFLSA-N -1 3 297.354 3.167 20 30 CGEDHM CC1CCC(N(C)Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833604314 604602067 /nfs/dbraw/zinc/60/20/67/604602067.db2.gz QYXCCYLAZWFPSK-UHFFFAOYSA-N -1 3 286.375 3.267 20 30 CGEDHM O=C(/C=C\c1ccc([O-])cc1F)c1cnn(C2CCC2)c1 ZINC000899400988 620692281 /nfs/dbraw/zinc/69/22/81/620692281.db2.gz QFQAJTGRCJNOJX-ALCCZGGFSA-N -1 3 286.306 3.349 20 30 CGEDHM CCCCCCCN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825270707 607885933 /nfs/dbraw/zinc/88/59/33/607885933.db2.gz BYRMBOXCJFNHDW-UHFFFAOYSA-N -1 3 272.356 3.235 20 30 CGEDHM CCCCCCCN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825270707 607885934 /nfs/dbraw/zinc/88/59/34/607885934.db2.gz BYRMBOXCJFNHDW-UHFFFAOYSA-N -1 3 272.356 3.235 20 30 CGEDHM C=C(CC)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823883032 608298657 /nfs/dbraw/zinc/29/86/57/608298657.db2.gz IXOMOMDKWSNOPQ-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM C=C(CC)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823883032 608298658 /nfs/dbraw/zinc/29/86/58/608298658.db2.gz IXOMOMDKWSNOPQ-UHFFFAOYSA-N -1 3 260.366 3.066 20 30 CGEDHM O=C(Cc1ccccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000899895421 620733778 /nfs/dbraw/zinc/73/37/78/620733778.db2.gz SQOYMXKSEBDCAO-UHFFFAOYSA-N -1 3 293.725 3.440 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccccc2C#N)ccc1[O-] ZINC000255201414 618072805 /nfs/dbraw/zinc/07/28/05/618072805.db2.gz FTTBRVAPYVPLFN-VURMDHGXSA-N -1 3 279.295 3.169 20 30 CGEDHM Cc1nn(C)c(C)c1CC/N=C\c1cc(Cl)ccc1[O-] ZINC000255029475 617756334 /nfs/dbraw/zinc/75/63/34/617756334.db2.gz XNAAREROAOOGFK-MFOYZWKCSA-N -1 3 291.782 3.058 20 30 CGEDHM C[C@@H]1C[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091589 620760506 /nfs/dbraw/zinc/76/05/06/620760506.db2.gz CPHIUIKYEMOANS-ABAIWWIYSA-N -1 3 255.317 3.214 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCC=CO1 ZINC000780149367 618568626 /nfs/dbraw/zinc/56/86/26/618568626.db2.gz MZTCASAUUTWUNM-AZZDOICSSA-N -1 3 296.164 3.266 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000255714681 618780007 /nfs/dbraw/zinc/78/00/07/618780007.db2.gz GFHXNXQQQQFIPA-GFRZTUMGSA-N -1 3 279.767 3.422 20 30 CGEDHM [O-]c1c(O)ccc(C=Nc2ccc3scnc3c2)c1O ZINC000255768072 618786922 /nfs/dbraw/zinc/78/69/22/618786922.db2.gz HNGWEXVEVAXFSC-UHFFFAOYSA-N -1 3 286.312 3.164 20 30 CGEDHM COc1cc(C(=O)/C=C\c2ccc(N(C)C)cc2)ccc1[O-] ZINC000219865666 619034274 /nfs/dbraw/zinc/03/42/74/619034274.db2.gz QVIYYUNPUWKRMC-POHAHGRESA-N -1 3 297.354 3.363 20 30 CGEDHM COc1cc(C(=O)/C=C/c2ccccc2)ccc1[O-] ZINC000015352685 619555200 /nfs/dbraw/zinc/55/52/00/619555200.db2.gz SBOLHVAMAJVIIF-VQHVLOKHSA-N -1 3 254.285 3.297 20 30 CGEDHM C=C(C)COc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000193011421 619726794 /nfs/dbraw/zinc/72/67/94/619726794.db2.gz KCCAKDZHQKBEMQ-UHFFFAOYSA-N -1 3 299.326 3.305 20 30 CGEDHM CC(C)(O)C(C)(C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000840709653 620105403 /nfs/dbraw/zinc/10/54/03/620105403.db2.gz KUWOXUVFZDNLHM-LZYBPNLTSA-N -1 3 269.772 3.262 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CC12CCOCC2 ZINC000840710534 620119274 /nfs/dbraw/zinc/11/92/74/620119274.db2.gz SXFWWYLKZCOOLN-LWLPBDFMSA-N -1 3 265.740 3.034 20 30 CGEDHM N#CC1(CCCC[S@@](=O)c2ccc([O-])cc2)CCC1 ZINC000899278958 620634772 /nfs/dbraw/zinc/63/47/72/620634772.db2.gz WPZYXZFCBLRMRN-LJQANCHMSA-N -1 3 277.389 3.364 20 30 CGEDHM CC1(C(=O)N([O-])Cc2cccc3ccccc32)CCOCC1 ZINC000901370024 620866017 /nfs/dbraw/zinc/86/60/17/620866017.db2.gz OVTYRRKZCWSRBX-UHFFFAOYSA-N -1 3 299.370 3.374 20 30 CGEDHM CC1(C)CC[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)OC1 ZINC000901373157 620867383 /nfs/dbraw/zinc/86/73/83/620867383.db2.gz SXURDTQWSWTEKT-AWEZNQCLSA-N -1 3 295.354 3.139 20 30 CGEDHM O=C(Cc1ccc2c(c1)CCC2)N([O-])Cc1ccc(F)cc1 ZINC000901375678 620868116 /nfs/dbraw/zinc/86/81/16/620868116.db2.gz JRZANBAXFMCUTM-UHFFFAOYSA-N -1 3 299.345 3.275 20 30 CGEDHM C[C@H]1CCCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375729 620868165 /nfs/dbraw/zinc/86/81/65/620868165.db2.gz LJCLQHHDSNBLQI-FZMZJTMJSA-N -1 3 265.328 3.370 20 30 CGEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1F ZINC000901376271 620868390 /nfs/dbraw/zinc/86/83/90/620868390.db2.gz RYAIJQHMSUNOSC-UHFFFAOYSA-N -1 3 277.270 3.305 20 30 CGEDHM N#Cc1cc(Cl)cc(CN2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000903408008 621731893 /nfs/dbraw/zinc/73/18/93/621731893.db2.gz CZRWNOCOECFSHR-CQSZACIVSA-N -1 3 292.766 3.041 20 30 CGEDHM C=CCN(Cc1cccs1)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000903595343 621772978 /nfs/dbraw/zinc/77/29/78/621772978.db2.gz LKZPOTJPNSUIJV-AAEUAGOBSA-N -1 3 267.394 3.235 20 30 CGEDHM O=C([C@H]1CCCS1)N([O-])Cc1cccc2ccccc21 ZINC000904171058 621883996 /nfs/dbraw/zinc/88/39/96/621883996.db2.gz IUWZFVWLUFAYEM-OAHLLOKOSA-N -1 3 287.384 3.453 20 30 CGEDHM O=C([C@H]1CC12CCSCC2)N([O-])Cc1ccc(F)cc1 ZINC000904177698 621885470 /nfs/dbraw/zinc/88/54/70/621885470.db2.gz LWTMEBACZADRJO-CYBMUJFWSA-N -1 3 295.379 3.077 20 30 CGEDHM CCCCN([O-])C(=O)C[C@@H](C)c1ccccc1OC ZINC000904210213 621885987 /nfs/dbraw/zinc/88/59/87/621885987.db2.gz IKNQUOYBKXMVAF-GFCCVEGCSA-N -1 3 265.353 3.207 20 30 CGEDHM O=C(N([O-])CCCCc1ccccc1)C12CC(C1)C2 ZINC000904196602 621887923 /nfs/dbraw/zinc/88/79/23/621887923.db2.gz ZLEWCSAXAHUIJZ-UHFFFAOYSA-N -1 3 259.349 3.027 20 30 CGEDHM O=C([C@H]1CC12CC2)N([O-])CCCCc1ccccc1 ZINC000904195555 621888023 /nfs/dbraw/zinc/88/80/23/621888023.db2.gz HYWXBSZIKRJKCD-CQSZACIVSA-N -1 3 259.349 3.027 20 30 CGEDHM CCCCN([O-])C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000904215047 621889342 /nfs/dbraw/zinc/88/93/42/621889342.db2.gz YGPBYDUBJNVPRM-ZYHUDNBSSA-N -1 3 261.312 3.220 20 30 CGEDHM CCCC(CCC)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000063427509 623323445 /nfs/dbraw/zinc/32/34/45/623323445.db2.gz PPAHSCJZPSVECK-UHFFFAOYSA-N -1 3 282.409 3.062 20 30 CGEDHM CC(=NNCc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000915965669 624093693 /nfs/dbraw/zinc/09/36/93/624093693.db2.gz WXUURXYSWZTFOU-UHFFFAOYSA-N -1 3 276.286 3.184 20 30 CGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000916908573 624222207 /nfs/dbraw/zinc/22/22/07/624222207.db2.gz BCDLPDYHAGKUSG-OAHLLOKOSA-N -1 3 296.326 3.112 20 30 CGEDHM Cc1ccc([O-])c(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000182151998 624945410 /nfs/dbraw/zinc/94/54/10/624945410.db2.gz NVSKWZNFAOILLQ-LBPRGKRZSA-N -1 3 296.326 3.244 20 30 CGEDHM N#CC1CCC(COC(=O)c2cc3occc3[n-]2)CC1 ZINC000922668871 626028971 /nfs/dbraw/zinc/02/89/71/626028971.db2.gz IDOFHRMKRFNQCH-UHFFFAOYSA-N -1 3 272.304 3.248 20 30 CGEDHM CCCc1cc(C(=O)[N-]c2scc(C)c2C#N)no1 ZINC000839355517 626342327 /nfs/dbraw/zinc/34/23/27/626342327.db2.gz FUISNZPBURAZHC-UHFFFAOYSA-N -1 3 275.333 3.121 20 30 CGEDHM Cc1nnc([C@@H](C)/N=C/c2cc(Cl)ccc2[O-])s1 ZINC000758814754 626860922 /nfs/dbraw/zinc/86/09/22/626860922.db2.gz IDOKHUKQESILEZ-IOCLVDNSSA-N -1 3 281.768 3.386 20 30 CGEDHM COc1cc(C(=O)/C=C/c2nc(Cl)cs2)ccc1[O-] ZINC000759077000 626872884 /nfs/dbraw/zinc/87/28/84/626872884.db2.gz UZZMSNIPIAIMJK-SNAWJCMRSA-N -1 3 295.747 3.407 20 30 CGEDHM N#Cc1ccc(N=Cc2ccc(O)c([O-])c2O)c(Cl)c1 ZINC000767687687 627428336 /nfs/dbraw/zinc/42/83/36/627428336.db2.gz IELVBKBHZDGCHV-UHFFFAOYSA-N -1 3 288.690 3.079 20 30 CGEDHM C#CCN(CC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769110365 627523113 /nfs/dbraw/zinc/52/31/13/627523113.db2.gz CIUAAYUCRPFMJU-UHFFFAOYSA-N -1 3 258.148 3.154 20 30 CGEDHM Cc1c(C#N)cccc1N=Cc1cccc([O-])c1O ZINC000769774922 627577246 /nfs/dbraw/zinc/57/72/46/627577246.db2.gz WDGBNCKYHOJMTJ-UHFFFAOYSA-N -1 3 252.273 3.029 20 30 CGEDHM CC(C)c1nccnc1N=NC(C)c1ccc([O-])c(F)c1 ZINC000773075261 627851531 /nfs/dbraw/zinc/85/15/31/627851531.db2.gz WTHBUDLBKARYHC-UHFFFAOYSA-N -1 3 288.326 3.281 20 30 CGEDHM Cc1ncc(CO)c(/C=N/CC2(C)CCCCCC2)c1[O-] ZINC000776256888 628185583 /nfs/dbraw/zinc/18/55/83/628185583.db2.gz GZVWHERNOYDMTO-VCHYOVAHSA-N -1 3 290.407 3.367 20 30 CGEDHM CC(=NN[C@@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000780265453 628474284 /nfs/dbraw/zinc/47/42/84/628474284.db2.gz JAGCLYRPYPEWTE-CQSZACIVSA-N -1 3 284.359 3.038 20 30 CGEDHM C#CCCCCNC(=O)c1ccc(OCCCC)cc1[O-] ZINC000789807864 629168931 /nfs/dbraw/zinc/16/89/31/629168931.db2.gz YQRVJNKFRRDJAT-UHFFFAOYSA-N -1 3 289.375 3.104 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCSC1 ZINC000790598832 629218707 /nfs/dbraw/zinc/21/87/07/629218707.db2.gz PKBQOGRXSZJJCU-DUJAKZANSA-N -1 3 255.770 3.218 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCSC1 ZINC000790598831 629218886 /nfs/dbraw/zinc/21/88/86/629218886.db2.gz PKBQOGRXSZJJCU-CULDGANSSA-N -1 3 255.770 3.218 20 30 CGEDHM C[C@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)[C@H](C)O1 ZINC000863124896 629480661 /nfs/dbraw/zinc/48/06/61/629480661.db2.gz HIBDHPDJSXMLRZ-IUCAKERBSA-N -1 3 288.376 3.258 20 30 CGEDHM CO[C@@H](C)C(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128940 629481678 /nfs/dbraw/zinc/48/16/78/629481678.db2.gz RQEQKUHKZZUSJO-VIFPVBQESA-N -1 3 276.365 3.115 20 30 CGEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc2sccc2c([O-])c1 ZINC000793823495 629503479 /nfs/dbraw/zinc/50/34/79/629503479.db2.gz MOOAKGALVKJSAE-ZDUSSCGKSA-N -1 3 288.372 3.275 20 30 CGEDHM COc1cc(CN=Nc2ncccc2F)cc(Cl)c1[O-] ZINC000794992671 629615725 /nfs/dbraw/zinc/61/57/25/629615725.db2.gz ADOGTLCPAWXXIX-UHFFFAOYSA-N -1 3 295.701 3.034 20 30 CGEDHM [O-]c1ccc(C=NNc2cccc(F)n2)cc1Cl ZINC000795009496 629622357 /nfs/dbraw/zinc/62/23/57/629622357.db2.gz BAZZVFPUFJZMQV-UHFFFAOYSA-N -1 3 265.675 3.026 20 30 CGEDHM COCCCON=C(C)c1ccc2ccccc2c1[O-] ZINC000795055359 629629454 /nfs/dbraw/zinc/62/94/54/629629454.db2.gz LBTSDGKDDKQKHO-UHFFFAOYSA-N -1 3 273.332 3.323 20 30 CGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C#N)[nH]2)s1 ZINC000797567469 629961176 /nfs/dbraw/zinc/96/11/76/629961176.db2.gz IQNORIVRIXGQCU-SNVBAGLBSA-N -1 3 298.371 3.130 20 30 CGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C2CC2)cn1 ZINC000865219045 630027996 /nfs/dbraw/zinc/02/79/96/630027996.db2.gz WRQSQNQVJTYJMV-DKBJHAQFSA-N -1 3 298.317 3.446 20 30 CGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccoc1C1CC1 ZINC000798816778 630099609 /nfs/dbraw/zinc/09/96/09/630099609.db2.gz OVMCTLBAFONCKC-CQSZACIVSA-N -1 3 294.310 3.118 20 30 CGEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000802032187 630374008 /nfs/dbraw/zinc/37/40/08/630374008.db2.gz BYWUUZCJAUEZKZ-GFCCVEGCSA-N -1 3 290.326 3.065 20 30 CGEDHM N#CC(=C([O-])C=Cc1ccc[nH]1)c1nccc2ccccc21 ZINC000802226270 630385053 /nfs/dbraw/zinc/38/50/53/630385053.db2.gz JUHZJSMRCZUYCZ-PTZVLDCSSA-N -1 3 287.322 3.453 20 30 CGEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1C[C@@H]1C(F)F ZINC000804598472 630541777 /nfs/dbraw/zinc/54/17/77/630541777.db2.gz NUSRPYKPDXUWJP-WMAMUGATSA-N -1 3 290.107 3.227 20 30 CGEDHM COc1ncccc1CC/N=C\c1cc(Cl)ccc1[O-] ZINC000811625986 631094082 /nfs/dbraw/zinc/09/40/82/631094082.db2.gz ZXBGQFUKPHMYLU-YVLHZVERSA-N -1 3 290.750 3.111 20 30 CGEDHM C=C(Cl)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823883588 633165114 /nfs/dbraw/zinc/16/51/14/633165114.db2.gz VAKCCPCIHANQTH-UHFFFAOYSA-N -1 3 287.175 3.365 20 30 CGEDHM C=C(Cl)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823883588 633165120 /nfs/dbraw/zinc/16/51/20/633165120.db2.gz VAKCCPCIHANQTH-UHFFFAOYSA-N -1 3 287.175 3.365 20 30 CGEDHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCC[C@@H]1C#N ZINC000870671847 633620217 /nfs/dbraw/zinc/62/02/17/633620217.db2.gz SVAMBJUIPWEIHB-CJNGLKHVSA-N -1 3 294.354 3.310 20 30 CGEDHM CC(C)(C)C#CC(=O)Nc1ccc(Br)cc1[O-] ZINC000837342093 634891981 /nfs/dbraw/zinc/89/19/81/634891981.db2.gz PIEKZZQTISACCY-UHFFFAOYSA-N -1 3 296.164 3.143 20 30 CGEDHM CCOC(=O)C(C)(C)ON=Cc1c([O-])cc(C)cc1Cl ZINC000841641521 635206162 /nfs/dbraw/zinc/20/61/62/635206162.db2.gz RVOQUJOPDYULNM-UHFFFAOYSA-N -1 3 299.754 3.046 20 30 CGEDHM CC(=NNC12CC(C1)C2)c1ccc(Br)cc1[O-] ZINC000842545346 635397679 /nfs/dbraw/zinc/39/76/79/635397679.db2.gz CKAGQHUWPAECAZ-UHFFFAOYSA-N -1 3 295.180 3.021 20 30 CGEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000846536989 636195141 /nfs/dbraw/zinc/19/51/41/636195141.db2.gz FHBYXBATOKLIQA-ZDUSSCGKSA-N -1 3 261.365 3.367 20 30 CGEDHM C=C(C)CO[N-]C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000846538050 636195174 /nfs/dbraw/zinc/19/51/74/636195174.db2.gz RQLVAOJCGYICTF-UHFFFAOYSA-N -1 3 272.348 3.033 20 30 CGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(Cl)cc1Cl ZINC000846540695 636196147 /nfs/dbraw/zinc/19/61/47/636196147.db2.gz HBOIBBPUJFODDD-MRVPVSSYSA-N -1 3 274.147 3.158 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000846547064 636199135 /nfs/dbraw/zinc/19/91/35/636199135.db2.gz AVFPCUIYGAWGIO-JTQLQIEISA-N -1 3 287.281 3.260 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1ccc(C)cc1Cl ZINC000846547387 636199422 /nfs/dbraw/zinc/19/94/22/636199422.db2.gz LATQPWHKCLYUOQ-LBPRGKRZSA-N -1 3 297.782 3.430 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccc(C(C)C)cc1 ZINC000846551750 636201003 /nfs/dbraw/zinc/20/10/03/636201003.db2.gz WREVFFSTMVYFAT-ZDUSSCGKSA-N -1 3 277.364 3.201 20 30 CGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ccccc1Cl ZINC000846552187 636201124 /nfs/dbraw/zinc/20/11/24/636201124.db2.gz CDJDRAPULVSSHI-NSHDSACASA-N -1 3 267.756 3.285 20 30 CGEDHM C=CCOCCC/N=C/c1cc(Cl)ccc1[O-] ZINC000849172681 636766512 /nfs/dbraw/zinc/76/65/12/636766512.db2.gz XUIUJEIJFIDKLA-XNTDXEJSSA-N -1 3 253.729 3.057 20 30 CGEDHM C=CCCO[N-]C(=O)CCSc1ccc(Cl)cc1 ZINC000856027851 638285853 /nfs/dbraw/zinc/28/58/53/638285853.db2.gz CTYXCRMMHCZOMB-UHFFFAOYSA-N -1 3 285.796 3.446 20 30 CGEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000856032180 638288071 /nfs/dbraw/zinc/28/80/71/638288071.db2.gz JKTWCQQTIIQZQS-CYBMUJFWSA-N -1 3 261.365 3.367 20 30 CGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)o2)cc1 ZINC000193448716 640459417 /nfs/dbraw/zinc/45/94/17/640459417.db2.gz YAXUYUOZCKCQRQ-CQSZACIVSA-N -1 3 296.326 3.112 20 30 CGEDHM C=C[C@@](C)(O)CNc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001252566328 806069788 /nfs/dbraw/zinc/06/97/88/806069788.db2.gz FKJODFPHCFHDSQ-GFCCVEGCSA-N -1 3 276.163 3.356 20 30 CGEDHM C#Cc1ccc(-c2cn(-c3ccc(Cl)cc3[O-])nn2)cc1 ZINC001254165172 806356438 /nfs/dbraw/zinc/35/64/38/806356438.db2.gz OTTXIZWJJUXXEG-UHFFFAOYSA-N -1 3 295.729 3.275 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001161826726 806465971 /nfs/dbraw/zinc/46/59/71/806465971.db2.gz KTCFQEYFFUYDMX-SIMOQEFBSA-N -1 3 251.370 3.077 20 30 CGEDHM CCCCN([O-])C(=O)c1nc(-c2ccccc2)oc1C ZINC001161827191 806467301 /nfs/dbraw/zinc/46/73/01/806467301.db2.gz XFPIPDXSUBUYIZ-UHFFFAOYSA-N -1 3 274.320 3.282 20 30 CGEDHM Cc1cnc(F)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001243786283 803004562 /nfs/dbraw/zinc/00/45/62/803004562.db2.gz FAHXUEQDWBGLOT-JXAWBTAJSA-N -1 3 256.280 3.321 20 30 CGEDHM [O-]/N=C/c1ccc(-c2cccc3c2CCN3)cc1F ZINC001243856266 803054207 /nfs/dbraw/zinc/05/42/07/803054207.db2.gz HDJZWBFQQMSSKV-GIJQJNRQSA-N -1 3 256.280 3.269 20 30 CGEDHM COc1cc([O-])ccc1-c1ncc2c(c1C#N)CCCC2 ZINC001243985237 803122080 /nfs/dbraw/zinc/12/20/80/803122080.db2.gz YMRRUSFVNXFAJM-UHFFFAOYSA-N -1 3 280.327 3.213 20 30 CGEDHM Cc1c(C#N)c(-c2ccc([O-])c(CO)c2)nc2ccccc12 ZINC001244774700 803526999 /nfs/dbraw/zinc/52/69/99/803526999.db2.gz LFZBAUBRBXDNRO-UHFFFAOYSA-N -1 3 290.322 3.280 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001137774788 803771374 /nfs/dbraw/zinc/77/13/74/803771374.db2.gz KCUORMUPHMQQAU-JXMROGBWSA-N -1 3 299.301 3.061 20 30 CGEDHM N#Cc1ncc(Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001212005878 814965972 /nfs/dbraw/zinc/96/59/72/814965972.db2.gz YPJIXPUXOJUSRN-UHFFFAOYSA-N -1 3 281.649 3.334 20 30 CGEDHM C[C@@H](C#N)c1cccc(C(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001148618801 805200468 /nfs/dbraw/zinc/20/04/68/805200468.db2.gz QZUVKIJMSLPXMI-NSHDSACASA-N -1 3 291.310 3.143 20 30 CGEDHM N#Cc1cnc(Nc2cccc([O-])c2F)c(Cl)c1 ZINC001212546120 815060869 /nfs/dbraw/zinc/06/08/69/815060869.db2.gz CNDDAWKEFNXBCB-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM C[C@H](Nc1cccc(/C=N/[O-])c1)c1ccc(F)cn1 ZINC001167485991 807198028 /nfs/dbraw/zinc/19/80/28/807198028.db2.gz IVPAKDJYYOMQJL-JVDJPWEPSA-N -1 3 259.284 3.202 20 30 CGEDHM C=CCS(=O)(=O)[N-]c1ccccc1OC1CCCCC1 ZINC001259930893 807693672 /nfs/dbraw/zinc/69/36/72/807693672.db2.gz JPNJIQNSZAUPCP-UHFFFAOYSA-N -1 3 295.404 3.326 20 30 CGEDHM COc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1C#N ZINC001174744603 809149793 /nfs/dbraw/zinc/14/97/93/809149793.db2.gz GQWQHAWDRLYNCD-UHFFFAOYSA-N -1 3 296.326 3.142 20 30 CGEDHM N#Cc1cn(-c2cc([O-])cc(Cl)c2)c2ccc(N)cc12 ZINC001176625739 809734175 /nfs/dbraw/zinc/73/41/75/809734175.db2.gz JSXJQIIBWNZNJQ-UHFFFAOYSA-N -1 3 283.718 3.443 20 30 CGEDHM C[C@H](C(=O)Nc1ccc(F)c([O-])c1)c1ccc(C#N)cc1 ZINC001182800027 810125342 /nfs/dbraw/zinc/12/53/42/810125342.db2.gz YJFAZXOHFQEZFU-JTQLQIEISA-N -1 3 284.290 3.145 20 30 CGEDHM CCCCCCN([O-])C(=O)c1cn2c(cccc2C)n1 ZINC001184305724 810189928 /nfs/dbraw/zinc/18/99/28/810189928.db2.gz OJDRJYRDCAUWRV-UHFFFAOYSA-N -1 3 275.352 3.054 20 30 CGEDHM CCCCCCC[C@@H](C)[N-]S(=O)(=O)c1cnoc1C ZINC001187420439 810399115 /nfs/dbraw/zinc/39/91/15/810399115.db2.gz DJPKJJDLZAPZNP-LLVKDONJSA-N -1 3 288.413 3.010 20 30 CGEDHM CCc1cccc(C)c1NC(=O)[N-]c1onc(C)c1C#N ZINC001189940771 810594824 /nfs/dbraw/zinc/59/48/24/810594824.db2.gz YMBGRWDSZVUDHS-UHFFFAOYSA-N -1 3 284.319 3.370 20 30 CGEDHM N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)o2)ccc1[O-] ZINC001194418747 811072853 /nfs/dbraw/zinc/07/28/53/811072853.db2.gz YEXJGYAGLDIHTI-UHFFFAOYSA-N -1 3 296.204 3.128 20 30 CGEDHM CCCCCCCCOC(=O)Nc1cnc[n-]c1=O ZINC001194735016 811120131 /nfs/dbraw/zinc/12/01/31/811120131.db2.gz DHCKQURHIFBYAO-UHFFFAOYSA-N -1 3 267.329 3.091 20 30 CGEDHM Cc1noc([N-]c2cnn(-c3ccccc3)c2C)c1C#N ZINC001201362847 811820919 /nfs/dbraw/zinc/82/09/19/811820919.db2.gz PMDZUCBNRCWZOP-UHFFFAOYSA-N -1 3 279.303 3.092 20 30 CGEDHM N#Cc1ccc([N-]c2cc(-c3ccccn3)no2)c(F)c1 ZINC001201560728 811903869 /nfs/dbraw/zinc/90/38/69/811903869.db2.gz MUVYMBQJQKHSBA-UHFFFAOYSA-N -1 3 280.262 3.491 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccccc2Cl)o1 ZINC001202053310 812005442 /nfs/dbraw/zinc/00/54/42/812005442.db2.gz QPXDLQOHCLTFNB-UHFFFAOYSA-N -1 3 276.683 3.152 20 30 CGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc(Cl)cc2)o1 ZINC001202366447 812078035 /nfs/dbraw/zinc/07/80/35/812078035.db2.gz DNRDOKWYKCNHJM-UHFFFAOYSA-N -1 3 276.683 3.152 20 30 CGEDHM Cc1coc([N-]c2c(F)ccc([N+](=O)[O-])c2F)c1C#N ZINC001215292290 815504613 /nfs/dbraw/zinc/50/46/13/815504613.db2.gz QVLCJMIGOCKDEW-UHFFFAOYSA-N -1 3 279.202 3.390 20 30 CGEDHM COc1ccc(NC(=O)Nc2ccc([O-])cc2C#N)c(C)c1 ZINC001202728390 812158529 /nfs/dbraw/zinc/15/85/29/812158529.db2.gz CUAKJZODHDEVJC-UHFFFAOYSA-N -1 3 297.314 3.225 20 30 CGEDHM N#Cc1ccc(Nc2cc(F)cc(F)c2[O-])cc1F ZINC001204074983 812542315 /nfs/dbraw/zinc/54/23/15/812542315.db2.gz YKNJGRVQXKFLJH-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM N#Cc1ccc(-c2ccc([O-])cc2C(F)(F)F)cn1 ZINC001205087755 812856018 /nfs/dbraw/zinc/85/60/18/812856018.db2.gz VDUJJYLCBCHPLM-UHFFFAOYSA-N -1 3 264.206 3.345 20 30 CGEDHM N#Cc1ncnc2ccc(-c3ccc([O-])cc3F)cc12 ZINC001206065024 813188264 /nfs/dbraw/zinc/18/82/64/813188264.db2.gz YZSRSGIEDAAANN-UHFFFAOYSA-N -1 3 265.247 3.013 20 30 CGEDHM COc1cc(C#N)cc(Nc2cc([O-])cc(F)c2)c1 ZINC001208198235 813740515 /nfs/dbraw/zinc/74/05/15/813740515.db2.gz AUMGHAXKUMKNNT-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM Cc1ccc(CO)cc1-c1cc(/C=N/[O-])ccc1F ZINC001242669160 823092197 /nfs/dbraw/zinc/09/21/97/823092197.db2.gz IOLIWXZSNACRCB-CAOOACKPSA-N -1 3 259.280 3.102 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cnc(C(F)(F)F)nc2)cc1 ZINC001242663029 823087448 /nfs/dbraw/zinc/08/74/48/823087448.db2.gz FGRGQCPMRVAFRL-UFWORHAWSA-N -1 3 281.237 3.361 20 30 CGEDHM [O-]/N=C1/CCc2cc(-c3cnc(C(F)(F)F)nc3)ccc21 ZINC001242665012 823088898 /nfs/dbraw/zinc/08/88/98/823088898.db2.gz WBRIYLXUNMHPBG-NDENLUEZSA-N -1 3 293.248 3.287 20 30 CGEDHM N#Cc1cc(F)cc(F)c1Nc1ccc(F)cc1[O-] ZINC001210019996 814248440 /nfs/dbraw/zinc/24/84/40/814248440.db2.gz ZISCEVFAHZYSHJ-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1cc(C#N)cc(C#N)c1Nc1cccc(F)c1[O-] ZINC001210199535 814335927 /nfs/dbraw/zinc/33/59/27/814335927.db2.gz HOSWHWBFADMIIS-UHFFFAOYSA-N -1 3 267.263 3.327 20 30 CGEDHM CC(=O)c1ccc(Nc2cccc(F)c2[O-])c(C#N)c1 ZINC001210200687 814336013 /nfs/dbraw/zinc/33/60/13/814336013.db2.gz CZYRDXDTBDPDBX-UHFFFAOYSA-N -1 3 270.263 3.349 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccc(OC(F)(F)F)nc2)c1 ZINC001242778494 823130580 /nfs/dbraw/zinc/13/05/80/823130580.db2.gz HUNNDIBNBVAOOE-CNHKJKLMSA-N -1 3 282.221 3.455 20 30 CGEDHM Cc1cc(Nc2ccc(C#N)cc2O)cc([O-])c1F ZINC001216084233 815688117 /nfs/dbraw/zinc/68/81/17/815688117.db2.gz ZSKCGOLYYFQORR-UHFFFAOYSA-N -1 3 258.252 3.161 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001222667247 816495487 /nfs/dbraw/zinc/49/54/87/816495487.db2.gz WGNCSVTXKMINRA-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM Cc1cc(C#N)cc(C)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001222667247 816495489 /nfs/dbraw/zinc/49/54/89/816495489.db2.gz WGNCSVTXKMINRA-UHFFFAOYSA-N -1 3 275.315 3.022 20 30 CGEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664075 817131501 /nfs/dbraw/zinc/13/15/01/817131501.db2.gz ITMAVNGWQCAXEA-NTZNESFSSA-N -1 3 292.335 3.455 20 30 CGEDHM N#C[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1F ZINC001226334895 817330647 /nfs/dbraw/zinc/33/06/47/817330647.db2.gz AEINFKJMNZOSSE-CYBMUJFWSA-N -1 3 288.234 3.083 20 30 CGEDHM C=CC[C@@H](Oc1ccnc(=S)[n-]1)c1ccccc1 ZINC001226938802 817510133 /nfs/dbraw/zinc/51/01/33/817510133.db2.gz CHYKVNNXIRRVLA-GFCCVEGCSA-N -1 3 258.346 3.462 20 30 CGEDHM C#C[C@@H](CC)Oc1c([O-])cc(Br)cc1F ZINC001227587450 817677228 /nfs/dbraw/zinc/67/72/28/817677228.db2.gz IQTCKWLYMZHGMU-QMMMGPOBSA-N -1 3 273.101 3.084 20 30 CGEDHM C=CC[C@@H](CCCC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227615955 817682610 /nfs/dbraw/zinc/68/26/10/817682610.db2.gz HUQTZNKMYUIHHI-VIFPVBQESA-N -1 3 278.381 3.155 20 30 CGEDHM C=C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1 ZINC001228005816 817781614 /nfs/dbraw/zinc/78/16/14/817781614.db2.gz VMLDUUNAKBJHRS-CYBMUJFWSA-N -1 3 279.299 3.037 20 30 CGEDHM COCOc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001243210585 823293178 /nfs/dbraw/zinc/29/31/78/823293178.db2.gz GVWISTSYWOCHOB-UHFFFAOYSA-N -1 3 257.289 3.144 20 30 CGEDHM C=C(C)C[C@H](Oc1nnc(-c2cccnc2)[n-]1)C(=C)C ZINC001228698339 817977146 /nfs/dbraw/zinc/97/71/46/817977146.db2.gz PIGSJHIOLULUCJ-ZDUSSCGKSA-N -1 3 270.336 3.156 20 30 CGEDHM C=C(C)C[C@H](Oc1nc(-c2cccnc2)n[n-]1)C(=C)C ZINC001228698339 817977150 /nfs/dbraw/zinc/97/71/50/817977150.db2.gz PIGSJHIOLULUCJ-ZDUSSCGKSA-N -1 3 270.336 3.156 20 30 CGEDHM C=C(C)C[C@H](Oc1n[n-]c(-c2cccnc2)n1)C(=C)C ZINC001228698339 817977153 /nfs/dbraw/zinc/97/71/53/817977153.db2.gz PIGSJHIOLULUCJ-ZDUSSCGKSA-N -1 3 270.336 3.156 20 30 CGEDHM CCCCN(CC#N)Cc1ccc(OC)c([O-])c1Cl ZINC001233401150 818612580 /nfs/dbraw/zinc/61/25/80/818612580.db2.gz NULYZKYQJOMPOS-UHFFFAOYSA-N -1 3 282.771 3.180 20 30 CGEDHM N#CC=C([O-])c1ccccc1O[C@H]1CCc2cccnc21 ZINC001233524899 818633523 /nfs/dbraw/zinc/63/35/23/818633523.db2.gz RKONNKHCJXNKQZ-INIZCTEOSA-N -1 3 278.311 3.244 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001233806727 818709383 /nfs/dbraw/zinc/70/93/83/818709383.db2.gz GRCYSGNFLXKPHF-URGLQEHBSA-N -1 3 261.321 3.071 20 30 CGEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1cccnc1Cl ZINC001234142074 818789952 /nfs/dbraw/zinc/78/99/52/818789952.db2.gz SRABSGIZNJMBII-VIFPVBQESA-N -1 3 274.707 3.452 20 30 CGEDHM COc1ccc(OC)c([C@@H](C)Oc2cc([O-])cc(C#N)c2)c1 ZINC001234143191 818789969 /nfs/dbraw/zinc/78/99/69/818789969.db2.gz ARXABEXGJBVJJV-LLVKDONJSA-N -1 3 299.326 3.421 20 30 CGEDHM C[C@@H](COCc1ccccc1)Oc1cc([O-])cc(C#N)c1 ZINC001234144873 818791112 /nfs/dbraw/zinc/79/11/12/818791112.db2.gz WSDIYDGUOUCWSL-ZDUSSCGKSA-N -1 3 283.327 3.248 20 30 CGEDHM C=C(C)C(=O)OC[C@@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234448391 818857129 /nfs/dbraw/zinc/85/71/29/818857129.db2.gz RRMJLVUKEMQDGP-MRVPVSSYSA-N -1 3 288.702 3.071 20 30 CGEDHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1C#N ZINC001234447890 818858009 /nfs/dbraw/zinc/85/80/09/818858009.db2.gz QPBOLZZZDZNILK-JTQLQIEISA-N -1 3 279.299 3.280 20 30 CGEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nc2ccsc2[n-]1 ZINC001234850968 818933352 /nfs/dbraw/zinc/93/33/52/818933352.db2.gz CPSABZKXRGVRBT-VIFPVBQESA-N -1 3 294.376 3.290 20 30 CGEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nc2sccc2[n-]1 ZINC001234850968 818933354 /nfs/dbraw/zinc/93/33/54/818933354.db2.gz CPSABZKXRGVRBT-VIFPVBQESA-N -1 3 294.376 3.290 20 30 CGEDHM COC(=O)c1ccc(-c2c(F)ccc(C)c2[O-])cc1C#N ZINC001236403784 819452063 /nfs/dbraw/zinc/45/20/63/819452063.db2.gz VLABQSLFTZDOPT-UHFFFAOYSA-N -1 3 285.274 3.165 20 30 CGEDHM COc1ccc(-c2cc(C=N[O-])ccc2F)c2c[nH]nc21 ZINC001236468665 819489429 /nfs/dbraw/zinc/48/94/29/819489429.db2.gz LVTXKRWPYRWHDX-CNHKJKLMSA-N -1 3 285.278 3.186 20 30 CGEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(F)c1[O-] ZINC001237622235 819788492 /nfs/dbraw/zinc/78/84/92/819788492.db2.gz OWSHWUJQTILIDC-CGJHYDBRSA-N -1 3 294.757 3.451 20 30 CGEDHM N#CCC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237800117 819844634 /nfs/dbraw/zinc/84/46/34/819844634.db2.gz XHOMOVOOMZBHGN-UHFFFAOYSA-N -1 3 282.746 3.310 20 30 CGEDHM CCc1nc(OC)ccc1-c1cccc(/C=N/[O-])c1 ZINC001239777579 820596218 /nfs/dbraw/zinc/59/62/18/820596218.db2.gz KBFCWAOMBJAUQO-MHWRWJLKSA-N -1 3 256.305 3.128 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccc3cncnc3c2)cc1F ZINC001239995386 820763259 /nfs/dbraw/zinc/76/32/59/820763259.db2.gz UWGXCBNYOGJQAW-UFWORHAWSA-N -1 3 267.263 3.244 20 30 CGEDHM Cc1ccc(-c2ncnc3cc(C#N)ccc32)c([O-])c1 ZINC001241030095 821505241 /nfs/dbraw/zinc/50/52/41/821505241.db2.gz DBHQSZZGNZHMHZ-UHFFFAOYSA-N -1 3 261.284 3.183 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2ccccc2[S@@](C)=O)cc1 ZINC001241343309 821747599 /nfs/dbraw/zinc/74/75/99/821747599.db2.gz DHQPYRWMTFLMAP-KZIRBZLESA-N -1 3 273.357 3.289 20 30 CGEDHM [O-]/N=C/c1ccc(-c2ccc3nccnc3c2)cc1F ZINC001241492587 821895530 /nfs/dbraw/zinc/89/55/30/821895530.db2.gz DRPAZOILWSAADT-DJKKODMXSA-N -1 3 267.263 3.244 20 30 CGEDHM CCOC(=O)CCc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242564687 823035703 /nfs/dbraw/zinc/03/57/03/823035703.db2.gz NKRYGENZJSLRJX-UHFFFAOYSA-N -1 3 295.338 3.427 20 30 CGEDHM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001344073742 936525235 /nfs/dbraw/zinc/52/52/35/936525235.db2.gz XUCSHIVNISRWHB-CYBMUJFWSA-N -1 3 295.317 3.292 20 30 CGEDHM N#CCOc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212600157 928118379 /nfs/dbraw/zinc/11/83/79/928118379.db2.gz FRJARAZROCZRSA-UHFFFAOYSA-N -1 3 276.242 3.316 20 30 CGEDHM C=CCCO[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001454241115 937407241 /nfs/dbraw/zinc/40/72/41/937407241.db2.gz WQTAMACAIQXGPJ-UHFFFAOYSA-N -1 3 298.386 3.261 20 30 CGEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)n1cccc1 ZINC001457992585 937448493 /nfs/dbraw/zinc/44/84/93/937448493.db2.gz IUBGCGPQENUEJN-LLVKDONJSA-N -1 3 278.739 3.121 20 30 CGEDHM CCCCN([O-])C(=O)C[C@H](C)c1ccc(F)cc1F ZINC001161832548 931986177 /nfs/dbraw/zinc/98/61/77/931986177.db2.gz PQRJZBNSBATBPD-JTQLQIEISA-N -1 3 271.307 3.476 20 30 CGEDHM C#C[C@@H](CC(C)C)Oc1cc(O)cc([O-])c1Br ZINC001229096354 932094101 /nfs/dbraw/zinc/09/41/01/932094101.db2.gz CBWAHFBQJWMWHZ-JTQLQIEISA-N -1 3 299.164 3.287 20 30 CGEDHM N#C[C@H](Oc1[n-]c(=O)nc2cc(F)ccc21)c1ccccc1 ZINC001230885248 932636541 /nfs/dbraw/zinc/63/65/41/932636541.db2.gz VVIFBSBPMFHUGW-AWEZNQCLSA-N -1 3 295.273 3.118 20 30 CGEDHM C=C[C@@H](CCCCC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074570 932672834 /nfs/dbraw/zinc/67/28/34/932672834.db2.gz VZJREEHSXCEZTH-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM CCCCCCN([O-])C(=O)Cc1c(F)cccc1F ZINC001306896666 932763472 /nfs/dbraw/zinc/76/34/72/932763472.db2.gz HTYQYDWPNDNDKW-UHFFFAOYSA-N -1 3 271.307 3.305 20 30 CGEDHM C/C=C(\CC)C(=O)N([O-])Cc1ccccc1Cl ZINC001306894729 932891034 /nfs/dbraw/zinc/89/10/34/932891034.db2.gz PKFAMHOQBITRCZ-XCVCLJGOSA-N -1 3 253.729 3.414 20 30 CGEDHM C[C@@]1(C(=O)N([O-])CCCCc2ccccc2)CC1(F)F ZINC001306896186 932891167 /nfs/dbraw/zinc/89/11/67/932891167.db2.gz NLQVDHINFCWQQO-AWEZNQCLSA-N -1 3 283.318 3.272 20 30 CGEDHM CCCCN([O-])C(=O)Cc1cccc2ccccc21 ZINC001306897334 932891511 /nfs/dbraw/zinc/89/15/11/932891511.db2.gz ITJHZUKSWBTWLT-UHFFFAOYSA-N -1 3 257.333 3.400 20 30 CGEDHM CCCCCCN([O-])C(=O)c1sc(COC)nc1C ZINC001306897022 932892589 /nfs/dbraw/zinc/89/25/89/932892589.db2.gz WIALALCSOHLEBS-UHFFFAOYSA-N -1 3 286.397 3.010 20 30 CGEDHM CCCCN([O-])C(=O)c1cc(C)n(C(CC)CC)n1 ZINC001306897717 932892430 /nfs/dbraw/zinc/89/24/30/932892430.db2.gz ZGBBDEKNZKSLNG-UHFFFAOYSA-N -1 3 267.373 3.184 20 30 CGEDHM CCCCN([O-])C(=O)c1c(C)onc1-c1cccc(F)c1 ZINC001306897241 932893479 /nfs/dbraw/zinc/89/34/79/932893479.db2.gz FIOZYEHHEREHBS-UHFFFAOYSA-N -1 3 292.310 3.421 20 30 CGEDHM C=CCCC[C@H](C)NC(=O)c1ccc(CC)cc1[O-] ZINC001546145974 937689217 /nfs/dbraw/zinc/68/92/17/937689217.db2.gz ZYZSVSHLZRTSGF-LBPRGKRZSA-N -1 3 261.365 3.429 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@](C)(OC)c1ccccc1F ZINC001472621278 937778527 /nfs/dbraw/zinc/77/85/27/937778527.db2.gz NUVFBXHGZVFCHS-INIZCTEOSA-N -1 3 297.370 3.485 20 30 CGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC001556994377 938207209 /nfs/dbraw/zinc/20/72/09/938207209.db2.gz AOTMQCFVQDNOBW-HNNXBMFYSA-N -1 3 281.355 3.309 20 30 CGEDHM N#Cc1cc(NC(=O)c2cccc([O-])c2)ccc1C1CC1 ZINC001558118827 938213462 /nfs/dbraw/zinc/21/34/62/938213462.db2.gz QREMLNXHCPWLSI-UHFFFAOYSA-N -1 3 278.311 3.394 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](F)c1ccccc1 ZINC001559034894 938219271 /nfs/dbraw/zinc/21/92/71/938219271.db2.gz UCHKBBVKWOUURS-ZDUSSCGKSA-N -1 3 253.317 3.495 20 30 CGEDHM CC[C@@H]1CCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001559037250 938219288 /nfs/dbraw/zinc/21/92/88/938219288.db2.gz OZYFDIWRERKMNN-OCCSQVGLSA-N -1 3 265.328 3.370 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001559035504 938219320 /nfs/dbraw/zinc/21/93/20/938219320.db2.gz UCPXEMASCDHKLR-CYBMUJFWSA-N -1 3 295.354 3.490 20 30 CGEDHM CCCCN([O-])C(=O)Cc1c[nH]c2c1cccc2C ZINC001559035062 938219355 /nfs/dbraw/zinc/21/93/55/938219355.db2.gz ANYHGTHFCLMKGV-UHFFFAOYSA-N -1 3 260.337 3.037 20 30 CGEDHM N#Cc1nc(NCc2c([O-])cccc2F)ccc1Cl ZINC001559284469 938224424 /nfs/dbraw/zinc/22/44/24/938224424.db2.gz DGQOAYIDYOYXLQ-UHFFFAOYSA-N -1 3 277.686 3.063 20 30 CGEDHM C#C[C@H](C)N(C)Cc1c2ccccc2sc1C(=O)[O-] ZINC001602670411 960548474 /nfs/dbraw/zinc/54/84/74/960548474.db2.gz VGIPTILQBNSAGK-JTQLQIEISA-N -1 3 273.357 3.053 20 30 CGEDHM C=C[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001566390862 960928332 /nfs/dbraw/zinc/92/83/32/960928332.db2.gz REGUOOIMMVAKHM-ZDUSSCGKSA-N -1 3 281.355 3.287 20 30 CGEDHM C#CC[C@H](NC(=O)c1cccc(CC)c1[O-])c1ccccc1 ZINC001566495070 960943740 /nfs/dbraw/zinc/94/37/40/960943740.db2.gz WQUCNMXWHZTASR-KRWDZBQOSA-N -1 3 293.366 3.449 20 30 CGEDHM C=CC[C@@H]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573329800 962243149 /nfs/dbraw/zinc/24/31/49/962243149.db2.gz PPUPAFUPIJVYSH-BXUZGUMPSA-N -1 3 269.352 3.023 20 30 CGEDHM C=CC[C@@H]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573329800 962243162 /nfs/dbraw/zinc/24/31/62/962243162.db2.gz PPUPAFUPIJVYSH-BXUZGUMPSA-N -1 3 269.352 3.023 20 30 CGEDHM C=CC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccncc1 ZINC001588458021 963279725 /nfs/dbraw/zinc/27/97/25/963279725.db2.gz OWOFTZZUWIXFDQ-ZDUSSCGKSA-N -1 3 288.372 3.248 20 30 CGEDHM C=C[C@H](N[C@H](Cc1ccccc1)c1ccccc1F)C(=O)[O-] ZINC001588697940 963307501 /nfs/dbraw/zinc/30/75/01/963307501.db2.gz XCMCMIIOVZDJKZ-DLBZAZTESA-N -1 3 299.345 3.338 20 30 CGEDHM C[C@@H](NCc1ccsc1C(=O)[O-])c1cccc(C#N)c1 ZINC001593310285 994770510 /nfs/dbraw/zinc/77/05/10/994770510.db2.gz HAJIGWICQLIQCP-SNVBAGLBSA-N -1 3 286.356 3.169 20 30 CGEDHM Cc1ncc(CO)c(/C=N/c2cccc(C(C)C)c2)c1[O-] ZINC000005111057 344861253 /nfs/dbraw/zinc/86/12/53/344861253.db2.gz GLUYXOKVXNIBQF-DJKKODMXSA-N -1 3 284.359 3.462 20 30 CGEDHM N#Cc1c(Cl)nsc1NCc1ccc([O-])c(F)c1 ZINC000078020204 345588765 /nfs/dbraw/zinc/58/87/65/345588765.db2.gz NVIKLDVFAYNTCF-UHFFFAOYSA-N -1 3 283.715 3.125 20 30 CGEDHM N#Cc1nc(NCc2ccc([O-])c(F)c2)ccc1Cl ZINC000078020038 345588920 /nfs/dbraw/zinc/58/89/20/345588920.db2.gz FMNLJCCDNFPLTA-UHFFFAOYSA-N -1 3 277.686 3.063 20 30 CGEDHM CCc1cccc(C(=O)N(CCC#N)CC(C)(C)C)c1[O-] ZINC000094122569 345895244 /nfs/dbraw/zinc/89/52/44/345895244.db2.gz MOWFLWSVEGCBRQ-UHFFFAOYSA-N -1 3 288.391 3.357 20 30 CGEDHM N#CCCCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000588654959 346764960 /nfs/dbraw/zinc/76/49/60/346764960.db2.gz FFRXKPCJTAUANB-UHFFFAOYSA-N -1 3 266.728 3.458 20 30 CGEDHM N#CC[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000597907499 347603383 /nfs/dbraw/zinc/60/33/83/347603383.db2.gz BYRDRSUHLWVGDA-ZDUSSCGKSA-N -1 3 298.386 3.037 20 30 CGEDHM N#Cc1ccc(C(=O)Nc2ccc([O-])c3ccccc23)cn1 ZINC000609679989 348350900 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290.342 3.228 20 30 CGEDHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328657182 374375886 /nfs/dbraw/zinc/37/58/86/374375886.db2.gz OMXWITPQDZQYQX-NXEZZACHSA-N -1 3 290.342 3.228 20 30 CGEDHM CCC1CCC(CNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329921931 374439907 /nfs/dbraw/zinc/43/99/07/374439907.db2.gz SWYLOWCRLGADFS-UHFFFAOYSA-N -1 3 268.382 3.370 20 30 CGEDHM CN(Cc1cccc(C#N)c1)Cc1c(F)ccc([O-])c1F ZINC000507194877 375686509 /nfs/dbraw/zinc/68/65/09/375686509.db2.gz YSNXQWFIHSWRQU-UHFFFAOYSA-N -1 3 288.297 3.174 20 30 CGEDHM C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000336269418 375768702 /nfs/dbraw/zinc/76/87/02/375768702.db2.gz VOGGARGLAAILAR-MGPLVRAMSA-N -1 3 272.348 3.178 20 30 CGEDHM Cc1occc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000345379358 378272223 /nfs/dbraw/zinc/27/22/23/378272223.db2.gz QKBBWQPRYWKADM-LBPRGKRZSA-N -1 3 279.299 3.263 20 30 CGEDHM C=CC[C@@H](C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000270407674 378347712 /nfs/dbraw/zinc/34/77/12/378347712.db2.gz 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419210779 /nfs/dbraw/zinc/21/07/79/419210779.db2.gz QBYFASAEWSVCHM-LBPRGKRZSA-N -1 3 263.337 3.074 20 30 CGEDHM C=CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000656760664 419211108 /nfs/dbraw/zinc/21/11/08/419211108.db2.gz XEHCDBQVYPPDEI-LBPRGKRZSA-N -1 3 277.339 3.312 20 30 CGEDHM CCc1ccc([O-])c(C(=O)N(CCC#N)CCC(C)C)c1 ZINC000354594199 262276637 /nfs/dbraw/zinc/27/66/37/262276637.db2.gz FFEDUJPSEMXLMV-UHFFFAOYSA-N -1 3 288.391 3.357 20 30 CGEDHM C[C@@H](/N=C/c1c([O-])ccc2ccccc21)[C@H]1CCOC1 ZINC000280967399 263065330 /nfs/dbraw/zinc/06/53/30/263065330.db2.gz IWLDKTVCPQLFGA-DFGDDMDISA-N -1 3 269.344 3.389 20 30 CGEDHM CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000285853570 263096127 /nfs/dbraw/zinc/09/61/27/263096127.db2.gz UOMAWCBSAYIOLE-ZDUSSCGKSA-N -1 3 266.728 3.232 20 30 CGEDHM CCCOc1ccc(/C=N/C[C@](C)(OC)C2CC2)c([O-])c1 ZINC000290925119 263119092 /nfs/dbraw/zinc/11/90/92/263119092.db2.gz IDXDQRMRFXIILO-SZLZGVTBSA-N -1 3 291.391 3.415 20 30 CGEDHM C=CC[C@H]1N(C(=O)c2csc(=O)[n-]2)CCCC1(C)C ZINC000336543549 276911431 /nfs/dbraw/zinc/91/14/31/276911431.db2.gz PLTPQSFTKKPQPZ-LLVKDONJSA-N -1 3 280.393 3.056 20 30 CGEDHM Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000336259323 280182525 /nfs/dbraw/zinc/18/25/25/280182525.db2.gz VYVTYSYSNFRDLW-JTQLQIEISA-N -1 3 295.342 3.054 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N(CCC#N)CCC(C)C)c1 ZINC000271273752 328196063 /nfs/dbraw/zinc/19/60/63/328196063.db2.gz MUVXVYHVDYXECJ-UHFFFAOYSA-N -1 3 274.364 3.103 20 30 CGEDHM C=C[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000162890306 328485996 /nfs/dbraw/zinc/48/59/96/328485996.db2.gz PBMHDAIIMOMYIV-NSHDSACASA-N -1 3 287.281 3.347 20 30 CGEDHM C=C[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436820609 330686023 /nfs/dbraw/zinc/68/60/23/330686023.db2.gz HTJJRTBKRTVDHT-HNNXBMFYSA-N -1 3 285.387 3.452 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)c(C(C)C)n1 ZINC000453588196 331135054 /nfs/dbraw/zinc/13/50/54/331135054.db2.gz KWPCJINEAMPAKS-AWEZNQCLSA-N -1 3 279.343 3.399 20 30 CGEDHM COC(=O)Nc1ccc(CCN=Cc2ccccc2[O-])cc1 ZINC000491405075 332205716 /nfs/dbraw/zinc/20/57/16/332205716.db2.gz KQECCPSMSYIGFT-PDGQHHTCSA-N -1 3 298.342 3.232 20 30 CGEDHM CCCON=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000496166091 332540950 /nfs/dbraw/zinc/54/09/50/332540950.db2.gz IPZALRFGISNZRZ-UHFFFAOYSA-N -1 3 285.369 3.251 20 30 CGEDHM C=CCON=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000496829369 332561709 /nfs/dbraw/zinc/56/17/09/332561709.db2.gz RCCYBWWBMIPXIZ-UHFFFAOYSA-N -1 3 283.353 3.027 20 30 CGEDHM C=CCCS(=O)(=O)[N-]c1c(C)cccc1SC ZINC000185335594 333138871 /nfs/dbraw/zinc/13/88/71/333138871.db2.gz SEHKREYQDNOGDC-UHFFFAOYSA-N -1 3 271.407 3.035 20 30 CGEDHM CCc1ccc([O-])c(C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000523322214 333319255 /nfs/dbraw/zinc/31/92/55/333319255.db2.gz GYLBLXANMITMIG-UHFFFAOYSA-N -1 3 280.327 3.273 20 30 CGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000539384469 333668385 /nfs/dbraw/zinc/66/83/85/333668385.db2.gz IPEQMXHPRZKSLR-VIFPVBQESA-N -1 3 293.841 3.425 20 30 CGEDHM CCOc1c(F)cccc1C([O-])=C(C#N)c1ccccn1 ZINC000076824039 334089788 /nfs/dbraw/zinc/08/97/88/334089788.db2.gz WUSAARMKLXKQMK-LBPRGKRZSA-N -1 3 284.290 3.109 20 30 CGEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000355098238 528081193 /nfs/dbraw/zinc/08/11/93/528081193.db2.gz LQHNIFYAALPBLZ-ZDUSSCGKSA-N -1 3 265.316 3.090 20 30 CGEDHM Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1cccc([O-])c1 ZINC000728439352 571805785 /nfs/dbraw/zinc/80/57/85/571805785.db2.gz HRMLHNAEPMONLT-WAYWQWQTSA-N -1 3 297.141 3.329 20 30 CGEDHM CCO[C@@H]1C[C@@H](/N=C\c2c([O-])cccc2OC)C12CCC2 ZINC000741465365 572500703 /nfs/dbraw/zinc/50/07/03/572500703.db2.gz UUKQCQUKZNWPMM-YSRDQRMMSA-N -1 3 289.375 3.167 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CC[C@@H](SC)C1 ZINC000743043248 572635490 /nfs/dbraw/zinc/63/54/90/572635490.db2.gz ULALGMAUWRETTC-SCVIVROUSA-N -1 3 265.378 3.104 20 30 CGEDHM CCOc1ccc(/C=N\[C@@H]2CC[C@H](SC)C2)c([O-])c1 ZINC000743043547 572636180 /nfs/dbraw/zinc/63/61/80/572636180.db2.gz 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CGEDHM COc1ccc(-c2cc([O-])cc(F)c2)cc1CC#N ZINC001241267401 821686672 /nfs/dbraw/zinc/68/66/72/821686672.db2.gz UVBMQJQGVKCQJY-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM [O-]/N=C/c1cccc(-c2ccc(N3CCCC3)nc2)c1 ZINC001241378463 821779423 /nfs/dbraw/zinc/77/94/23/821779423.db2.gz QWMLGUIKWDCHOV-WOJGMQOQSA-N -1 3 267.332 3.157 20 30 CGEDHM [O-]N=Cc1ccc(-c2ccc3[nH]cnc3c2)cc1F ZINC001241703393 822084971 /nfs/dbraw/zinc/08/49/71/822084971.db2.gz HUENLXIIZQKGBK-CNHKJKLMSA-N -1 3 255.252 3.177 20 30 CGEDHM C/C(=N\[O-])c1ccc(-c2cccc3c2OCCO3)cc1 ZINC001242469459 823003175 /nfs/dbraw/zinc/00/31/75/823003175.db2.gz FKEVXRHZIPRIKP-GZTJUZNOSA-N -1 3 269.300 3.323 20 30 CGEDHM Cc1cc(C#N)ccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001242474089 823004800 /nfs/dbraw/zinc/00/48/00/823004800.db2.gz IBDIPBOPPVZOKH-GIJQJNRQSA-N -1 3 254.264 3.481 20 30 CGEDHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1ccc([O-])cc1F ZINC001446668732 937364468 /nfs/dbraw/zinc/36/44/68/937364468.db2.gz OIRQEJZZUZBYIP-UHFFFAOYSA-N -1 3 295.273 3.137 20 30 CGEDHM C[C@@H](C(=O)N([O-])CCCCc1ccccc1)C1CC1 ZINC001458007205 937448418 /nfs/dbraw/zinc/44/84/18/937448418.db2.gz FXRMHNPKACQCIE-CYBMUJFWSA-N -1 3 261.365 3.273 20 30 CGEDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001457995994 937448604 /nfs/dbraw/zinc/44/86/04/937448604.db2.gz XKAPPDAKJAURQC-MGAJPHDKSA-N -1 3 279.767 3.350 20 30 CGEDHM N#Cc1ccc(F)c([N-]C(=O)c2c(F)cc(F)cc2F)c1 ZINC001460790279 937545461 /nfs/dbraw/zinc/54/54/61/937545461.db2.gz ORGCTXPPNNOXJD-UHFFFAOYSA-N -1 3 294.207 3.367 20 30 CGEDHM C#C[C@H]1CCC[C@H]1Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229351558 932137318 /nfs/dbraw/zinc/13/73/18/932137318.db2.gz BPFZLLDWDHVFOL-VHSXEESVSA-N -1 3 290.413 3.469 20 30 CGEDHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC001464066047 937685857 /nfs/dbraw/zinc/68/58/57/937685857.db2.gz JDWNFFABGOYZJQ-GFCCVEGCSA-N -1 3 280.327 3.063 20 30 CGEDHM CCc1cccc(C(=O)Nc2ccc(OCC#N)cc2)c1[O-] ZINC001319829026 933939556 /nfs/dbraw/zinc/93/95/56/933939556.db2.gz 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Cc1cccc([O-])c1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000492337809 243928474 /nfs/dbraw/zinc/92/84/74/243928474.db2.gz AGOJRDSYDUHRFG-MDZDMXLPSA-N -1 3 278.311 3.224 20 30 CGEDHM Cc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)sc1C ZINC000053524251 369485541 /nfs/dbraw/zinc/48/55/41/369485541.db2.gz YCADZTDGKFNTPJ-UHFFFAOYSA-N -1 3 299.359 3.181 20 30 CGEDHM Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)sc1C ZINC000053524251 369485545 /nfs/dbraw/zinc/48/55/45/369485545.db2.gz YCADZTDGKFNTPJ-UHFFFAOYSA-N -1 3 299.359 3.181 20 30 CGEDHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)sc1C ZINC000053524251 369485549 /nfs/dbraw/zinc/48/55/49/369485549.db2.gz YCADZTDGKFNTPJ-UHFFFAOYSA-N -1 3 299.359 3.181 20 30 CGEDHM N#CC1(C(=O)Nc2cc(Cl)ccc2[O-])CCCC1 ZINC000129447540 370986885 /nfs/dbraw/zinc/98/68/85/370986885.db2.gz ATVQGSMYILHXIC-UHFFFAOYSA-N -1 3 264.712 3.068 20 30 CGEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000084085467 370010555 /nfs/dbraw/zinc/01/05/55/370010555.db2.gz YANGYHWZNRYXFY-UHFFFAOYSA-N -1 3 287.369 3.368 20 30 CGEDHM Cc1ccc(C[C@H](C)/N=C/c2ccc(O)c([O-])c2O)s1 ZINC000150936991 371551567 /nfs/dbraw/zinc/55/15/67/371551567.db2.gz LRYVORQRGFTEAL-VKPPLCHCSA-N -1 3 291.372 3.223 20 30 CGEDHM CC(C)c1nn(C)cc1[N-]c1nc(Cl)c(C#N)s1 ZINC000287548775 371670669 /nfs/dbraw/zinc/67/06/69/371670669.db2.gz BYBFFDUZNRJNKF-UHFFFAOYSA-N -1 3 281.772 3.269 20 30 CGEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c(F)c1 ZINC000158996654 372096913 /nfs/dbraw/zinc/09/69/13/372096913.db2.gz VRNNGUSNPQMMQC-INIZCTEOSA-N -1 3 298.317 3.284 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1c(F)cccc1F ZINC000292842597 372224338 /nfs/dbraw/zinc/22/43/38/372224338.db2.gz QRBGCLWDVQHLAA-QMMMGPOBSA-N -1 3 275.245 3.353 20 30 CGEDHM N#Cc1ccc(NC(=O)[N-]OCC2CC2)cc1C(F)(F)F ZINC000292892283 372240297 /nfs/dbraw/zinc/24/02/97/372240297.db2.gz YVYASCXFBUTXJW-UHFFFAOYSA-N -1 3 299.252 3.040 20 30 CGEDHM C=CCC(C)(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000293754885 372472211 /nfs/dbraw/zinc/47/22/11/372472211.db2.gz KTWXMEFXSBUXTD-UHFFFAOYSA-N -1 3 267.756 3.378 20 30 CGEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(C)ccc1[O-] ZINC000436569107 372836509 /nfs/dbraw/zinc/83/65/09/372836509.db2.gz ZWLOHNHLTGTQKL-UHFFFAOYSA-N -1 3 288.391 3.493 20 30 CGEDHM CC(C)c1ccc(C(=O)NC2(C#N)CCCCC2)c([O-])c1 ZINC000436668471 372838815 /nfs/dbraw/zinc/83/88/15/372838815.db2.gz CJYQCKBEPKJZBT-UHFFFAOYSA-N -1 3 286.375 3.472 20 30 CGEDHM C=CCc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc(OC)c1O ZINC000436781559 372840879 /nfs/dbraw/zinc/84/08/79/372840879.db2.gz DJMNBOAFMMKNGZ-SREVYHEPSA-N -1 3 298.342 3.104 20 30 CGEDHM Cc1cc(Cl)cc(CN(CCC#N)CC2CC2)c1[O-] ZINC000180058342 373962279 /nfs/dbraw/zinc/96/22/79/373962279.db2.gz TYXKABQVSFSMKI-UHFFFAOYSA-N -1 3 278.783 3.480 20 30 CGEDHM NC(=O)C[C@H](NC(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000329903853 374440284 /nfs/dbraw/zinc/44/02/84/374440284.db2.gz IQBOEZRNYKXURG-VIFPVBQESA-N -1 3 297.380 3.028 20 30 CGEDHM Cc1ccc([O-])c(C(=O)NCC2(C(N)=O)CCCC2)c1 ZINC000330476150 374471142 /nfs/dbraw/zinc/47/11/42/374471142.db2.gz HDSHMTYCBKHOQZ-UHFFFAOYSA-N -1 3 276.336 3.101 20 30 CGEDHM C=C(C)C[C@H](C)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000468340977 374980358 /nfs/dbraw/zinc/98/03/58/374980358.db2.gz YWWXVYPIIJFSFT-ZDUSSCGKSA-N -1 3 283.375 3.348 20 30 CGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470614107 374997645 /nfs/dbraw/zinc/99/76/45/374997645.db2.gz YSFXWPMGCJYSRE-MRVPVSSYSA-N -1 3 299.779 3.247 20 30 CGEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000472698492 375031706 /nfs/dbraw/zinc/03/17/06/375031706.db2.gz KLKOHABQEGJVAS-UHFFFAOYSA-N -1 3 291.775 3.114 20 30 CGEDHM Cc1nc(C(=O)[N-]c2sc(C)c(C)c2C#N)c(C)o1 ZINC000335168775 375196310 /nfs/dbraw/zinc/19/63/10/375196310.db2.gz KOVIXWJOWLLINE-UHFFFAOYSA-N -1 3 275.333 3.094 20 30 CGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1[C@H](C)C1CC1 ZINC000537474480 376171959 /nfs/dbraw/zinc/17/19/59/376171959.db2.gz BPZAYAVXCYUDGI-TZMCWYRMSA-N -1 3 294.358 3.048 20 30 CGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000539384468 376306100 /nfs/dbraw/zinc/30/61/00/376306100.db2.gz IPEQMXHPRZKSLR-SECBINFHSA-N -1 3 293.841 3.425 20 30 CGEDHM N#Cc1cccc(/C=C\C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000254930763 377717158 /nfs/dbraw/zinc/71/71/58/377717158.db2.gz WHNLZZDNBZKNBY-DAXSKMNVSA-N -1 3 282.274 3.055 20 30 CGEDHM C=CC1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000577878462 378020103 /nfs/dbraw/zinc/02/01/03/378020103.db2.gz JJCNZJNHADZRJQ-UHFFFAOYSA-N -1 3 265.378 3.153 20 30 CGEDHM CCn1nc(C)c([N-]c2ccc(C#N)cc2[N+](=O)[O-])c1C ZINC000266284519 190245963 /nfs/dbraw/zinc/24/59/63/190245963.db2.gz VDHPRIMFJUUWLC-UHFFFAOYSA-N -1 3 285.307 3.043 20 30 CGEDHM [O-]c1cccc(C=Nc2cc(F)c(F)c(F)c2)c1O ZINC000741166259 572487058 /nfs/dbraw/zinc/48/70/58/572487058.db2.gz ZDCCSJYRYSRIRE-UHFFFAOYSA-N -1 3 267.206 3.266 20 30 CGEDHM O=C(Nc1ccc([O-])cc1F)C1(C2CC2)CCOCC1 ZINC000329636364 392690212 /nfs/dbraw/zinc/69/02/12/392690212.db2.gz VBHYZALOJMYGKN-UHFFFAOYSA-N -1 3 279.311 3.326 20 30 CGEDHM CC(C)c1ccc(C(=O)N2CCC(CC#N)CC2)c([O-])c1 ZINC000335694196 392807414 /nfs/dbraw/zinc/80/74/14/392807414.db2.gz UKMGTXVVGIWDJZ-UHFFFAOYSA-N -1 3 286.375 3.281 20 30 CGEDHM Cc1cccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000078266707 287046089 /nfs/dbraw/zinc/04/60/89/287046089.db2.gz PUZGFYYTRWMCGN-LBPRGKRZSA-N -1 3 280.327 3.063 20 30 CGEDHM C=CC[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000656759927 419211077 /nfs/dbraw/zinc/21/10/77/419211077.db2.gz LTSGAPORNYVICE-LBPRGKRZSA-N -1 3 263.337 3.074 20 30 CGEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000657037857 419226547 /nfs/dbraw/zinc/22/65/47/419226547.db2.gz LTHLVMSVTNLERO-VXGBXAGGSA-N -1 3 285.434 3.161 20 30 CGEDHM CCc1noc(C)c1[N-]C(=O)c1oc(CC2CC2)nc1C ZINC000330020667 228018874 /nfs/dbraw/zinc/01/88/74/228018874.db2.gz WUPSWUWTTJNUMF-UHFFFAOYSA-N -1 3 289.335 3.431 20 30 CGEDHM CCCOc1ccc(/C=N/[C@@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000280965786 263065431 /nfs/dbraw/zinc/06/54/31/263065431.db2.gz ITADALPMXWKQJZ-RTXBOSROSA-N -1 3 277.364 3.025 20 30 CGEDHM CC[C@H](C)CON=C([O-])Nc1ccccc1O[C@H](C)C#N ZINC000296968291 263199324 /nfs/dbraw/zinc/19/93/24/263199324.db2.gz WWEJHYIASYCIBE-NWDGAFQWSA-N -1 3 291.351 3.077 20 30 CGEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000296968291 263199325 /nfs/dbraw/zinc/19/93/25/263199325.db2.gz WWEJHYIASYCIBE-NWDGAFQWSA-N -1 3 291.351 3.077 20 30 CGEDHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC[C@H](C)C2)c1 ZINC000331231085 264152424 /nfs/dbraw/zinc/15/24/24/264152424.db2.gz IGPSLCLAHVKEAL-CMPLNLGQSA-N -1 3 290.363 3.091 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1c(F)cccc1F ZINC000292842596 264896906 /nfs/dbraw/zinc/89/69/06/264896906.db2.gz QRBGCLWDVQHLAA-MRVPVSSYSA-N -1 3 275.245 3.353 20 30 CGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000357664532 266341751 /nfs/dbraw/zinc/34/17/51/266341751.db2.gz UJSGSJUMNLOPBI-ZDUSSCGKSA-N -1 3 290.326 3.065 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]C1(c2ccccc2F)CC1 ZINC000295055148 328284615 /nfs/dbraw/zinc/28/46/15/328284615.db2.gz QPWXLZBIUHTPOY-UHFFFAOYSA-N -1 3 269.266 3.142 20 30 CGEDHM CC(C)N(CCC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000525921479 329364672 /nfs/dbraw/zinc/36/46/72/329364672.db2.gz SWWHWSKUTDDQSN-UHFFFAOYSA-N -1 3 282.343 3.310 20 30 CGEDHM N#CC(=C([O-])c1csc(Cl)c1)c1ccccn1 ZINC000191374116 330138316 /nfs/dbraw/zinc/13/83/16/330138316.db2.gz CDGCKWPSRBVPAG-VIFPVBQESA-N -1 3 262.721 3.287 20 30 CGEDHM C=CCC1(NC(=O)c2cccc([O-])c2)CCCCC1 ZINC000456376626 331191767 /nfs/dbraw/zinc/19/17/67/331191767.db2.gz FETPYTKQPQWPGX-UHFFFAOYSA-N -1 3 259.349 3.401 20 30 CGEDHM C=C(CNC(=O)c1ccc([O-])c(C)c1)c1ccccc1 ZINC000488916803 332033651 /nfs/dbraw/zinc/03/36/51/332033651.db2.gz UYTOJCJOJDYPNU-UHFFFAOYSA-N -1 3 267.328 3.144 20 30 CGEDHM C[C@@H]1CCC[C@H](CCNC(=O)c2csc(=O)[n-]2)C1 ZINC000329980125 533834477 /nfs/dbraw/zinc/83/44/77/533834477.db2.gz KRVNIUBJXJDIMR-NXEZZACHSA-N -1 3 268.382 3.370 20 30 CGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC(C)(C)C)nc1-2 ZINC000750727888 571779200 /nfs/dbraw/zinc/77/92/00/571779200.db2.gz ATQIRTQTXHMVTO-JPVGGKMYSA-N -1 3 282.347 3.045 20 30 CGEDHM CCC[C@@H]1CCCC[C@@H]1/N=C\c1c([O-])c(C)ncc1CO ZINC000728231727 571797327 /nfs/dbraw/zinc/79/73/27/571797327.db2.gz OCENGDNBMRKZAH-LRZFIDCISA-N -1 3 290.407 3.366 20 30 CGEDHM CC(=NNc1ccc(C#N)cc1)c1ccc([O-])c(F)c1 ZINC000728426298 571805159 /nfs/dbraw/zinc/80/51/59/571805159.db2.gz ZBJXPDFTNYVRSP-UHFFFAOYSA-N -1 3 269.279 3.239 20 30 CGEDHM C=CCN(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000521447114 571855575 /nfs/dbraw/zinc/85/55/75/571855575.db2.gz UDNPUZVKLJSBCX-NSHDSACASA-N -1 3 274.147 3.237 20 30 CGEDHM N#Cc1cccc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000737730617 572359945 /nfs/dbraw/zinc/35/99/45/572359945.db2.gz NTGUZIZGFRPPJP-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM N#Cc1cccc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000737730617 572359946 /nfs/dbraw/zinc/35/99/46/572359946.db2.gz NTGUZIZGFRPPJP-UHFFFAOYSA-N -1 3 293.355 3.031 20 30 CGEDHM CSc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000730549700 572361499 /nfs/dbraw/zinc/36/14/99/572361499.db2.gz ISAZWOJGAJQPKI-UHFFFAOYSA-N -1 3 288.372 3.060 20 30 CGEDHM N#C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000737676835 572364110 /nfs/dbraw/zinc/36/41/10/572364110.db2.gz XPWPAVFMXGNCMG-AWEZNQCLSA-N -1 3 299.403 3.431 20 30 CGEDHM N#C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000737676835 572364114 /nfs/dbraw/zinc/36/41/14/572364114.db2.gz XPWPAVFMXGNCMG-AWEZNQCLSA-N -1 3 299.403 3.431 20 30 CGEDHM C#CCOc1cccc(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC000731052701 572392537 /nfs/dbraw/zinc/39/25/37/572392537.db2.gz IGPPRRRHSPTGQH-UHFFFAOYSA-N -1 3 295.338 3.219 20 30 CGEDHM [O-]c1ccccc1/C=N/CCc1ccc(F)cc1F ZINC000732623131 572474417 /nfs/dbraw/zinc/47/44/17/572474417.db2.gz ZKHMFJFLXGFVKW-VCHYOVAHSA-N -1 3 261.271 3.332 20 30 CGEDHM C[C@@]1(C/N=C/c2c([O-])ccc3ccccc32)CCOC1 ZINC000733080940 572506702 /nfs/dbraw/zinc/50/67/02/572506702.db2.gz HEIPRYNQXRURJV-DKFVHQPUSA-N -1 3 269.344 3.391 20 30 CGEDHM COc1cccc([O-])c1/C=N/[C@H](C)c1c(C)noc1C 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/nfs/dbraw/zinc/68/10/04/803681004.db2.gz LTVHERHVLLLDLY-CYVLTUHYSA-N -1 3 296.326 3.050 20 30 CGEDHM CN(Cc1cccc(C#N)c1)Cc1c([O-])cccc1F ZINC001137840348 803779497 /nfs/dbraw/zinc/77/94/97/803779497.db2.gz YMKBLVDKXXEFSM-UHFFFAOYSA-N -1 3 270.307 3.035 20 30 CGEDHM Cc1noc([N-]c2ccnc(Cl)c2Cl)c1C#N ZINC001212230503 814994045 /nfs/dbraw/zinc/99/40/45/814994045.db2.gz XGGDIWWAAGSZCH-UHFFFAOYSA-N -1 3 269.091 3.300 20 30 CGEDHM CC(C)Oc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001148399724 805178798 /nfs/dbraw/zinc/17/87/98/805178798.db2.gz KBJLRWDQQCXDSQ-UHFFFAOYSA-N -1 3 296.326 3.303 20 30 CGEDHM Cc1ccc2[nH]c(C(=O)Nc3ccc([O-])c(C#N)c3)cc2c1 ZINC001149488475 805235226 /nfs/dbraw/zinc/23/52/26/805235226.db2.gz PKLBJYFEDCBOGV-UHFFFAOYSA-N -1 3 291.310 3.306 20 30 CGEDHM N#Cc1ccnc(Nc2ccc(C(F)(F)F)cc2[O-])c1 ZINC001212628962 815089067 /nfs/dbraw/zinc/08/90/67/815089067.db2.gz IPENONFRMYUGLQ-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM C#C[C@@](C)(CC)Nc1[n-]c(=O)c(Cl)cc1Cl ZINC001169689764 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ZINC001214766435 815449175 /nfs/dbraw/zinc/44/91/75/815449175.db2.gz BAGRAAMEAAQWLT-UHFFFAOYSA-N -1 3 288.253 3.488 20 30 CGEDHM N#Cc1c(Nc2cncc([O-])c2)cccc1C(F)(F)F ZINC001201642647 811929707 /nfs/dbraw/zinc/92/97/07/811929707.db2.gz XYSYAYYKWVSWDE-UHFFFAOYSA-N -1 3 279.221 3.421 20 30 CGEDHM Cc1ccc([O-])c(-c2nc(-c3cc(F)cc(C#N)c3)no2)c1 ZINC001215156604 815488936 /nfs/dbraw/zinc/48/89/36/815488936.db2.gz FLCCFICJZKRIBW-UHFFFAOYSA-N -1 3 295.273 3.428 20 30 CGEDHM N#Cc1ncc([N-]c2cc(-c3ccco3)no2)cc1F ZINC001203048845 812228712 /nfs/dbraw/zinc/22/87/12/812228712.db2.gz BSCRLTZAQZMVNO-UHFFFAOYSA-N -1 3 270.223 3.084 20 30 CGEDHM N#CCCN(Cc1ccc(Cl)cc1[O-])CC1CC1 ZINC001204496292 812656309 /nfs/dbraw/zinc/65/63/09/812656309.db2.gz FGJMILMIGGNBHL-UHFFFAOYSA-N -1 3 264.756 3.171 20 30 CGEDHM CN(C)/C=N/c1ccc(-c2ccc([O-])cc2F)cc1C#N ZINC001206073068 813190952 /nfs/dbraw/zinc/19/09/52/813190952.db2.gz MKXVIQNYIHXJAK-VXLYETTFSA-N -1 3 283.306 3.291 20 30 CGEDHM N#Cc1cc2cccnc2nc1[N-]c1ccccc1[N+](=O)[O-] ZINC001206144806 813212918 /nfs/dbraw/zinc/21/29/18/813212918.db2.gz RLIMJGUTGBDQKF-UHFFFAOYSA-N -1 3 291.270 3.153 20 30 CGEDHM N#Cc1nc(Cl)ccc1Nc1ccc(F)cc1[O-] ZINC001210014435 814242823 /nfs/dbraw/zinc/24/28/23/814242823.db2.gz KFQKLQAAOJIWCG-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM COc1cc(Nc2ccc(F)cc2[O-])ccc1C#N ZINC001210017179 814246829 /nfs/dbraw/zinc/24/68/29/814246829.db2.gz RLWDZAHNFGFLDZ-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1cc(F)ccc1Nc1cc(Cl)ncc1[O-] ZINC001210550283 814520540 /nfs/dbraw/zinc/52/05/40/814520540.db2.gz FYRFCHVRDOESJM-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM Cc1nnc(-c2cc([O-])cc(C(F)(F)F)c2)c(C#N)c1C ZINC001242780091 823130972 /nfs/dbraw/zinc/13/09/72/823130972.db2.gz LTBZNFNBDDHIJW-UHFFFAOYSA-N -1 3 293.248 3.357 20 30 CGEDHM Cc1cc(-n2ccc3c2cc(C#N)cc3N)cc([O-])c1F ZINC001216082278 815685651 /nfs/dbraw/zinc/68/56/51/815685651.db2.gz LWINIZUHHGLAGN-UHFFFAOYSA-N -1 3 281.290 3.238 20 30 CGEDHM Cc1cc(Nc2ccc(C#N)nc2C)cc([O-])c1F ZINC001216079775 815685977 /nfs/dbraw/zinc/68/59/77/815685977.db2.gz UCWUMSXRJMFYLN-UHFFFAOYSA-N -1 3 257.268 3.158 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cncn2Cc2ccccc2)c1 ZINC001216553094 815857656 /nfs/dbraw/zinc/85/76/56/815857656.db2.gz FWXLWGXMRYJSCD-UHFFFAOYSA-N -1 3 290.326 3.252 20 30 CGEDHM CCOC(=O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001243040387 823220009 /nfs/dbraw/zinc/22/00/09/823220009.db2.gz AQXDAJHPUKSPQR-VCHYOVAHSA-N -1 3 287.290 3.478 20 30 CGEDHM CC[C@@H](C#Cc1ccccc1)Oc1ccc2c([O-])coc2c1 ZINC001225340120 817016831 /nfs/dbraw/zinc/01/68/31/817016831.db2.gz DBMYOAUQKDYVPJ-HNNXBMFYSA-N -1 3 292.334 3.471 20 30 CGEDHM C#C[C@H](CCCCC)Oc1ccc2c([O-])coc2c1 ZINC001225340351 817017544 /nfs/dbraw/zinc/01/75/44/817017544.db2.gz JUBALYSOZCQDFU-GFCCVEGCSA-N -1 3 258.317 3.223 20 30 CGEDHM CC(=O)c1ccc([O-])c(O[C@H](C)CC(C)(C)S)c1 ZINC001225995812 817243823 /nfs/dbraw/zinc/24/38/23/817243823.db2.gz STEJEZOPBIIGBH-SECBINFHSA-N -1 3 268.378 3.461 20 30 CGEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cccc(/C=N/[O-])c1 ZINC001226113897 817276105 /nfs/dbraw/zinc/27/61/05/817276105.db2.gz BFMTYVRPAIMKSJ-VVBXCHJUSA-N -1 3 291.347 3.160 20 30 CGEDHM C=CC[C@@H](Oc1[n-]c(=O)ncc1C(C)=O)c1ccccc1 ZINC001226238144 817307325 /nfs/dbraw/zinc/30/73/25/817307325.db2.gz PRIAHFATAMIPMO-CQSZACIVSA-N -1 3 284.315 3.081 20 30 CGEDHM Cc1ccc([C@@H](C)Oc2nccc(/C=N/[O-])n2)c(C)c1 ZINC001226256406 817312760 /nfs/dbraw/zinc/31/27/60/817312760.db2.gz RLNJCSJBLHPXHP-UDPFGDFPSA-N -1 3 271.320 3.042 20 30 CGEDHM N#C[C@H](Oc1[n-]c(=O)nc2ccc(F)cc21)c1ccccc1 ZINC001226408348 817349767 /nfs/dbraw/zinc/34/97/67/817349767.db2.gz IXJPEUDRLJGLKM-AWEZNQCLSA-N -1 3 295.273 3.118 20 30 CGEDHM C#C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226597205 817409340 /nfs/dbraw/zinc/40/93/40/817409340.db2.gz RFMCMXNPIGAXJG-HNNXBMFYSA-N -1 3 292.290 3.252 20 30 CGEDHM N#Cc1ccc([O-])c(O[C@H]2CCCc3cccnc32)c1 ZINC001227344658 817628102 /nfs/dbraw/zinc/62/81/02/817628102.db2.gz 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CO/N=C/c1cc(-c2ccc([O-])c(F)c2)cc(F)c1F ZINC001240790035 821333130 /nfs/dbraw/zinc/33/31/30/821333130.db2.gz HIQCDKIPHNZWFJ-CNHKJKLMSA-N -1 3 281.233 3.457 20 30 CGEDHM COc1cc(OC)cc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001241132494 821587692 /nfs/dbraw/zinc/58/76/92/821587692.db2.gz URODYKDYTTVQJA-ZCXUNETKSA-N -1 3 283.327 3.495 20 30 CGEDHM N#CCc1cc(-c2cc([O-])cc(F)c2)ccc1C#N ZINC001241272458 821691731 /nfs/dbraw/zinc/69/17/31/821691731.db2.gz QLTIHWOIKHEKOQ-UHFFFAOYSA-N -1 3 252.248 3.136 20 30 CGEDHM Cn1ncc2cc(-c3cc(/C=N/[O-])ccc3F)ccc21 ZINC001241440284 821834357 /nfs/dbraw/zinc/83/43/57/821834357.db2.gz LVWOCZWAXLGZQI-QGMBQPNBSA-N -1 3 269.279 3.188 20 30 CGEDHM [O-]/N=C/c1ccc(F)c(-c2cccc3c2OCC3)c1 ZINC001242011672 822276165 /nfs/dbraw/zinc/27/61/65/822276165.db2.gz NRFXFKDVLRTDFJ-RQZCQDPDSA-N -1 3 257.264 3.236 20 30 CGEDHM COc1ccc(-c2ccc(F)cc2[O-])c(CC#N)c1 ZINC001242218764 822915772 /nfs/dbraw/zinc/91/57/72/822915772.db2.gz OVFJUHDSWVXHTD-UHFFFAOYSA-N -1 3 257.264 3.273 20 30 CGEDHM 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CC[C@@H](CC#N)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001343504977 936504542 /nfs/dbraw/zinc/50/45/42/936504542.db2.gz ZFSZZAUPYWMHAL-QMMMGPOBSA-N -1 3 293.273 3.350 20 30 CGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000588467470 926771631 /nfs/dbraw/zinc/77/16/31/926771631.db2.gz KQWKMOTWFFVEME-FKPVXGFXSA-N -1 3 279.767 3.422 20 30 CGEDHM CCCCCCN([O-])C(=O)CCOCc1ccccc1 ZINC001458011514 937448501 /nfs/dbraw/zinc/44/85/01/937448501.db2.gz NXFBETWPLMRALK-UHFFFAOYSA-N -1 3 279.380 3.391 20 30 CGEDHM C#CCCCCC(=O)N([O-])CCCCc1ccccc1 ZINC001458007667 937448670 /nfs/dbraw/zinc/44/86/70/937448670.db2.gz KREISEHDTHBBTG-UHFFFAOYSA-N -1 3 273.376 3.421 20 30 CGEDHM CCCCCCN([O-])C(=O)C1(C(=O)OC(C)(C)C)CCC1 ZINC001458012229 937448718 /nfs/dbraw/zinc/44/87/18/937448718.db2.gz SVCBPSNTOSMPKE-UHFFFAOYSA-N -1 3 299.411 3.297 20 30 CGEDHM C#C[C@@H]1CCC[C@@H]1Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229351559 932136922 /nfs/dbraw/zinc/13/69/22/932136922.db2.gz BPFZLLDWDHVFOL-ZJUUUORDSA-N -1 3 290.413 3.469 20 30 CGEDHM Cc1csc2[n-]c(=S)nc(O[C@H](C)[C@H](C)S)c12 ZINC001229351466 932136943 /nfs/dbraw/zinc/13/69/43/932136943.db2.gz BCANSNGNZXVNMA-RQJHMYQMSA-N -1 3 286.447 3.374 20 30 CGEDHM CCC#C[C@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229568948 932173538 /nfs/dbraw/zinc/17/35/38/932173538.db2.gz IFGSGUCKUOIWJB-QMMMGPOBSA-N -1 3 264.375 3.161 20 30 CGEDHM N#C[C@H](Oc1nc2ccsc2[n-]1)c1cccc(F)c1 ZINC001234853542 932687656 /nfs/dbraw/zinc/68/76/56/932687656.db2.gz GZKXZAFMJZQKHH-NSHDSACASA-N -1 3 273.292 3.407 20 30 CGEDHM CN(C)Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1F ZINC001242566159 932702938 /nfs/dbraw/zinc/70/29/38/932702938.db2.gz KYWDXLMBFDPTIF-UHFFFAOYSA-N -1 3 270.307 3.132 20 30 CGEDHM N#Cc1cc(-c2ccc(N3CCSCC3)cc2)ccc1[O-] ZINC001242566189 932703420 /nfs/dbraw/zinc/70/34/20/932703420.db2.gz MHGJHPJZSHQUBE-UHFFFAOYSA-N -1 3 296.395 3.484 20 30 CGEDHM C#C[C@H](NCc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001462275210 937629430 /nfs/dbraw/zinc/62/94/30/937629430.db2.gz GVLVGQDIHSGKDG-HNNXBMFYSA-N -1 3 291.272 3.274 20 30 CGEDHM Cc1nc(C(=O)N([O-])Cc2ccccc2Cl)c(C)s1 ZINC001306895328 932891711 /nfs/dbraw/zinc/89/17/11/932891711.db2.gz YGSZRUXUVQDELX-UHFFFAOYSA-N -1 3 296.779 3.445 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC001306896709 932893137 /nfs/dbraw/zinc/89/31/37/932893137.db2.gz JQBMKQWQHKXPOE-GFCCVEGCSA-N -1 3 283.343 3.391 20 30 CGEDHM CO[C@@H]1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC001320979889 934130573 /nfs/dbraw/zinc/13/05/73/934130573.db2.gz AZZXWPVMUAPPKC-WWISCJFESA-N -1 3 298.180 3.141 20 30 CGEDHM O=C(/C=C/c1ccc[nH]1)N([O-])Cc1ccccc1Cl ZINC001472620315 937778354 /nfs/dbraw/zinc/77/83/54/937778354.db2.gz XNTWHAGWBXNYJK-BQYQJAHWSA-N -1 3 276.723 3.099 20 30 CGEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001472620536 937778668 /nfs/dbraw/zinc/77/86/68/937778668.db2.gz GLUZTBCHNLYVIC-UWVGGRQHSA-N -1 3 269.291 3.086 20 30 CGEDHM CC(C)CO[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001559034294 938218965 /nfs/dbraw/zinc/21/89/65/938218965.db2.gz UKWAZFPQGNFLCQ-HNNXBMFYSA-N -1 3 293.407 3.288 20 30 CGEDHM CCO[C@@H](C(=O)N([O-])CCCCc1ccccc1)C(C)C ZINC001559034053 938219084 /nfs/dbraw/zinc/21/90/84/938219084.db2.gz KTTSXOWJXIDTIT-MRXNPFEDSA-N -1 3 293.407 3.288 20 30 CGEDHM O=C(c1cccnc1F)N([O-])Cc1cccc2ccccc21 ZINC001559036535 938219222 /nfs/dbraw/zinc/21/92/22/938219222.db2.gz MRGLYPRLNYXEIT-UHFFFAOYSA-N -1 3 296.301 3.406 20 30 CGEDHM CCCCCCN([O-])C(=O)[C@@H](C)c1ccc2c(c1)OCO2 ZINC001559034807 938219336 /nfs/dbraw/zinc/21/93/36/938219336.db2.gz PUGNTFWSPGBKHK-LBPRGKRZSA-N -1 3 293.363 3.317 20 30 CGEDHM C=CCCCCCCCCN=c1ncnc2[nH][n-]cc1-2 ZINC001559204854 938222209 /nfs/dbraw/zinc/22/22/09/938222209.db2.gz VSNJKWCIQSEDJX-UHFFFAOYSA-N -1 3 273.384 3.055 20 30 CGEDHM COc1ccc(C#N)cc1NCc1cc(F)c(F)cc1[O-] ZINC001560744364 938273616 /nfs/dbraw/zinc/27/36/16/938273616.db2.gz KYJYRAHYIXTHHT-UHFFFAOYSA-N -1 3 290.269 3.163 20 30 CGEDHM N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(C(=O)[O-])c1 ZINC001594626723 956319852 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O=C(CCCc1ccccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000078350729 345602563 /nfs/dbraw/zinc/60/25/63/345602563.db2.gz SBOHDRMVZSTPNX-UHFFFAOYSA-N -1 3 298.268 3.434 20 30 CGEDHM O=C(CCCc1ccccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000078350729 345602565 /nfs/dbraw/zinc/60/25/65/345602565.db2.gz SBOHDRMVZSTPNX-UHFFFAOYSA-N -1 3 298.268 3.434 20 30 CGEDHM N#Cc1[n-]c(=NC[C@@H]2CC23CCSCC3)sc1Cl ZINC000596276913 347409588 /nfs/dbraw/zinc/40/95/88/347409588.db2.gz BACFKIMFUYAYRX-QMMMGPOBSA-N -1 3 299.852 3.035 20 30 CGEDHM CSc1ccc([O-])c(C(=O)N(CC#N)C2CCCC2)c1 ZINC000597276478 347565665 /nfs/dbraw/zinc/56/56/65/347565665.db2.gz JMSPVJYQSRQYSO-UHFFFAOYSA-N -1 3 290.388 3.022 20 30 CGEDHM CCN(Cc1cc([O-])ccc1Cl)C[C@H](C)C#N ZINC000599277676 347731998 /nfs/dbraw/zinc/73/19/98/347731998.db2.gz RFGLZJFNENBSHN-SNVBAGLBSA-N -1 3 252.745 3.027 20 30 CGEDHM Cc1cc(-c2ccc(C#N)cc2[O-])ccc1O[C@@H]1CCOC1 ZINC000600779388 347834710 /nfs/dbraw/zinc/83/47/10/347834710.db2.gz TWJAWRVDRJGDOP-OAHLLOKOSA-N -1 3 295.338 3.407 20 30 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C=CC[C@H](CC)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000281855536 393358447 /nfs/dbraw/zinc/35/84/47/393358447.db2.gz YKALMZCUSGSYCF-NSHDSACASA-N -1 3 270.332 3.025 20 30 CGEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(C#N)cc2)n1 ZINC000488801301 393557013 /nfs/dbraw/zinc/55/70/13/393557013.db2.gz PHYARQUSQLDMKX-SNVBAGLBSA-N -1 3 271.345 3.216 20 30 CGEDHM O=C(N[O-])c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000671996136 543195563 /nfs/dbraw/zinc/19/55/63/543195563.db2.gz PITWWWWKAFTDNM-UHFFFAOYSA-N -1 3 269.709 3.203 20 30 CGEDHM CCc1ccc([O-])c(NC(=O)c2ccc(C#N)cc2)c1 ZINC000074827606 287018559 /nfs/dbraw/zinc/01/85/59/287018559.db2.gz ADUXQKYHWXCKHS-UHFFFAOYSA-N -1 3 266.300 3.079 20 30 CGEDHM N#CC[C@H](CC(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000354814937 227132324 /nfs/dbraw/zinc/13/23/24/227132324.db2.gz FBYSRRCTMRORBB-CQSZACIVSA-N -1 3 280.327 3.418 20 30 CGEDHM CCn1cnnc1[N-]C(=O)[C@H](C)OC1CCCCCC1 ZINC000329116454 227307827 /nfs/dbraw/zinc/30/78/27/227307827.db2.gz NJMVMWLPTIHZIW-NSHDSACASA-N -1 3 280.372 3.014 20 30 CGEDHM C=CCCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652470958 418973076 /nfs/dbraw/zinc/97/30/76/418973076.db2.gz OMALJTNKOJCTIK-HNNXBMFYSA-N -1 3 259.349 3.027 20 30 CGEDHM C=C(C)CN(CC)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000652370055 418958678 /nfs/dbraw/zinc/95/86/78/418958678.db2.gz NRSHJIKWJOWDJX-NSHDSACASA-N -1 3 251.326 3.245 20 30 CGEDHM CC(C)C[C@H]1C[C@H](/N=C/c2ccccc2[O-])CCO1 ZINC000271955703 263000547 /nfs/dbraw/zinc/00/05/47/263000547.db2.gz SFBUEDJAXCOKEK-NIRMRBTQSA-N -1 3 261.365 3.405 20 30 CGEDHM CC(C)(C#N)CCCC[S@](=O)c1ccc([O-])cc1 ZINC000278354617 263047367 /nfs/dbraw/zinc/04/73/67/263047367.db2.gz WGLUZNRKMHHNFJ-SFHVURJKSA-N -1 3 265.378 3.220 20 30 CGEDHM CCc1cc(C(=O)N(CCC#N)Cc2ccco2)ccc1[O-] ZINC000291388079 263121858 /nfs/dbraw/zinc/12/18/58/263121858.db2.gz AAFXEUQLFFQAOH-UHFFFAOYSA-N -1 3 298.342 3.104 20 30 CGEDHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000331227239 264150677 /nfs/dbraw/zinc/15/06/77/264150677.db2.gz DKTGTLZDLJLYSE-TZMCWYRMSA-N -1 3 291.391 3.371 20 30 CGEDHM CC(C)c1ccc(C(=O)N[C@@](C)(CO)C(C)C)c([O-])c1 ZINC000331236774 264175219 /nfs/dbraw/zinc/17/52/19/264175219.db2.gz MPHIHUQFRUTMPY-INIZCTEOSA-N -1 3 279.380 3.227 20 30 CGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1[O-] ZINC000331246874 264179597 /nfs/dbraw/zinc/17/95/97/264179597.db2.gz VKMVEJAQNAVWHG-ZWNOBZJWSA-N -1 3 275.348 3.478 20 30 CGEDHM C=CCCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280845028 264450298 /nfs/dbraw/zinc/45/02/98/264450298.db2.gz UPGKZQYLSMUJKQ-UHFFFAOYSA-N -1 3 273.254 3.107 20 30 CGEDHM C=CCC(F)(F)C(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000293448747 264943265 /nfs/dbraw/zinc/94/32/65/264943265.db2.gz SNGJSEQOYPKFSP-UHFFFAOYSA-N -1 3 274.336 3.094 20 30 CGEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000519079499 265313772 /nfs/dbraw/zinc/31/37/72/265313772.db2.gz DMLFXBBCLGDSNU-DOMZBBRYSA-N -1 3 289.375 3.219 20 30 CGEDHM Cc1ccc(NC(=O)/C=C\c2cccc(C#N)c2)c([O-])c1 ZINC000255663354 287876287 /nfs/dbraw/zinc/87/62/87/287876287.db2.gz QZHOYDAMAZSDSG-VURMDHGXSA-N -1 3 278.311 3.224 20 30 CGEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277352162 328221212 /nfs/dbraw/zinc/22/12/12/328221212.db2.gz FGMNGOJLZBBCTP-ZUZCIYMTSA-N -1 3 292.766 3.248 20 30 CGEDHM C=CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000447942906 330880715 /nfs/dbraw/zinc/88/07/15/330880715.db2.gz OCIZIFLHPOQVNZ-UHFFFAOYSA-N -1 3 294.203 3.238 20 30 CGEDHM N#Cc1cccc(SCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000583739555 329471527 /nfs/dbraw/zinc/47/15/27/329471527.db2.gz ZGNKESREEUTYOX-UHFFFAOYSA-N -1 3 283.356 3.224 20 30 CGEDHM CSc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000097029011 330441463 /nfs/dbraw/zinc/44/14/63/330441463.db2.gz JHOUXGJZTGGKFM-CYBMUJFWSA-N -1 3 268.341 3.294 20 30 CGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470614108 331486149 /nfs/dbraw/zinc/48/61/49/331486149.db2.gz YSFXWPMGCJYSRE-QMMMGPOBSA-N -1 3 299.779 3.247 20 30 CGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000546057759 334014826 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CCn1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cn1 ZINC000732529890 572470705 /nfs/dbraw/zinc/47/07/05/572470705.db2.gz BLONHRDTDRWYEO-CAXXOGMASA-N -1 3 286.306 3.131 20 30 CGEDHM C#CCOc1cc(F)ccc1N=Cc1ccccc1[O-] ZINC000741464324 572500520 /nfs/dbraw/zinc/50/05/20/572500520.db2.gz NWTQGNQSLJIBEQ-UHFFFAOYSA-N -1 3 269.275 3.294 20 30 CGEDHM N#Cc1ccc(F)c(CNCc2cc(Cl)ccc2[O-])c1 ZINC000742382007 572572475 /nfs/dbraw/zinc/57/24/75/572572475.db2.gz XBRCSMHAPIOTED-UHFFFAOYSA-N -1 3 290.725 3.346 20 30 CGEDHM COc1cccc([O-])c1/C=N\[C@H](C)c1c(C)noc1C ZINC000733750100 572602111 /nfs/dbraw/zinc/60/21/11/572602111.db2.gz MHVIWRORUWWAAQ-KYZBGHIMSA-N -1 3 274.320 3.186 20 30 CGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000735208230 572708795 /nfs/dbraw/zinc/70/87/95/572708795.db2.gz KWSKYFFDYABLMB-NJHLSQGMSA-N -1 3 290.750 3.344 20 30 CGEDHM [O-]c1c(O)ccc(/C=N/Cc2c(F)cccc2Cl)c1O ZINC000745624921 572827371 /nfs/dbraw/zinc/82/73/71/572827371.db2.gz PJEWVMCUFKCIFB-UBKPWBPPSA-N -1 3 295.697 3.215 20 30 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CGEDHM CO[C@H]1CCCC[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000799742722 630230128 /nfs/dbraw/zinc/23/01/28/630230128.db2.gz GWXIKYPRZPAUGV-VRZLQLBNSA-N -1 3 267.756 3.422 20 30 CGEDHM CC1(C)SC[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000801645719 630349251 /nfs/dbraw/zinc/34/92/51/630349251.db2.gz FPOZXCSTYXFYRY-JBARUQGQSA-N -1 3 255.770 3.359 20 30 CGEDHM CC(=NNC[C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000811658845 631101196 /nfs/dbraw/zinc/10/11/96/631101196.db2.gz PLEHOSBDMCJPRW-SNVBAGLBSA-N -1 3 284.812 3.112 20 30 CGEDHM C=CCO[N-]C(=O)CCCCOc1cc(C)ccc1C ZINC000837044354 634846992 /nfs/dbraw/zinc/84/69/92/634846992.db2.gz LTRVSRLDKQVBHZ-UHFFFAOYSA-N -1 3 277.364 3.086 20 30 CGEDHM C#C[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(C)(C)C ZINC000813775868 631459798 /nfs/dbraw/zinc/45/97/98/631459798.db2.gz AGVHDIWLFXACLS-AWEZNQCLSA-N -1 3 287.384 3.385 20 30 CGEDHM N#C[C@H]1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000818992148 632360989 /nfs/dbraw/zinc/36/09/89/632360989.db2.gz NCSCYZOGBAVVKR-UBEBPUOUSA-N -1 3 293.164 3.266 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/nfs/dbraw/zinc/67/26/03/932672603.db2.gz AVKXYEMHQYAFOM-ZDUSSCGKSA-N -1 3 272.352 3.380 20 30 CGEDHM CCCCN([O-])C(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001306897494 932763134 /nfs/dbraw/zinc/76/31/34/932763134.db2.gz OVQJUWCTLFRLIB-ZDUSSCGKSA-N -1 3 294.351 3.181 20 30 CGEDHM CCCCCCN([O-])C(=O)C[C@H]1Cc2ccccc2O1 ZINC001306897722 932763486 /nfs/dbraw/zinc/76/34/86/932763486.db2.gz ZHHDCYLGMCDQKO-CQSZACIVSA-N -1 3 277.364 3.178 20 30 CGEDHM CCCCCCN([O-])C(=O)CC1CCC(OC)CC1 ZINC001306896577 932892384 /nfs/dbraw/zinc/89/23/84/932892384.db2.gz CTLPSNVMUQAICH-UHFFFAOYSA-N -1 3 271.401 3.380 20 30 CGEDHM C=CCC1(NC(=O)c2ccc(O)cc2[O-])CCCCC1 ZINC001468079463 937724390 /nfs/dbraw/zinc/72/43/90/937724390.db2.gz FMOGAMJZFRIWAI-UHFFFAOYSA-N -1 3 275.348 3.107 20 30 CGEDHM CCCCN([O-])C(=O)Cc1cccc(C)c1Cl ZINC001472620460 937778367 /nfs/dbraw/zinc/77/83/67/937778367.db2.gz CTYUWXOJQXLMNN-UHFFFAOYSA-N -1 3 255.745 3.209 20 30 CGEDHM OCCCCCCN=Nc1nc2ccccc2[n-]c1=S ZINC001330727287 935317786 /nfs/dbraw/zinc/31/77/86/935317786.db2.gz JBTYGMBULGDDCF-UHFFFAOYSA-N -1 3 290.392 3.243 20 30 CGEDHM C=C(C)CN(CC)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001332630209 935478840 /nfs/dbraw/zinc/47/88/40/935478840.db2.gz FGEFFWIBCFELHT-ZDUSSCGKSA-N -1 3 267.756 3.364 20 30 CGEDHM CN(Cc1ccc(Cl)cc1[O-])CC(C)(C)C#N ZINC001474541833 937865683 /nfs/dbraw/zinc/86/56/83/937865683.db2.gz PYGUMIRATQTGSA-UHFFFAOYSA-N -1 3 252.745 3.027 20 30 CGEDHM C=CCCCCCCCNC(=O)c1c([O-])cccc1O ZINC001558994687 938218905 /nfs/dbraw/zinc/21/89/05/938218905.db2.gz UIASQNNEHDYBNR-UHFFFAOYSA-N -1 3 277.364 3.354 20 30 CGEDHM CCCCCCN([O-])C(=O)c1n[nH]c2c1CCCCC2 ZINC001559034466 938219009 /nfs/dbraw/zinc/21/90/09/938219009.db2.gz BCPQEWDSBIZNGI-UHFFFAOYSA-N -1 3 279.384 3.090 20 30 CGEDHM CCCCN([O-])C(=O)Cc1c(C)nc([C@H](C)CC)nc1C ZINC001559035606 938219359 /nfs/dbraw/zinc/21/93/59/938219359.db2.gz YJIKSNLZUACNBQ-LLVKDONJSA-N -1 3 293.411 3.167 20 30 CGEDHM CCCCCCN([O-])C(=O)c1nc(CC)ncc1Cl ZINC001559035141 938219363 /nfs/dbraw/zinc/21/93/63/938219363.db2.gz DOQXFIBECFAWRM-UHFFFAOYSA-N -1 3 285.775 3.104 20 30 CGEDHM N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])cc1)CC2 ZINC001611299545 970982491 /nfs/dbraw/zinc/98/24/91/970982491.db2.gz HLWNERUJQIOKKP-KRWDZBQOSA-N -1 3 292.338 3.034 20 30 CGEDHM CC(C)(C#N)CCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612646 949095756 /nfs/dbraw/zinc/09/57/56/949095756.db2.gz YAHBLLCOEUEBEP-HNNXBMFYSA-N -1 3 286.375 3.000 20 30 CGEDHM C=CCCCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC001573335678 962253728 /nfs/dbraw/zinc/25/37/28/962253728.db2.gz SFHPSTMNBMCMRI-UHFFFAOYSA-N -1 3 278.743 3.255 20 30 CGEDHM C=CCCCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC001573335678 962253742 /nfs/dbraw/zinc/25/37/42/962253742.db2.gz SFHPSTMNBMCMRI-UHFFFAOYSA-N -1 3 278.743 3.255 20 30 CGEDHM C=CCC[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001573358265 963025729 /nfs/dbraw/zinc/02/57/29/963025729.db2.gz XKOPKHPRRLWOPA-CQSZACIVSA-N -1 3 284.359 3.187 20 30 CGEDHM C#CC[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)C1 ZINC001588433656 963266303 /nfs/dbraw/zinc/26/63/03/963266303.db2.gz BLUVQFGQXJTVMW-ZDUSSCGKSA-N -1 3 288.391 3.072 20 30 CGEDHM C=C(C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccccc1 ZINC001588637374 963292343 /nfs/dbraw/zinc/29/23/43/963292343.db2.gz MWCSBARMLNYFSZ-ZDUSSCGKSA-N -1 3 297.354 3.454 20 30 CGEDHM C=C[C@@H](NCc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC001588701131 963302696 /nfs/dbraw/zinc/30/26/96/963302696.db2.gz NRJLTYVPBLTKFX-OAHLLOKOSA-N -1 3 283.327 3.208 20 30 CGEDHM C=C[C@H](NCc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC001588701129 963304758 /nfs/dbraw/zinc/30/47/58/963304758.db2.gz NRJLTYVPBLTKFX-HNNXBMFYSA-N -1 3 283.327 3.208 20 30 CGEDHM CC(C)(NCc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001588794992 963314469 /nfs/dbraw/zinc/31/44/69/963314469.db2.gz BDITZJIKFRFLOC-UHFFFAOYSA-N -1 3 294.354 3.281 20 30 CGEDHM C/C=C/C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594686621 987068333 /nfs/dbraw/zinc/06/83/33/987068333.db2.gz ZVPURRPJJPSVLN-HSWBROFVSA-N -1 3 298.386 3.435 20 30 CGEDHM C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594219400 998842731 /nfs/dbraw/zinc/84/27/31/998842731.db2.gz IUALESXJAUXXMA-UPJWGTAASA-N -1 3 286.375 3.123 20 30 CGEDHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000075505175 345510379 /nfs/dbraw/zinc/51/03/79/345510379.db2.gz RLTNBYZQCNPLPE-LBPRGKRZSA-N -1 3 280.327 3.063 20 30 CGEDHM N#CCCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000594337928 347170368 /nfs/dbraw/zinc/17/03/68/347170368.db2.gz YTJSFUUAQRVCLE-UHFFFAOYSA-N -1 3 252.701 3.068 20 30 CGEDHM C=CCCC(C)(C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000633966502 351408967 /nfs/dbraw/zinc/40/89/67/351408967.db2.gz NHISRXYBFKQRSD-UHFFFAOYSA-N -1 3 279.355 3.182 20 30 CGEDHM N#Cc1cccc(F)c1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436678401 237156917 /nfs/dbraw/zinc/15/69/17/237156917.db2.gz BIMXQRIOCLFEBM-UHFFFAOYSA-N -1 3 295.273 3.044 20 30 CGEDHM N#Cc1ccccc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000102831358 370312140 /nfs/dbraw/zinc/31/21/40/370312140.db2.gz UPZAQNDPWOQVBI-UHFFFAOYSA-N -1 3 289.294 3.466 20 30 CGEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccon1 ZINC000108324993 370357841 /nfs/dbraw/zinc/35/78/41/370357841.db2.gz VNNSBEFIIRMQLV-SNVBAGLBSA-N -1 3 287.344 3.179 20 30 CGEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(F)ccc2F)c(F)c1 ZINC000152026133 371666282 /nfs/dbraw/zinc/66/62/82/371666282.db2.gz FINJDUVEEPDUDB-UHFFFAOYSA-N -1 3 294.207 3.367 20 30 CGEDHM Cc1c(C#N)cccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000431855823 372509501 /nfs/dbraw/zinc/50/95/01/372509501.db2.gz HNLLREMOCACGGW-UHFFFAOYSA-N -1 3 292.298 3.102 20 30 CGEDHM Cc1c(C#N)cccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000431855823 372509508 /nfs/dbraw/zinc/50/95/08/372509508.db2.gz HNLLREMOCACGGW-UHFFFAOYSA-N -1 3 292.298 3.102 20 30 CGEDHM C#C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(C)C ZINC000295185762 372696250 /nfs/dbraw/zinc/69/62/50/372696250.db2.gz SLJSELVESNOYDW-QGZVFWFLSA-N -1 3 295.382 3.252 20 30 CGEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c([O-])c1C ZINC000436545151 372836361 /nfs/dbraw/zinc/83/63/61/372836361.db2.gz RDXDNFWIZMMRRB-DIFFPNOSSA-N -1 3 286.375 3.211 20 30 CGEDHM C=CCC(C)(C)c1noc(-c2cccc(OC)c2[O-])n1 ZINC000436568358 372836574 /nfs/dbraw/zinc/83/65/74/372836574.db2.gz WXXDPENZEKGZIQ-UHFFFAOYSA-N -1 3 274.320 3.305 20 30 CGEDHM Cc1csc([N-]C(=O)c2cnc3ccccc3n2)c1C#N ZINC000344929221 217359221 /nfs/dbraw/zinc/35/92/21/217359221.db2.gz NRSLMPGREMAWAC-UHFFFAOYSA-N -1 3 294.339 3.124 20 30 CGEDHM Cc1ccc2oc(C([O-])=C(C#N)c3ccccn3)cc2n1 ZINC000179609862 373895106 /nfs/dbraw/zinc/89/51/06/373895106.db2.gz RLOGPTMSSQKKOF-LLVKDONJSA-N -1 3 277.283 3.021 20 30 CGEDHM Cc1cccc([O-])c1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000335436981 375291603 /nfs/dbraw/zinc/29/16/03/375291603.db2.gz XLMOCOQPTSQDQF-LBPRGKRZSA-N -1 3 280.327 3.315 20 30 CGEDHM Cc1ccc(C(=O)N2CCc3ccc(C#N)cc32)c([O-])c1C ZINC000335703511 375360012 /nfs/dbraw/zinc/36/00/12/375360012.db2.gz SBIZLPQNEHWIRC-UHFFFAOYSA-N -1 3 292.338 3.084 20 30 CGEDHM N#Cc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000335761874 375408645 /nfs/dbraw/zinc/40/86/45/375408645.db2.gz WBYHETHVZULHMK-UHFFFAOYSA-N -1 3 299.380 3.294 20 30 CGEDHM N#CC(=C([O-])c1cccc(F)c1)c1cnc2ccccc2n1 ZINC000190986184 375559414 /nfs/dbraw/zinc/55/94/14/375559414.db2.gz PSUSSXRZGWVGBB-ZDUSSCGKSA-N -1 3 291.285 3.259 20 30 CGEDHM C=CC(C)(C)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000529453818 375924689 /nfs/dbraw/zinc/92/46/89/375924689.db2.gz SNTUSPCDIJUSKE-UHFFFAOYSA-N -1 3 298.180 3.097 20 30 CGEDHM COC(=O)Nc1cc(N=Cc2ccccc2[O-])ccc1F ZINC000255123165 377734494 /nfs/dbraw/zinc/73/44/94/377734494.db2.gz HPWUFDBMBRCOIT-UHFFFAOYSA-N -1 3 288.278 3.460 20 30 CGEDHM CCC(CC)(C/N=C/c1ccc(O)c([O-])c1O)SC ZINC000266347734 378019564 /nfs/dbraw/zinc/01/95/64/378019564.db2.gz OOPGELAKIWEWTJ-OVCLIPMQSA-N -1 3 283.393 3.144 20 30 CGEDHM C=CC[C@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000279712089 379497219 /nfs/dbraw/zinc/49/72/19/379497219.db2.gz ANWRBKUFUZUHDM-QMMMGPOBSA-N -1 3 273.254 3.105 20 30 CGEDHM Cc1oc(C#N)cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000281408332 379834852 /nfs/dbraw/zinc/83/48/52/379834852.db2.gz WWWBXDZSSLCXBT-JTQLQIEISA-N -1 3 296.326 3.319 20 30 CGEDHM C=CCC1(C(=O)Nc2nnc(-c3ccco3)[n-]2)CCCC1 ZINC000411296871 380139032 /nfs/dbraw/zinc/13/90/32/380139032.db2.gz WSKHYPFHDHGLFZ-UHFFFAOYSA-N -1 3 286.335 3.140 20 30 CGEDHM C=CCC1(C(=O)Nc2nc(-c3ccco3)n[n-]2)CCCC1 ZINC000411296871 380139038 /nfs/dbraw/zinc/13/90/38/380139038.db2.gz WSKHYPFHDHGLFZ-UHFFFAOYSA-N -1 3 286.335 3.140 20 30 CGEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCCC1 ZINC000411296871 380139044 /nfs/dbraw/zinc/13/90/44/380139044.db2.gz WSKHYPFHDHGLFZ-UHFFFAOYSA-N -1 3 286.335 3.140 20 30 CGEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(C)cc(Cl)c1 ZINC000417605117 380646309 /nfs/dbraw/zinc/64/63/09/380646309.db2.gz AGWBSRFTOGXEIN-CYBMUJFWSA-N -1 3 267.756 3.157 20 30 CGEDHM N#Cc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000357701449 381256410 /nfs/dbraw/zinc/25/64/10/381256410.db2.gz GYDDUUZBDYQUDW-UHFFFAOYSA-N -1 3 260.243 3.154 20 30 CGEDHM CCC1(CNC(=O)c2cc(F)cc3nn[n-]c32)CCCC1 ZINC000328665968 542444283 /nfs/dbraw/zinc/44/42/83/542444283.db2.gz ZPEGKWLKKVQRPJ-UHFFFAOYSA-N -1 3 290.342 3.372 20 30 CGEDHM CCC1(CNC(=O)c2cc(F)cc3[n-]nnc32)CCCC1 ZINC000328665968 542444287 /nfs/dbraw/zinc/44/42/87/542444287.db2.gz ZPEGKWLKKVQRPJ-UHFFFAOYSA-N -1 3 290.342 3.372 20 30 CGEDHM CCC1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCCC1 ZINC000328665968 542444288 /nfs/dbraw/zinc/44/42/88/542444288.db2.gz ZPEGKWLKKVQRPJ-UHFFFAOYSA-N -1 3 290.342 3.372 20 30 CGEDHM N#Cc1ccsc1[N-]C(=O)c1csc(C2CC2)n1 ZINC000194782369 392937028 /nfs/dbraw/zinc/93/70/28/392937028.db2.gz GEHUFBLMMIBMGW-UHFFFAOYSA-N -1 3 275.358 3.206 20 30 CGEDHM CC(C)COc1ncccc1C([O-])=C(C#N)c1ccccn1 ZINC000093244526 397642204 /nfs/dbraw/zinc/64/22/04/397642204.db2.gz VNNFBOBYZOVNGS-AWEZNQCLSA-N -1 3 295.342 3.001 20 30 CGEDHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1csc(=O)[n-]1 ZINC000329172004 227336665 /nfs/dbraw/zinc/33/66/65/227336665.db2.gz KVLIGMIVKALQPS-MRVPVSSYSA-N -1 3 290.335 3.369 20 30 CGEDHM C=CC[C@@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000656759303 419210728 /nfs/dbraw/zinc/21/07/28/419210728.db2.gz BQARPCKRSUFIGH-NWDGAFQWSA-N -1 3 263.337 3.327 20 30 CGEDHM CCc1ccc(C(=O)N(CCC#N)CC(C)(C)C)c([O-])c1 ZINC000191225031 262190399 /nfs/dbraw/zinc/19/03/99/262190399.db2.gz VAVIEDFFTBHZOJ-UHFFFAOYSA-N -1 3 288.391 3.357 20 30 CGEDHM CN(Cc1cc([O-])cc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000354017993 262276182 /nfs/dbraw/zinc/27/61/82/262276182.db2.gz NLZOGHUUXGYYHM-UHFFFAOYSA-N -1 3 286.297 3.393 20 30 CGEDHM CC[C@@H](Cc1ccccc1)/N=C/c1c([O-])c(C)ncc1CO ZINC000263897640 262856809 /nfs/dbraw/zinc/85/68/09/262856809.db2.gz ADWGSOMBBDCJEM-YODDIOPGSA-N -1 3 298.386 3.028 20 30 CGEDHM Cc1ccc(C(F)(F)C(=O)[N-]C2(C#N)CCCC2)cc1 ZINC000272473912 263004944 /nfs/dbraw/zinc/00/49/44/263004944.db2.gz PVPKFUJYHMEJAL-UHFFFAOYSA-N -1 3 278.302 3.039 20 30 CGEDHM CC1(C#N)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000273459406 263017133 /nfs/dbraw/zinc/01/71/33/263017133.db2.gz FLHUWEAIWSRJLN-UHFFFAOYSA-N -1 3 298.386 3.037 20 30 CGEDHM CCCOc1ccc(/C=N/C2CC(F)(F)C2)c([O-])c1 ZINC000277417386 263041164 /nfs/dbraw/zinc/04/11/64/263041164.db2.gz OZCFGMMKELPKRS-RQZCQDPDSA-N -1 3 269.291 3.398 20 30 CGEDHM C[C@@H](CC#N)N(C)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290503501 263117340 /nfs/dbraw/zinc/11/73/40/263117340.db2.gz SQLQJAOQCCMMDY-VIFPVBQESA-N -1 3 272.270 3.145 20 30 CGEDHM C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc([O-])c1Cl ZINC000293189791 263138458 /nfs/dbraw/zinc/13/84/58/263138458.db2.gz HYIQHXDNWZJMMF-DOMZBBRYSA-N -1 3 281.783 3.116 20 30 CGEDHM CC(C)c1ccc(C(=O)NC[C@H]2CCCC2=O)c([O-])c1 ZINC000331245644 264178788 /nfs/dbraw/zinc/17/87/88/264178788.db2.gz ROUVNXABJNYHPC-GFCCVEGCSA-N -1 3 275.348 3.189 20 30 CGEDHM CCc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1[O-] ZINC000362548482 267006352 /nfs/dbraw/zinc/00/63/52/267006352.db2.gz UJSJFRZGQGGDFG-HNNXBMFYSA-N -1 3 298.317 3.088 20 30 CGEDHM CC(C)CCN(CCC#N)Cc1cccc(F)c1[O-] ZINC000272339522 328199908 /nfs/dbraw/zinc/19/99/08/328199908.db2.gz YILPYMLJAZZHCP-UHFFFAOYSA-N -1 3 264.344 3.293 20 30 CGEDHM CCN(Cc1ncccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000565507036 322080274 /nfs/dbraw/zinc/08/02/74/322080274.db2.gz CMVYNEYBPJACSD-CYBMUJFWSA-N -1 3 281.359 3.242 20 30 CGEDHM C=CC[C@H](CC)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000281737176 328506313 /nfs/dbraw/zinc/50/63/13/328506313.db2.gz OJGZWAKFHKLQDP-NSHDSACASA-N -1 3 270.332 3.025 20 30 CGEDHM Cc1csc(C(C#N)=C([O-])c2cccc(CN(C)C)c2)n1 ZINC000436696222 330682787 /nfs/dbraw/zinc/68/27/87/330682787.db2.gz ICANGIBCXUKBCO-AWEZNQCLSA-N -1 3 299.399 3.003 20 30 CGEDHM C=CCn1c(=O)[n-]nc1SCCC1=CCCCC1 ZINC000450866962 331003697 /nfs/dbraw/zinc/00/36/97/331003697.db2.gz GMTKZJIMAZTFRV-UHFFFAOYSA-N -1 3 265.382 3.152 20 30 CGEDHM Cc1ccc2c(CN[C@H]3CCC[C@@H]3C#N)ccc([O-])c2n1 ZINC000459489246 331284673 /nfs/dbraw/zinc/28/46/73/331284673.db2.gz XMLPGMRQLVHECW-DOMZBBRYSA-N -1 3 281.359 3.031 20 30 CGEDHM C=CCN(CCOC)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459510175 331285437 /nfs/dbraw/zinc/28/54/37/331285437.db2.gz CIQXWELXTCOROC-UHFFFAOYSA-N -1 3 299.798 3.079 20 30 CGEDHM CCOc1ccccc1CC/N=C/c1c([O-])cccc1OC ZINC000727653248 571760868 /nfs/dbraw/zinc/76/08/68/571760868.db2.gz IRBCQSRPLKPTNL-CPNJWEJPSA-N -1 3 299.370 3.461 20 30 CGEDHM CCOc1cc(C=NNC2CCCC2)cc(Cl)c1[O-] ZINC000727652104 571760027 /nfs/dbraw/zinc/76/00/27/571760027.db2.gz IXSDBBMXWUGLDP-UHFFFAOYSA-N -1 3 282.771 3.310 20 30 CGEDHM CCC[C@@H]1CCCC[C@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000728231729 571797344 /nfs/dbraw/zinc/79/73/44/571797344.db2.gz OCENGDNBMRKZAH-PQBAJORESA-N -1 3 290.407 3.366 20 30 CGEDHM Cc1cc(C(=O)/C=C\c2cccc3c2OCCO3)ccc1[O-] ZINC000728231270 571797351 /nfs/dbraw/zinc/79/73/51/571797351.db2.gz LCSSZNIZWUIJJG-YVMONPNESA-N -1 3 296.322 3.368 20 30 CGEDHM CC(N=Nc1ncccc1Cl)c1ccc([O-])c(F)c1 ZINC000728429496 571805129 /nfs/dbraw/zinc/80/51/29/571805129.db2.gz HLJNWLVUWXGHOQ-UHFFFAOYSA-N -1 3 279.702 3.416 20 30 CGEDHM COc1cccc(NN=C(C)c2ccc([O-])c(F)c2)c1 ZINC000728425593 571805253 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3.500 20 30 CGEDHM C[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])[C@H](C)O1 ZINC000864347332 629815812 /nfs/dbraw/zinc/81/58/12/629815812.db2.gz PAROPIKAWWVHFW-AABTUHMMSA-N -1 3 298.180 3.140 20 30 CGEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000806552552 630565551 /nfs/dbraw/zinc/56/55/51/630565551.db2.gz WDHYFBWZFWATDR-SVSQBPIJSA-N -1 3 251.635 3.415 20 30 CGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(CF)cc2)c1 ZINC000811184881 631040639 /nfs/dbraw/zinc/04/06/39/631040639.db2.gz DUUQEAPPVYTOTP-UHFFFAOYSA-N -1 3 285.274 3.090 20 30 CGEDHM CC(C)OCCON=C1C[C@H](C)c2c1c([O-])ccc2F ZINC000812240606 631229893 /nfs/dbraw/zinc/22/98/93/631229893.db2.gz WNJGXYMEKWBGAI-JTQLQIEISA-N -1 3 281.327 3.184 20 30 CGEDHM C=CCO[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000837047907 634848029 /nfs/dbraw/zinc/84/80/29/634848029.db2.gz HHKKQHDDYMEJOP-CYBMUJFWSA-N -1 3 277.364 3.203 20 30 CGEDHM N#CC(=C([O-])C=CC1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813218495 631389759 /nfs/dbraw/zinc/38/97/59/631389759.db2.gz 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637293260 /nfs/dbraw/zinc/29/32/60/637293260.db2.gz SJOPQFQCSGDQIE-UHFFFAOYSA-N -1 3 275.245 3.101 20 30 CGEDHM C=C(C)CO[N-]C(=O)C1(CC)CCC(F)(F)CC1 ZINC000855026922 638136157 /nfs/dbraw/zinc/13/61/57/638136157.db2.gz SZLSPWWJTVSARW-UHFFFAOYSA-N -1 3 261.312 3.216 20 30 CGEDHM C=CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@H](C)COC ZINC000855376176 638176715 /nfs/dbraw/zinc/17/67/15/638176715.db2.gz WQLDWPGDSQYPHS-CYBMUJFWSA-N -1 3 299.370 3.209 20 30 CGEDHM C=CCCO[N-]C(=O)CCC(=O)c1ccc(CCC)cc1 ZINC000856028244 638286041 /nfs/dbraw/zinc/28/60/41/638286041.db2.gz DSOJMYRLHSHBSV-UHFFFAOYSA-N -1 3 289.375 3.226 20 30 CGEDHM C=CCCO[N-]C(=O)CCCc1c[nH]c2ccccc12 ZINC000856028170 638286259 /nfs/dbraw/zinc/28/62/59/638286259.db2.gz NFGFGRDHPHVHGG-UHFFFAOYSA-N -1 3 272.348 3.115 20 30 CGEDHM C=CCCO[N-]C(=O)CCc1ccccc1Br ZINC000856030986 638287390 /nfs/dbraw/zinc/28/73/90/638287390.db2.gz ZVHDKPBUJPWEOI-UHFFFAOYSA-N -1 3 298.180 3.006 20 30 CGEDHM C=CCCO[N-]C(=O)[C@H](C)CCCc1ccccc1 ZINC000856034778 638289089 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ZINC001142118540 804696021 /nfs/dbraw/zinc/69/60/21/804696021.db2.gz PLFWYLFITUPNRB-UHFFFAOYSA-N -1 3 298.173 3.328 20 30 CGEDHM COC(=O)c1cc([O-])cc(Nc2cc(C)ccc2C#N)c1 ZINC001249903322 805292929 /nfs/dbraw/zinc/29/29/29/805292929.db2.gz ZNCZHLVGBOGEIY-UHFFFAOYSA-N -1 3 282.299 3.103 20 30 CGEDHM Cc1cc(Nc2cc(C#N)ccc2[O-])c(C)cc1CO ZINC001250062158 805398231 /nfs/dbraw/zinc/39/82/31/805398231.db2.gz VICRJIBUKXMVTG-UHFFFAOYSA-N -1 3 268.316 3.117 20 30 CGEDHM CC(C)NC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001174150820 808892319 /nfs/dbraw/zinc/89/23/19/808892319.db2.gz SFBKURVTNZJEQT-UHFFFAOYSA-N -1 3 295.342 3.146 20 30 CGEDHM Cn1ccc2ccc(Nc3cc(C#N)ccc3[O-])cc21 ZINC001174517277 809058198 /nfs/dbraw/zinc/05/81/98/809058198.db2.gz VPEXCNXVYIQJHX-UHFFFAOYSA-N -1 3 263.300 3.499 20 30 CGEDHM CC(C)(C)c1noc([N-]c2cccc3c[nH]nc32)c1C#N ZINC001175636068 809482923 /nfs/dbraw/zinc/48/29/23/809482923.db2.gz XGZSOWYXVPULHT-UHFFFAOYSA-N -1 3 281.319 3.464 20 30 CGEDHM Cc1csc(CCC(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001176182152 809641853 /nfs/dbraw/zinc/64/18/53/809641853.db2.gz FBUCPMYWWOMMJA-UHFFFAOYSA-N -1 3 286.356 3.205 20 30 CGEDHM COc1ccc(C#N)cc1Nc1ccc([O-])cc1F ZINC001176411705 809689434 /nfs/dbraw/zinc/68/94/34/809689434.db2.gz FUQUIAQQHRUWKI-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#Cc1cccc(C#N)c1Nc1ccc([O-])cc1F ZINC001176413072 809689830 /nfs/dbraw/zinc/68/98/30/809689830.db2.gz ISGWBRSURWVGMB-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM N#Cc1cccc(N)c1Nc1cc([O-])cc(Cl)c1 ZINC001176625722 809734320 /nfs/dbraw/zinc/73/43/20/809734320.db2.gz IMMXCCYTXZLYRQ-UHFFFAOYSA-N -1 3 259.696 3.243 20 30 CGEDHM Cc1ccc(NC(=O)Nc2ccc([O-])cc2C#N)cc1F ZINC001187989904 810438288 /nfs/dbraw/zinc/43/82/88/810438288.db2.gz VQCSGJQKOAHWJN-UHFFFAOYSA-N -1 3 285.278 3.355 20 30 CGEDHM Cc1ccc([O-])c(NC(=O)c2cccc(C(C)(C)C#N)c2)n1 ZINC001190911447 810655289 /nfs/dbraw/zinc/65/52/89/810655289.db2.gz AAOHKJADYXJZMH-UHFFFAOYSA-N -1 3 295.342 3.149 20 30 CGEDHM CC[C@H](CC#N)NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192340997 810787194 /nfs/dbraw/zinc/78/71/94/810787194.db2.gz URAQISYVEDDALH-GFCCVEGCSA-N -1 3 274.364 3.112 20 30 CGEDHM N#Cc1cccc(NC(=S)Nc2ccccc2[O-])c1 ZINC001197715021 811448640 /nfs/dbraw/zinc/44/86/40/811448640.db2.gz UVCHDRGJMVRRDW-UHFFFAOYSA-N -1 3 269.329 3.073 20 30 CGEDHM COc1ccc(C#N)cc1Nc1c([O-])cccc1F ZINC001201583971 811913332 /nfs/dbraw/zinc/91/33/32/811913332.db2.gz HJFUTTUVIDWBAR-UHFFFAOYSA-N -1 3 258.252 3.155 20 30 CGEDHM N#CCc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC001205850141 813107243 /nfs/dbraw/zinc/10/72/43/813107243.db2.gz XVFNDUVBYPFXLG-UHFFFAOYSA-N -1 3 274.270 3.349 20 30 CGEDHM C=CCn1ccc2c1ncnc2-c1ccc([O-])cc1F ZINC001206029588 813171326 /nfs/dbraw/zinc/17/13/26/813171326.db2.gz DVCIUSKHSBBZSF-UHFFFAOYSA-N -1 3 269.279 3.129 20 30 CGEDHM N#Cc1ncc(Cl)cc1Nc1cccc(F)c1[O-] ZINC001210197453 814334631 /nfs/dbraw/zinc/33/46/31/814334631.db2.gz ZBQGTCRNAVTQEI-UHFFFAOYSA-N -1 3 263.659 3.195 20 30 CGEDHM N#Cc1ccc(Nc2cccc(F)c2[O-])c(C#N)c1 ZINC001210203472 814338624 /nfs/dbraw/zinc/33/86/24/814338624.db2.gz FVUMNKHQMQAKEC-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM N#Cc1c(F)ccc(F)c1Nc1cccc(F)c1[O-] ZINC001210204610 814340041 /nfs/dbraw/zinc/34/00/41/814340041.db2.gz QKKPOZRSEXSSPD-UHFFFAOYSA-N -1 3 264.206 3.425 20 30 CGEDHM Cc1cc(Nc2cccc(Cl)c2[O-])cnc1C#N ZINC001210204354 814340247 /nfs/dbraw/zinc/34/02/47/814340247.db2.gz VKKHXIDGYIWTBS-UHFFFAOYSA-N -1 3 259.696 3.364 20 30 CGEDHM COC(=O)c1ccc([O-])cc1Nc1ccc(C#N)cc1C ZINC001210378579 814432468 /nfs/dbraw/zinc/43/24/68/814432468.db2.gz KJKIMIBOIIXOSB-UHFFFAOYSA-N -1 3 282.299 3.103 20 30 CGEDHM COc1ncc(Cl)cc1Nc1cc(C#N)ccc1[O-] ZINC001210452655 814464805 /nfs/dbraw/zinc/46/48/05/814464805.db2.gz USQPLHQTLWYPPL-UHFFFAOYSA-N -1 3 275.695 3.064 20 30 CGEDHM N#Cc1cc(Nc2c(F)cccc2C#N)ccc1[O-] ZINC001210529347 814510999 /nfs/dbraw/zinc/51/09/99/814510999.db2.gz HARGVPHXEXXSII-UHFFFAOYSA-N -1 3 253.236 3.018 20 30 CGEDHM COc1cccc(C(C)=O)c1Nc1ccc([O-])c(C#N)c1 ZINC001210533289 814512941 /nfs/dbraw/zinc/51/29/41/814512941.db2.gz OTWGYQPGXDBWSM-UHFFFAOYSA-N -1 3 282.299 3.219 20 30 CGEDHM N#Cc1ccc([O-])c(Nc2cncc(N3CCCC3)c2)c1 ZINC001210610227 814554547 /nfs/dbraw/zinc/55/45/47/814554547.db2.gz ZCOFTNCIWDCVPG-UHFFFAOYSA-N -1 3 280.331 3.003 20 30 CGEDHM C[C@@H](O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001210647583 814570575 /nfs/dbraw/zinc/57/05/75/814570575.db2.gz KLUOVHUJGWIBEN-SNVBAGLBSA-N -1 3 254.289 3.061 20 30 CGEDHM C[C@H]1CC(=O)C=C(Nc2cccc(Cl)c2[O-])C1 ZINC001210775944 814621849 /nfs/dbraw/zinc/62/18/49/814621849.db2.gz OBYCYMJKDIPEJW-MRVPVSSYSA-N -1 3 251.713 3.340 20 30 CGEDHM N#Cc1cc(-c2cc([O-])cc(C(F)(F)F)c2)ccn1 ZINC001242782584 823131481 /nfs/dbraw/zinc/13/14/81/823131481.db2.gz SVKAWPWHZQGBDU-UHFFFAOYSA-N -1 3 264.206 3.345 20 30 CGEDHM CC(=O)Nc1ccc(Nc2cc(C)c(F)c([O-])c2)cc1C#N ZINC001216082309 815685835 /nfs/dbraw/zinc/68/58/35/815685835.db2.gz NSWOVVSOIGXTRC-UHFFFAOYSA-N -1 3 299.305 3.413 20 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RAMHIUASYDHSCN-QWHCGFSZSA-N -1 3 260.337 3.170 20 30 CGEDHM C=CC[C@H](CCCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694629 817697014 /nfs/dbraw/zinc/69/70/14/817697014.db2.gz HBCWMYVTDGSRQB-SNVBAGLBSA-N -1 3 290.323 3.380 20 30 CGEDHM C#C[C@@H](CC(C)C)Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1 ZINC001228676270 817969310 /nfs/dbraw/zinc/96/93/10/817969310.db2.gz YDCYKOOVFFRARM-NSHDSACASA-N -1 3 287.319 3.206 20 30 CGEDHM C#C[C@@H](CC(C)C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676270 817969313 /nfs/dbraw/zinc/96/93/13/817969313.db2.gz YDCYKOOVFFRARM-NSHDSACASA-N -1 3 287.319 3.206 20 30 CGEDHM N#Cc1ccc([O-])c(CN2CCSc3ccccc3C2)c1 ZINC001232678110 818417943 /nfs/dbraw/zinc/41/79/43/818417943.db2.gz PWJGEKOCMSEYLF-UHFFFAOYSA-N -1 3 296.395 3.372 20 30 CGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCCC[C@H]1C ZINC001233800363 818707568 /nfs/dbraw/zinc/70/75/68/818707568.db2.gz PAXNUQSJWFUKJD-GAXBVXIKSA-N -1 3 263.337 3.461 20 30 CGEDHM CCC[C@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233800008 818707600 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